NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451342 |
2roh   |
11038 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2roh
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 1349
_Distance_constraint_stats_list.Viol_count 1455
_Distance_constraint_stats_list.Viol_total 1728.455
_Distance_constraint_stats_list.Viol_max 0.680
_Distance_constraint_stats_list.Viol_rms 0.0216
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0594
_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 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.779 0.529 6 1 "[ .+ 1 . 2]"
1 19 ARG 0.779 0.529 6 1 "[ .+ 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PHE 0.026 0.021 11 0 "[ . 1 . 2]"
1 26 GLY 0.760 0.483 18 0 "[ . 1 . 2]"
1 27 GLN 0.760 0.483 18 0 "[ . 1 . 2]"
1 28 ARG 0.010 0.009 20 0 "[ . 1 . 2]"
1 29 ARG 0.003 0.003 3 0 "[ . 1 . 2]"
1 30 ILE 0.767 0.344 10 0 "[ . 1 . 2]"
1 31 ARG 1.299 0.160 12 0 "[ . 1 . 2]"
1 32 ARG 0.674 0.160 12 0 "[ . 1 . 2]"
1 33 PRO 0.264 0.071 2 0 "[ . 1 . 2]"
1 34 PHE 3.348 0.181 13 0 "[ . 1 . 2]"
1 35 THR 2.808 0.150 8 0 "[ . 1 . 2]"
1 36 VAL 1.218 0.361 12 0 "[ . 1 . 2]"
1 37 ALA 1.016 0.361 12 0 "[ . 1 . 2]"
1 38 GLU 0.292 0.150 8 0 "[ . 1 . 2]"
1 39 VAL 1.978 0.181 13 0 "[ . 1 . 2]"
1 40 GLU 2.841 0.325 13 0 "[ . 1 . 2]"
1 41 LEU 1.920 0.285 19 0 "[ . 1 . 2]"
1 42 LEU 2.129 0.223 3 0 "[ . 1 . 2]"
1 43 VAL 2.147 0.261 5 0 "[ . 1 . 2]"
1 44 GLU 1.055 0.261 5 0 "[ . 1 . 2]"
1 45 ALA 8.184 0.680 20 5 "[- . ** .* +]"
1 46 VAL 9.240 0.373 9 0 "[ . 1 . 2]"
1 47 GLU 1.196 0.213 19 0 "[ . 1 . 2]"
1 48 HIS 1.571 0.153 16 0 "[ . 1 . 2]"
1 49 LEU 3.886 0.337 14 0 "[ . 1 . 2]"
1 50 GLY 0.779 0.105 14 0 "[ . 1 . 2]"
1 51 THR 0.273 0.048 14 0 "[ . 1 . 2]"
1 52 GLY 0.027 0.013 8 0 "[ . 1 . 2]"
1 53 ARG 0.210 0.041 7 0 "[ . 1 . 2]"
1 54 TRP 0.573 0.109 14 0 "[ . 1 . 2]"
1 55 ARG 0.763 0.142 20 0 "[ . 1 . 2]"
1 56 ASP 0.550 0.096 8 0 "[ . 1 . 2]"
1 57 VAL 14.155 0.680 20 5 "[- . ** .* +]"
1 58 LYS 0.456 0.220 14 0 "[ . 1 . 2]"
1 59 PHE 2.281 0.220 14 0 "[ . 1 . 2]"
1 60 ARG 0.528 0.171 13 0 "[ . 1 . 2]"
1 61 ALA 2.897 0.220 14 0 "[ . 1 . 2]"
1 62 PHE 4.072 0.275 20 0 "[ . 1 . 2]"
1 63 GLU 3.419 0.220 17 0 "[ . 1 . 2]"
1 64 ASN 0.746 0.178 19 0 "[ . 1 . 2]"
1 65 VAL 2.528 0.285 19 0 "[ . 1 . 2]"
1 67 HIS 0.346 0.157 18 0 "[ . 1 . 2]"
1 68 ARG 0.020 0.020 5 0 "[ . 1 . 2]"
1 69 THR 1.714 0.372 19 0 "[ . 1 . 2]"
1 70 TYR 1.938 0.372 19 0 "[ . 1 . 2]"
1 71 VAL 1.409 0.164 13 0 "[ . 1 . 2]"
1 72 ASP 1.422 0.148 17 0 "[ . 1 . 2]"
1 73 LEU 3.630 0.158 6 0 "[ . 1 . 2]"
1 74 LYS 3.804 0.178 15 0 "[ . 1 . 2]"
1 75 ASP 0.429 0.110 15 0 "[ . 1 . 2]"
1 76 LYS 0.124 0.036 17 0 "[ . 1 . 2]"
1 77 TRP 1.091 0.136 8 0 "[ . 1 . 2]"
1 78 LYS 1.767 0.108 18 0 "[ . 1 . 2]"
1 79 THR 2.694 0.110 6 0 "[ . 1 . 2]"
1 80 LEU 4.674 0.150 8 0 "[ . 1 . 2]"
1 81 VAL 7.219 0.285 4 0 "[ . 1 . 2]"
1 82 HIS 1.454 0.110 6 0 "[ . 1 . 2]"
1 83 THR 2.548 0.115 6 0 "[ . 1 . 2]"
1 84 ALA 4.538 0.255 8 0 "[ . 1 . 2]"
1 85 SER 2.283 0.189 4 0 "[ . 1 . 2]"
1 86 ILE 4.359 0.529 7 1 "[ . + 1 . 2]"
1 87 ALA 1.050 0.529 7 1 "[ . + 1 . 2]"
1 88 PRO 0.258 0.094 20 0 "[ . 1 . 2]"
1 89 GLN 0.157 0.076 11 0 "[ . 1 . 2]"
1 90 GLN 0.184 0.054 13 0 "[ . 1 . 2]"
1 91 ARG 0.410 0.094 20 0 "[ . 1 . 2]"
1 92 ARG 0.049 0.016 1 0 "[ . 1 . 2]"
1 93 GLY 0.076 0.038 11 0 "[ . 1 . 2]"
1 94 ALA 0.076 0.038 11 0 "[ . 1 . 2]"
1 95 PRO 0.033 0.033 13 0 "[ . 1 . 2]"
1 96 VAL 0.611 0.159 13 0 "[ . 1 . 2]"
1 97 PRO 0.365 0.056 16 0 "[ . 1 . 2]"
1 98 GLN 0.378 0.072 15 0 "[ . 1 . 2]"
1 99 GLU 0.265 0.106 13 0 "[ . 1 . 2]"
1 100 LEU 2.978 0.190 10 0 "[ . 1 . 2]"
1 101 LEU 2.729 0.125 11 0 "[ . 1 . 2]"
1 102 ASP 0.768 0.201 4 0 "[ . 1 . 2]"
1 103 ARG 0.127 0.033 13 0 "[ . 1 . 2]"
1 104 VAL 3.884 0.285 4 0 "[ . 1 . 2]"
1 105 LEU 3.083 0.201 4 0 "[ . 1 . 2]"
1 106 ALA 0.014 0.008 7 0 "[ . 1 . 2]"
1 107 ALA 0.083 0.017 12 0 "[ . 1 . 2]"
1 108 GLN 0.681 0.068 6 0 "[ . 1 . 2]"
1 109 ALA 0.686 0.128 15 0 "[ . 1 . 2]"
1 110 TYR 0.171 0.036 16 0 "[ . 1 . 2]"
1 111 TRP 1.343 0.249 6 0 "[ . 1 . 2]"
1 112 SER 1.363 0.489 1 0 "[ . 1 . 2]"
1 113 VAL 3.459 0.566 11 1 "[ . 1+ . 2]"
1 114 ASP 2.782 0.566 11 1 "[ . 1+ . 2]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 GLY 0.159 0.114 5 0 "[ . 1 . 2]"
1 118 ARG 0.318 0.195 5 0 "[ . 1 . 2]"
1 119 ILE 1.128 0.378 9 0 "[ . 1 . 2]"
1 120 VAL 0.854 0.294 5 0 "[ . 1 . 2]"
1 121 THR 0.273 0.160 5 0 "[ . 1 . 2]"
1 122 LEU 0.001 0.001 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 94 ALA HA 1 95 PRO QG . . 4.150 4.069 4.062 4.079 . 0 0 "[ . 1 . 2]" 1
2 1 94 ALA HA 1 95 PRO HD2 . . 2.990 2.504 2.494 2.520 . 0 0 "[ . 1 . 2]" 1
3 1 94 ALA HA 1 95 PRO HD3 . . 2.990 2.345 2.340 2.354 . 0 0 "[ . 1 . 2]" 1
4 1 94 ALA MB 1 95 PRO HD2 . . 3.190 2.040 1.946 2.105 . 0 0 "[ . 1 . 2]" 1
5 1 94 ALA MB 1 95 PRO HD3 . . 3.190 3.146 3.097 3.168 . 0 0 "[ . 1 . 2]" 1
6 1 94 ALA MB 1 95 PRO QG . . 3.820 3.455 3.380 3.503 . 0 0 "[ . 1 . 2]" 1
7 1 86 ILE MG 1 87 ALA HA . . 5.500 5.512 5.486 5.530 0.030 11 0 "[ . 1 . 2]" 1
8 1 87 ALA HA 1 88 PRO QD . . 3.210 2.148 2.122 2.154 . 0 0 "[ . 1 . 2]" 1
9 1 87 ALA MB 1 88 PRO QG . . 3.760 3.459 3.382 3.539 . 0 0 "[ . 1 . 2]" 1
10 1 87 ALA MB 1 88 PRO QD . . 3.290 2.004 1.929 2.065 . 0 0 "[ . 1 . 2]" 1
11 1 86 ILE MG 1 87 ALA MB . . 4.920 4.583 4.209 4.886 . 0 0 "[ . 1 . 2]" 1
12 1 87 ALA MB 1 90 GLN HG2 . . 3.920 3.018 2.000 3.832 . 0 0 "[ . 1 . 2]" 1
13 1 99 GLU HB3 1 100 LEU H . . 4.610 3.948 3.876 4.097 . 0 0 "[ . 1 . 2]" 1
14 1 71 VAL HB 1 72 ASP H . . 4.120 3.988 3.941 4.034 . 0 0 "[ . 1 . 2]" 1
15 1 65 VAL HA 1 65 VAL MG2 . . 3.650 2.660 1.964 3.203 . 0 0 "[ . 1 . 2]" 1
16 1 32 ARG HA 1 32 ARG QG . . 3.410 2.308 2.098 2.703 . 0 0 "[ . 1 . 2]" 1
17 1 32 ARG HA 1 33 PRO QG . . 4.250 4.038 3.858 4.074 . 0 0 "[ . 1 . 2]" 1
18 1 32 ARG HA 1 33 PRO HD3 . . 3.220 2.331 2.252 2.349 . 0 0 "[ . 1 . 2]" 1
19 1 32 ARG HA 1 33 PRO HD2 . . 3.220 2.452 2.151 2.512 . 0 0 "[ . 1 . 2]" 1
20 1 31 ARG HA 1 32 ARG HA . . 4.670 4.480 4.324 4.699 0.029 8 0 "[ . 1 . 2]" 1
21 1 98 GLN HA 1 101 LEU H . . 4.070 3.267 3.085 3.375 . 0 0 "[ . 1 . 2]" 1
22 1 98 GLN HA 1 100 LEU H . . 4.210 4.001 3.671 4.238 0.028 14 0 "[ . 1 . 2]" 1
23 1 98 GLN HA 1 98 GLN HG3 . . 4.110 3.380 2.246 3.900 . 0 0 "[ . 1 . 2]" 1
24 1 98 GLN HA 1 102 ASP H . . 4.460 4.375 4.087 4.532 0.072 15 0 "[ . 1 . 2]" 1
25 1 98 GLN HA 1 101 LEU MD1 . . 4.480 4.329 4.212 4.505 0.025 4 0 "[ . 1 . 2]" 1
26 1 96 VAL MG2 1 98 GLN HA . . 4.940 4.706 4.392 4.950 0.010 16 0 "[ . 1 . 2]" 1
27 1 98 GLN HA 1 101 LEU MD2 . . 4.480 1.886 1.872 1.921 . 0 0 "[ . 1 . 2]" 1
28 1 98 GLN HA 1 101 LEU HG . . 4.510 4.394 4.238 4.538 0.028 3 0 "[ . 1 . 2]" 1
29 1 98 GLN HA 1 101 LEU HB2 . . 3.940 3.111 2.668 3.376 . 0 0 "[ . 1 . 2]" 1
30 1 98 GLN HA 1 99 GLU HA . . 5.010 4.866 4.830 4.895 . 0 0 "[ . 1 . 2]" 1
31 1 98 GLN HA 1 98 GLN HG2 . . 4.110 3.202 2.288 4.033 . 0 0 "[ . 1 . 2]" 1
32 1 36 VAL HA 1 36 VAL MG1 . . 3.220 3.148 2.205 3.201 . 0 0 "[ . 1 . 2]" 1
33 1 35 THR MG 1 36 VAL HA . . 4.680 4.343 4.132 4.716 0.036 4 0 "[ . 1 . 2]" 1
34 1 36 VAL HA 1 39 VAL HB . . 3.760 3.019 2.784 3.651 . 0 0 "[ . 1 . 2]" 1
35 1 36 VAL HA 1 37 ALA HA . . 4.890 4.751 4.705 4.797 . 0 0 "[ . 1 . 2]" 1
36 1 36 VAL HB 1 37 ALA H . . 4.260 3.894 2.363 4.020 . 0 0 "[ . 1 . 2]" 1
37 1 35 THR HA 1 36 VAL HB . . 5.350 4.744 4.635 5.118 . 0 0 "[ . 1 . 2]" 1
38 1 47 GLU HA 1 111 TRP HD1 . . 4.530 3.900 3.261 4.704 0.174 15 0 "[ . 1 . 2]" 1
39 1 47 GLU HB3 1 48 HIS H . . 4.870 2.809 2.410 3.783 . 0 0 "[ . 1 . 2]" 1
40 1 39 VAL HA 1 42 LEU HB3 . . 4.470 2.499 2.229 2.851 . 0 0 "[ . 1 . 2]" 1
41 1 39 VAL HA 1 42 LEU HB2 . . 4.470 3.760 3.166 4.096 . 0 0 "[ . 1 . 2]" 1
42 1 34 PHE HD2 1 39 VAL HA . . 5.500 5.190 3.145 5.556 0.056 12 0 "[ . 1 . 2]" 1
43 1 39 VAL HA 1 42 LEU H . . 4.320 3.533 3.346 3.712 . 0 0 "[ . 1 . 2]" 1
44 1 102 ASP HB2 1 103 ARG H . . 4.410 3.835 3.712 4.015 . 0 0 "[ . 1 . 2]" 1
45 1 102 ASP HB3 1 103 ARG H . . 4.370 2.676 2.484 2.806 . 0 0 "[ . 1 . 2]" 1
46 1 99 GLU HA 1 102 ASP HB2 . . 4.330 3.130 2.902 3.437 . 0 0 "[ . 1 . 2]" 1
47 1 99 GLU HA 1 102 ASP HB3 . . 4.300 2.603 2.361 2.943 . 0 0 "[ . 1 . 2]" 1
48 1 101 LEU HB2 1 102 ASP HB2 . . 4.670 4.329 4.156 4.479 . 0 0 "[ . 1 . 2]" 1
49 1 101 LEU HB2 1 102 ASP HB3 . . 5.500 5.274 5.039 5.407 . 0 0 "[ . 1 . 2]" 1
50 1 108 GLN HB3 1 109 ALA HA . . 5.130 4.124 3.973 4.293 . 0 0 "[ . 1 . 2]" 1
51 1 96 VAL HA 1 97 PRO HD2 . . 3.400 2.429 2.313 2.470 . 0 0 "[ . 1 . 2]" 1
52 1 108 GLN HA 1 111 TRP HB2 . . 4.150 3.495 3.017 4.054 . 0 0 "[ . 1 . 2]" 1
53 1 96 VAL HA 1 97 PRO HD3 . . 3.210 2.311 2.272 2.329 . 0 0 "[ . 1 . 2]" 1
54 1 107 ALA HA 1 108 GLN HA . . 5.280 4.838 4.808 4.856 . 0 0 "[ . 1 . 2]" 1
55 1 108 GLN HA 1 109 ALA HA . . 5.500 4.729 4.702 4.758 . 0 0 "[ . 1 . 2]" 1
56 1 107 ALA MB 1 108 GLN HA . . 4.150 3.779 3.651 3.840 . 0 0 "[ . 1 . 2]" 1
57 1 89 GLN HA 1 89 GLN HG3 . . 4.050 3.737 3.467 3.949 . 0 0 "[ . 1 . 2]" 1
58 1 79 THR MG 1 82 HIS HB3 . . 5.080 3.909 3.732 4.121 . 0 0 "[ . 1 . 2]" 1
59 1 79 THR MG 1 82 HIS HB2 . . 5.080 4.814 4.535 5.072 . 0 0 "[ . 1 . 2]" 1
60 1 79 THR HA 1 82 HIS HB3 . . 4.280 3.345 3.066 3.672 . 0 0 "[ . 1 . 2]" 1
61 1 79 THR HA 1 82 HIS HB2 . . 4.280 3.631 3.302 3.959 . 0 0 "[ . 1 . 2]" 1
62 1 45 ALA HA 1 48 HIS HB3 . . 4.930 3.433 3.214 4.129 . 0 0 "[ . 1 . 2]" 1
63 1 48 HIS HB2 1 49 LEU HG . . 4.610 4.411 3.669 4.572 . 0 0 "[ . 1 . 2]" 1
64 1 48 HIS HB3 1 49 LEU H . . 4.230 2.848 2.591 3.268 . 0 0 "[ . 1 . 2]" 1
65 1 48 HIS HB2 1 49 LEU H . . 4.190 3.882 3.362 4.002 . 0 0 "[ . 1 . 2]" 1
66 1 62 PHE QB 1 65 VAL HB . . 4.880 3.463 1.879 4.944 0.064 17 0 "[ . 1 . 2]" 1
67 1 45 ALA MB 1 62 PHE QB . . 5.500 5.573 5.437 5.775 0.275 20 0 "[ . 1 . 2]" 1
68 1 25 PHE H 1 25 PHE HB2 . . 4.100 3.165 2.411 3.982 . 0 0 "[ . 1 . 2]" 1
69 1 59 PHE HA 1 63 GLU HB2 . . 4.770 3.300 1.983 4.423 . 0 0 "[ . 1 . 2]" 1
70 1 59 PHE HA 1 59 PHE QD . . 3.980 2.677 2.011 3.075 . 0 0 "[ . 1 . 2]" 1
71 1 59 PHE HA 1 62 PHE H . . 4.590 4.230 3.807 4.724 0.134 14 0 "[ . 1 . 2]" 1
72 1 56 ASP HA 1 59 PHE QB . . 3.680 3.003 2.340 3.550 . 0 0 "[ . 1 . 2]" 1
73 1 69 THR HB 1 72 ASP HA . . 4.660 4.392 3.877 4.701 0.041 9 0 "[ . 1 . 2]" 1
74 1 72 ASP HA 1 75 ASP HB3 . . 3.730 3.105 2.723 3.840 0.110 15 0 "[ . 1 . 2]" 1
75 1 72 ASP HA 1 75 ASP HB2 . . 3.730 3.527 2.367 3.779 0.049 4 0 "[ . 1 . 2]" 1
76 1 100 LEU HA 1 100 LEU HG . . 3.710 3.272 2.553 3.676 . 0 0 "[ . 1 . 2]" 1
77 1 100 LEU HA 1 100 LEU MD2 . . 3.930 2.735 2.026 3.792 . 0 0 "[ . 1 . 2]" 1
78 1 75 ASP H 1 75 ASP HB3 . . 3.650 2.867 2.645 3.541 . 0 0 "[ . 1 . 2]" 1
79 1 75 ASP HB2 1 76 LYS H . . 4.510 3.615 2.795 3.831 . 0 0 "[ . 1 . 2]" 1
80 1 75 ASP HB3 1 76 LYS H . . 4.510 2.789 2.654 3.476 . 0 0 "[ . 1 . 2]" 1
81 1 71 VAL MG2 1 75 ASP HB2 . . 5.000 2.758 2.390 3.347 . 0 0 "[ . 1 . 2]" 1
82 1 71 VAL MG2 1 75 ASP HB3 . . 5.000 3.921 3.602 4.606 . 0 0 "[ . 1 . 2]" 1
83 1 78 LYS HB3 1 79 THR H . . 4.200 2.548 2.462 2.657 . 0 0 "[ . 1 . 2]" 1
84 1 78 LYS HA 1 81 VAL H . . 4.330 3.615 3.540 3.752 . 0 0 "[ . 1 . 2]" 1
85 1 78 LYS HA 1 81 VAL MG2 . . 4.570 2.931 2.505 3.698 . 0 0 "[ . 1 . 2]" 1
86 1 41 LEU MD2 1 61 ALA HA . . 4.900 4.402 3.924 4.893 . 0 0 "[ . 1 . 2]" 1
87 1 45 ALA MB 1 61 ALA HA . . 4.330 2.489 1.866 3.507 . 0 0 "[ . 1 . 2]" 1
88 1 60 ARG QG 1 61 ALA HA . . 4.580 3.827 3.395 4.423 . 0 0 "[ . 1 . 2]" 1
89 1 61 ALA HA 1 62 PHE HA . . 5.000 4.699 4.558 4.773 . 0 0 "[ . 1 . 2]" 1
90 1 45 ALA MB 1 61 ALA MB . . 3.280 1.869 1.804 1.948 . 0 0 "[ . 1 . 2]" 1
91 1 60 ARG QG 1 61 ALA MB . . 4.550 4.450 4.075 4.721 0.171 13 0 "[ . 1 . 2]" 1
92 1 58 LYS HA 1 61 ALA MB . . 4.040 2.907 2.180 3.369 . 0 0 "[ . 1 . 2]" 1
93 1 61 ALA MB 1 62 PHE HA . . 4.450 4.149 4.053 4.246 . 0 0 "[ . 1 . 2]" 1
94 1 61 ALA MB 1 63 GLU H . . 5.150 4.614 3.087 5.204 0.054 15 0 "[ . 1 . 2]" 1
95 1 47 GLU HA 1 48 HIS HA . . 4.880 4.822 4.748 4.873 . 0 0 "[ . 1 . 2]" 1
96 1 111 TRP HB2 1 112 SER QB . . 4.660 4.505 4.264 4.909 0.249 6 0 "[ . 1 . 2]" 1
97 1 109 ALA MB 1 112 SER QB . . 4.330 3.574 3.288 4.446 0.116 6 0 "[ . 1 . 2]" 1
98 1 25 PHE HA 1 25 PHE HD1 . . 4.020 3.031 2.072 4.041 0.021 11 0 "[ . 1 . 2]" 1
99 1 59 PHE QB 1 61 ALA MB . . 5.500 5.522 5.257 5.720 0.220 14 0 "[ . 1 . 2]" 1
100 1 37 ALA HA 1 40 GLU HB2 . . 4.130 2.803 2.242 4.163 0.033 10 0 "[ . 1 . 2]" 1
101 1 37 ALA HA 1 41 LEU MD2 . . 5.500 5.054 4.673 5.395 . 0 0 "[ . 1 . 2]" 1
102 1 37 ALA HA 1 41 LEU HG . . 4.410 4.026 3.647 4.271 . 0 0 "[ . 1 . 2]" 1
103 1 105 LEU H 1 106 ALA HA . . 5.320 5.265 5.195 5.309 . 0 0 "[ . 1 . 2]" 1
104 1 106 ALA HA 1 108 GLN H . . 4.640 4.515 4.337 4.628 . 0 0 "[ . 1 . 2]" 1
105 1 46 VAL MG1 1 107 ALA MB . . 5.200 4.824 4.317 5.153 . 0 0 "[ . 1 . 2]" 1
106 1 108 GLN HB3 1 109 ALA MB . . 3.670 3.634 3.568 3.682 0.012 14 0 "[ . 1 . 2]" 1
107 1 107 ALA MB 1 108 GLN HB2 . . 4.300 4.104 4.029 4.186 . 0 0 "[ . 1 . 2]" 1
108 1 104 VAL HA 1 107 ALA MB . . 4.260 2.889 2.666 3.055 . 0 0 "[ . 1 . 2]" 1
109 1 36 VAL HA 1 37 ALA MB . . 5.130 5.014 5.000 5.030 . 0 0 "[ . 1 . 2]" 1
110 1 37 ALA MB 1 41 LEU HG . . 4.580 4.011 3.448 4.341 . 0 0 "[ . 1 . 2]" 1
111 1 36 VAL MG1 1 37 ALA MB . . 4.270 2.906 2.729 3.995 . 0 0 "[ . 1 . 2]" 1
112 1 36 VAL MG2 1 37 ALA MB . . 4.270 4.117 3.851 4.628 0.358 12 0 "[ . 1 . 2]" 1
113 1 109 ALA MB 1 110 TYR HD1 . . 4.900 3.947 2.678 4.924 0.024 16 0 "[ . 1 . 2]" 1
114 1 105 LEU H 1 106 ALA MB . . 4.430 4.280 4.243 4.332 . 0 0 "[ . 1 . 2]" 1
115 1 107 ALA MB 1 108 GLN H . . 3.850 2.578 2.463 2.677 . 0 0 "[ . 1 . 2]" 1
116 1 36 VAL H 1 37 ALA MB . . 4.680 4.451 4.359 4.499 . 0 0 "[ . 1 . 2]" 1
117 1 109 ALA MB 1 110 TYR H . . 3.310 2.711 2.442 2.877 . 0 0 "[ . 1 . 2]" 1
118 1 46 VAL MG1 1 57 VAL HA . . 5.500 5.667 5.527 5.873 0.373 9 0 "[ . 1 . 2]" 1
119 1 46 VAL HA 1 57 VAL HA . . 4.910 3.954 3.663 4.300 . 0 0 "[ . 1 . 2]" 1
120 1 45 ALA HA 1 57 VAL HA . . 5.370 3.929 3.328 4.508 . 0 0 "[ . 1 . 2]" 1
121 1 96 VAL HB 1 97 PRO HD2 . . 4.700 1.988 1.967 2.211 . 0 0 "[ . 1 . 2]" 1
122 1 96 VAL HB 1 97 PRO HD3 . . 5.030 3.440 3.420 3.632 . 0 0 "[ . 1 . 2]" 1
123 1 96 VAL HB 1 97 PRO HG3 . . 4.910 4.606 4.573 4.824 . 0 0 "[ . 1 . 2]" 1
124 1 96 VAL HB 1 101 LEU MD2 . . 4.670 3.567 2.725 4.109 . 0 0 "[ . 1 . 2]" 1
125 1 96 VAL HB 1 100 LEU H . . 5.500 4.985 4.452 5.659 0.159 13 0 "[ . 1 . 2]" 1
126 1 40 GLU HA 1 44 GLU H . . 4.370 4.038 3.825 4.351 . 0 0 "[ . 1 . 2]" 1
127 1 40 GLU HA 1 43 VAL H . . 4.390 3.961 3.752 4.247 . 0 0 "[ . 1 . 2]" 1
128 1 40 GLU HA 1 41 LEU HG . . 5.500 5.303 5.096 5.490 . 0 0 "[ . 1 . 2]" 1
129 1 40 GLU HA 1 103 ARG QG . . 5.500 5.202 4.611 5.533 0.033 13 0 "[ . 1 . 2]" 1
130 1 37 ALA HA 1 40 GLU HA . . 5.440 5.353 5.107 5.470 0.030 16 0 "[ . 1 . 2]" 1
131 1 37 ALA HA 1 40 GLU HB3 . . 4.130 3.680 2.212 4.106 . 0 0 "[ . 1 . 2]" 1
132 1 40 GLU HB3 1 41 LEU H . . 4.080 3.091 2.784 3.482 . 0 0 "[ . 1 . 2]" 1
133 1 40 GLU HB2 1 41 LEU HG . . 4.690 3.819 3.272 4.869 0.179 10 0 "[ . 1 . 2]" 1
134 1 40 GLU HB3 1 41 LEU HG . . 4.690 3.780 3.351 4.382 . 0 0 "[ . 1 . 2]" 1
135 1 40 GLU HA 1 40 GLU HG2 . . 3.790 2.774 2.124 3.755 . 0 0 "[ . 1 . 2]" 1
136 1 84 ALA HA 1 86 ILE H . . 4.810 4.470 4.083 4.582 . 0 0 "[ . 1 . 2]" 1
137 1 84 ALA HA 1 85 SER HA . . 4.870 4.577 4.523 4.594 . 0 0 "[ . 1 . 2]" 1
138 1 83 THR MG 1 84 ALA HA . . 3.920 3.722 3.539 3.883 . 0 0 "[ . 1 . 2]" 1
139 1 84 ALA HA 1 101 LEU HG . . 4.360 3.072 3.009 3.112 . 0 0 "[ . 1 . 2]" 1
140 1 84 ALA HA 1 101 LEU HB2 . . 5.280 5.203 4.830 5.335 0.055 7 0 "[ . 1 . 2]" 1
141 1 84 ALA HA 1 101 LEU MD2 . . 4.450 4.539 4.493 4.575 0.125 11 0 "[ . 1 . 2]" 1
142 1 81 VAL HA 1 84 ALA MB . . 3.860 2.639 2.460 2.798 . 0 0 "[ . 1 . 2]" 1
143 1 84 ALA MB 1 105 LEU HG . . 2.920 2.854 2.661 3.005 0.085 4 0 "[ . 1 . 2]" 1
144 1 84 ALA MB 1 105 LEU H . . 4.460 4.463 4.209 4.533 0.073 7 0 "[ . 1 . 2]" 1
145 1 59 PHE HA 1 63 GLU HB3 . . 4.770 3.349 1.920 4.813 0.043 3 0 "[ . 1 . 2]" 1
146 1 59 PHE HA 1 63 GLU HA . . 4.230 3.701 3.228 4.148 . 0 0 "[ . 1 . 2]" 1
147 1 63 GLU HA 1 64 ASN HA . . 4.780 4.508 4.331 4.806 0.026 7 0 "[ . 1 . 2]" 1
148 1 59 PHE QB 1 63 GLU HA . . 5.500 5.389 4.827 5.635 0.135 17 0 "[ . 1 . 2]" 1
149 1 59 PHE QB 1 60 ARG HA . . 4.370 4.117 3.753 4.423 0.053 17 0 "[ . 1 . 2]" 1
150 1 60 ARG HA 1 60 ARG QG . . 3.960 2.714 2.267 3.080 . 0 0 "[ . 1 . 2]" 1
151 1 54 TRP HA 1 57 VAL HB . . 5.020 4.233 2.789 5.105 0.085 3 0 "[ . 1 . 2]" 1
152 1 45 ALA MB 1 58 LYS HA . . 4.730 4.233 3.753 4.950 0.220 14 0 "[ . 1 . 2]" 1
153 1 109 ALA HA 1 112 SER QB . . 3.760 2.305 1.980 3.764 0.004 6 0 "[ . 1 . 2]" 1
154 1 109 ALA HA 1 112 SER HA . . 5.040 4.766 2.967 5.040 . 0 0 "[ . 1 . 2]" 1
155 1 110 TYR HA 1 111 TRP HA . . 4.750 4.689 4.609 4.749 . 0 0 "[ . 1 . 2]" 1
156 1 109 ALA MB 1 110 TYR HA . . 4.500 3.746 3.659 3.817 . 0 0 "[ . 1 . 2]" 1
157 1 110 TYR HA 1 110 TYR HD1 . . 3.860 2.422 1.989 2.940 . 0 0 "[ . 1 . 2]" 1
158 1 110 TYR HA 1 112 SER H . . 4.730 4.019 3.716 4.347 . 0 0 "[ . 1 . 2]" 1
159 1 105 LEU HA 1 108 GLN HB3 . . 4.040 2.969 2.699 3.249 . 0 0 "[ . 1 . 2]" 1
160 1 105 LEU HA 1 108 GLN HB2 . . 4.030 3.146 2.922 3.396 . 0 0 "[ . 1 . 2]" 1
161 1 105 LEU HA 1 105 LEU MD2 . . 3.960 2.045 1.968 2.233 . 0 0 "[ . 1 . 2]" 1
162 1 105 LEU HA 1 105 LEU MD1 . . 3.960 3.591 2.068 3.879 . 0 0 "[ . 1 . 2]" 1
163 1 104 VAL HA 1 105 LEU HA . . 4.980 4.751 4.735 4.770 . 0 0 "[ . 1 . 2]" 1
164 1 105 LEU HB2 1 106 ALA H . . 4.600 2.513 2.438 2.766 . 0 0 "[ . 1 . 2]" 1
165 1 105 LEU HB3 1 106 ALA H . . 4.600 3.191 2.972 3.512 . 0 0 "[ . 1 . 2]" 1
166 1 102 ASP HA 1 105 LEU HB2 . . 4.870 2.798 2.662 3.036 . 0 0 "[ . 1 . 2]" 1
167 1 102 ASP HA 1 105 LEU HB3 . . 4.870 4.315 4.135 4.628 . 0 0 "[ . 1 . 2]" 1
168 1 81 VAL HB 1 104 VAL HB . . 5.330 4.910 4.667 5.615 0.285 4 0 "[ . 1 . 2]" 1
169 1 103 ARG QG 1 104 VAL HB . . 5.500 4.410 3.901 4.556 . 0 0 "[ . 1 . 2]" 1
170 1 84 ALA MB 1 104 VAL HB . . 4.910 4.469 3.690 4.829 . 0 0 "[ . 1 . 2]" 1
171 1 81 VAL H 1 104 VAL HB . . 5.500 4.820 4.556 5.549 0.049 8 0 "[ . 1 . 2]" 1
172 1 104 VAL HA 1 104 VAL MG2 . . 3.650 3.121 2.409 3.202 . 0 0 "[ . 1 . 2]" 1
173 1 46 VAL MG1 1 104 VAL HA . . 5.500 5.382 5.096 5.611 0.111 18 0 "[ . 1 . 2]" 1
174 1 43 VAL MG1 1 104 VAL HA . . 4.440 3.135 2.272 4.462 0.022 5 0 "[ . 1 . 2]" 1
175 1 103 ARG QG 1 104 VAL HA . . 3.810 3.381 3.127 3.543 . 0 0 "[ . 1 . 2]" 1
176 1 101 LEU HA 1 104 VAL HB . . 4.600 4.373 2.629 4.578 . 0 0 "[ . 1 . 2]" 1
177 1 79 THR HB 1 80 LEU HA . . 4.410 4.097 3.933 4.235 . 0 0 "[ . 1 . 2]" 1
178 1 101 LEU HA 1 104 VAL H . . 4.540 3.567 3.430 3.663 . 0 0 "[ . 1 . 2]" 1
179 1 42 LEU MD2 1 73 LEU HA . . 4.150 2.822 2.108 3.475 . 0 0 "[ . 1 . 2]" 1
180 1 101 LEU HA 1 101 LEU MD1 . . 3.710 1.904 1.872 1.960 . 0 0 "[ . 1 . 2]" 1
181 1 101 LEU HA 1 103 ARG QG . . 4.550 4.247 4.208 4.354 . 0 0 "[ . 1 . 2]" 1
182 1 101 LEU HB3 1 102 ASP H . . 5.170 3.930 3.852 3.982 . 0 0 "[ . 1 . 2]" 1
183 1 98 GLN HA 1 101 LEU HB3 . . 5.500 4.755 4.342 5.025 . 0 0 "[ . 1 . 2]" 1
184 1 100 LEU HA 1 103 ARG H . . 4.030 3.602 3.550 3.724 . 0 0 "[ . 1 . 2]" 1
185 1 40 GLU HA 1 100 LEU HA . . 5.500 5.273 4.727 5.530 0.030 3 0 "[ . 1 . 2]" 1
186 1 72 ASP HA 1 73 LEU HA . . 5.500 4.768 4.732 4.802 . 0 0 "[ . 1 . 2]" 1
187 1 100 LEU HA 1 101 LEU HA . . 5.500 4.720 4.706 4.752 . 0 0 "[ . 1 . 2]" 1
188 1 100 LEU HB3 1 100 LEU MD1 . . 3.460 2.566 2.231 3.186 . 0 0 "[ . 1 . 2]" 1
189 1 97 PRO HG2 1 100 LEU HB3 . . 4.830 4.145 3.413 4.870 0.040 2 0 "[ . 1 . 2]" 1
190 1 97 PRO HG2 1 100 LEU HB2 . . 4.830 2.798 1.989 4.177 . 0 0 "[ . 1 . 2]" 1
191 1 100 LEU HB3 1 101 LEU H . . 4.460 3.293 2.977 3.705 . 0 0 "[ . 1 . 2]" 1
192 1 36 VAL HB 1 96 VAL HA . . 4.890 4.732 3.944 4.927 0.037 12 0 "[ . 1 . 2]" 1
193 1 96 VAL HA 1 97 PRO HG3 . . 5.310 4.490 4.422 4.515 . 0 0 "[ . 1 . 2]" 1
194 1 96 VAL HA 1 96 VAL MG2 . . 3.250 3.180 3.164 3.188 . 0 0 "[ . 1 . 2]" 1
195 1 96 VAL HA 1 96 VAL MG1 . . 3.180 2.221 2.105 2.284 . 0 0 "[ . 1 . 2]" 1
196 1 93 GLY HA3 1 94 ALA MB . . 4.960 4.095 3.693 4.459 . 0 0 "[ . 1 . 2]" 1
197 1 93 GLY HA2 1 94 ALA MB . . 4.960 4.301 3.678 4.634 . 0 0 "[ . 1 . 2]" 1
198 1 100 LEU HA 1 103 ARG QG . . 4.200 2.078 1.986 2.305 . 0 0 "[ . 1 . 2]" 1
199 1 86 ILE MD 1 91 ARG HA . . 4.420 2.996 1.933 4.410 . 0 0 "[ . 1 . 2]" 1
200 1 91 ARG HA 1 92 ARG HA . . 5.050 4.613 4.388 4.894 . 0 0 "[ . 1 . 2]" 1
201 1 86 ILE HA 1 86 ILE QG . . 4.010 3.297 3.218 3.309 . 0 0 "[ . 1 . 2]" 1
202 1 85 SER H 1 86 ILE HB . . 5.500 5.606 5.384 5.689 0.189 4 0 "[ . 1 . 2]" 1
203 1 85 SER H 1 85 SER HB3 . . 3.890 2.743 2.283 3.003 . 0 0 "[ . 1 . 2]" 1
204 1 85 SER HB2 1 86 ILE H . . 4.410 3.878 3.518 4.213 . 0 0 "[ . 1 . 2]" 1
205 1 85 SER HB3 1 86 ILE H . . 4.410 3.203 2.767 3.982 . 0 0 "[ . 1 . 2]" 1
206 1 83 THR HA 1 83 THR MG . . 3.450 2.321 2.208 2.412 . 0 0 "[ . 1 . 2]" 1
207 1 83 THR HA 1 86 ILE HA . . 5.480 5.475 5.271 5.522 0.042 6 0 "[ . 1 . 2]" 1
208 1 83 THR HA 1 86 ILE HB . . 4.680 4.594 4.557 4.689 0.009 7 0 "[ . 1 . 2]" 1
209 1 83 THR HB 1 84 ALA MB . . 4.610 3.877 3.778 4.018 . 0 0 "[ . 1 . 2]" 1
210 1 80 LEU HB2 1 83 THR HB . . 5.220 4.639 4.551 4.697 . 0 0 "[ . 1 . 2]" 1
211 1 78 LYS HA 1 81 VAL HB . . 4.890 2.668 2.513 2.826 . 0 0 "[ . 1 . 2]" 1
212 1 80 LEU HB3 1 81 VAL H . . 4.800 3.589 3.553 3.627 . 0 0 "[ . 1 . 2]" 1
213 1 78 LYS H 1 80 LEU HB3 . . 5.500 5.578 5.552 5.608 0.108 18 0 "[ . 1 . 2]" 1
214 1 80 LEU HA 1 83 THR HB . . 3.730 2.908 2.808 3.011 . 0 0 "[ . 1 . 2]" 1
215 1 79 THR MG 1 80 LEU HA . . 4.000 3.616 3.294 3.940 . 0 0 "[ . 1 . 2]" 1
216 1 80 LEU HA 1 80 LEU HG . . 4.240 3.672 3.665 3.682 . 0 0 "[ . 1 . 2]" 1
217 1 79 THR H 1 80 LEU HA . . 5.440 5.349 5.256 5.397 . 0 0 "[ . 1 . 2]" 1
218 1 80 LEU HA 1 83 THR HA . . 5.500 5.576 5.528 5.615 0.115 6 0 "[ . 1 . 2]" 1
219 1 80 LEU HA 1 84 ALA MB . . 5.230 4.327 4.052 4.586 . 0 0 "[ . 1 . 2]" 1
220 1 79 THR HA 1 82 HIS H . . 4.010 3.512 3.456 3.562 . 0 0 "[ . 1 . 2]" 1
221 1 79 THR HA 1 81 VAL H . . 4.590 4.153 4.107 4.270 . 0 0 "[ . 1 . 2]" 1
222 1 78 LYS HA 1 79 THR HA . . 4.800 4.788 4.742 4.813 0.013 4 0 "[ . 1 . 2]" 1
223 1 79 THR HA 1 79 THR MG . . 3.280 2.285 2.193 2.400 . 0 0 "[ . 1 . 2]" 1
224 1 78 LYS QG 1 79 THR HA . . 4.530 3.477 3.337 3.731 . 0 0 "[ . 1 . 2]" 1
225 1 79 THR HA 1 81 VAL HB . . 5.500 5.003 4.920 5.295 . 0 0 "[ . 1 . 2]" 1
226 1 78 LYS QG 1 79 THR HB . . 5.500 5.377 5.228 5.594 0.094 12 0 "[ . 1 . 2]" 1
227 1 79 THR HB 1 82 HIS H . . 5.500 5.567 5.513 5.610 0.110 6 0 "[ . 1 . 2]" 1
228 1 79 THR HB 1 80 LEU HG . . 5.500 5.561 5.506 5.601 0.101 11 0 "[ . 1 . 2]" 1
229 1 79 THR HB 1 80 LEU HB3 . . 4.870 3.919 3.864 4.001 . 0 0 "[ . 1 . 2]" 1
230 1 77 TRP HA 1 77 TRP HD1 . . 3.830 2.959 2.710 3.375 . 0 0 "[ . 1 . 2]" 1
231 1 77 TRP HA 1 80 LEU HB3 . . 3.950 3.313 3.117 3.479 . 0 0 "[ . 1 . 2]" 1
232 1 77 TRP HA 1 80 LEU HG . . 4.420 3.004 2.746 3.153 . 0 0 "[ . 1 . 2]" 1
233 1 77 TRP HA 1 80 LEU HB2 . . 5.500 4.693 4.557 4.818 . 0 0 "[ . 1 . 2]" 1
234 1 46 VAL MG1 1 77 TRP QB . . 4.570 2.087 1.940 2.466 . 0 0 "[ . 1 . 2]" 1
235 1 84 ALA MB 1 101 LEU HA . . 4.100 2.732 2.662 2.947 . 0 0 "[ . 1 . 2]" 1
236 1 73 LEU HA 1 73 LEU HG . . 4.110 3.061 2.315 3.561 . 0 0 "[ . 1 . 2]" 1
237 1 73 LEU HA 1 76 LYS H . . 4.570 3.567 3.456 3.691 . 0 0 "[ . 1 . 2]" 1
238 1 101 LEU HA 1 103 ARG H . . 4.530 4.383 4.289 4.550 0.020 13 0 "[ . 1 . 2]" 1
239 1 69 THR HA 1 69 THR MG . . 3.540 2.184 1.983 2.338 . 0 0 "[ . 1 . 2]" 1
240 1 48 HIS H 1 49 LEU HA . . 5.500 5.315 5.175 5.387 . 0 0 "[ . 1 . 2]" 1
241 1 48 HIS HA 1 49 LEU HA . . 4.920 4.587 4.570 4.643 . 0 0 "[ . 1 . 2]" 1
242 1 48 HIS HB3 1 49 LEU HA . . 4.450 4.387 4.156 4.519 0.069 1 0 "[ . 1 . 2]" 1
243 1 43 VAL HA 1 46 VAL HB . . 4.690 4.601 4.370 4.794 0.104 16 0 "[ . 1 . 2]" 1
244 1 46 VAL HA 1 74 LYS HA . . 5.500 5.518 5.100 5.647 0.147 15 0 "[ . 1 . 2]" 1
245 1 45 ALA H 1 45 ALA MB . . 3.290 2.169 2.048 2.246 . 0 0 "[ . 1 . 2]" 1
246 1 45 ALA MB 1 46 VAL H . . 3.650 2.430 2.326 2.612 . 0 0 "[ . 1 . 2]" 1
247 1 45 ALA MB 1 47 GLU H . . 4.730 4.309 4.244 4.424 . 0 0 "[ . 1 . 2]" 1
248 1 42 LEU HA 1 45 ALA MB . . 3.850 2.719 2.368 3.012 . 0 0 "[ . 1 . 2]" 1
249 1 43 VAL HA 1 45 ALA MB . . 5.100 4.783 4.641 4.999 . 0 0 "[ . 1 . 2]" 1
250 1 45 ALA MB 1 57 VAL HA . . 3.910 2.600 2.002 3.091 . 0 0 "[ . 1 . 2]" 1
251 1 45 ALA MB 1 46 VAL HA . . 3.910 3.778 3.680 3.843 . 0 0 "[ . 1 . 2]" 1
252 1 45 ALA MB 1 57 VAL HB . . 4.470 3.131 2.006 3.967 . 0 0 "[ . 1 . 2]" 1
253 1 45 ALA MB 1 57 VAL MG1 . . 3.920 3.329 1.717 4.105 0.185 6 0 "[ . 1 . 2]" 1
254 1 45 ALA HA 1 48 HIS HB2 . . 3.780 3.725 2.951 3.880 0.100 9 0 "[ . 1 . 2]" 1
255 1 44 GLU HA 1 45 ALA HA . . 4.960 4.761 4.736 4.814 . 0 0 "[ . 1 . 2]" 1
256 1 44 GLU H 1 45 ALA HA . . 5.420 5.194 5.086 5.246 . 0 0 "[ . 1 . 2]" 1
257 1 44 GLU HA 1 47 GLU HB2 . . 4.250 3.645 2.260 4.335 0.085 6 0 "[ . 1 . 2]" 1
258 1 44 GLU HA 1 44 GLU HG3 . . 3.920 2.737 2.399 3.527 . 0 0 "[ . 1 . 2]" 1
259 1 44 GLU HA 1 47 GLU HB3 . . 4.250 2.642 2.152 3.866 . 0 0 "[ . 1 . 2]" 1
260 1 42 LEU HA 1 42 LEU HG . . 4.190 3.244 2.472 3.710 . 0 0 "[ . 1 . 2]" 1
261 1 42 LEU HA 1 46 VAL MG1 . . 5.150 4.363 3.971 4.615 . 0 0 "[ . 1 . 2]" 1
262 1 41 LEU HB3 1 42 LEU H . . 4.970 3.650 3.443 3.879 . 0 0 "[ . 1 . 2]" 1
263 1 41 LEU HB2 1 42 LEU H . . 4.970 2.541 2.411 2.711 . 0 0 "[ . 1 . 2]" 1
264 1 41 LEU HA 1 41 LEU HG . . 4.030 2.874 2.766 3.120 . 0 0 "[ . 1 . 2]" 1
265 1 41 LEU HA 1 44 GLU HB3 . . 3.910 2.638 2.315 3.092 . 0 0 "[ . 1 . 2]" 1
266 1 41 LEU HA 1 41 LEU MD1 . . 4.040 3.932 3.898 3.975 . 0 0 "[ . 1 . 2]" 1
267 1 35 THR HA 1 35 THR MG . . 3.440 2.283 2.022 3.190 . 0 0 "[ . 1 . 2]" 1
268 1 30 ILE HA 1 30 ILE MG . . 3.190 2.283 2.193 2.518 . 0 0 "[ . 1 . 2]" 1
269 1 30 ILE HA 1 30 ILE MD . . 3.580 2.233 1.971 3.716 0.136 8 0 "[ . 1 . 2]" 1
270 1 30 ILE HA 1 30 ILE HG12 . . 3.870 3.130 2.393 3.583 . 0 0 "[ . 1 . 2]" 1
271 1 26 GLY HA3 1 27 GLN HA . . 4.720 4.497 4.317 4.707 . 0 0 "[ . 1 . 2]" 1
272 1 27 GLN HA 1 27 GLN QG . . 3.540 2.858 2.204 3.435 . 0 0 "[ . 1 . 2]" 1
273 1 26 GLY HA2 1 27 GLN HA . . 4.720 4.444 4.296 5.203 0.483 18 0 "[ . 1 . 2]" 1
274 1 108 GLN HA 1 111 TRP HB3 . . 5.500 5.153 4.648 5.568 0.068 6 0 "[ . 1 . 2]" 1
275 1 111 TRP HB2 1 112 SER H . . 4.320 3.231 3.102 3.709 . 0 0 "[ . 1 . 2]" 1
276 1 120 VAL H 1 120 VAL HB . . 3.670 3.367 2.606 3.964 0.294 5 0 "[ . 1 . 2]" 1
277 1 113 VAL HB 1 114 ASP QB . . 4.980 4.360 3.401 5.546 0.566 11 1 "[ . 1+ . 2]" 1
278 1 113 VAL H 1 114 ASP QB . . 4.950 4.602 3.376 4.943 . 0 0 "[ . 1 . 2]" 1
279 1 113 VAL HA 1 114 ASP QB . . 4.870 4.489 3.920 4.857 . 0 0 "[ . 1 . 2]" 1
280 1 9 SER HA 1 9 SER QB . . 2.780 2.317 2.174 2.457 . 0 0 "[ . 1 . 2]" 1
281 1 117 GLY QA 1 118 ARG HA . . 4.160 4.008 3.936 4.165 0.005 16 0 "[ . 1 . 2]" 1
282 1 119 ILE H 1 119 ILE HB . . 3.930 3.185 2.514 3.957 0.027 15 0 "[ . 1 . 2]" 1
283 1 119 ILE HA 1 119 ILE HG13 . . 3.930 3.535 2.496 3.767 . 0 0 "[ . 1 . 2]" 1
284 1 119 ILE HA 1 119 ILE MG . . 3.030 2.302 2.129 3.165 0.135 9 0 "[ . 1 . 2]" 1
285 1 119 ILE HA 1 119 ILE HG12 . . 3.930 3.471 2.643 3.867 . 0 0 "[ . 1 . 2]" 1
286 1 118 ARG HA 1 119 ILE HA . . 4.590 4.355 4.297 4.560 . 0 0 "[ . 1 . 2]" 1
287 1 121 THR HA 1 121 THR MG . . 3.440 2.535 2.068 3.207 . 0 0 "[ . 1 . 2]" 1
288 1 75 ASP HA 1 76 LYS HA . . 4.920 4.802 4.779 4.829 . 0 0 "[ . 1 . 2]" 1
289 1 96 VAL MG2 1 97 PRO HA . . 4.930 4.755 4.702 4.881 . 0 0 "[ . 1 . 2]" 1
290 1 95 PRO HA 1 96 VAL MG1 . . 4.750 4.447 4.299 4.566 . 0 0 "[ . 1 . 2]" 1
291 1 95 PRO HB3 1 96 VAL H . . 4.660 4.480 4.277 4.582 . 0 0 "[ . 1 . 2]" 1
292 1 88 PRO HA 1 91 ARG QB . . 4.930 3.297 1.996 4.952 0.022 6 0 "[ . 1 . 2]" 1
293 1 88 PRO HA 1 89 GLN HA . . 5.270 4.767 4.671 4.877 . 0 0 "[ . 1 . 2]" 1
294 1 88 PRO HA 1 91 ARG HA . . 5.500 5.064 4.096 5.520 0.020 17 0 "[ . 1 . 2]" 1
295 1 88 PRO HA 1 91 ARG H . . 4.460 3.397 2.985 4.270 . 0 0 "[ . 1 . 2]" 1
296 1 33 PRO HA 1 34 PHE QB . . 5.260 4.616 4.188 4.920 . 0 0 "[ . 1 . 2]" 1
297 1 33 PRO HA 1 34 PHE HD1 . . 5.100 4.683 3.722 5.171 0.071 2 0 "[ . 1 . 2]" 1
298 1 33 PRO HB2 1 34 PHE HA . . 4.530 4.435 4.266 4.598 0.068 2 0 "[ . 1 . 2]" 1
299 1 28 ARG HA 1 28 ARG QG . . 3.580 2.730 2.119 3.433 . 0 0 "[ . 1 . 2]" 1
300 1 29 ARG HA 1 29 ARG QG . . 3.510 2.744 2.120 3.343 . 0 0 "[ . 1 . 2]" 1
301 1 30 ILE HA 1 30 ILE HG13 . . 3.870 3.589 2.306 3.792 . 0 0 "[ . 1 . 2]" 1
302 1 31 ARG HA 1 31 ARG QG . . 3.390 2.649 2.144 3.408 0.018 3 0 "[ . 1 . 2]" 1
303 1 55 ARG HA 1 57 VAL H . . 4.840 4.352 4.026 4.658 . 0 0 "[ . 1 . 2]" 1
304 1 18 SER QB 1 19 ARG HA . . 3.960 3.932 3.771 4.135 0.175 11 0 "[ . 1 . 2]" 1
305 1 103 ARG HA 1 106 ALA MB . . 3.680 2.809 2.611 3.088 . 0 0 "[ . 1 . 2]" 1
306 1 53 ARG HA 1 53 ARG HG3 . . 3.970 3.128 2.211 3.761 . 0 0 "[ . 1 . 2]" 1
307 1 53 ARG HA 1 53 ARG HG2 . . 3.970 2.748 2.280 3.594 . 0 0 "[ . 1 . 2]" 1
308 1 53 ARG HA 1 53 ARG QD . . 4.290 3.321 2.016 4.183 . 0 0 "[ . 1 . 2]" 1
309 1 53 ARG HA 1 54 TRP HD1 . . 5.500 4.851 4.008 5.541 0.041 7 0 "[ . 1 . 2]" 1
310 1 46 VAL HB 1 74 LYS HA . . 4.570 3.491 3.182 3.675 . 0 0 "[ . 1 . 2]" 1
311 1 57 VAL HB 1 58 LYS H . . 4.640 3.687 2.361 4.212 . 0 0 "[ . 1 . 2]" 1
312 1 45 ALA HA 1 57 VAL HB . . 5.410 5.008 3.986 6.090 0.680 20 5 "[- . ** .* +]" 1
313 1 44 GLU H 1 44 GLU HG3 . . 4.580 4.422 4.157 4.587 0.007 4 0 "[ . 1 . 2]" 1
314 1 44 GLU HA 1 44 GLU HG2 . . 3.920 3.223 2.409 3.835 . 0 0 "[ . 1 . 2]" 1
315 1 40 GLU H 1 40 GLU HG3 . . 4.160 3.202 2.709 4.397 0.237 13 0 "[ . 1 . 2]" 1
316 1 40 GLU HA 1 40 GLU HG3 . . 3.790 2.810 2.508 3.629 . 0 0 "[ . 1 . 2]" 1
317 1 38 GLU H 1 38 GLU HG2 . . 4.810 3.537 1.941 4.581 . 0 0 "[ . 1 . 2]" 1
318 1 47 GLU H 1 47 GLU HG2 . . 4.760 4.157 2.718 4.639 . 0 0 "[ . 1 . 2]" 1
319 1 99 GLU HA 1 99 GLU QG . . 3.540 3.337 3.324 3.416 . 0 0 "[ . 1 . 2]" 1
320 1 99 GLU QG 1 100 LEU H . . 3.870 1.971 1.884 2.124 . 0 0 "[ . 1 . 2]" 1
321 1 99 GLU QG 1 100 LEU HG . . 4.630 3.952 2.392 4.690 0.060 12 0 "[ . 1 . 2]" 1
322 1 97 PRO HA 1 99 GLU QG . . 4.550 4.234 3.491 4.534 . 0 0 "[ . 1 . 2]" 1
323 1 89 GLN HA 1 89 GLN HG2 . . 4.050 3.630 2.626 3.856 . 0 0 "[ . 1 . 2]" 1
324 1 89 GLN HG2 1 90 GLN H . . 4.720 3.154 2.207 4.725 0.005 14 0 "[ . 1 . 2]" 1
325 1 89 GLN HG3 1 90 GLN H . . 4.720 3.019 2.275 4.066 . 0 0 "[ . 1 . 2]" 1
326 1 90 GLN HA 1 90 GLN HG3 . . 3.870 3.672 3.183 3.855 . 0 0 "[ . 1 . 2]" 1
327 1 90 GLN HA 1 90 GLN HG2 . . 3.870 2.924 2.390 3.623 . 0 0 "[ . 1 . 2]" 1
328 1 87 ALA MB 1 90 GLN HG3 . . 3.920 2.994 2.034 3.932 0.012 20 0 "[ . 1 . 2]" 1
329 1 108 GLN HG2 1 109 ALA H . . 5.500 4.667 4.328 5.038 . 0 0 "[ . 1 . 2]" 1
330 1 108 GLN HG3 1 109 ALA H . . 5.500 4.553 3.667 4.978 . 0 0 "[ . 1 . 2]" 1
331 1 81 VAL MG1 1 108 GLN HG3 . . 5.220 2.314 1.911 4.087 . 0 0 "[ . 1 . 2]" 1
332 1 108 GLN H 1 108 GLN HG2 . . 5.380 4.334 4.102 4.619 . 0 0 "[ . 1 . 2]" 1
333 1 108 GLN H 1 108 GLN HG3 . . 5.380 4.544 4.420 4.595 . 0 0 "[ . 1 . 2]" 1
334 1 41 LEU HB3 1 41 LEU MD1 . . 3.210 2.626 2.474 2.830 . 0 0 "[ . 1 . 2]" 1
335 1 41 LEU HB2 1 41 LEU MD1 . . 3.210 2.134 1.923 2.253 . 0 0 "[ . 1 . 2]" 1
336 1 37 ALA MB 1 41 LEU MD1 . . 3.970 2.982 2.346 3.448 . 0 0 "[ . 1 . 2]" 1
337 1 38 GLU HA 1 41 LEU MD1 . . 3.400 2.451 1.973 2.707 . 0 0 "[ . 1 . 2]" 1
338 1 41 LEU HB3 1 41 LEU MD2 . . 3.290 2.131 1.990 2.253 . 0 0 "[ . 1 . 2]" 1
339 1 41 LEU HB2 1 41 LEU MD2 . . 3.290 3.122 3.030 3.167 . 0 0 "[ . 1 . 2]" 1
340 1 49 LEU MD2 1 57 VAL H . . 5.090 4.728 4.129 5.104 0.014 17 0 "[ . 1 . 2]" 1
341 1 105 LEU MD2 1 106 ALA H . . 5.450 4.532 4.205 4.700 . 0 0 "[ . 1 . 2]" 1
342 1 42 LEU HB3 1 42 LEU MD1 . . 3.670 2.887 2.027 3.195 . 0 0 "[ . 1 . 2]" 1
343 1 42 LEU HB2 1 42 LEU MD1 . . 3.670 2.376 2.034 3.124 . 0 0 "[ . 1 . 2]" 1
344 1 42 LEU MD1 1 77 TRP QB . . 4.200 3.195 1.913 4.286 0.086 4 0 "[ . 1 . 2]" 1
345 1 42 LEU MD1 1 73 LEU HA . . 4.150 2.170 1.892 4.040 . 0 0 "[ . 1 . 2]" 1
346 1 42 LEU MD1 1 77 TRP H . . 4.580 3.395 2.280 3.834 . 0 0 "[ . 1 . 2]" 1
347 1 42 LEU HA 1 42 LEU MD1 . . 4.070 2.827 2.203 3.662 . 0 0 "[ . 1 . 2]" 1
348 1 42 LEU HB2 1 42 LEU MD2 . . 3.670 2.629 2.324 3.149 . 0 0 "[ . 1 . 2]" 1
349 1 42 LEU MD2 1 77 TRP QB . . 4.200 3.198 2.309 3.891 . 0 0 "[ . 1 . 2]" 1
350 1 42 LEU HA 1 42 LEU MD2 . . 4.070 3.593 2.007 4.012 . 0 0 "[ . 1 . 2]" 1
351 1 42 LEU MD2 1 76 LYS H . . 4.480 4.228 3.973 4.494 0.014 20 0 "[ . 1 . 2]" 1
352 1 42 LEU MD2 1 77 TRP H . . 4.580 3.292 2.544 3.840 . 0 0 "[ . 1 . 2]" 1
353 1 42 LEU HB3 1 42 LEU MD2 . . 3.670 2.288 2.014 3.162 . 0 0 "[ . 1 . 2]" 1
354 1 84 ALA MB 1 105 LEU MD2 . . 3.390 2.799 1.717 3.299 . 0 0 "[ . 1 . 2]" 1
355 1 49 LEU H 1 49 LEU MD2 . . 4.160 3.778 3.207 4.013 . 0 0 "[ . 1 . 2]" 1
356 1 41 LEU HA 1 41 LEU MD2 . . 2.930 2.511 2.277 2.873 . 0 0 "[ . 1 . 2]" 1
357 1 49 LEU HA 1 49 LEU MD2 . . 4.010 2.479 2.134 2.649 . 0 0 "[ . 1 . 2]" 1
358 1 49 LEU HA 1 49 LEU MD1 . . 4.010 3.965 3.897 3.990 . 0 0 "[ . 1 . 2]" 1
359 1 49 LEU HA 1 49 LEU HG . . 3.810 3.022 2.871 3.360 . 0 0 "[ . 1 . 2]" 1
360 1 48 HIS HB3 1 49 LEU HG . . 2.800 2.738 2.547 2.849 0.049 19 0 "[ . 1 . 2]" 1
361 1 45 ALA MB 1 73 LEU HG . . 5.500 5.518 5.050 5.658 0.158 6 0 "[ . 1 . 2]" 1
362 1 70 TYR HA 1 73 LEU HG . . 5.070 3.533 2.399 5.102 0.032 12 0 "[ . 1 . 2]" 1
363 1 72 ASP H 1 73 LEU HG . . 5.500 4.708 4.010 5.617 0.117 15 0 "[ . 1 . 2]" 1
364 1 73 LEU HA 1 73 LEU MD1 . . 3.900 3.635 3.401 3.819 . 0 0 "[ . 1 . 2]" 1
365 1 58 LYS HA 1 73 LEU MD1 . . 4.410 2.099 1.862 2.949 . 0 0 "[ . 1 . 2]" 1
366 1 70 TYR HA 1 73 LEU MD1 . . 4.350 2.760 1.938 3.986 . 0 0 "[ . 1 . 2]" 1
367 1 73 LEU HA 1 73 LEU MD2 . . 3.900 2.496 1.893 3.431 . 0 0 "[ . 1 . 2]" 1
368 1 58 LYS HA 1 73 LEU MD2 . . 4.410 3.463 1.863 4.425 0.015 16 0 "[ . 1 . 2]" 1
369 1 70 TYR HA 1 73 LEU MD2 . . 4.350 4.273 3.958 4.424 0.074 17 0 "[ . 1 . 2]" 1
370 1 73 LEU H 1 73 LEU MD2 . . 4.060 3.173 2.402 4.172 0.112 12 0 "[ . 1 . 2]" 1
371 1 80 LEU HB2 1 81 VAL H . . 5.130 4.181 4.138 4.202 . 0 0 "[ . 1 . 2]" 1
372 1 97 PRO HG2 1 100 LEU HG . . 4.000 3.001 1.909 4.041 0.041 15 0 "[ . 1 . 2]" 1
373 1 100 LEU MD2 1 101 LEU H . . 4.620 4.413 4.213 4.694 0.074 12 0 "[ . 1 . 2]" 1
374 1 100 LEU HB3 1 100 LEU MD2 . . 3.460 2.756 2.332 3.191 . 0 0 "[ . 1 . 2]" 1
375 1 100 LEU HB2 1 100 LEU MD2 . . 3.460 2.548 2.205 3.180 . 0 0 "[ . 1 . 2]" 1
376 1 100 LEU HA 1 100 LEU MD1 . . 3.930 2.610 1.959 3.765 . 0 0 "[ . 1 . 2]" 1
377 1 100 LEU HB2 1 100 LEU MD1 . . 3.460 2.727 2.332 3.193 . 0 0 "[ . 1 . 2]" 1
378 1 96 VAL MG2 1 101 LEU HG . . 4.700 4.194 3.607 4.740 0.040 8 0 "[ . 1 . 2]" 1
379 1 101 LEU HA 1 101 LEU MD2 . . 3.710 3.533 3.475 3.559 . 0 0 "[ . 1 . 2]" 1
380 1 100 LEU H 1 101 LEU MD2 . . 4.390 3.440 3.332 3.554 . 0 0 "[ . 1 . 2]" 1
381 1 96 VAL MG2 1 101 LEU MD2 . . 3.850 2.495 2.189 2.904 . 0 0 "[ . 1 . 2]" 1
382 1 100 LEU H 1 101 LEU MD1 . . 4.390 4.265 4.162 4.440 0.050 4 0 "[ . 1 . 2]" 1
383 1 96 VAL HB 1 101 LEU MD1 . . 4.670 4.042 3.568 4.682 0.012 8 0 "[ . 1 . 2]" 1
384 1 96 VAL MG2 1 101 LEU MD1 . . 3.850 2.839 2.232 3.305 . 0 0 "[ . 1 . 2]" 1
385 1 84 ALA HA 1 101 LEU MD1 . . 4.450 3.600 3.394 3.869 . 0 0 "[ . 1 . 2]" 1
386 1 105 LEU H 1 105 LEU HG . . 4.400 2.890 2.517 3.998 . 0 0 "[ . 1 . 2]" 1
387 1 84 ALA MB 1 105 LEU MD1 . . 3.390 2.983 2.206 3.513 0.123 3 0 "[ . 1 . 2]" 1
388 1 30 ILE HG12 1 30 ILE MG . . 3.240 3.049 1.998 3.201 . 0 0 "[ . 1 . 2]" 1
389 1 30 ILE HG13 1 30 ILE MG . . 3.240 2.378 2.247 3.190 . 0 0 "[ . 1 . 2]" 1
390 1 30 ILE HB 1 30 ILE MD . . 3.580 3.091 2.179 3.230 . 0 0 "[ . 1 . 2]" 1
391 1 119 ILE HG13 1 119 ILE MG . . 3.260 2.841 2.265 3.199 . 0 0 "[ . 1 . 2]" 1
392 1 119 ILE HG12 1 119 ILE MG . . 3.260 2.554 1.993 3.200 . 0 0 "[ . 1 . 2]" 1
393 1 119 ILE HA 1 119 ILE MD . . 4.290 3.343 1.984 4.175 . 0 0 "[ . 1 . 2]" 1
394 1 119 ILE HB 1 119 ILE MD . . 3.300 2.590 2.103 3.230 . 0 0 "[ . 1 . 2]" 1
395 1 83 THR HA 1 86 ILE QG . . 4.150 1.965 1.949 1.981 . 0 0 "[ . 1 . 2]" 1
396 1 83 THR HB 1 86 ILE QG . . 4.500 4.459 4.418 4.503 0.003 20 0 "[ . 1 . 2]" 1
397 1 86 ILE QG 1 86 ILE MG . . 3.280 2.211 2.001 2.301 . 0 0 "[ . 1 . 2]" 1
398 1 86 ILE MD 1 86 ILE MG . . 2.740 2.111 1.913 2.511 . 0 0 "[ . 1 . 2]" 1
399 1 86 ILE HA 1 86 ILE MG . . 3.110 2.197 1.965 2.388 . 0 0 "[ . 1 . 2]" 1
400 1 83 THR HA 1 86 ILE MG . . 4.130 2.786 2.627 2.911 . 0 0 "[ . 1 . 2]" 1
401 1 85 SER H 1 86 ILE MG . . 4.270 3.877 3.583 4.068 . 0 0 "[ . 1 . 2]" 1
402 1 86 ILE HB 1 86 ILE MD . . 3.330 2.325 2.123 2.450 . 0 0 "[ . 1 . 2]" 1
403 1 86 ILE MD 1 90 GLN HB3 . . 3.730 2.481 1.935 3.764 0.034 13 0 "[ . 1 . 2]" 1
404 1 86 ILE MD 1 90 GLN HB2 . . 3.730 2.253 1.950 2.860 . 0 0 "[ . 1 . 2]" 1
405 1 83 THR HA 1 86 ILE MD . . 3.650 2.088 1.949 2.608 . 0 0 "[ . 1 . 2]" 1
406 1 83 THR HB 1 86 ILE MD . . 5.000 4.300 4.125 4.665 . 0 0 "[ . 1 . 2]" 1
407 1 86 ILE MD 1 87 ALA H . . 4.360 3.801 2.484 4.074 . 0 0 "[ . 1 . 2]" 1
408 1 86 ILE MD 1 90 GLN H . . 4.680 4.184 3.946 4.528 . 0 0 "[ . 1 . 2]" 1
409 1 84 ALA H 1 86 ILE MD . . 5.500 4.891 4.802 5.078 . 0 0 "[ . 1 . 2]" 1
410 1 86 ILE HA 1 86 ILE MD . . 4.530 4.175 4.155 4.182 . 0 0 "[ . 1 . 2]" 1
411 1 86 ILE MD 1 90 GLN HA . . 4.910 4.107 3.661 4.919 0.009 6 0 "[ . 1 . 2]" 1
412 1 36 VAL HA 1 36 VAL MG2 . . 3.220 2.343 2.293 2.399 . 0 0 "[ . 1 . 2]" 1
413 1 36 VAL MG2 1 37 ALA H . . 3.770 3.537 3.316 3.638 . 0 0 "[ . 1 . 2]" 1
414 1 43 VAL MG2 1 104 VAL HA . . 4.440 4.187 2.378 4.495 0.055 11 0 "[ . 1 . 2]" 1
415 1 36 VAL MG1 1 37 ALA H . . 3.770 2.152 1.942 3.481 . 0 0 "[ . 1 . 2]" 1
416 1 36 VAL H 1 36 VAL MG1 . . 3.960 2.061 1.911 3.755 . 0 0 "[ . 1 . 2]" 1
417 1 39 VAL HA 1 39 VAL MG2 . . 3.210 2.303 2.111 2.430 . 0 0 "[ . 1 . 2]" 1
418 1 39 VAL HA 1 39 VAL MG1 . . 3.210 2.384 2.302 2.561 . 0 0 "[ . 1 . 2]" 1
419 1 39 VAL H 1 39 VAL MG1 . . 3.880 3.756 3.679 3.769 . 0 0 "[ . 1 . 2]" 1
420 1 43 VAL HA 1 43 VAL MG1 . . 3.300 2.432 2.312 3.197 . 0 0 "[ . 1 . 2]" 1
421 1 43 VAL MG1 1 103 ARG QG . . 4.550 2.860 2.016 4.196 . 0 0 "[ . 1 . 2]" 1
422 1 43 VAL MG1 1 44 GLU H . . 3.930 3.439 1.890 3.935 0.005 10 0 "[ . 1 . 2]" 1
423 1 43 VAL MG1 1 77 TRP HD1 . . 4.140 2.597 1.957 4.192 0.052 5 0 "[ . 1 . 2]" 1
424 1 43 VAL H 1 43 VAL MG1 . . 3.810 3.369 2.072 3.765 . 0 0 "[ . 1 . 2]" 1
425 1 43 VAL HA 1 43 VAL MG2 . . 3.300 2.546 2.284 3.202 . 0 0 "[ . 1 . 2]" 1
426 1 43 VAL MG2 1 77 TRP HD1 . . 4.140 2.928 1.946 4.160 0.020 4 0 "[ . 1 . 2]" 1
427 1 43 VAL MG2 1 103 ARG QG . . 4.550 3.553 2.565 4.463 . 0 0 "[ . 1 . 2]" 1
428 1 46 VAL HA 1 46 VAL MG1 . . 3.320 3.186 3.155 3.203 . 0 0 "[ . 1 . 2]" 1
429 1 46 VAL MG1 1 57 VAL MG2 . . 4.180 3.624 2.821 4.192 0.012 9 0 "[ . 1 . 2]" 1
430 1 45 ALA MB 1 46 VAL MG1 . . 3.880 3.518 3.294 3.772 . 0 0 "[ . 1 . 2]" 1
431 1 46 VAL MG1 1 74 LYS HA . . 3.990 3.903 3.561 4.047 0.057 17 0 "[ . 1 . 2]" 1
432 1 42 LEU HG 1 46 VAL MG1 . . 4.160 3.674 3.110 4.331 0.171 17 0 "[ . 1 . 2]" 1
433 1 46 VAL MG1 1 57 VAL MG1 . . 4.180 3.949 3.240 4.479 0.299 19 0 "[ . 1 . 2]" 1
434 1 43 VAL HA 1 46 VAL MG1 . . 4.040 2.115 1.991 2.284 . 0 0 "[ . 1 . 2]" 1
435 1 46 VAL MG1 1 77 TRP HD1 . . 3.880 3.135 2.825 3.729 . 0 0 "[ . 1 . 2]" 1
436 1 46 VAL H 1 46 VAL MG1 . . 3.400 1.897 1.854 1.988 . 0 0 "[ . 1 . 2]" 1
437 1 46 VAL MG1 1 47 GLU H . . 4.250 2.072 1.914 2.163 . 0 0 "[ . 1 . 2]" 1
438 1 46 VAL MG2 1 74 LYS HA . . 3.620 3.036 2.752 3.499 . 0 0 "[ . 1 . 2]" 1
439 1 46 VAL MG2 1 57 VAL MG1 . . 4.370 3.252 2.343 4.001 . 0 0 "[ . 1 . 2]" 1
440 1 46 VAL HA 1 46 VAL MG2 . . 3.510 2.409 2.321 2.516 . 0 0 "[ . 1 . 2]" 1
441 1 43 VAL HA 1 46 VAL MG2 . . 4.750 4.524 4.122 4.778 0.028 16 0 "[ . 1 . 2]" 1
442 1 46 VAL MG2 1 77 TRP HD1 . . 4.600 4.565 4.322 4.638 0.038 14 0 "[ . 1 . 2]" 1
443 1 46 VAL MG2 1 47 GLU H . . 4.530 3.515 3.345 3.675 . 0 0 "[ . 1 . 2]" 1
444 1 57 VAL HA 1 57 VAL MG1 . . 3.630 2.774 2.419 3.199 . 0 0 "[ . 1 . 2]" 1
445 1 46 VAL HA 1 57 VAL MG1 . . 4.140 2.679 1.915 3.882 . 0 0 "[ . 1 . 2]" 1
446 1 57 VAL HA 1 57 VAL MG2 . . 3.630 2.705 2.307 3.144 . 0 0 "[ . 1 . 2]" 1
447 1 46 VAL HA 1 57 VAL MG2 . . 4.140 2.774 1.942 3.673 . 0 0 "[ . 1 . 2]" 1
448 1 45 ALA MB 1 57 VAL MG2 . . 3.920 2.572 1.752 3.581 . 0 0 "[ . 1 . 2]" 1
449 1 46 VAL MG2 1 57 VAL MG2 . . 4.370 3.476 3.057 3.946 . 0 0 "[ . 1 . 2]" 1
450 1 65 VAL HA 1 65 VAL MG1 . . 3.650 2.606 2.160 3.203 . 0 0 "[ . 1 . 2]" 1
451 1 71 VAL HA 1 71 VAL MG1 . . 3.350 3.196 3.188 3.204 . 0 0 "[ . 1 . 2]" 1
452 1 71 VAL MG1 1 72 ASP HB2 . . 4.550 3.382 3.057 4.074 . 0 0 "[ . 1 . 2]" 1
453 1 71 VAL MG1 1 72 ASP HB3 . . 4.550 4.302 3.886 4.551 0.001 9 0 "[ . 1 . 2]" 1
454 1 69 THR MG 1 71 VAL MG1 . . 3.730 2.220 1.826 3.039 . 0 0 "[ . 1 . 2]" 1
455 1 69 THR HB 1 71 VAL MG1 . . 4.510 2.237 1.971 2.721 . 0 0 "[ . 1 . 2]" 1
456 1 71 VAL MG1 1 72 ASP HA . . 4.570 3.312 3.057 3.423 . 0 0 "[ . 1 . 2]" 1
457 1 71 VAL H 1 71 VAL MG1 . . 3.170 2.006 1.904 2.161 . 0 0 "[ . 1 . 2]" 1
458 1 71 VAL MG1 1 72 ASP H . . 3.990 2.049 1.903 2.201 . 0 0 "[ . 1 . 2]" 1
459 1 71 VAL MG1 1 73 LEU H . . 4.760 4.288 4.089 4.478 . 0 0 "[ . 1 . 2]" 1
460 1 71 VAL HA 1 71 VAL MG2 . . 3.210 2.321 2.258 2.351 . 0 0 "[ . 1 . 2]" 1
461 1 71 VAL MG2 1 72 ASP HA . . 4.030 3.764 3.654 3.947 . 0 0 "[ . 1 . 2]" 1
462 1 71 VAL H 1 71 VAL MG2 . . 3.930 3.764 3.754 3.769 . 0 0 "[ . 1 . 2]" 1
463 1 71 VAL MG2 1 72 ASP H . . 3.910 3.677 3.559 3.838 . 0 0 "[ . 1 . 2]" 1
464 1 81 VAL H 1 81 VAL MG1 . . 3.540 3.682 3.212 3.755 0.215 12 0 "[ . 1 . 2]" 1
465 1 81 VAL MG1 1 82 HIS H . . 4.110 3.013 2.280 3.316 . 0 0 "[ . 1 . 2]" 1
466 1 78 LYS HA 1 81 VAL MG1 . . 4.570 3.835 3.062 4.047 . 0 0 "[ . 1 . 2]" 1
467 1 81 VAL HA 1 81 VAL MG1 . . 3.240 2.513 2.363 2.956 . 0 0 "[ . 1 . 2]" 1
468 1 81 VAL MG1 1 108 GLN HG2 . . 5.220 2.921 1.906 3.590 . 0 0 "[ . 1 . 2]" 1
469 1 81 VAL MG2 1 82 HIS H . . 4.110 3.970 3.875 4.206 0.096 8 0 "[ . 1 . 2]" 1
470 1 81 VAL HA 1 81 VAL MG2 . . 3.240 2.230 1.899 2.340 . 0 0 "[ . 1 . 2]" 1
471 1 81 VAL MG2 1 108 GLN HG2 . . 5.220 3.647 3.052 4.222 . 0 0 "[ . 1 . 2]" 1
472 1 96 VAL MG2 1 97 PRO HD2 . . 3.920 3.680 3.665 3.814 . 0 0 "[ . 1 . 2]" 1
473 1 104 VAL HA 1 104 VAL MG1 . . 3.650 2.369 2.284 2.423 . 0 0 "[ . 1 . 2]" 1
474 1 80 LEU HG 1 104 VAL MG1 . . 4.090 3.201 2.010 3.609 . 0 0 "[ . 1 . 2]" 1
475 1 103 ARG QG 1 104 VAL MG1 . . 4.700 2.234 1.945 4.384 . 0 0 "[ . 1 . 2]" 1
476 1 104 VAL MG1 1 105 LEU H . . 3.990 3.835 3.490 3.928 . 0 0 "[ . 1 . 2]" 1
477 1 80 LEU HG 1 104 VAL MG2 . . 4.090 3.588 3.348 3.826 . 0 0 "[ . 1 . 2]" 1
478 1 103 ARG QG 1 104 VAL MG2 . . 4.700 3.200 1.943 3.426 . 0 0 "[ . 1 . 2]" 1
479 1 104 VAL H 1 104 VAL MG2 . . 4.020 2.039 1.910 2.151 . 0 0 "[ . 1 . 2]" 1
480 1 46 VAL HA 1 50 GLY H . . 4.530 4.355 4.087 4.574 0.044 9 0 "[ . 1 . 2]" 1
481 1 61 ALA MB 1 62 PHE QD . . 3.920 3.513 2.152 4.004 0.084 10 0 "[ . 1 . 2]" 1
482 1 35 THR MG 1 36 VAL H . . 3.650 2.323 1.918 3.654 0.004 4 0 "[ . 1 . 2]" 1
483 1 36 VAL H 1 38 GLU H . . 4.560 4.385 3.902 4.513 . 0 0 "[ . 1 . 2]" 1
484 1 36 VAL H 1 36 VAL HB . . 3.370 2.582 2.538 2.692 . 0 0 "[ . 1 . 2]" 1
485 1 36 VAL H 1 36 VAL MG2 . . 3.960 3.681 2.082 3.767 . 0 0 "[ . 1 . 2]" 1
486 1 94 ALA H 1 94 ALA MB . . 3.200 2.192 2.026 2.908 . 0 0 "[ . 1 . 2]" 1
487 1 86 ILE H 1 87 ALA H . . 4.600 4.526 3.433 4.629 0.029 19 0 "[ . 1 . 2]" 1
488 1 86 ILE HA 1 87 ALA H . . 3.010 2.600 2.469 3.539 0.529 7 1 "[ . + 1 . 2]" 1
489 1 87 ALA H 1 88 PRO QD . . 4.620 4.335 4.301 4.371 . 0 0 "[ . 1 . 2]" 1
490 1 86 ILE HB 1 87 ALA H . . 3.210 2.090 1.942 2.278 . 0 0 "[ . 1 . 2]" 1
491 1 87 ALA H 1 87 ALA MB . . 2.910 2.126 2.026 2.745 . 0 0 "[ . 1 . 2]" 1
492 1 86 ILE MG 1 87 ALA H . . 3.670 3.483 3.420 3.709 0.039 7 0 "[ . 1 . 2]" 1
493 1 98 GLN H 1 99 GLU H . . 4.150 2.662 2.607 2.757 . 0 0 "[ . 1 . 2]" 1
494 1 99 GLU H 1 99 GLU QG . . 3.370 2.281 1.919 2.568 . 0 0 "[ . 1 . 2]" 1
495 1 34 PHE QB 1 35 THR H . . 3.870 2.482 2.393 3.475 . 0 0 "[ . 1 . 2]" 1
496 1 35 THR H 1 38 GLU HB3 . . 4.240 3.336 2.148 3.999 . 0 0 "[ . 1 . 2]" 1
497 1 35 THR H 1 39 VAL HB . . 5.430 5.422 5.094 5.546 0.116 8 0 "[ . 1 . 2]" 1
498 1 35 THR H 1 38 GLU HB2 . . 4.240 2.394 1.945 3.228 . 0 0 "[ . 1 . 2]" 1
499 1 35 THR H 1 38 GLU HA . . 5.460 5.188 4.851 5.610 0.150 8 0 "[ . 1 . 2]" 1
500 1 34 PHE HD1 1 35 THR H . . 4.290 4.051 3.922 4.389 0.099 17 0 "[ . 1 . 2]" 1
501 1 34 PHE HD2 1 35 THR H . . 5.500 5.421 4.059 5.623 0.123 3 0 "[ . 1 . 2]" 1
502 1 69 THR H 1 69 THR MG . . 3.900 3.877 3.647 4.041 0.141 1 0 "[ . 1 . 2]" 1
503 1 69 THR H 1 72 ASP HB3 . . 4.550 2.965 2.490 3.674 . 0 0 "[ . 1 . 2]" 1
504 1 69 THR H 1 72 ASP HB2 . . 4.550 2.786 1.944 3.718 . 0 0 "[ . 1 . 2]" 1
505 1 69 THR H 1 70 TYR HA . . 5.500 5.166 4.761 5.872 0.372 19 0 "[ . 1 . 2]" 1
506 1 69 THR H 1 72 ASP HA . . 5.500 5.266 4.624 5.648 0.148 17 0 "[ . 1 . 2]" 1
507 1 71 VAL H 1 73 LEU H . . 4.710 4.251 3.932 4.519 . 0 0 "[ . 1 . 2]" 1
508 1 70 TYR H 1 71 VAL H . . 4.010 2.907 2.831 3.066 . 0 0 "[ . 1 . 2]" 1
509 1 69 THR HB 1 71 VAL H . . 3.780 3.304 2.955 3.762 . 0 0 "[ . 1 . 2]" 1
510 1 71 VAL H 1 71 VAL HB . . 3.320 2.582 2.472 2.622 . 0 0 "[ . 1 . 2]" 1
511 1 69 THR MG 1 71 VAL H . . 4.340 2.567 1.925 3.891 . 0 0 "[ . 1 . 2]" 1
512 1 64 ASN H 1 65 VAL H . . 3.960 2.278 1.833 3.023 . 0 0 "[ . 1 . 2]" 1
513 1 65 VAL H 1 65 VAL MG2 . . 4.150 2.741 1.901 3.836 . 0 0 "[ . 1 . 2]" 1
514 1 65 VAL H 1 65 VAL MG1 . . 4.150 2.689 1.903 3.962 . 0 0 "[ . 1 . 2]" 1
515 1 63 GLU HA 1 65 VAL H . . 4.590 4.221 3.620 4.645 0.055 20 0 "[ . 1 . 2]" 1
516 1 65 VAL H 1 65 VAL HB . . 3.690 3.051 2.280 3.753 0.063 2 0 "[ . 1 . 2]" 1
517 1 34 PHE H 1 34 PHE HD2 . . 5.430 4.059 3.409 5.409 . 0 0 "[ . 1 . 2]" 1
518 1 34 PHE H 1 34 PHE HD1 . . 4.310 2.953 2.586 4.004 . 0 0 "[ . 1 . 2]" 1
519 1 98 GLN H 1 98 GLN HB2 . . 4.120 2.987 2.242 3.591 . 0 0 "[ . 1 . 2]" 1
520 1 98 GLN H 1 98 GLN HG3 . . 4.390 3.028 2.127 3.804 . 0 0 "[ . 1 . 2]" 1
521 1 98 GLN H 1 100 LEU H . . 4.950 4.369 4.205 4.574 . 0 0 "[ . 1 . 2]" 1
522 1 98 GLN H 1 98 GLN HG2 . . 4.390 2.843 1.984 4.072 . 0 0 "[ . 1 . 2]" 1
523 1 98 GLN H 1 98 GLN HB3 . . 4.120 3.042 2.380 3.591 . 0 0 "[ . 1 . 2]" 1
524 1 43 VAL H 1 43 VAL HB . . 3.610 2.756 2.377 3.623 0.013 10 0 "[ . 1 . 2]" 1
525 1 43 VAL H 1 43 VAL MG2 . . 3.810 2.189 1.905 3.757 . 0 0 "[ . 1 . 2]" 1
526 1 35 THR HA 1 36 VAL H . . 3.300 2.331 2.199 2.430 . 0 0 "[ . 1 . 2]" 1
527 1 44 GLU HA 1 47 GLU H . . 4.520 3.527 3.377 3.636 . 0 0 "[ . 1 . 2]" 1
528 1 47 GLU H 1 47 GLU HB2 . . 3.710 2.762 2.174 3.555 . 0 0 "[ . 1 . 2]" 1
529 1 47 GLU H 1 47 GLU HG3 . . 4.760 4.262 2.699 4.648 . 0 0 "[ . 1 . 2]" 1
530 1 47 GLU H 1 47 GLU HB3 . . 3.710 2.500 2.245 3.545 . 0 0 "[ . 1 . 2]" 1
531 1 46 VAL HB 1 47 GLU H . . 4.220 4.113 4.014 4.203 . 0 0 "[ . 1 . 2]" 1
532 1 39 VAL H 1 39 VAL MG2 . . 3.880 2.307 2.050 2.632 . 0 0 "[ . 1 . 2]" 1
533 1 39 VAL H 1 41 LEU MD1 . . 5.320 5.053 4.581 5.330 0.010 19 0 "[ . 1 . 2]" 1
534 1 38 GLU HB3 1 39 VAL H . . 3.920 3.194 2.406 3.747 . 0 0 "[ . 1 . 2]" 1
535 1 39 VAL H 1 39 VAL HB . . 3.410 2.509 2.289 2.687 . 0 0 "[ . 1 . 2]" 1
536 1 38 GLU HB2 1 39 VAL H . . 3.920 2.801 2.441 3.836 . 0 0 "[ . 1 . 2]" 1
537 1 34 PHE QB 1 39 VAL H . . 4.590 3.487 2.841 4.629 0.039 16 0 "[ . 1 . 2]" 1
538 1 37 ALA H 1 39 VAL H . . 4.500 4.147 4.007 4.249 . 0 0 "[ . 1 . 2]" 1
539 1 35 THR H 1 39 VAL H . . 4.530 3.771 3.375 4.240 . 0 0 "[ . 1 . 2]" 1
540 1 101 LEU H 1 102 ASP H . . 3.380 2.463 2.439 2.550 . 0 0 "[ . 1 . 2]" 1
541 1 99 GLU HA 1 102 ASP H . . 3.830 3.310 3.202 3.522 . 0 0 "[ . 1 . 2]" 1
542 1 99 GLU QG 1 102 ASP H . . 5.500 4.958 4.885 5.102 . 0 0 "[ . 1 . 2]" 1
543 1 101 LEU HB2 1 102 ASP H . . 3.650 2.934 2.872 2.978 . 0 0 "[ . 1 . 2]" 1
544 1 102 ASP H 1 103 ARG QG . . 4.290 3.643 3.562 4.182 . 0 0 "[ . 1 . 2]" 1
545 1 100 LEU H 1 102 ASP H . . 3.970 3.877 3.778 3.963 . 0 0 "[ . 1 . 2]" 1
546 1 102 ASP H 1 104 VAL H . . 4.960 4.020 3.913 4.079 . 0 0 "[ . 1 . 2]" 1
547 1 102 ASP H 1 102 ASP HB3 . . 3.490 2.604 2.390 2.798 . 0 0 "[ . 1 . 2]" 1
548 1 102 ASP H 1 102 ASP HB2 . . 3.380 2.517 2.359 2.739 . 0 0 "[ . 1 . 2]" 1
549 1 69 THR HB 1 70 TYR H . . 3.960 3.636 3.176 3.910 . 0 0 "[ . 1 . 2]" 1
550 1 55 ARG HA 1 70 TYR H . . 5.340 5.147 4.295 5.482 0.142 20 0 "[ . 1 . 2]" 1
551 1 69 THR MG 1 70 TYR H . . 4.000 2.381 1.897 3.324 . 0 0 "[ . 1 . 2]" 1
552 1 105 LEU HA 1 108 GLN H . . 4.150 3.522 3.403 3.593 . 0 0 "[ . 1 . 2]" 1
553 1 108 GLN H 1 108 GLN HB3 . . 3.510 2.732 2.529 2.931 . 0 0 "[ . 1 . 2]" 1
554 1 87 ALA MB 1 89 GLN H . . 3.940 2.514 2.311 2.849 . 0 0 "[ . 1 . 2]" 1
555 1 87 ALA HA 1 89 GLN H . . 4.700 4.269 4.134 4.531 . 0 0 "[ . 1 . 2]" 1
556 1 89 GLN H 1 91 ARG H . . 5.000 4.144 3.788 4.985 . 0 0 "[ . 1 . 2]" 1
557 1 89 GLN H 1 89 GLN HG2 . . 3.840 2.214 1.966 2.862 . 0 0 "[ . 1 . 2]" 1
558 1 89 GLN H 1 89 GLN HG3 . . 3.840 3.134 2.060 3.816 . 0 0 "[ . 1 . 2]" 1
559 1 80 LEU HA 1 82 HIS H . . 4.980 4.541 4.274 4.607 . 0 0 "[ . 1 . 2]" 1
560 1 81 VAL HB 1 82 HIS H . . 3.600 2.623 2.504 3.243 . 0 0 "[ . 1 . 2]" 1
561 1 81 VAL H 1 82 HIS H . . 3.790 2.649 2.600 2.675 . 0 0 "[ . 1 . 2]" 1
562 1 82 HIS H 1 82 HIS HB3 . . 3.170 2.685 2.424 2.933 . 0 0 "[ . 1 . 2]" 1
563 1 82 HIS H 1 82 HIS HB2 . . 3.170 2.395 2.196 2.643 . 0 0 "[ . 1 . 2]" 1
564 1 45 ALA HA 1 48 HIS H . . 4.260 3.826 3.682 4.007 . 0 0 "[ . 1 . 2]" 1
565 1 47 GLU HB2 1 48 HIS H . . 4.870 3.812 2.618 4.159 . 0 0 "[ . 1 . 2]" 1
566 1 48 HIS H 1 49 LEU HG . . 4.410 4.361 4.083 4.489 0.079 1 0 "[ . 1 . 2]" 1
567 1 47 GLU H 1 48 HIS H . . 4.160 2.577 2.511 2.639 . 0 0 "[ . 1 . 2]" 1
568 1 48 HIS H 1 48 HIS HB3 . . 3.520 2.714 2.541 3.336 . 0 0 "[ . 1 . 2]" 1
569 1 48 HIS H 1 48 HIS HB2 . . 3.260 2.385 2.077 2.549 . 0 0 "[ . 1 . 2]" 1
570 1 62 PHE H 1 62 PHE QD . . 4.370 3.995 3.065 4.396 0.026 18 0 "[ . 1 . 2]" 1
571 1 62 PHE H 1 64 ASN H . . 5.160 4.816 4.118 5.280 0.120 19 0 "[ . 1 . 2]" 1
572 1 58 LYS HA 1 62 PHE H . . 4.500 4.154 3.589 4.558 0.058 19 0 "[ . 1 . 2]" 1
573 1 45 ALA MB 1 62 PHE H . . 4.690 4.504 4.242 4.743 0.053 16 0 "[ . 1 . 2]" 1
574 1 61 ALA MB 1 62 PHE H . . 4.140 2.099 1.904 2.324 . 0 0 "[ . 1 . 2]" 1
575 1 59 PHE H 1 59 PHE QB . . 2.970 2.263 2.116 2.478 . 0 0 "[ . 1 . 2]" 1
576 1 59 PHE H 1 59 PHE QD . . 4.330 3.863 2.279 4.223 . 0 0 "[ . 1 . 2]" 1
577 1 38 GLU H 1 38 GLU HB2 . . 4.050 2.351 2.062 2.625 . 0 0 "[ . 1 . 2]" 1
578 1 38 GLU H 1 38 GLU HB3 . . 4.050 3.392 2.521 3.591 . 0 0 "[ . 1 . 2]" 1
579 1 38 GLU H 1 38 GLU HG3 . . 4.810 3.550 2.048 4.473 . 0 0 "[ . 1 . 2]" 1
580 1 36 VAL HA 1 38 GLU H . . 4.930 4.727 4.510 4.819 . 0 0 "[ . 1 . 2]" 1
581 1 59 PHE H 1 60 ARG H . . 3.250 2.463 2.347 2.705 . 0 0 "[ . 1 . 2]" 1
582 1 38 GLU H 1 39 VAL H . . 3.660 2.752 2.708 2.812 . 0 0 "[ . 1 . 2]" 1
583 1 35 THR H 1 38 GLU H . . 4.130 3.739 3.268 4.198 0.068 8 0 "[ . 1 . 2]" 1
584 1 37 ALA MB 1 38 GLU H . . 3.430 2.465 2.369 2.751 . 0 0 "[ . 1 . 2]" 1
585 1 75 ASP H 1 75 ASP HB2 . . 3.650 2.311 2.073 2.427 . 0 0 "[ . 1 . 2]" 1
586 1 74 LYS HB2 1 75 ASP H . . 4.160 3.668 2.739 4.098 . 0 0 "[ . 1 . 2]" 1
587 1 74 LYS HB3 1 75 ASP H . . 4.160 2.609 2.397 3.203 . 0 0 "[ . 1 . 2]" 1
588 1 71 VAL MG2 1 75 ASP H . . 4.040 3.517 3.231 3.809 . 0 0 "[ . 1 . 2]" 1
589 1 74 LYS H 1 75 ASP H . . 3.720 2.726 2.644 2.841 . 0 0 "[ . 1 . 2]" 1
590 1 75 ASP H 1 77 TRP H . . 4.310 4.239 4.056 4.326 0.016 6 0 "[ . 1 . 2]" 1
591 1 60 ARG QG 1 61 ALA H . . 4.400 3.842 3.380 4.375 . 0 0 "[ . 1 . 2]" 1
592 1 78 LYS H 1 78 LYS QG . . 4.750 3.988 3.941 4.029 . 0 0 "[ . 1 . 2]" 1
593 1 78 LYS H 1 78 LYS HB2 . . 3.150 2.604 2.528 2.813 . 0 0 "[ . 1 . 2]" 1
594 1 78 LYS H 1 78 LYS HB3 . . 3.150 2.443 2.262 2.517 . 0 0 "[ . 1 . 2]" 1
595 1 61 ALA H 1 61 ALA MB . . 3.430 2.200 2.059 2.833 . 0 0 "[ . 1 . 2]" 1
596 1 61 ALA H 1 62 PHE H . . 3.400 2.952 2.397 3.235 . 0 0 "[ . 1 . 2]" 1
597 1 77 TRP QB 1 78 LYS H . . 3.420 2.494 2.394 2.861 . 0 0 "[ . 1 . 2]" 1
598 1 75 ASP HA 1 78 LYS H . . 3.930 3.594 3.474 3.739 . 0 0 "[ . 1 . 2]" 1
599 1 61 ALA H 1 62 PHE HA . . 5.250 4.961 4.210 5.294 0.044 16 0 "[ . 1 . 2]" 1
600 1 111 TRP H 1 112 SER H . . 3.410 2.430 2.246 2.549 . 0 0 "[ . 1 . 2]" 1
601 1 112 SER H 1 112 SER QB . . 2.930 2.274 2.148 2.872 . 0 0 "[ . 1 . 2]" 1
602 1 111 TRP HB3 1 112 SER H . . 4.390 4.072 3.794 4.393 0.003 19 0 "[ . 1 . 2]" 1
603 1 109 ALA HA 1 112 SER H . . 4.160 3.256 3.041 3.476 . 0 0 "[ . 1 . 2]" 1
604 1 112 SER HA 1 113 VAL H . . 3.060 2.446 2.138 3.549 0.489 1 0 "[ . 1 . 2]" 1
605 1 113 VAL H 1 113 VAL HB . . 3.760 3.051 2.419 3.758 . 0 0 "[ . 1 . 2]" 1
606 1 24 ASP HA 1 25 PHE H . . 3.230 2.377 2.142 2.923 . 0 0 "[ . 1 . 2]" 1
607 1 25 PHE H 1 25 PHE HB3 . . 4.100 3.326 2.352 4.087 . 0 0 "[ . 1 . 2]" 1
608 1 25 PHE H 1 25 PHE HD1 . . 4.750 4.043 2.321 4.739 . 0 0 "[ . 1 . 2]" 1
609 1 105 LEU MD1 1 106 ALA H . . 5.450 4.375 4.291 4.595 . 0 0 "[ . 1 . 2]" 1
610 1 106 ALA H 1 108 GLN H . . 4.350 4.199 3.989 4.314 . 0 0 "[ . 1 . 2]" 1
611 1 103 ARG H 1 106 ALA H . . 4.880 4.688 4.625 4.779 . 0 0 "[ . 1 . 2]" 1
612 1 106 ALA H 1 106 ALA MB . . 2.810 2.214 2.104 2.233 . 0 0 "[ . 1 . 2]" 1
613 1 37 ALA H 1 37 ALA MB . . 2.780 2.154 2.038 2.251 . 0 0 "[ . 1 . 2]" 1
614 1 37 ALA H 1 38 GLU H . . 3.550 2.630 2.484 2.734 . 0 0 "[ . 1 . 2]" 1
615 1 36 VAL H 1 37 ALA H . . 3.720 2.804 2.742 2.866 . 0 0 "[ . 1 . 2]" 1
616 1 57 VAL H 1 57 VAL HB . . 3.600 3.015 2.496 3.581 . 0 0 "[ . 1 . 2]" 1
617 1 54 TRP HA 1 57 VAL H . . 4.040 3.443 3.182 3.859 . 0 0 "[ . 1 . 2]" 1
618 1 57 VAL H 1 59 PHE H . . 4.440 4.138 3.826 4.399 . 0 0 "[ . 1 . 2]" 1
619 1 57 VAL H 1 57 VAL MG2 . . 4.020 2.910 1.972 3.762 . 0 0 "[ . 1 . 2]" 1
620 1 49 LEU HG 1 57 VAL H . . 5.430 5.439 4.986 5.578 0.148 15 0 "[ . 1 . 2]" 1
621 1 57 VAL H 1 57 VAL MG1 . . 4.020 2.347 1.838 3.769 . 0 0 "[ . 1 . 2]" 1
622 1 49 LEU MD1 1 57 VAL H . . 5.090 2.622 2.287 2.790 . 0 0 "[ . 1 . 2]" 1
623 1 96 VAL H 1 96 VAL HB . . 3.780 3.703 3.649 3.724 . 0 0 "[ . 1 . 2]" 1
624 1 96 VAL H 1 96 VAL MG1 . . 3.210 3.142 3.040 3.211 0.001 12 0 "[ . 1 . 2]" 1
625 1 96 VAL H 1 96 VAL MG2 . . 3.030 2.054 1.910 2.106 . 0 0 "[ . 1 . 2]" 1
626 1 39 VAL HB 1 40 GLU H . . 3.570 2.697 2.538 2.958 . 0 0 "[ . 1 . 2]" 1
627 1 37 ALA HA 1 40 GLU H . . 3.980 3.532 3.321 3.645 . 0 0 "[ . 1 . 2]" 1
628 1 36 VAL HA 1 40 GLU H . . 4.440 3.983 3.814 4.324 . 0 0 "[ . 1 . 2]" 1
629 1 39 VAL MG2 1 40 GLU H . . 4.140 3.883 3.745 4.143 0.003 13 0 "[ . 1 . 2]" 1
630 1 40 GLU H 1 41 LEU H . . 3.690 2.772 2.621 2.871 . 0 0 "[ . 1 . 2]" 1
631 1 39 VAL MG1 1 40 GLU H . . 4.140 3.485 3.144 3.708 . 0 0 "[ . 1 . 2]" 1
632 1 37 ALA MB 1 40 GLU H . . 4.700 4.597 4.446 4.720 0.020 17 0 "[ . 1 . 2]" 1
633 1 40 GLU H 1 40 GLU HB3 . . 3.630 3.223 2.087 3.533 . 0 0 "[ . 1 . 2]" 1
634 1 40 GLU H 1 40 GLU HB2 . . 3.630 2.418 2.140 3.422 . 0 0 "[ . 1 . 2]" 1
635 1 40 GLU H 1 40 GLU HG2 . . 4.160 3.848 2.926 4.111 . 0 0 "[ . 1 . 2]" 1
636 1 84 ALA H 1 85 SER H . . 3.620 2.399 2.317 2.435 . 0 0 "[ . 1 . 2]" 1
637 1 84 ALA H 1 84 ALA MB . . 3.060 2.250 2.111 2.335 . 0 0 "[ . 1 . 2]" 1
638 1 81 VAL HB 1 84 ALA H . . 5.370 5.421 5.374 5.625 0.255 8 0 "[ . 1 . 2]" 1
639 1 81 VAL HA 1 84 ALA H . . 4.400 3.400 3.352 3.482 . 0 0 "[ . 1 . 2]" 1
640 1 83 THR HB 1 84 ALA H . . 3.590 2.889 2.870 2.938 . 0 0 "[ . 1 . 2]" 1
641 1 41 LEU HA 1 44 GLU H . . 3.970 3.635 3.354 3.808 . 0 0 "[ . 1 . 2]" 1
642 1 44 GLU H 1 44 GLU HG2 . . 4.580 4.403 3.132 4.598 0.018 2 0 "[ . 1 . 2]" 1
643 1 43 VAL MG2 1 44 GLU H . . 3.930 3.467 1.898 3.942 0.012 18 0 "[ . 1 . 2]" 1
644 1 35 THR H 1 35 THR MG . . 4.020 3.526 1.913 3.874 . 0 0 "[ . 1 . 2]" 1
645 1 61 ALA H 1 63 GLU H . . 5.500 5.068 2.488 5.573 0.073 8 0 "[ . 1 . 2]" 1
646 1 63 GLU H 1 64 ASN H . . 4.440 2.906 2.530 4.414 . 0 0 "[ . 1 . 2]" 1
647 1 63 GLU H 1 65 VAL H . . 4.820 4.470 3.704 4.947 0.127 10 0 "[ . 1 . 2]" 1
648 1 63 GLU H 1 63 GLU HB2 . . 3.710 3.203 2.415 3.930 0.220 17 0 "[ . 1 . 2]" 1
649 1 63 GLU H 1 63 GLU HB3 . . 3.710 2.837 2.419 3.733 0.023 18 0 "[ . 1 . 2]" 1
650 1 63 GLU H 1 63 GLU HG3 . . 4.790 3.722 2.210 4.615 . 0 0 "[ . 1 . 2]" 1
651 1 63 GLU H 1 63 GLU HG2 . . 4.790 3.589 1.970 4.860 0.070 18 0 "[ . 1 . 2]" 1
652 1 64 ASN HA 1 65 VAL H . . 3.540 3.277 2.589 3.567 0.027 8 0 "[ . 1 . 2]" 1
653 1 62 PHE H 1 63 GLU H . . 3.720 3.105 1.770 3.734 0.014 15 0 "[ . 1 . 2]" 1
654 1 62 PHE HA 1 63 GLU H . . 3.340 2.558 2.150 3.554 0.214 20 0 "[ . 1 . 2]" 1
655 1 59 PHE QB 1 60 ARG H . . 3.630 2.641 2.463 3.062 . 0 0 "[ . 1 . 2]" 1
656 1 60 ARG H 1 60 ARG HB2 . . 3.460 2.604 2.375 2.877 . 0 0 "[ . 1 . 2]" 1
657 1 60 ARG H 1 60 ARG HB3 . . 3.460 2.515 2.360 2.793 . 0 0 "[ . 1 . 2]" 1
658 1 56 ASP HA 1 60 ARG H . . 4.280 3.827 3.549 4.294 0.014 14 0 "[ . 1 . 2]" 1
659 1 59 PHE QD 1 60 ARG H . . 4.490 3.775 3.021 4.524 0.034 11 0 "[ . 1 . 2]" 1
660 1 60 ARG H 1 60 ARG QG . . 4.150 4.006 3.923 4.100 . 0 0 "[ . 1 . 2]" 1
661 1 58 LYS H 1 58 LYS HB2 . . 3.670 2.742 2.192 3.599 . 0 0 "[ . 1 . 2]" 1
662 1 57 VAL MG2 1 58 LYS H . . 4.310 3.001 2.021 3.781 . 0 0 "[ . 1 . 2]" 1
663 1 79 THR HB 1 81 VAL H . . 4.820 4.716 4.685 4.751 . 0 0 "[ . 1 . 2]" 1
664 1 57 VAL MG1 1 58 LYS H . . 4.310 2.921 1.845 3.524 . 0 0 "[ . 1 . 2]" 1
665 1 56 ASP H 1 57 VAL H . . 3.620 2.628 2.475 2.806 . 0 0 "[ . 1 . 2]" 1
666 1 55 ARG H 1 56 ASP H . . 4.030 2.647 2.520 2.804 . 0 0 "[ . 1 . 2]" 1
667 1 54 TRP H 1 56 ASP H . . 4.460 4.180 3.876 4.503 0.043 14 0 "[ . 1 . 2]" 1
668 1 55 ARG QD 1 56 ASP H . . 5.290 4.363 2.603 5.200 . 0 0 "[ . 1 . 2]" 1
669 1 56 ASP H 1 56 ASP HB3 . . 3.940 3.129 2.667 3.599 . 0 0 "[ . 1 . 2]" 1
670 1 56 ASP H 1 56 ASP HB2 . . 3.940 2.319 2.103 2.492 . 0 0 "[ . 1 . 2]" 1
671 1 54 TRP H 1 54 TRP HB2 . . 3.940 3.080 2.631 3.575 . 0 0 "[ . 1 . 2]" 1
672 1 54 TRP H 1 54 TRP HB3 . . 3.940 3.238 2.727 3.599 . 0 0 "[ . 1 . 2]" 1
673 1 54 TRP H 1 54 TRP HD1 . . 3.900 3.353 2.441 3.826 . 0 0 "[ . 1 . 2]" 1
674 1 54 TRP H 1 54 TRP HE1 . . 4.960 4.507 3.962 4.847 . 0 0 "[ . 1 . 2]" 1
675 1 31 ARG HA 1 32 ARG H . . 3.400 2.712 2.141 3.560 0.160 12 0 "[ . 1 . 2]" 1
676 1 109 ALA H 1 109 ALA MB . . 2.860 2.143 2.089 2.226 . 0 0 "[ . 1 . 2]" 1
677 1 108 GLN HB3 1 109 ALA H . . 3.630 2.415 2.348 2.530 . 0 0 "[ . 1 . 2]" 1
678 1 108 GLN HB2 1 109 ALA H . . 3.710 3.647 3.505 3.756 0.046 12 0 "[ . 1 . 2]" 1
679 1 105 LEU HA 1 109 ALA H . . 4.460 4.199 4.016 4.412 . 0 0 "[ . 1 . 2]" 1
680 1 109 ALA H 1 110 TYR HB2 . . 4.670 4.469 4.332 4.674 0.004 14 0 "[ . 1 . 2]" 1
681 1 109 ALA H 1 112 SER H . . 4.830 4.707 4.420 4.958 0.128 15 0 "[ . 1 . 2]" 1
682 1 108 GLN H 1 109 ALA H . . 3.650 2.830 2.767 2.878 . 0 0 "[ . 1 . 2]" 1
683 1 110 TYR H 1 110 TYR HB2 . . 3.410 2.214 2.104 2.316 . 0 0 "[ . 1 . 2]" 1
684 1 110 TYR H 1 110 TYR HB3 . . 3.620 3.288 2.796 3.544 . 0 0 "[ . 1 . 2]" 1
685 1 24 ASP H 1 24 ASP QB . . 3.540 2.734 2.230 3.396 . 0 0 "[ . 1 . 2]" 1
686 1 110 TYR H 1 110 TYR HD1 . . 4.270 3.503 2.358 4.306 0.036 16 0 "[ . 1 . 2]" 1
687 1 110 TYR H 1 112 SER H . . 4.490 3.796 3.703 3.869 . 0 0 "[ . 1 . 2]" 1
688 1 109 ALA H 1 110 TYR H . . 3.450 2.546 2.456 2.643 . 0 0 "[ . 1 . 2]" 1
689 1 91 ARG QB 1 92 ARG H . . 4.190 3.864 3.570 4.049 . 0 0 "[ . 1 . 2]" 1
690 1 106 ALA MB 1 107 ALA H . . 3.600 2.482 2.369 2.575 . 0 0 "[ . 1 . 2]" 1
691 1 107 ALA H 1 108 GLN HB2 . . 4.890 4.812 4.610 4.907 0.017 12 0 "[ . 1 . 2]" 1
692 1 104 VAL HA 1 107 ALA H . . 4.200 3.840 3.748 3.946 . 0 0 "[ . 1 . 2]" 1
693 1 91 ARG H 1 92 ARG H . . 4.430 3.198 2.370 3.924 . 0 0 "[ . 1 . 2]" 1
694 1 106 ALA H 1 107 ALA H . . 3.470 2.793 2.687 2.909 . 0 0 "[ . 1 . 2]" 1
695 1 107 ALA H 1 108 GLN H . . 3.700 2.662 2.581 2.754 . 0 0 "[ . 1 . 2]" 1
696 1 104 VAL HB 1 105 LEU H . . 3.690 3.607 2.485 3.791 0.101 14 0 "[ . 1 . 2]" 1
697 1 103 ARG H 1 105 LEU H . . 4.530 4.016 3.932 4.230 . 0 0 "[ . 1 . 2]" 1
698 1 105 LEU H 1 108 GLN H . . 4.920 4.627 4.503 4.733 . 0 0 "[ . 1 . 2]" 1
699 1 104 VAL MG2 1 105 LEU H . . 3.990 2.114 1.880 3.755 . 0 0 "[ . 1 . 2]" 1
700 1 105 LEU H 1 105 LEU HB2 . . 3.610 2.256 2.133 2.365 . 0 0 "[ . 1 . 2]" 1
701 1 105 LEU H 1 105 LEU HB3 . . 3.610 3.531 3.450 3.575 . 0 0 "[ . 1 . 2]" 1
702 1 105 LEU H 1 105 LEU MD2 . . 4.040 3.564 2.418 3.830 . 0 0 "[ . 1 . 2]" 1
703 1 105 LEU H 1 105 LEU MD1 . . 4.040 3.761 3.603 4.170 0.130 11 0 "[ . 1 . 2]" 1
704 1 105 LEU H 1 106 ALA H . . 3.530 2.669 2.565 2.729 . 0 0 "[ . 1 . 2]" 1
705 1 104 VAL H 1 104 VAL HB . . 3.730 3.518 2.577 3.629 . 0 0 "[ . 1 . 2]" 1
706 1 104 VAL H 1 105 LEU H . . 3.760 2.601 2.498 2.677 . 0 0 "[ . 1 . 2]" 1
707 1 104 VAL H 1 106 ALA H . . 4.570 4.281 4.009 4.382 . 0 0 "[ . 1 . 2]" 1
708 1 104 VAL H 1 104 VAL MG1 . . 4.020 2.405 2.124 3.766 . 0 0 "[ . 1 . 2]" 1
709 1 103 ARG QG 1 104 VAL H . . 4.020 2.003 1.923 2.158 . 0 0 "[ . 1 . 2]" 1
710 1 101 LEU HA 1 105 LEU H . . 4.540 3.780 3.487 3.896 . 0 0 "[ . 1 . 2]" 1
711 1 70 TYR HA 1 74 LYS H . . 4.690 4.349 4.271 4.492 . 0 0 "[ . 1 . 2]" 1
712 1 74 LYS H 1 74 LYS HB3 . . 3.680 2.696 2.272 3.495 . 0 0 "[ . 1 . 2]" 1
713 1 74 LYS H 1 74 LYS HB2 . . 3.680 2.428 2.109 2.798 . 0 0 "[ . 1 . 2]" 1
714 1 46 VAL HB 1 74 LYS H . . 5.060 5.098 4.970 5.238 0.178 15 0 "[ . 1 . 2]" 1
715 1 72 ASP H 1 74 LYS H . . 4.570 4.382 4.212 4.581 0.011 15 0 "[ . 1 . 2]" 1
716 1 73 LEU H 1 74 LYS H . . 3.970 2.719 2.632 2.870 . 0 0 "[ . 1 . 2]" 1
717 1 100 LEU MD1 1 101 LEU H . . 4.620 4.505 4.307 4.681 0.061 16 0 "[ . 1 . 2]" 1
718 1 100 LEU HB2 1 101 LEU H . . 4.460 2.810 2.444 2.989 . 0 0 "[ . 1 . 2]" 1
719 1 101 LEU H 1 101 LEU HB2 . . 3.730 2.478 2.426 2.517 . 0 0 "[ . 1 . 2]" 1
720 1 99 GLU QG 1 101 LEU H . . 4.530 4.375 4.253 4.485 . 0 0 "[ . 1 . 2]" 1
721 1 101 LEU H 1 101 LEU HG . . 4.130 3.955 3.890 4.010 . 0 0 "[ . 1 . 2]" 1
722 1 101 LEU H 1 101 LEU HB3 . . 3.700 3.598 3.588 3.602 . 0 0 "[ . 1 . 2]" 1
723 1 101 LEU H 1 101 LEU MD1 . . 3.860 2.501 2.458 2.566 . 0 0 "[ . 1 . 2]" 1
724 1 101 LEU H 1 101 LEU MD2 . . 3.860 1.933 1.885 2.070 . 0 0 "[ . 1 . 2]" 1
725 1 100 LEU H 1 101 LEU H . . 3.390 2.668 2.506 2.775 . 0 0 "[ . 1 . 2]" 1
726 1 99 GLU H 1 100 LEU H . . 3.630 2.761 2.678 2.858 . 0 0 "[ . 1 . 2]" 1
727 1 100 LEU H 1 100 LEU HB2 . . 3.640 2.233 2.081 2.608 . 0 0 "[ . 1 . 2]" 1
728 1 99 GLU HB2 1 100 LEU H . . 4.610 3.782 3.542 4.047 . 0 0 "[ . 1 . 2]" 1
729 1 86 ILE H 1 86 ILE QG . . 2.940 1.983 1.943 2.078 . 0 0 "[ . 1 . 2]" 1
730 1 86 ILE H 1 86 ILE HB . . 3.730 3.615 3.578 3.682 . 0 0 "[ . 1 . 2]" 1
731 1 83 THR HA 1 86 ILE H . . 3.930 3.462 3.343 3.570 . 0 0 "[ . 1 . 2]" 1
732 1 85 SER H 1 86 ILE H . . 3.290 2.078 1.898 2.127 . 0 0 "[ . 1 . 2]" 1
733 1 100 LEU H 1 100 LEU HB3 . . 3.640 3.467 3.377 3.597 . 0 0 "[ . 1 . 2]" 1
734 1 100 LEU H 1 100 LEU MD1 . . 3.930 3.468 2.258 4.037 0.107 18 0 "[ . 1 . 2]" 1
735 1 100 LEU H 1 100 LEU MD2 . . 3.930 2.857 2.170 3.892 . 0 0 "[ . 1 . 2]" 1
736 1 100 LEU H 1 100 LEU HG . . 4.260 3.630 2.269 4.316 0.056 12 0 "[ . 1 . 2]" 1
737 1 93 GLY HA2 1 94 ALA H . . 3.530 2.881 2.259 3.568 0.038 13 0 "[ . 1 . 2]" 1
738 1 93 GLY HA3 1 94 ALA H . . 3.530 2.485 2.144 3.568 0.038 11 0 "[ . 1 . 2]" 1
739 1 72 ASP H 1 72 ASP HB2 . . 3.750 2.352 2.075 2.588 . 0 0 "[ . 1 . 2]" 1
740 1 72 ASP H 1 72 ASP HB3 . . 3.750 3.055 2.545 3.594 . 0 0 "[ . 1 . 2]" 1
741 1 69 THR MG 1 72 ASP H . . 3.900 3.391 3.067 3.925 0.025 20 0 "[ . 1 . 2]" 1
742 1 71 VAL H 1 72 ASP H . . 3.660 2.639 2.562 2.747 . 0 0 "[ . 1 . 2]" 1
743 1 69 THR H 1 72 ASP H . . 4.730 3.892 3.390 4.415 . 0 0 "[ . 1 . 2]" 1
744 1 69 THR HB 1 72 ASP H . . 4.210 2.316 1.963 2.519 . 0 0 "[ . 1 . 2]" 1
745 1 72 ASP H 1 73 LEU HA . . 5.500 5.266 5.152 5.361 . 0 0 "[ . 1 . 2]" 1
746 1 88 PRO QD 1 91 ARG H . . 5.500 5.239 4.937 5.594 0.094 20 0 "[ . 1 . 2]" 1
747 1 91 ARG H 1 91 ARG QB . . 3.310 2.534 2.117 3.149 . 0 0 "[ . 1 . 2]" 1
748 1 90 GLN H 1 91 ARG H . . 3.170 2.294 1.894 2.923 . 0 0 "[ . 1 . 2]" 1
749 1 89 GLN H 1 90 GLN H . . 3.920 2.557 2.325 2.733 . 0 0 "[ . 1 . 2]" 1
750 1 90 GLN H 1 92 ARG H . . 5.500 4.826 3.500 5.511 0.011 6 0 "[ . 1 . 2]" 1
751 1 88 PRO HA 1 90 GLN H . . 4.840 3.892 3.567 4.213 . 0 0 "[ . 1 . 2]" 1
752 1 88 PRO QD 1 90 GLN H . . 5.460 4.217 4.042 4.557 . 0 0 "[ . 1 . 2]" 1
753 1 90 GLN H 1 90 GLN HB3 . . 3.860 3.649 3.361 3.806 . 0 0 "[ . 1 . 2]" 1
754 1 90 GLN H 1 90 GLN HB2 . . 3.860 2.597 2.375 3.746 . 0 0 "[ . 1 . 2]" 1
755 1 87 ALA MB 1 90 GLN H . . 4.070 2.872 2.525 3.456 . 0 0 "[ . 1 . 2]" 1
756 1 86 ILE H 1 86 ILE MG . . 3.470 2.480 2.383 2.796 . 0 0 "[ . 1 . 2]" 1
757 1 86 ILE H 1 86 ILE MD . . 3.880 3.647 3.621 3.723 . 0 0 "[ . 1 . 2]" 1
758 1 83 THR HA 1 85 SER H . . 4.460 3.780 3.757 3.830 . 0 0 "[ . 1 . 2]" 1
759 1 85 SER H 1 85 SER HB2 . . 3.890 3.043 2.434 3.779 . 0 0 "[ . 1 . 2]" 1
760 1 82 HIS H 1 83 THR H . . 3.590 2.680 2.589 2.737 . 0 0 "[ . 1 . 2]" 1
761 1 81 VAL H 1 83 THR H . . 4.510 4.063 4.011 4.156 . 0 0 "[ . 1 . 2]" 1
762 1 83 THR H 1 83 THR MG . . 3.800 3.773 3.767 3.778 . 0 0 "[ . 1 . 2]" 1
763 1 83 THR H 1 84 ALA MB . . 4.270 4.217 4.132 4.268 . 0 0 "[ . 1 . 2]" 1
764 1 81 VAL HB 1 83 THR H . . 5.470 5.032 4.917 5.481 0.011 8 0 "[ . 1 . 2]" 1
765 1 83 THR H 1 86 ILE MG . . 4.320 4.361 4.335 4.405 0.085 8 0 "[ . 1 . 2]" 1
766 1 83 THR H 1 84 ALA H . . 3.670 2.501 2.462 2.557 . 0 0 "[ . 1 . 2]" 1
767 1 83 THR H 1 83 THR HB . . 3.290 2.574 2.493 2.657 . 0 0 "[ . 1 . 2]" 1
768 1 58 LYS H 1 58 LYS HB3 . . 3.670 2.498 2.237 2.930 . 0 0 "[ . 1 . 2]" 1
769 1 81 VAL H 1 81 VAL HB . . 3.730 2.340 2.104 2.459 . 0 0 "[ . 1 . 2]" 1
770 1 81 VAL H 1 81 VAL MG2 . . 3.540 2.582 2.336 3.347 . 0 0 "[ . 1 . 2]" 1
771 1 79 THR MG 1 80 LEU H . . 4.300 3.426 3.212 3.668 . 0 0 "[ . 1 . 2]" 1
772 1 80 LEU H 1 80 LEU HB2 . . 3.800 3.429 3.404 3.450 . 0 0 "[ . 1 . 2]" 1
773 1 80 LEU H 1 81 VAL HA . . 5.370 5.283 5.248 5.306 . 0 0 "[ . 1 . 2]" 1
774 1 79 THR HB 1 80 LEU H . . 3.870 2.350 2.315 2.393 . 0 0 "[ . 1 . 2]" 1
775 1 80 LEU H 1 80 LEU HG . . 3.690 3.216 3.148 3.290 . 0 0 "[ . 1 . 2]" 1
776 1 80 LEU H 1 81 VAL H . . 3.680 2.686 2.648 2.712 . 0 0 "[ . 1 . 2]" 1
777 1 79 THR H 1 80 LEU H . . 3.450 2.773 2.657 2.832 . 0 0 "[ . 1 . 2]" 1
778 1 79 THR H 1 79 THR HB . . 3.310 2.656 2.537 2.810 . 0 0 "[ . 1 . 2]" 1
779 1 78 LYS HB2 1 79 THR H . . 4.200 3.897 3.807 3.989 . 0 0 "[ . 1 . 2]" 1
780 1 79 THR H 1 79 THR MG . . 3.910 3.757 3.731 3.767 . 0 0 "[ . 1 . 2]" 1
781 1 78 LYS H 1 79 THR H . . 3.560 2.765 2.676 2.856 . 0 0 "[ . 1 . 2]" 1
782 1 77 TRP H 1 77 TRP QB . . 3.220 2.209 2.062 2.246 . 0 0 "[ . 1 . 2]" 1
783 1 42 LEU H 1 42 LEU HB3 . . 3.550 2.295 2.104 2.583 . 0 0 "[ . 1 . 2]" 1
784 1 41 LEU H 1 42 LEU H . . 3.430 2.666 2.470 2.771 . 0 0 "[ . 1 . 2]" 1
785 1 77 TRP H 1 78 LYS H . . 3.570 2.732 2.638 2.835 . 0 0 "[ . 1 . 2]" 1
786 1 76 LYS H 1 77 TRP H . . 3.520 2.696 2.595 2.755 . 0 0 "[ . 1 . 2]" 1
787 1 76 LYS H 1 77 TRP QB . . 4.460 4.417 4.332 4.496 0.036 17 0 "[ . 1 . 2]" 1
788 1 76 LYS H 1 76 LYS HB2 . . 3.810 2.315 2.060 2.608 . 0 0 "[ . 1 . 2]" 1
789 1 76 LYS H 1 76 LYS HB3 . . 3.810 3.070 2.447 3.536 . 0 0 "[ . 1 . 2]" 1
790 1 42 LEU MD1 1 76 LYS H . . 4.480 4.127 3.869 4.489 0.009 14 0 "[ . 1 . 2]" 1
791 1 74 LYS HA 1 76 LYS H . . 4.710 4.404 4.347 4.447 . 0 0 "[ . 1 . 2]" 1
792 1 75 ASP H 1 76 LYS H . . 3.790 2.613 2.544 2.653 . 0 0 "[ . 1 . 2]" 1
793 1 103 ARG H 1 106 ALA MB . . 4.770 4.662 4.498 4.778 0.008 7 0 "[ . 1 . 2]" 1
794 1 103 ARG H 1 104 VAL HA . . 5.420 5.186 5.111 5.249 . 0 0 "[ . 1 . 2]" 1
795 1 103 ARG H 1 104 VAL H . . 3.700 2.550 2.452 2.631 . 0 0 "[ . 1 . 2]" 1
796 1 72 ASP HB2 1 73 LEU H . . 4.260 3.362 2.581 3.942 . 0 0 "[ . 1 . 2]" 1
797 1 72 ASP HB3 1 73 LEU H . . 4.260 2.996 2.507 3.791 . 0 0 "[ . 1 . 2]" 1
798 1 73 LEU H 1 73 LEU HB3 . . 4.110 3.576 3.554 3.594 . 0 0 "[ . 1 . 2]" 1
799 1 73 LEU H 1 73 LEU MD1 . . 4.060 3.279 2.173 4.038 . 0 0 "[ . 1 . 2]" 1
800 1 70 TYR HA 1 73 LEU H . . 4.530 3.579 3.438 3.722 . 0 0 "[ . 1 . 2]" 1
801 1 72 ASP H 1 73 LEU H . . 3.970 2.656 2.548 2.770 . 0 0 "[ . 1 . 2]" 1
802 1 73 LEU H 1 73 LEU HB2 . . 4.110 2.500 2.311 2.752 . 0 0 "[ . 1 . 2]" 1
803 1 73 LEU H 1 73 LEU HG . . 3.870 2.591 2.060 3.201 . 0 0 "[ . 1 . 2]" 1
804 1 69 THR H 1 73 LEU HG . . 5.500 4.343 3.609 5.332 . 0 0 "[ . 1 . 2]" 1
805 1 118 ARG H 1 119 ILE H . . 4.610 4.062 2.032 4.612 0.002 4 0 "[ . 1 . 2]" 1
806 1 84 ALA MB 1 85 SER H . . 3.620 3.187 3.136 3.275 . 0 0 "[ . 1 . 2]" 1
807 1 50 GLY H 1 111 TRP HE1 . . 4.550 3.739 3.273 4.111 . 0 0 "[ . 1 . 2]" 1
808 1 49 LEU HG 1 50 GLY H . . 4.500 4.388 4.039 4.530 0.030 6 0 "[ . 1 . 2]" 1
809 1 46 VAL MG2 1 50 GLY H . . 4.420 4.080 3.923 4.291 . 0 0 "[ . 1 . 2]" 1
810 1 46 VAL MG1 1 50 GLY H . . 5.500 5.166 4.926 5.350 . 0 0 "[ . 1 . 2]" 1
811 1 51 THR H 1 52 GLY H . . 3.740 3.180 1.892 3.748 0.008 19 0 "[ . 1 . 2]" 1
812 1 51 THR H 1 111 TRP HD1 . . 5.500 5.383 4.948 5.519 0.019 18 0 "[ . 1 . 2]" 1
813 1 50 GLY H 1 51 THR H . . 4.790 4.321 3.348 4.644 . 0 0 "[ . 1 . 2]" 1
814 1 51 THR H 1 111 TRP HB2 . . 5.500 5.424 4.922 5.525 0.025 19 0 "[ . 1 . 2]" 1
815 1 51 THR H 1 51 THR MG . . 4.380 2.876 1.935 4.047 . 0 0 "[ . 1 . 2]" 1
816 1 46 VAL MG2 1 51 THR H . . 5.500 5.093 2.511 5.548 0.048 14 0 "[ . 1 . 2]" 1
817 1 51 THR H 1 51 THR HB . . 4.130 3.296 2.675 3.992 . 0 0 "[ . 1 . 2]" 1
818 1 48 HIS H 1 49 LEU H . . 3.820 2.691 2.505 2.786 . 0 0 "[ . 1 . 2]" 1
819 1 46 VAL HA 1 49 LEU H . . 4.000 3.639 3.438 3.761 . 0 0 "[ . 1 . 2]" 1
820 1 49 LEU H 1 50 GLY H . . 3.860 2.169 2.036 2.374 . 0 0 "[ . 1 . 2]" 1
821 1 46 VAL MG1 1 49 LEU H . . 5.200 5.076 4.967 5.202 0.002 19 0 "[ . 1 . 2]" 1
822 1 49 LEU H 1 49 LEU HB2 . . 3.960 2.632 2.488 2.785 . 0 0 "[ . 1 . 2]" 1
823 1 49 LEU H 1 49 LEU HG . . 3.730 2.481 2.208 2.671 . 0 0 "[ . 1 . 2]" 1
824 1 49 LEU H 1 49 LEU HB3 . . 3.960 3.699 3.635 3.722 . 0 0 "[ . 1 . 2]" 1
825 1 49 LEU H 1 49 LEU MD1 . . 4.160 3.411 3.126 3.871 . 0 0 "[ . 1 . 2]" 1
826 1 46 VAL H 1 47 GLU H . . 3.840 2.479 2.423 2.554 . 0 0 "[ . 1 . 2]" 1
827 1 46 VAL H 1 46 VAL HB . . 3.470 2.799 2.666 2.918 . 0 0 "[ . 1 . 2]" 1
828 1 43 VAL HA 1 46 VAL H . . 3.880 3.568 3.418 3.706 . 0 0 "[ . 1 . 2]" 1
829 1 45 ALA H 1 46 VAL H . . 3.400 2.639 2.534 2.766 . 0 0 "[ . 1 . 2]" 1
830 1 45 ALA H 1 61 ALA MB . . 4.030 3.947 3.519 4.208 0.178 17 0 "[ . 1 . 2]" 1
831 1 44 GLU HB3 1 45 ALA H . . 3.480 2.932 2.772 3.537 0.057 10 0 "[ . 1 . 2]" 1
832 1 45 ALA H 1 46 VAL MG1 . . 4.400 3.617 3.462 3.779 . 0 0 "[ . 1 . 2]" 1
833 1 45 ALA H 1 46 VAL HA . . 5.500 5.253 5.180 5.352 . 0 0 "[ . 1 . 2]" 1
834 1 45 ALA H 1 48 HIS HB2 . . 5.500 5.263 4.949 5.350 . 0 0 "[ . 1 . 2]" 1
835 1 44 GLU H 1 44 GLU HB2 . . 3.470 2.591 2.222 3.430 . 0 0 "[ . 1 . 2]" 1
836 1 43 VAL HB 1 44 GLU H . . 3.610 2.913 2.447 3.871 0.261 5 0 "[ . 1 . 2]" 1
837 1 44 GLU H 1 44 GLU HB3 . . 3.720 2.501 2.120 2.884 . 0 0 "[ . 1 . 2]" 1
838 1 44 GLU H 1 45 ALA H . . 3.230 2.581 2.435 2.647 . 0 0 "[ . 1 . 2]" 1
839 1 43 VAL H 1 44 GLU H . . 3.510 2.742 2.507 2.850 . 0 0 "[ . 1 . 2]" 1
840 1 42 LEU H 1 42 LEU HB2 . . 3.550 2.754 2.425 3.017 . 0 0 "[ . 1 . 2]" 1
841 1 42 LEU H 1 42 LEU HG . . 4.760 4.286 4.005 4.615 . 0 0 "[ . 1 . 2]" 1
842 1 42 LEU HG 1 77 TRP H . . 5.490 4.683 3.661 5.097 . 0 0 "[ . 1 . 2]" 1
843 1 46 VAL H 1 46 VAL MG2 . . 3.880 3.744 3.690 3.771 . 0 0 "[ . 1 . 2]" 1
844 1 42 LEU H 1 43 VAL H . . 3.640 2.880 2.674 3.063 . 0 0 "[ . 1 . 2]" 1
845 1 41 LEU H 1 41 LEU HG . . 3.410 2.202 1.924 2.387 . 0 0 "[ . 1 . 2]" 1
846 1 41 LEU H 1 41 LEU HB3 . . 3.670 3.585 3.576 3.607 . 0 0 "[ . 1 . 2]" 1
847 1 40 GLU HB2 1 41 LEU H . . 4.080 2.926 2.552 4.153 0.073 10 0 "[ . 1 . 2]" 1
848 1 41 LEU H 1 41 LEU MD2 . . 3.790 3.647 3.263 3.799 0.009 6 0 "[ . 1 . 2]" 1
849 1 41 LEU H 1 41 LEU MD1 . . 3.570 3.123 2.809 3.314 . 0 0 "[ . 1 . 2]" 1
850 1 41 LEU H 1 41 LEU HB2 . . 3.670 2.538 2.423 2.700 . 0 0 "[ . 1 . 2]" 1
851 1 39 VAL H 1 40 GLU H . . 3.020 2.620 2.472 2.704 . 0 0 "[ . 1 . 2]" 1
852 1 37 ALA HA 1 39 VAL H . . 4.830 4.600 4.296 4.767 . 0 0 "[ . 1 . 2]" 1
853 1 56 ASP HA 1 59 PHE H . . 3.710 3.618 3.470 3.806 0.096 8 0 "[ . 1 . 2]" 1
854 1 35 THR H 1 35 THR HB . . 3.500 2.869 2.708 3.121 . 0 0 "[ . 1 . 2]" 1
855 1 35 THR HB 1 36 VAL H . . 3.740 3.501 3.117 3.730 . 0 0 "[ . 1 . 2]" 1
856 1 35 THR H 1 36 VAL H . . 4.820 4.558 4.492 4.647 . 0 0 "[ . 1 . 2]" 1
857 1 34 PHE H 1 35 THR H . . 5.350 4.516 4.357 4.632 . 0 0 "[ . 1 . 2]" 1
858 1 34 PHE HA 1 35 THR H . . 3.220 2.392 2.147 2.415 . 0 0 "[ . 1 . 2]" 1
859 1 29 ARG HA 1 30 ILE H . . 2.780 2.421 2.139 2.769 . 0 0 "[ . 1 . 2]" 1
860 1 30 ILE H 1 30 ILE HB . . 3.070 2.676 2.307 3.414 0.344 10 0 "[ . 1 . 2]" 1
861 1 26 GLY H 1 27 GLN HA . . 4.920 4.762 4.401 5.108 0.188 18 0 "[ . 1 . 2]" 1
862 1 25 PHE H 1 26 GLY H . . 5.500 4.052 2.409 4.598 . 0 0 "[ . 1 . 2]" 1
863 1 26 GLY H 1 27 GLN H . . 4.460 3.675 2.295 4.398 . 0 0 "[ . 1 . 2]" 1
864 1 27 GLN H 1 27 GLN QG . . 4.350 3.044 1.950 4.224 . 0 0 "[ . 1 . 2]" 1
865 1 27 GLN H 1 27 GLN HB3 . . 4.090 3.396 2.741 4.015 . 0 0 "[ . 1 . 2]" 1
866 1 27 GLN H 1 27 GLN HB2 . . 4.090 3.095 2.247 3.998 . 0 0 "[ . 1 . 2]" 1
867 1 121 THR HA 1 122 LEU H . . 3.560 3.064 2.373 3.554 . 0 0 "[ . 1 . 2]" 1
868 1 110 TYR HB3 1 111 TRP H . . 3.290 3.034 2.528 3.317 0.027 6 0 "[ . 1 . 2]" 1
869 1 110 TYR HB2 1 111 TRP H . . 3.710 3.062 2.733 3.695 . 0 0 "[ . 1 . 2]" 1
870 1 111 TRP H 1 111 TRP HB2 . . 3.770 2.464 2.214 2.729 . 0 0 "[ . 1 . 2]" 1
871 1 107 ALA MB 1 111 TRP H . . 5.500 4.460 4.224 4.643 . 0 0 "[ . 1 . 2]" 1
872 1 109 ALA MB 1 111 TRP H . . 5.500 4.629 4.470 4.726 . 0 0 "[ . 1 . 2]" 1
873 1 111 TRP H 1 111 TRP HD1 . . 4.140 3.536 3.292 3.711 . 0 0 "[ . 1 . 2]" 1
874 1 110 TYR H 1 111 TRP H . . 3.520 2.707 2.565 2.836 . 0 0 "[ . 1 . 2]" 1
875 1 111 TRP HA 1 112 SER H . . 3.420 3.391 3.187 3.434 0.014 6 0 "[ . 1 . 2]" 1
876 1 112 SER QB 1 113 VAL H . . 3.900 3.505 1.945 3.949 0.049 2 0 "[ . 1 . 2]" 1
877 1 113 VAL H 1 114 ASP H . . 3.700 2.656 1.912 3.819 0.119 5 0 "[ . 1 . 2]" 1
878 1 114 ASP H 1 114 ASP QB . . 3.280 2.796 2.498 3.115 . 0 0 "[ . 1 . 2]" 1
879 1 113 VAL HB 1 114 ASP H . . 4.100 3.570 1.973 4.318 0.218 5 0 "[ . 1 . 2]" 1
880 1 114 ASP QB 1 115 SER H . . 4.690 3.486 2.048 4.001 . 0 0 "[ . 1 . 2]" 1
881 1 115 SER QB 1 116 SER H . . 4.980 3.031 2.081 4.015 . 0 0 "[ . 1 . 2]" 1
882 1 117 GLY H 1 118 ARG H . . 4.760 3.838 1.967 4.643 . 0 0 "[ . 1 . 2]" 1
883 1 115 SER H 1 116 SER H . . 5.500 3.932 2.242 4.646 . 0 0 "[ . 1 . 2]" 1
884 1 116 SER H 1 117 GLY H . . 5.500 4.273 2.506 4.623 . 0 0 "[ . 1 . 2]" 1
885 1 119 ILE H 1 119 ILE HG13 . . 4.150 3.162 2.322 4.412 0.262 9 0 "[ . 1 . 2]" 1
886 1 119 ILE H 1 119 ILE MG . . 4.090 3.131 1.876 3.888 . 0 0 "[ . 1 . 2]" 1
887 1 119 ILE H 1 119 ILE MD . . 4.670 3.515 2.078 4.590 . 0 0 "[ . 1 . 2]" 1
888 1 119 ILE H 1 119 ILE HG12 . . 4.150 2.481 1.955 4.259 0.109 9 0 "[ . 1 . 2]" 1
889 1 118 ARG HA 1 119 ILE H . . 2.770 2.584 2.207 2.965 0.195 5 0 "[ . 1 . 2]" 1
890 1 120 VAL HB 1 121 THR H . . 4.270 3.653 2.075 4.430 0.160 5 0 "[ . 1 . 2]" 1
891 1 121 THR H 1 121 THR HB . . 3.080 2.818 2.573 3.080 0.000 16 0 "[ . 1 . 2]" 1
892 1 121 THR H 1 122 LEU H . . 3.360 2.691 1.995 3.361 0.001 1 0 "[ . 1 . 2]" 1
893 1 30 ILE H 1 31 ARG H . . 4.650 4.112 1.987 4.591 . 0 0 "[ . 1 . 2]" 1
894 1 30 ILE MD 1 31 ARG H . . 4.450 3.811 3.391 4.599 0.149 8 0 "[ . 1 . 2]" 1
895 1 31 ARG H 1 32 ARG HA . . 5.270 5.071 4.496 5.274 0.004 13 0 "[ . 1 . 2]" 1
896 1 68 ARG H 1 69 THR H . . 4.470 3.801 2.632 4.490 0.020 5 0 "[ . 1 . 2]" 1
897 1 60 ARG H 1 61 ALA H . . 3.690 2.639 2.267 3.243 . 0 0 "[ . 1 . 2]" 1
898 1 102 ASP H 1 103 ARG H . . 3.500 2.489 2.424 2.584 . 0 0 "[ . 1 . 2]" 1
899 1 72 ASP HA 1 76 LYS H . . 4.280 3.826 3.674 4.086 . 0 0 "[ . 1 . 2]" 1
900 1 53 ARG HA 1 55 ARG H . . 4.250 3.925 3.196 4.276 0.026 15 0 "[ . 1 . 2]" 1
901 1 55 ARG H 1 55 ARG HG3 . . 4.720 3.759 2.043 4.476 . 0 0 "[ . 1 . 2]" 1
902 1 55 ARG H 1 55 ARG HG2 . . 4.720 3.025 1.949 4.598 . 0 0 "[ . 1 . 2]" 1
903 1 53 ARG H 1 54 TRP H . . 4.650 4.373 2.778 4.635 . 0 0 "[ . 1 . 2]" 1
904 1 52 GLY H 1 53 ARG H . . 4.330 3.695 2.451 4.343 0.013 8 0 "[ . 1 . 2]" 1
905 1 117 GLY QA 1 118 ARG H . . 3.250 2.280 2.128 2.862 . 0 0 "[ . 1 . 2]" 1
906 1 53 ARG H 1 53 ARG HB2 . . 4.180 2.531 2.097 3.715 . 0 0 "[ . 1 . 2]" 1
907 1 9 SER QB 1 10 LEU H . . 4.410 3.319 2.170 3.994 . 0 0 "[ . 1 . 2]" 1
908 1 13 ALA H 1 14 ASN H . . 4.510 4.035 2.293 4.504 . 0 0 "[ . 1 . 2]" 1
909 1 53 ARG H 1 53 ARG HB3 . . 4.180 3.620 3.134 3.985 . 0 0 "[ . 1 . 2]" 1
910 1 54 TRP H 1 55 ARG H . . 4.600 2.636 2.501 2.777 . 0 0 "[ . 1 . 2]" 1
911 1 95 PRO HB2 1 96 VAL H . . 4.660 4.169 3.920 4.288 . 0 0 "[ . 1 . 2]" 1
912 1 95 PRO HA 1 96 VAL H . . 2.650 2.350 2.189 2.464 . 0 0 "[ . 1 . 2]" 1
913 1 88 PRO QG 1 89 GLN H . . 4.000 2.330 1.992 2.528 . 0 0 "[ . 1 . 2]" 1
914 1 29 ARG H 1 29 ARG QG . . 4.250 2.974 2.044 4.253 0.003 3 0 "[ . 1 . 2]" 1
915 1 28 ARG H 1 28 ARG QG . . 4.010 3.075 1.943 4.019 0.009 20 0 "[ . 1 . 2]" 1
916 1 47 GLU H 1 111 TRP HE1 . . 5.500 5.399 5.152 5.557 0.057 20 0 "[ . 1 . 2]" 1
917 1 47 GLU HA 1 111 TRP HE1 . . 3.560 2.671 2.449 2.837 . 0 0 "[ . 1 . 2]" 1
918 1 46 VAL MG2 1 111 TRP HE1 . . 5.460 5.246 4.787 5.483 0.023 10 0 "[ . 1 . 2]" 1
919 1 50 GLY HA3 1 111 TRP HE1 . . 4.580 3.865 3.227 4.561 . 0 0 "[ . 1 . 2]" 1
920 1 50 GLY HA2 1 111 TRP HE1 . . 4.580 2.822 2.328 3.472 . 0 0 "[ . 1 . 2]" 1
921 1 48 HIS HA 1 111 TRP HE1 . . 5.300 5.148 4.589 5.453 0.153 16 0 "[ . 1 . 2]" 1
922 1 77 TRP HE1 1 108 GLN HB2 . . 4.280 3.891 3.323 4.296 0.016 12 0 "[ . 1 . 2]" 1
923 1 77 TRP HE1 1 81 VAL HB . . 5.500 5.402 4.184 5.542 0.042 5 0 "[ . 1 . 2]" 1
924 1 77 TRP QB 1 77 TRP HE1 . . 4.770 4.479 4.440 4.508 . 0 0 "[ . 1 . 2]" 1
925 1 27 GLN HA 1 28 ARG H . . 3.500 2.423 2.142 2.975 . 0 0 "[ . 1 . 2]" 1
926 1 28 ARG H 1 28 ARG HB3 . . 4.000 3.125 2.575 3.782 . 0 0 "[ . 1 . 2]" 1
927 1 28 ARG H 1 28 ARG HB2 . . 4.000 2.942 2.267 3.904 . 0 0 "[ . 1 . 2]" 1
928 1 28 ARG HA 1 29 ARG H . . 3.200 2.563 2.141 3.061 . 0 0 "[ . 1 . 2]" 1
929 1 30 ILE H 1 30 ILE HG12 . . 4.190 2.660 1.951 4.179 . 0 0 "[ . 1 . 2]" 1
930 1 30 ILE H 1 30 ILE HG13 . . 4.190 3.791 2.876 4.220 0.030 10 0 "[ . 1 . 2]" 1
931 1 30 ILE H 1 30 ILE MG . . 4.270 3.841 3.681 4.024 . 0 0 "[ . 1 . 2]" 1
932 1 30 ILE H 1 30 ILE MD . . 4.490 3.298 2.104 4.176 . 0 0 "[ . 1 . 2]" 1
933 1 80 LEU H 1 80 LEU HB3 . . 3.230 2.106 2.086 2.126 . 0 0 "[ . 1 . 2]" 1
934 1 31 ARG H 1 31 ARG QG . . 3.810 3.116 1.941 3.925 0.115 12 0 "[ . 1 . 2]" 1
935 1 32 ARG H 1 32 ARG HB2 . . 3.940 2.352 2.146 2.988 . 0 0 "[ . 1 . 2]" 1
936 1 32 ARG H 1 32 ARG HB3 . . 3.940 3.357 2.454 3.608 . 0 0 "[ . 1 . 2]" 1
937 1 32 ARG H 1 32 ARG QG . . 3.980 3.270 2.697 4.009 0.029 20 0 "[ . 1 . 2]" 1
938 1 18 SER HA 1 19 ARG H . . 3.020 2.531 2.183 3.549 0.529 6 1 "[ .+ 1 . 2]" 1
939 1 71 VAL MG2 1 74 LYS H . . 4.650 4.711 4.510 4.814 0.164 13 0 "[ . 1 . 2]" 1
940 1 103 ARG H 1 103 ARG QG . . 3.810 1.977 1.903 2.472 . 0 0 "[ . 1 . 2]" 1
941 1 55 ARG H 1 55 ARG QD . . 5.100 3.921 3.124 4.704 . 0 0 "[ . 1 . 2]" 1
942 1 55 ARG H 1 55 ARG HB3 . . 3.990 2.543 2.268 3.594 . 0 0 "[ . 1 . 2]" 1
943 1 55 ARG H 1 55 ARG HB2 . . 3.990 3.202 2.386 3.595 . 0 0 "[ . 1 . 2]" 1
944 1 55 ARG HB3 1 56 ASP H . . 4.090 3.539 2.481 4.079 . 0 0 "[ . 1 . 2]" 1
945 1 55 ARG HB2 1 56 ASP H . . 4.090 3.844 2.752 4.126 0.036 15 0 "[ . 1 . 2]" 1
946 1 71 VAL HA 1 74 LYS H . . 4.390 3.589 3.401 3.710 . 0 0 "[ . 1 . 2]" 1
947 1 71 VAL HA 1 75 ASP H . . 4.370 3.750 3.580 4.098 . 0 0 "[ . 1 . 2]" 1
948 1 108 GLN H 1 108 GLN HB2 . . 3.240 2.340 2.185 2.518 . 0 0 "[ . 1 . 2]" 1
949 1 25 PHE H 1 25 PHE QB . . 3.500 2.799 2.308 3.378 . 0 0 "[ . 1 . 2]" 1
950 1 26 GLY QA 1 27 GLN HA . . 4.070 3.973 3.930 4.158 0.088 18 0 "[ . 1 . 2]" 1
951 1 28 ARG H 1 28 ARG QB . . 3.490 2.547 2.224 3.126 . 0 0 "[ . 1 . 2]" 1
952 1 28 ARG QB 1 29 ARG H . . 4.100 3.369 2.172 4.035 . 0 0 "[ . 1 . 2]" 1
953 1 30 ILE H 1 30 ILE QG . . 3.650 2.509 1.942 3.474 . 0 0 "[ . 1 . 2]" 1
954 1 31 ARG H 1 31 ARG QB . . 3.440 2.480 2.129 3.401 . 0 0 "[ . 1 . 2]" 1
955 1 31 ARG QB 1 32 ARG H . . 4.180 2.970 1.926 3.950 . 0 0 "[ . 1 . 2]" 1
956 1 32 ARG H 1 32 ARG QB . . 3.430 2.246 2.126 2.386 . 0 0 "[ . 1 . 2]" 1
957 1 34 PHE HA 1 39 VAL QG . . 4.350 3.949 3.564 4.229 . 0 0 "[ . 1 . 2]" 1
958 1 34 PHE QB 1 39 VAL QG . . 3.360 1.911 1.752 2.526 . 0 0 "[ . 1 . 2]" 1
959 1 34 PHE HD1 1 39 VAL QG . . 4.120 2.988 2.371 4.301 0.181 13 0 "[ . 1 . 2]" 1
960 1 35 THR H 1 38 GLU QB . . 3.430 2.222 1.924 2.690 . 0 0 "[ . 1 . 2]" 1
961 1 35 THR H 1 38 GLU QG . . 4.520 3.423 2.828 4.202 . 0 0 "[ . 1 . 2]" 1
962 1 35 THR H 1 39 VAL QG . . 4.420 3.347 3.011 3.981 . 0 0 "[ . 1 . 2]" 1
963 1 35 THR HA 1 36 VAL QG . . 3.870 3.831 3.606 3.920 0.050 16 0 "[ . 1 . 2]" 1
964 1 36 VAL H 1 36 VAL QG . . 2.990 1.971 1.905 2.072 . 0 0 "[ . 1 . 2]" 1
965 1 36 VAL HA 1 100 LEU QD . . 3.890 2.932 2.071 3.922 0.032 11 0 "[ . 1 . 2]" 1
966 1 36 VAL QG 1 37 ALA HA . . 3.830 3.114 3.045 3.628 . 0 0 "[ . 1 . 2]" 1
967 1 36 VAL QG 1 37 ALA MB . . 3.410 2.846 2.675 3.771 0.361 12 0 "[ . 1 . 2]" 1
968 1 36 VAL QG 1 38 GLU H . . 5.120 4.121 3.926 4.551 . 0 0 "[ . 1 . 2]" 1
969 1 36 VAL QG 1 96 VAL HA . . 4.830 4.645 2.321 4.877 0.047 16 0 "[ . 1 . 2]" 1
970 1 36 VAL QG 1 97 PRO HG3 . . 3.270 2.439 1.896 3.233 . 0 0 "[ . 1 . 2]" 1
971 1 36 VAL QG 1 97 PRO HD2 . . 4.110 3.501 2.367 3.830 . 0 0 "[ . 1 . 2]" 1
972 1 36 VAL QG 1 97 PRO HD3 . . 3.850 3.303 1.890 3.845 . 0 0 "[ . 1 . 2]" 1
973 1 37 ALA HA 1 40 GLU QB . . 3.530 2.481 2.193 2.639 . 0 0 "[ . 1 . 2]" 1
974 1 37 ALA MB 1 38 GLU QB . . 5.010 4.094 3.701 4.386 . 0 0 "[ . 1 . 2]" 1
975 1 37 ALA MB 1 38 GLU QG . . 5.300 3.952 3.034 5.279 . 0 0 "[ . 1 . 2]" 1
976 1 37 ALA MB 1 40 GLU QB . . 4.030 3.934 3.716 4.111 0.081 10 0 "[ . 1 . 2]" 1
977 1 38 GLU H 1 38 GLU QB . . 3.230 2.290 2.041 2.564 . 0 0 "[ . 1 . 2]" 1
978 1 38 GLU H 1 38 GLU QG . . 3.980 3.008 1.931 4.000 0.020 20 0 "[ . 1 . 2]" 1
979 1 38 GLU H 1 39 VAL QG . . 5.440 4.234 4.025 4.603 . 0 0 "[ . 1 . 2]" 1
980 1 38 GLU QB 1 39 VAL HA . . 4.500 3.871 3.735 4.122 . 0 0 "[ . 1 . 2]" 1
981 1 38 GLU QB 1 39 VAL HB . . 4.940 4.644 4.332 4.772 . 0 0 "[ . 1 . 2]" 1
982 1 38 GLU QB 1 39 VAL QG . . 3.950 3.102 2.923 3.346 . 0 0 "[ . 1 . 2]" 1
983 1 39 VAL H 1 39 VAL QG . . 3.080 2.285 2.041 2.577 . 0 0 "[ . 1 . 2]" 1
984 1 39 VAL H 1 42 LEU QB . . 5.030 4.620 4.425 4.919 . 0 0 "[ . 1 . 2]" 1
985 1 39 VAL HA 1 39 VAL QG . . 2.740 2.080 2.017 2.117 . 0 0 "[ . 1 . 2]" 1
986 1 39 VAL HA 1 42 LEU QB . . 3.850 2.459 2.209 2.792 . 0 0 "[ . 1 . 2]" 1
987 1 39 VAL HA 1 42 LEU QD . . 3.960 2.978 2.646 3.623 . 0 0 "[ . 1 . 2]" 1
988 1 39 VAL HA 1 80 LEU QD . . 4.760 4.416 3.833 4.768 0.008 20 0 "[ . 1 . 2]" 1
989 1 39 VAL HB 1 40 GLU QB . . 4.830 4.438 4.060 4.646 . 0 0 "[ . 1 . 2]" 1
990 1 39 VAL HB 1 100 LEU QD . . 4.170 2.625 1.942 3.226 . 0 0 "[ . 1 . 2]" 1
991 1 39 VAL QG 1 40 GLU H . . 3.590 3.241 3.022 3.361 . 0 0 "[ . 1 . 2]" 1
992 1 39 VAL QG 1 40 GLU HA . . 3.660 3.448 3.124 3.684 0.024 6 0 "[ . 1 . 2]" 1
993 1 39 VAL QG 1 43 VAL QG . . 2.750 2.119 1.851 2.696 . 0 0 "[ . 1 . 2]" 1
994 1 39 VAL QG 1 77 TRP HA . . 5.300 4.801 4.103 5.239 . 0 0 "[ . 1 . 2]" 1
995 1 39 VAL QG 1 80 LEU HB3 . . 4.680 4.266 3.556 4.695 0.015 1 0 "[ . 1 . 2]" 1
996 1 39 VAL QG 1 80 LEU QD . . 2.810 2.406 1.831 2.725 . 0 0 "[ . 1 . 2]" 1
997 1 39 VAL QG 1 100 LEU QB . . 3.320 3.141 2.615 3.373 0.053 18 0 "[ . 1 . 2]" 1
998 1 40 GLU H 1 40 GLU QB . . 3.100 2.161 2.061 2.231 . 0 0 "[ . 1 . 2]" 1
999 1 40 GLU H 1 40 GLU QG . . 3.320 2.913 2.665 3.645 0.325 13 0 "[ . 1 . 2]" 1
1000 1 40 GLU H 1 42 LEU QB . . 5.140 4.737 4.514 4.959 . 0 0 "[ . 1 . 2]" 1
1001 1 40 GLU H 1 100 LEU QD . . 4.470 3.479 2.614 4.071 . 0 0 "[ . 1 . 2]" 1
1002 1 40 GLU HA 1 40 GLU QG . . 3.260 2.445 2.097 3.200 . 0 0 "[ . 1 . 2]" 1
1003 1 40 GLU HA 1 43 VAL QG . . 3.920 3.146 2.107 3.922 0.002 8 0 "[ . 1 . 2]" 1
1004 1 40 GLU HA 1 100 LEU QD . . 3.780 2.972 1.856 3.781 0.001 8 0 "[ . 1 . 2]" 1
1005 1 40 GLU QB 1 41 LEU H . . 3.360 2.605 2.440 3.304 . 0 0 "[ . 1 . 2]" 1
1006 1 40 GLU QB 1 41 LEU HG . . 4.000 3.343 3.068 4.074 0.074 12 0 "[ . 1 . 2]" 1
1007 1 40 GLU QB 1 100 LEU QD . . 4.400 3.440 1.866 4.252 . 0 0 "[ . 1 . 2]" 1
1008 1 40 GLU QG 1 100 LEU QD . . 3.400 2.486 1.876 3.590 0.190 10 0 "[ . 1 . 2]" 1
1009 1 41 LEU H 1 42 LEU QB . . 5.340 4.334 4.116 4.451 . 0 0 "[ . 1 . 2]" 1
1010 1 41 LEU QB 1 41 LEU MD2 . . 2.880 2.097 1.968 2.206 . 0 0 "[ . 1 . 2]" 1
1011 1 41 LEU QB 1 42 LEU H . . 4.210 2.495 2.373 2.660 . 0 0 "[ . 1 . 2]" 1
1012 1 41 LEU QB 1 45 ALA MB . . 4.580 4.092 3.870 4.353 . 0 0 "[ . 1 . 2]" 1
1013 1 41 LEU QB 1 61 ALA MB . . 3.740 3.336 2.692 3.756 0.016 16 0 "[ . 1 . 2]" 1
1014 1 41 LEU QB 1 65 VAL QG . . 4.620 4.598 4.000 4.905 0.285 19 0 "[ . 1 . 2]" 1
1015 1 41 LEU MD2 1 65 VAL QG . . 5.420 5.024 3.799 5.456 0.036 12 0 "[ . 1 . 2]" 1
1016 1 42 LEU H 1 42 LEU QD . . 4.350 3.691 3.557 3.746 . 0 0 "[ . 1 . 2]" 1
1017 1 42 LEU H 1 43 VAL QG . . 4.600 4.126 3.538 4.480 . 0 0 "[ . 1 . 2]" 1
1018 1 42 LEU HA 1 42 LEU QD . . 3.250 2.518 1.995 3.156 . 0 0 "[ . 1 . 2]" 1
1019 1 42 LEU HA 1 57 VAL QG . . 4.150 4.103 3.524 4.373 0.223 3 0 "[ . 1 . 2]" 1
1020 1 42 LEU HA 1 73 LEU QD . . 5.370 2.990 2.470 3.625 . 0 0 "[ . 1 . 2]" 1
1021 1 42 LEU QB 1 42 LEU QD . . 2.830 1.891 1.784 1.955 . 0 0 "[ . 1 . 2]" 1
1022 1 42 LEU QB 1 43 VAL H . . 4.060 2.400 1.988 2.897 . 0 0 "[ . 1 . 2]" 1
1023 1 42 LEU QB 1 43 VAL QG . . 4.070 3.222 2.797 3.849 . 0 0 "[ . 1 . 2]" 1
1024 1 42 LEU QB 1 73 LEU QD . . 4.450 3.036 2.073 3.623 . 0 0 "[ . 1 . 2]" 1
1025 1 42 LEU HG 1 43 VAL QG . . 4.490 3.381 2.252 4.541 0.051 20 0 "[ . 1 . 2]" 1
1026 1 42 LEU QD 1 43 VAL H . . 4.420 2.986 2.280 3.754 . 0 0 "[ . 1 . 2]" 1
1027 1 42 LEU QD 1 43 VAL HA . . 4.260 2.994 2.303 3.722 . 0 0 "[ . 1 . 2]" 1
1028 1 42 LEU QD 1 46 VAL HA . . 5.440 5.087 4.148 5.497 0.057 19 0 "[ . 1 . 2]" 1
1029 1 42 LEU QD 1 46 VAL MG1 . . 3.030 2.473 1.744 2.897 . 0 0 "[ . 1 . 2]" 1
1030 1 42 LEU QD 1 46 VAL MG2 . . 4.360 4.170 3.530 4.449 0.089 6 0 "[ . 1 . 2]" 1
1031 1 42 LEU QD 1 73 LEU HA . . 3.640 1.974 1.862 2.526 . 0 0 "[ . 1 . 2]" 1
1032 1 42 LEU QD 1 73 LEU QB . . 4.440 2.194 1.859 2.875 . 0 0 "[ . 1 . 2]" 1
1033 1 42 LEU QD 1 73 LEU QD . . 3.620 2.009 1.811 2.501 . 0 0 "[ . 1 . 2]" 1
1034 1 42 LEU QD 1 75 ASP H . . 5.440 4.909 4.682 5.148 . 0 0 "[ . 1 . 2]" 1
1035 1 42 LEU QD 1 76 LYS HA . . 4.520 4.122 3.907 4.388 . 0 0 "[ . 1 . 2]" 1
1036 1 42 LEU QD 1 76 LYS QB . . 3.760 1.956 1.764 2.342 . 0 0 "[ . 1 . 2]" 1
1037 1 42 LEU QD 1 77 TRP H . . 3.600 2.876 2.256 3.278 . 0 0 "[ . 1 . 2]" 1
1038 1 42 LEU QD 1 77 TRP HA . . 4.200 3.226 2.513 3.689 . 0 0 "[ . 1 . 2]" 1
1039 1 42 LEU QD 1 77 TRP QB . . 3.610 2.551 1.896 3.083 . 0 0 "[ . 1 . 2]" 1
1040 1 42 LEU QD 1 80 LEU HG . . 5.440 5.177 4.672 5.461 0.021 14 0 "[ . 1 . 2]" 1
1041 1 42 LEU QD 1 80 LEU QD . . 3.780 2.963 2.581 3.157 . 0 0 "[ . 1 . 2]" 1
1042 1 43 VAL H 1 43 VAL QG . . 3.030 2.060 1.828 2.468 . 0 0 "[ . 1 . 2]" 1
1043 1 43 VAL H 1 80 LEU QD . . 4.780 4.369 4.062 4.794 0.014 1 0 "[ . 1 . 2]" 1
1044 1 43 VAL HA 1 43 VAL QG . . 2.800 2.172 2.091 2.329 . 0 0 "[ . 1 . 2]" 1
1045 1 43 VAL QG 1 44 GLU HA . . 4.580 3.343 3.024 3.576 . 0 0 "[ . 1 . 2]" 1
1046 1 43 VAL QG 1 46 VAL MG1 . . 4.070 2.981 2.737 3.383 . 0 0 "[ . 1 . 2]" 1
1047 1 43 VAL QG 1 47 GLU H . . 4.720 3.908 3.563 4.550 . 0 0 "[ . 1 . 2]" 1
1048 1 43 VAL QG 1 47 GLU QG . . 4.440 3.846 2.230 4.653 0.213 19 0 "[ . 1 . 2]" 1
1049 1 43 VAL QG 1 77 TRP HD1 . . 3.560 2.255 1.760 3.298 . 0 0 "[ . 1 . 2]" 1
1050 1 43 VAL QG 1 80 LEU QD . . 3.250 1.985 1.753 2.904 . 0 0 "[ . 1 . 2]" 1
1051 1 43 VAL QG 1 103 ARG QG . . 3.230 2.583 2.007 3.242 0.012 4 0 "[ . 1 . 2]" 1
1052 1 43 VAL QG 1 104 VAL H . . 5.030 3.678 3.355 4.273 . 0 0 "[ . 1 . 2]" 1
1053 1 43 VAL QG 1 104 VAL HA . . 3.750 2.937 2.254 3.882 0.132 19 0 "[ . 1 . 2]" 1
1054 1 43 VAL QG 1 104 VAL QG . . 2.920 1.693 1.591 1.811 . 0 0 "[ . 1 . 2]" 1
1055 1 44 GLU HA 1 44 GLU QG . . 3.380 2.554 2.283 3.193 . 0 0 "[ . 1 . 2]" 1
1056 1 44 GLU HA 1 47 GLU QB . . 3.680 2.465 2.129 3.224 . 0 0 "[ . 1 . 2]" 1
1057 1 44 GLU HA 1 47 GLU QG . . 4.660 3.687 1.863 4.253 . 0 0 "[ . 1 . 2]" 1
1058 1 44 GLU QG 1 45 ALA HA . . 5.280 3.790 2.967 4.584 . 0 0 "[ . 1 . 2]" 1
1059 1 45 ALA HA 1 49 LEU QD . . 4.790 3.877 3.097 4.154 . 0 0 "[ . 1 . 2]" 1
1060 1 45 ALA MB 1 49 LEU QD . . 3.910 3.526 2.658 3.833 . 0 0 "[ . 1 . 2]" 1
1061 1 45 ALA MB 1 57 VAL QG . . 2.930 2.141 1.714 2.850 . 0 0 "[ . 1 . 2]" 1
1062 1 45 ALA MB 1 73 LEU QD . . 3.550 3.007 2.523 3.187 . 0 0 "[ . 1 . 2]" 1
1063 1 46 VAL HA 1 49 LEU QB . . 4.430 3.357 3.040 3.642 . 0 0 "[ . 1 . 2]" 1
1064 1 46 VAL HA 1 49 LEU QD . . 3.860 3.171 2.583 3.651 . 0 0 "[ . 1 . 2]" 1
1065 1 46 VAL HA 1 57 VAL QG . . 3.640 2.117 1.896 2.563 . 0 0 "[ . 1 . 2]" 1
1066 1 46 VAL HB 1 57 VAL QG . . 3.760 2.294 1.866 2.679 . 0 0 "[ . 1 . 2]" 1
1067 1 46 VAL MG1 1 57 VAL QG . . 3.560 3.203 2.789 3.666 0.106 15 0 "[ . 1 . 2]" 1
1068 1 46 VAL MG2 1 47 GLU QG . . 5.340 5.109 3.686 5.496 0.156 20 0 "[ . 1 . 2]" 1
1069 1 46 VAL MG2 1 57 VAL QG . . 3.830 2.859 2.308 3.200 . 0 0 "[ . 1 . 2]" 1
1070 1 47 GLU H 1 47 GLU QB . . 3.200 2.236 2.153 2.270 . 0 0 "[ . 1 . 2]" 1
1071 1 47 GLU H 1 47 GLU QG . . 4.100 3.696 2.625 4.056 . 0 0 "[ . 1 . 2]" 1
1072 1 47 GLU HA 1 47 GLU QG . . 3.490 2.684 2.294 3.448 . 0 0 "[ . 1 . 2]" 1
1073 1 47 GLU QB 1 48 HIS H . . 4.140 2.676 2.385 3.503 . 0 0 "[ . 1 . 2]" 1
1074 1 47 GLU QB 1 111 TRP HE1 . . 4.950 3.718 2.816 4.324 . 0 0 "[ . 1 . 2]" 1
1075 1 47 GLU QG 1 48 HIS H . . 4.840 3.483 2.139 4.434 . 0 0 "[ . 1 . 2]" 1
1076 1 47 GLU QG 1 111 TRP HE1 . . 5.230 2.825 1.878 4.854 . 0 0 "[ . 1 . 2]" 1
1077 1 48 HIS HA 1 49 LEU QD . . 5.150 4.886 4.386 5.127 . 0 0 "[ . 1 . 2]" 1
1078 1 48 HIS HB2 1 49 LEU QD . . 4.960 4.606 4.081 4.801 . 0 0 "[ . 1 . 2]" 1
1079 1 48 HIS HB3 1 49 LEU QB . . 5.340 4.484 4.367 4.658 . 0 0 "[ . 1 . 2]" 1
1080 1 48 HIS HB3 1 49 LEU QD . . 4.140 3.370 2.947 3.583 . 0 0 "[ . 1 . 2]" 1
1081 1 49 LEU H 1 49 LEU QB . . 3.470 2.578 2.448 2.709 . 0 0 "[ . 1 . 2]" 1
1082 1 49 LEU H 1 49 LEU QD . . 3.550 3.150 3.014 3.353 . 0 0 "[ . 1 . 2]" 1
1083 1 49 LEU H 1 50 GLY QA . . 4.830 4.093 3.981 4.287 . 0 0 "[ . 1 . 2]" 1
1084 1 49 LEU H 1 57 VAL QG . . 5.140 4.320 3.763 5.019 . 0 0 "[ . 1 . 2]" 1
1085 1 49 LEU HA 1 49 LEU QD . . 3.000 2.453 2.125 2.613 . 0 0 "[ . 1 . 2]" 1
1086 1 49 LEU QB 1 49 LEU QD . . 2.850 1.857 1.790 1.923 . 0 0 "[ . 1 . 2]" 1
1087 1 49 LEU QB 1 57 VAL HA . . 5.060 4.398 3.848 5.222 0.162 10 0 "[ . 1 . 2]" 1
1088 1 49 LEU QB 1 57 VAL QG . . 3.640 3.174 2.426 3.977 0.337 14 0 "[ . 1 . 2]" 1
1089 1 49 LEU QD 1 54 TRP HA . . 5.110 4.645 3.435 5.219 0.109 14 0 "[ . 1 . 2]" 1
1090 1 49 LEU QD 1 56 ASP H . . 4.500 3.743 3.190 4.064 . 0 0 "[ . 1 . 2]" 1
1091 1 49 LEU QD 1 56 ASP HA . . 4.210 3.347 3.199 3.644 . 0 0 "[ . 1 . 2]" 1
1092 1 49 LEU QD 1 56 ASP QB . . 4.060 1.774 1.607 1.906 . 0 0 "[ . 1 . 2]" 1
1093 1 49 LEU QD 1 57 VAL H . . 3.880 2.609 2.276 2.776 . 0 0 "[ . 1 . 2]" 1
1094 1 49 LEU QD 1 57 VAL HA . . 3.610 2.028 1.864 2.607 . 0 0 "[ . 1 . 2]" 1
1095 1 49 LEU QD 1 57 VAL QG . . 3.270 2.182 1.713 3.005 . 0 0 "[ . 1 . 2]" 1
1096 1 49 LEU QD 1 60 ARG H . . 4.380 3.790 3.445 4.422 0.042 10 0 "[ . 1 . 2]" 1
1097 1 49 LEU QD 1 60 ARG HA . . 5.440 4.698 4.077 5.503 0.063 10 0 "[ . 1 . 2]" 1
1098 1 49 LEU QD 1 60 ARG QB . . 3.940 2.499 1.899 3.288 . 0 0 "[ . 1 . 2]" 1
1099 1 49 LEU QD 1 61 ALA MB . . 5.350 4.956 4.157 5.430 0.080 10 0 "[ . 1 . 2]" 1
1100 1 50 GLY H 1 57 VAL QG . . 5.440 5.132 4.803 5.545 0.105 14 0 "[ . 1 . 2]" 1
1101 1 50 GLY QA 1 52 GLY H . . 5.220 4.161 3.047 4.881 . 0 0 "[ . 1 . 2]" 1
1102 1 50 GLY QA 1 111 TRP HE1 . . 3.980 2.745 2.299 3.199 . 0 0 "[ . 1 . 2]" 1
1103 1 53 ARG H 1 53 ARG QB . . 3.530 2.476 2.078 3.415 . 0 0 "[ . 1 . 2]" 1
1104 1 53 ARG H 1 53 ARG QG . . 4.030 2.911 2.127 3.970 . 0 0 "[ . 1 . 2]" 1
1105 1 53 ARG HA 1 53 ARG QG . . 3.490 2.455 2.176 2.796 . 0 0 "[ . 1 . 2]" 1
1106 1 53 ARG QB 1 55 ARG QG . . 5.070 3.112 1.902 5.107 0.037 8 0 "[ . 1 . 2]" 1
1107 1 53 ARG QB 1 56 ASP H . . 4.360 2.622 2.307 2.879 . 0 0 "[ . 1 . 2]" 1
1108 1 53 ARG QB 1 56 ASP QB . . 4.090 2.505 1.863 3.165 . 0 0 "[ . 1 . 2]" 1
1109 1 54 TRP H 1 54 TRP QB . . 3.410 2.658 2.569 2.840 . 0 0 "[ . 1 . 2]" 1
1110 1 54 TRP HA 1 57 VAL QG . . 3.790 2.116 1.886 2.538 . 0 0 "[ . 1 . 2]" 1
1111 1 54 TRP QB 1 57 VAL H . . 5.340 4.803 4.397 5.301 . 0 0 "[ . 1 . 2]" 1
1112 1 54 TRP QB 1 70 TYR QB . . 4.570 1.938 1.860 2.155 . 0 0 "[ . 1 . 2]" 1
1113 1 55 ARG H 1 55 ARG QG . . 4.110 2.780 1.936 4.003 . 0 0 "[ . 1 . 2]" 1
1114 1 55 ARG H 1 70 TYR QB . . 5.320 3.502 2.663 3.973 . 0 0 "[ . 1 . 2]" 1
1115 1 55 ARG HA 1 70 TYR QB . . 3.910 2.592 1.943 3.087 . 0 0 "[ . 1 . 2]" 1
1116 1 55 ARG QB 1 70 TYR QB . . 4.480 3.744 2.716 4.354 . 0 0 "[ . 1 . 2]" 1
1117 1 55 ARG QG 1 56 ASP H . . 4.150 2.775 1.932 4.115 . 0 0 "[ . 1 . 2]" 1
1118 1 56 ASP H 1 56 ASP QB . . 3.260 2.246 2.084 2.449 . 0 0 "[ . 1 . 2]" 1
1119 1 56 ASP H 1 70 TYR QB . . 5.340 4.953 4.389 5.432 0.092 20 0 "[ . 1 . 2]" 1
1120 1 56 ASP QB 1 57 VAL QG . . 4.350 3.235 2.812 3.708 . 0 0 "[ . 1 . 2]" 1
1121 1 57 VAL H 1 57 VAL QG . . 3.310 1.909 1.810 2.194 . 0 0 "[ . 1 . 2]" 1
1122 1 57 VAL H 1 58 LYS QB . . 5.030 4.369 4.239 4.549 . 0 0 "[ . 1 . 2]" 1
1123 1 57 VAL H 1 70 TYR QB . . 5.340 4.918 4.271 5.473 0.133 17 0 "[ . 1 . 2]" 1
1124 1 57 VAL H 1 73 LEU QD . . 5.440 4.928 4.599 5.387 . 0 0 "[ . 1 . 2]" 1
1125 1 57 VAL QG 1 58 LYS HA . . 3.770 3.081 2.899 3.440 . 0 0 "[ . 1 . 2]" 1
1126 1 57 VAL QG 1 59 PHE H . . 5.440 4.195 3.926 4.600 . 0 0 "[ . 1 . 2]" 1
1127 1 57 VAL QG 1 73 LEU H . . 4.710 4.420 4.166 4.687 . 0 0 "[ . 1 . 2]" 1
1128 1 57 VAL QG 1 73 LEU QB . . 3.520 2.190 1.964 2.496 . 0 0 "[ . 1 . 2]" 1
1129 1 57 VAL QG 1 73 LEU HG . . 3.840 3.812 3.507 3.967 0.127 15 0 "[ . 1 . 2]" 1
1130 1 57 VAL QG 1 73 LEU QD . . 3.010 1.985 1.840 2.342 . 0 0 "[ . 1 . 2]" 1
1131 1 58 LYS H 1 58 LYS QB . . 3.090 2.250 2.133 2.402 . 0 0 "[ . 1 . 2]" 1
1132 1 58 LYS H 1 73 LEU QD . . 3.840 3.396 3.102 3.829 . 0 0 "[ . 1 . 2]" 1
1133 1 58 LYS HA 1 73 LEU QD . . 3.320 1.916 1.721 2.206 . 0 0 "[ . 1 . 2]" 1
1134 1 58 LYS QB 1 70 TYR QB . . 4.230 2.478 1.892 3.557 . 0 0 "[ . 1 . 2]" 1
1135 1 58 LYS QB 1 73 LEU QD . . 3.810 2.656 1.737 3.501 . 0 0 "[ . 1 . 2]" 1
1136 1 59 PHE H 1 60 ARG QB . . 4.700 4.225 4.111 4.494 . 0 0 "[ . 1 . 2]" 1
1137 1 59 PHE H 1 73 LEU QD . . 4.920 4.560 4.217 4.797 . 0 0 "[ . 1 . 2]" 1
1138 1 59 PHE HA 1 63 GLU QB . . 3.970 2.498 1.907 3.150 . 0 0 "[ . 1 . 2]" 1
1139 1 59 PHE HA 1 63 GLU QG . . 4.520 3.766 2.541 4.583 0.063 8 0 "[ . 1 . 2]" 1
1140 1 59 PHE QB 1 60 ARG QB . . 4.880 3.917 3.590 4.090 . 0 0 "[ . 1 . 2]" 1
1141 1 59 PHE QB 1 63 GLU QB . . 4.380 3.865 3.438 4.392 0.012 10 0 "[ . 1 . 2]" 1
1142 1 59 PHE QD 1 63 GLU QG . . 4.190 3.420 2.453 4.196 0.006 14 0 "[ . 1 . 2]" 1
1143 1 60 ARG H 1 60 ARG QB . . 2.960 2.265 2.223 2.483 . 0 0 "[ . 1 . 2]" 1
1144 1 61 ALA H 1 73 LEU QD . . 4.770 4.114 3.483 4.803 0.033 12 0 "[ . 1 . 2]" 1
1145 1 61 ALA HA 1 73 LEU QD . . 5.440 4.693 4.059 5.525 0.085 15 0 "[ . 1 . 2]" 1
1146 1 61 ALA MB 1 73 LEU QD . . 3.460 2.410 1.841 3.010 . 0 0 "[ . 1 . 2]" 1
1147 1 62 PHE H 1 63 GLU QB . . 5.300 4.451 3.423 4.958 . 0 0 "[ . 1 . 2]" 1
1148 1 62 PHE H 1 65 VAL QG . . 4.730 4.299 3.606 4.946 0.216 19 0 "[ . 1 . 2]" 1
1149 1 62 PHE H 1 73 LEU QD . . 4.790 3.990 3.203 4.801 0.011 18 0 "[ . 1 . 2]" 1
1150 1 62 PHE QB 1 65 VAL QG . . 4.980 2.172 1.712 3.637 . 0 0 "[ . 1 . 2]" 1
1151 1 62 PHE QD 1 65 VAL QG . . 4.150 2.892 1.898 4.177 0.027 18 0 "[ . 1 . 2]" 1
1152 1 63 GLU H 1 63 GLU QG . . 4.060 3.176 1.932 4.075 0.015 18 0 "[ . 1 . 2]" 1
1153 1 63 GLU HA 1 63 GLU QG . . 3.490 2.897 2.317 3.441 . 0 0 "[ . 1 . 2]" 1
1154 1 63 GLU HA 1 64 ASN QB . . 5.340 4.855 4.213 5.316 . 0 0 "[ . 1 . 2]" 1
1155 1 63 GLU QB 1 64 ASN H . . 4.390 3.709 3.018 4.049 . 0 0 "[ . 1 . 2]" 1
1156 1 63 GLU QG 1 64 ASN H . . 4.540 3.598 1.926 4.434 . 0 0 "[ . 1 . 2]" 1
1157 1 63 GLU QG 1 64 ASN HA . . 4.300 4.172 3.676 4.478 0.178 19 0 "[ . 1 . 2]" 1
1158 1 64 ASN H 1 65 VAL QG . . 5.120 3.340 2.646 4.820 . 0 0 "[ . 1 . 2]" 1
1159 1 65 VAL H 1 65 VAL QG . . 3.170 2.113 1.834 3.071 . 0 0 "[ . 1 . 2]" 1
1160 1 65 VAL QG 1 67 HIS QB . . 4.820 4.008 2.152 4.977 0.157 18 0 "[ . 1 . 2]" 1
1161 1 69 THR H 1 72 ASP QB . . 3.790 2.354 1.927 2.732 . 0 0 "[ . 1 . 2]" 1
1162 1 70 TYR H 1 70 TYR QB . . 3.660 2.600 2.473 2.806 . 0 0 "[ . 1 . 2]" 1
1163 1 70 TYR HA 1 73 LEU QB . . 4.900 3.220 2.812 3.856 . 0 0 "[ . 1 . 2]" 1
1164 1 70 TYR HA 1 73 LEU QD . . 3.600 2.698 1.933 3.711 0.111 17 0 "[ . 1 . 2]" 1
1165 1 70 TYR QB 1 73 LEU QD . . 5.100 3.999 3.516 4.878 . 0 0 "[ . 1 . 2]" 1
1166 1 71 VAL HA 1 74 LYS QB . . 4.430 2.877 2.607 3.175 . 0 0 "[ . 1 . 2]" 1
1167 1 71 VAL MG1 1 72 ASP QB . . 3.980 3.258 2.950 3.788 . 0 0 "[ . 1 . 2]" 1
1168 1 71 VAL MG1 1 75 ASP QB . . 4.560 4.169 3.917 4.518 . 0 0 "[ . 1 . 2]" 1
1169 1 71 VAL MG2 1 74 LYS QB . . 4.260 3.672 3.172 4.033 . 0 0 "[ . 1 . 2]" 1
1170 1 71 VAL MG2 1 75 ASP QB . . 4.220 2.702 2.359 3.217 . 0 0 "[ . 1 . 2]" 1
1171 1 72 ASP H 1 72 ASP QB . . 3.240 2.243 2.050 2.533 . 0 0 "[ . 1 . 2]" 1
1172 1 72 ASP HA 1 75 ASP QB . . 3.190 2.807 2.345 3.158 . 0 0 "[ . 1 . 2]" 1
1173 1 72 ASP QB 1 73 LEU H . . 3.660 2.626 2.464 2.931 . 0 0 "[ . 1 . 2]" 1
1174 1 72 ASP QB 1 73 LEU QD . . 4.860 2.784 2.184 3.453 . 0 0 "[ . 1 . 2]" 1
1175 1 72 ASP QB 1 74 LYS H . . 5.340 4.931 4.731 5.173 . 0 0 "[ . 1 . 2]" 1
1176 1 73 LEU HA 1 73 LEU QD . . 3.160 2.376 1.885 3.043 . 0 0 "[ . 1 . 2]" 1
1177 1 73 LEU HA 1 76 LYS QB . . 4.030 2.582 2.303 2.969 . 0 0 "[ . 1 . 2]" 1
1178 1 73 LEU QB 1 74 LYS H . . 4.390 2.322 2.204 2.426 . 0 0 "[ . 1 . 2]" 1
1179 1 74 LYS H 1 75 ASP QB . . 5.170 4.484 4.400 4.563 . 0 0 "[ . 1 . 2]" 1
1180 1 74 LYS QB 1 75 ASP H . . 3.470 2.515 2.364 2.777 . 0 0 "[ . 1 . 2]" 1
1181 1 74 LYS QB 1 75 ASP HA . . 4.990 4.057 3.770 4.409 . 0 0 "[ . 1 . 2]" 1
1182 1 75 ASP H 1 75 ASP QB . . 3.070 2.203 2.052 2.245 . 0 0 "[ . 1 . 2]" 1
1183 1 75 ASP HA 1 78 LYS QB . . 3.310 2.737 2.526 2.925 . 0 0 "[ . 1 . 2]" 1
1184 1 75 ASP QB 1 76 LYS H . . 3.810 2.647 2.605 2.771 . 0 0 "[ . 1 . 2]" 1
1185 1 76 LYS H 1 76 LYS QB . . 3.290 2.196 2.039 2.249 . 0 0 "[ . 1 . 2]" 1
1186 1 76 LYS QB 1 80 LEU QD . . 4.300 3.851 3.283 4.308 0.008 1 0 "[ . 1 . 2]" 1
1187 1 77 TRP HA 1 80 LEU QD . . 3.650 1.915 1.879 1.981 . 0 0 "[ . 1 . 2]" 1
1188 1 77 TRP QB 1 78 LYS QB . . 4.620 4.016 3.905 4.340 . 0 0 "[ . 1 . 2]" 1
1189 1 77 TRP QB 1 80 LEU QD . . 4.860 3.242 3.054 3.362 . 0 0 "[ . 1 . 2]" 1
1190 1 77 TRP QB 1 81 VAL QG . . 4.540 4.060 3.848 4.676 0.136 8 0 "[ . 1 . 2]" 1
1191 1 77 TRP QB 1 104 VAL QG . . 4.750 4.406 3.655 4.757 0.007 14 0 "[ . 1 . 2]" 1
1192 1 77 TRP HD1 1 104 VAL QG . . 3.480 2.564 2.037 3.486 0.006 15 0 "[ . 1 . 2]" 1
1193 1 77 TRP HE1 1 81 VAL QG . . 3.560 2.767 2.152 3.432 . 0 0 "[ . 1 . 2]" 1
1194 1 78 LYS H 1 81 VAL QG . . 5.440 4.253 3.996 4.755 . 0 0 "[ . 1 . 2]" 1
1195 1 78 LYS HA 1 78 LYS QD . . 3.690 2.889 1.995 3.767 0.077 12 0 "[ . 1 . 2]" 1
1196 1 78 LYS HA 1 81 VAL QG . . 3.490 2.804 2.482 3.154 . 0 0 "[ . 1 . 2]" 1
1197 1 78 LYS QB 1 78 LYS QD . . 3.070 2.202 2.017 2.359 . 0 0 "[ . 1 . 2]" 1
1198 1 78 LYS QG 1 81 VAL QG . . 5.240 4.190 3.583 4.696 . 0 0 "[ . 1 . 2]" 1
1199 1 79 THR H 1 80 LEU QD . . 5.440 4.888 4.794 4.937 . 0 0 "[ . 1 . 2]" 1
1200 1 79 THR H 1 81 VAL QG . . 5.440 4.782 4.647 5.003 . 0 0 "[ . 1 . 2]" 1
1201 1 79 THR HA 1 81 VAL QG . . 5.440 5.087 4.564 5.224 . 0 0 "[ . 1 . 2]" 1
1202 1 80 LEU H 1 80 LEU QD . . 3.650 3.315 3.284 3.350 . 0 0 "[ . 1 . 2]" 1
1203 1 80 LEU H 1 81 VAL QG . . 4.560 4.343 4.169 4.710 0.150 8 0 "[ . 1 . 2]" 1
1204 1 80 LEU HB2 1 80 LEU QD . . 2.750 1.992 1.974 2.054 . 0 0 "[ . 1 . 2]" 1
1205 1 80 LEU HB2 1 104 VAL QG . . 4.910 4.162 3.884 4.326 . 0 0 "[ . 1 . 2]" 1
1206 1 80 LEU HB3 1 104 VAL QG . . 5.440 4.486 3.893 4.712 . 0 0 "[ . 1 . 2]" 1
1207 1 80 LEU HG 1 81 VAL QG . . 4.090 2.399 2.160 3.380 . 0 0 "[ . 1 . 2]" 1
1208 1 80 LEU HG 1 104 VAL QG . . 3.370 2.962 1.998 3.201 . 0 0 "[ . 1 . 2]" 1
1209 1 80 LEU QD 1 81 VAL HA . . 4.730 2.573 2.496 2.618 . 0 0 "[ . 1 . 2]" 1
1210 1 80 LEU QD 1 104 VAL QG . . 2.610 1.608 1.519 1.681 . 0 0 "[ . 1 . 2]" 1
1211 1 81 VAL H 1 81 VAL QG . . 2.950 2.516 2.315 2.917 . 0 0 "[ . 1 . 2]" 1
1212 1 81 VAL H 1 82 HIS QB . . 5.100 4.388 4.349 4.416 . 0 0 "[ . 1 . 2]" 1
1213 1 81 VAL H 1 104 VAL QG . . 4.570 4.145 3.187 4.360 . 0 0 "[ . 1 . 2]" 1
1214 1 81 VAL HA 1 101 LEU QD . . 4.460 4.395 4.269 4.495 0.035 4 0 "[ . 1 . 2]" 1
1215 1 81 VAL HA 1 104 VAL QG . . 3.390 2.638 2.417 2.852 . 0 0 "[ . 1 . 2]" 1
1216 1 81 VAL HA 1 105 LEU QD . . 3.690 3.179 2.048 3.730 0.040 15 0 "[ . 1 . 2]" 1
1217 1 81 VAL HB 1 104 VAL QG . . 4.500 4.442 2.984 4.672 0.172 16 0 "[ . 1 . 2]" 1
1218 1 81 VAL QG 1 82 HIS H . . 3.420 2.915 2.271 3.138 . 0 0 "[ . 1 . 2]" 1
1219 1 81 VAL QG 1 82 HIS HA . . 4.270 3.113 2.785 3.378 . 0 0 "[ . 1 . 2]" 1
1220 1 81 VAL QG 1 82 HIS QB . . 4.290 3.689 2.941 3.925 . 0 0 "[ . 1 . 2]" 1
1221 1 81 VAL QG 1 84 ALA H . . 5.180 4.185 4.112 4.243 . 0 0 "[ . 1 . 2]" 1
1222 1 81 VAL QG 1 104 VAL QG . . 2.820 2.412 1.691 2.568 . 0 0 "[ . 1 . 2]" 1
1223 1 81 VAL QG 1 105 LEU HA . . 4.300 2.879 2.463 3.475 . 0 0 "[ . 1 . 2]" 1
1224 1 81 VAL QG 1 105 LEU QD . . 3.760 2.239 1.806 2.725 . 0 0 "[ . 1 . 2]" 1
1225 1 81 VAL QG 1 108 GLN H . . 4.540 3.882 3.488 4.288 . 0 0 "[ . 1 . 2]" 1
1226 1 81 VAL QG 1 108 GLN HB2 . . 3.640 2.384 1.985 2.905 . 0 0 "[ . 1 . 2]" 1
1227 1 81 VAL QG 1 108 GLN HB3 . . 4.420 3.057 2.595 3.784 . 0 0 "[ . 1 . 2]" 1
1228 1 81 VAL QG 1 108 GLN QG . . 3.190 1.957 1.792 2.556 . 0 0 "[ . 1 . 2]" 1
1229 1 81 VAL MG2 1 108 GLN HG3 . . 5.220 3.538 2.115 5.111 . 0 0 "[ . 1 . 2]" 1
1230 1 81 VAL QG 1 109 ALA H . . 5.440 4.854 4.455 5.500 0.060 16 0 "[ . 1 . 2]" 1
1231 1 82 HIS HA 1 85 SER QB . . 4.560 2.996 2.633 3.583 . 0 0 "[ . 1 . 2]" 1
1232 1 82 HIS QB 1 83 THR H . . 3.440 2.589 2.486 2.649 . 0 0 "[ . 1 . 2]" 1
1233 1 84 ALA H 1 101 LEU QD . . 4.470 4.212 4.046 4.314 . 0 0 "[ . 1 . 2]" 1
1234 1 84 ALA H 1 104 VAL QG . . 4.950 4.582 4.423 5.090 0.140 4 0 "[ . 1 . 2]" 1
1235 1 84 ALA H 1 105 LEU QD . . 5.050 4.046 3.262 4.609 . 0 0 "[ . 1 . 2]" 1
1236 1 84 ALA HA 1 101 LEU QD . . 3.760 3.467 3.304 3.664 . 0 0 "[ . 1 . 2]" 1
1237 1 84 ALA MB 1 101 LEU QD . . 3.070 1.866 1.816 1.958 . 0 0 "[ . 1 . 2]" 1
1238 1 84 ALA MB 1 104 VAL QG . . 3.380 2.644 2.461 3.496 0.116 4 0 "[ . 1 . 2]" 1
1239 1 84 ALA MB 1 105 LEU QB . . 5.320 4.380 3.806 4.584 . 0 0 "[ . 1 . 2]" 1
1240 1 84 ALA MB 1 105 LEU QD . . 2.840 2.476 1.713 2.795 . 0 0 "[ . 1 . 2]" 1
1241 1 85 SER H 1 85 SER QB . . 3.140 2.469 2.252 2.772 . 0 0 "[ . 1 . 2]" 1
1242 1 85 SER H 1 105 LEU QD . . 4.050 3.369 3.077 3.988 . 0 0 "[ . 1 . 2]" 1
1243 1 85 SER HA 1 105 LEU QD . . 4.020 2.360 2.033 3.043 . 0 0 "[ . 1 . 2]" 1
1244 1 85 SER QB 1 86 ILE MG . . 5.020 3.819 2.951 5.068 0.048 7 0 "[ . 1 . 2]" 1
1245 1 85 SER QB 1 105 LEU QD . . 3.410 2.023 1.778 2.699 . 0 0 "[ . 1 . 2]" 1
1246 1 86 ILE HB 1 90 GLN QB . . 4.340 2.964 2.439 3.654 . 0 0 "[ . 1 . 2]" 1
1247 1 86 ILE HB 1 90 GLN QG . . 4.750 3.562 2.094 4.203 . 0 0 "[ . 1 . 2]" 1
1248 1 86 ILE MG 1 90 GLN QB . . 4.880 3.885 3.553 4.185 . 0 0 "[ . 1 . 2]" 1
1249 1 86 ILE MG 1 90 GLN QG . . 5.320 4.395 3.514 5.058 . 0 0 "[ . 1 . 2]" 1
1250 1 86 ILE MD 1 90 GLN QB . . 3.270 2.042 1.802 2.715 . 0 0 "[ . 1 . 2]" 1
1251 1 87 ALA H 1 90 GLN QB . . 4.750 3.503 2.791 4.513 . 0 0 "[ . 1 . 2]" 1
1252 1 87 ALA H 1 90 GLN QG . . 5.180 3.597 2.561 4.250 . 0 0 "[ . 1 . 2]" 1
1253 1 87 ALA HA 1 90 GLN QG . . 5.340 4.900 3.820 5.356 0.016 8 0 "[ . 1 . 2]" 1
1254 1 87 ALA MB 1 89 GLN QG . . 4.430 2.217 1.929 3.095 . 0 0 "[ . 1 . 2]" 1
1255 1 87 ALA MB 1 90 GLN QG . . 3.130 2.517 1.981 3.094 . 0 0 "[ . 1 . 2]" 1
1256 1 89 GLN H 1 89 GLN QB . . 3.140 2.546 2.311 2.707 . 0 0 "[ . 1 . 2]" 1
1257 1 89 GLN HA 1 89 GLN QG . . 3.460 3.259 2.565 3.339 . 0 0 "[ . 1 . 2]" 1
1258 1 89 GLN QG 1 91 ARG H . . 5.040 4.565 4.307 5.116 0.076 11 0 "[ . 1 . 2]" 1
1259 1 90 GLN H 1 90 GLN QB . . 3.080 2.524 2.345 3.134 0.054 13 0 "[ . 1 . 2]" 1
1260 1 90 GLN H 1 90 GLN QG . . 3.140 2.452 2.079 2.851 . 0 0 "[ . 1 . 2]" 1
1261 1 92 ARG H 1 92 ARG QB . . 2.950 2.388 2.151 2.966 0.016 1 0 "[ . 1 . 2]" 1
1262 1 93 GLY QA 1 94 ALA MB . . 4.290 3.705 3.409 3.778 . 0 0 "[ . 1 . 2]" 1
1263 1 94 ALA HA 1 95 PRO QD . . 2.600 2.152 2.146 2.162 . 0 0 "[ . 1 . 2]" 1
1264 1 94 ALA MB 1 95 PRO QD . . 2.790 2.016 1.927 2.076 . 0 0 "[ . 1 . 2]" 1
1265 1 95 PRO QB 1 96 VAL H . . 4.070 3.835 3.628 3.936 . 0 0 "[ . 1 . 2]" 1
1266 1 95 PRO QD 1 96 VAL H . . 4.790 4.561 4.385 4.823 0.033 13 0 "[ . 1 . 2]" 1
1267 1 96 VAL HB 1 101 LEU QD . . 3.800 3.331 2.672 3.818 0.018 8 0 "[ . 1 . 2]" 1
1268 1 96 VAL MG2 1 101 LEU QD . . 3.210 2.329 1.968 2.647 . 0 0 "[ . 1 . 2]" 1
1269 1 97 PRO QB 1 98 GLN H . . 4.040 3.067 2.677 3.586 . 0 0 "[ . 1 . 2]" 1
1270 1 97 PRO QB 1 99 GLU H . . 4.240 2.605 2.338 3.046 . 0 0 "[ . 1 . 2]" 1
1271 1 97 PRO QB 1 100 LEU H . . 4.080 3.067 2.640 3.522 . 0 0 "[ . 1 . 2]" 1
1272 1 97 PRO QB 1 100 LEU QD . . 3.800 3.126 2.108 3.825 0.025 1 0 "[ . 1 . 2]" 1
1273 1 97 PRO HG2 1 100 LEU QB . . 4.060 2.732 1.978 3.939 . 0 0 "[ . 1 . 2]" 1
1274 1 97 PRO HG2 1 100 LEU QD . . 3.300 2.046 1.815 2.536 . 0 0 "[ . 1 . 2]" 1
1275 1 97 PRO HG3 1 100 LEU QD . . 3.260 2.686 2.262 3.316 0.056 16 0 "[ . 1 . 2]" 1
1276 1 97 PRO HD2 1 100 LEU QD . . 3.900 2.533 1.945 3.820 . 0 0 "[ . 1 . 2]" 1
1277 1 98 GLN H 1 98 GLN QB . . 3.610 2.412 2.218 2.621 . 0 0 "[ . 1 . 2]" 1
1278 1 98 GLN H 1 99 GLU QB . . 4.910 4.782 4.604 4.922 0.012 13 0 "[ . 1 . 2]" 1
1279 1 98 GLN HA 1 98 GLN QG . . 3.550 2.871 2.223 3.339 . 0 0 "[ . 1 . 2]" 1
1280 1 98 GLN HA 1 101 LEU QD . . 3.440 1.884 1.869 1.919 . 0 0 "[ . 1 . 2]" 1
1281 1 98 GLN QB 1 101 LEU QD . . 4.390 3.419 3.134 3.740 . 0 0 "[ . 1 . 2]" 1
1282 1 98 GLN QB 1 102 ASP H . . 5.260 4.561 4.156 4.825 . 0 0 "[ . 1 . 2]" 1
1283 1 98 GLN QG 1 101 LEU QD . . 4.720 3.765 2.957 4.443 . 0 0 "[ . 1 . 2]" 1
1284 1 99 GLU H 1 99 GLU QB . . 2.980 2.460 2.302 2.611 . 0 0 "[ . 1 . 2]" 1
1285 1 99 GLU H 1 100 LEU QD . . 4.580 4.214 3.878 4.686 0.106 13 0 "[ . 1 . 2]" 1
1286 1 99 GLU HA 1 100 LEU QD . . 4.790 4.673 4.538 4.814 0.024 13 0 "[ . 1 . 2]" 1
1287 1 99 GLU QB 1 100 LEU H . . 3.850 3.430 3.296 3.554 . 0 0 "[ . 1 . 2]" 1
1288 1 99 GLU QB 1 100 LEU HA . . 4.700 4.342 4.161 4.525 . 0 0 "[ . 1 . 2]" 1
1289 1 99 GLU QB 1 102 ASP HB3 . . 5.340 4.066 3.839 4.480 . 0 0 "[ . 1 . 2]" 1
1290 1 100 LEU H 1 100 LEU QD . . 3.280 2.388 2.160 2.991 . 0 0 "[ . 1 . 2]" 1
1291 1 100 LEU H 1 101 LEU QD . . 3.740 3.303 3.211 3.397 . 0 0 "[ . 1 . 2]" 1
1292 1 100 LEU HA 1 100 LEU QD . . 3.230 2.067 1.886 2.315 . 0 0 "[ . 1 . 2]" 1
1293 1 100 LEU QB 1 100 LEU QD . . 2.640 1.979 1.911 2.042 . 0 0 "[ . 1 . 2]" 1
1294 1 100 LEU QB 1 101 LEU H . . 3.720 2.629 2.407 2.723 . 0 0 "[ . 1 . 2]" 1
1295 1 100 LEU QB 1 101 LEU HA . . 5.340 3.827 3.752 3.891 . 0 0 "[ . 1 . 2]" 1
1296 1 100 LEU QB 1 101 LEU HG . . 5.340 4.963 4.804 5.062 . 0 0 "[ . 1 . 2]" 1
1297 1 100 LEU QB 1 101 LEU QD . . 3.530 2.290 2.141 2.407 . 0 0 "[ . 1 . 2]" 1
1298 1 100 LEU QD 1 101 LEU H . . 4.010 3.959 3.900 4.099 0.089 13 0 "[ . 1 . 2]" 1
1299 1 101 LEU H 1 104 VAL QG . . 4.510 3.821 3.728 4.351 . 0 0 "[ . 1 . 2]" 1
1300 1 101 LEU HA 1 101 LEU QD . . 2.920 1.897 1.865 1.950 . 0 0 "[ . 1 . 2]" 1
1301 1 101 LEU HA 1 104 VAL QG . . 3.270 1.943 1.827 2.890 . 0 0 "[ . 1 . 2]" 1
1302 1 101 LEU HA 1 105 LEU QD . . 5.000 3.699 2.971 4.054 . 0 0 "[ . 1 . 2]" 1
1303 1 101 LEU QD 1 104 VAL H . . 4.790 4.536 4.473 4.587 . 0 0 "[ . 1 . 2]" 1
1304 1 101 LEU QD 1 104 VAL HB . . 4.930 4.689 3.462 4.870 . 0 0 "[ . 1 . 2]" 1
1305 1 101 LEU QD 1 104 VAL QG . . 3.990 2.507 2.365 3.036 . 0 0 "[ . 1 . 2]" 1
1306 1 101 LEU QD 1 105 LEU H . . 5.320 4.866 4.610 4.949 . 0 0 "[ . 1 . 2]" 1
1307 1 102 ASP HA 1 105 LEU QB . . 4.180 2.764 2.635 2.997 . 0 0 "[ . 1 . 2]" 1
1308 1 102 ASP HA 1 105 LEU QD . . 3.890 3.296 2.926 4.091 0.201 4 0 "[ . 1 . 2]" 1
1309 1 103 ARG HA 1 104 VAL QG . . 5.410 4.413 4.366 4.681 . 0 0 "[ . 1 . 2]" 1
1310 1 103 ARG QG 1 104 VAL QG . . 3.900 1.978 1.931 2.140 . 0 0 "[ . 1 . 2]" 1
1311 1 104 VAL H 1 104 VAL QG . . 3.430 1.908 1.835 2.138 . 0 0 "[ . 1 . 2]" 1
1312 1 104 VAL HA 1 104 VAL QG . . 2.850 2.293 2.122 2.355 . 0 0 "[ . 1 . 2]" 1
1313 1 104 VAL QG 1 105 LEU H . . 3.490 2.059 1.876 3.229 . 0 0 "[ . 1 . 2]" 1
1314 1 104 VAL QG 1 105 LEU HA . . 4.000 3.273 3.155 3.663 . 0 0 "[ . 1 . 2]" 1
1315 1 104 VAL QG 1 105 LEU QD . . 3.560 2.852 1.799 3.405 . 0 0 "[ . 1 . 2]" 1
1316 1 104 VAL QG 1 106 ALA H . . 4.840 4.174 4.024 4.800 . 0 0 "[ . 1 . 2]" 1
1317 1 104 VAL QG 1 106 ALA MB . . 5.440 4.909 4.833 5.173 . 0 0 "[ . 1 . 2]" 1
1318 1 104 VAL QG 1 107 ALA MB . . 5.440 4.056 3.788 4.131 . 0 0 "[ . 1 . 2]" 1
1319 1 104 VAL QG 1 108 GLN H . . 5.120 4.647 4.020 4.775 . 0 0 "[ . 1 . 2]" 1
1320 1 105 LEU H 1 105 LEU QD . . 3.410 3.188 2.400 3.354 . 0 0 "[ . 1 . 2]" 1
1321 1 105 LEU HA 1 105 LEU QD . . 3.010 2.008 1.872 2.219 . 0 0 "[ . 1 . 2]" 1
1322 1 105 LEU HA 1 108 GLN QG . . 4.150 4.161 4.105 4.188 0.038 10 0 "[ . 1 . 2]" 1
1323 1 105 LEU QB 1 105 LEU QD . . 2.610 1.932 1.885 2.081 . 0 0 "[ . 1 . 2]" 1
1324 1 105 LEU QB 1 106 ALA H . . 4.040 2.421 2.367 2.591 . 0 0 "[ . 1 . 2]" 1
1325 1 105 LEU QB 1 108 GLN HB2 . . 5.340 5.116 4.918 5.347 0.007 9 0 "[ . 1 . 2]" 1
1326 1 105 LEU QB 1 108 GLN HB3 . . 5.340 4.573 4.337 4.777 . 0 0 "[ . 1 . 2]" 1
1327 1 105 LEU QD 1 106 ALA H . . 4.370 3.956 3.880 4.044 . 0 0 "[ . 1 . 2]" 1
1328 1 105 LEU QD 1 106 ALA HA . . 5.440 4.902 4.790 5.045 . 0 0 "[ . 1 . 2]" 1
1329 1 105 LEU QD 1 108 GLN H . . 4.950 4.781 4.352 4.958 0.008 7 0 "[ . 1 . 2]" 1
1330 1 105 LEU QD 1 108 GLN HB2 . . 4.360 4.059 3.599 4.326 . 0 0 "[ . 1 . 2]" 1
1331 1 105 LEU QD 1 108 GLN HB3 . . 4.110 3.635 3.227 3.912 . 0 0 "[ . 1 . 2]" 1
1332 1 105 LEU QD 1 108 GLN QG . . 4.190 4.045 3.796 4.192 0.002 12 0 "[ . 1 . 2]" 1
1333 1 105 LEU QD 1 109 ALA H . . 5.440 4.753 4.319 4.904 . 0 0 "[ . 1 . 2]" 1
1334 1 108 GLN H 1 108 GLN QG . . 4.660 3.941 3.825 4.060 . 0 0 "[ . 1 . 2]" 1
1335 1 108 GLN HA 1 108 GLN QG . . 3.450 2.497 2.188 2.933 . 0 0 "[ . 1 . 2]" 1
1336 1 112 SER HA 1 113 VAL QG . . 4.070 3.694 3.023 4.099 0.029 2 0 "[ . 1 . 2]" 1
1337 1 112 SER QB 1 113 VAL QG . . 5.040 4.169 2.549 4.848 . 0 0 "[ . 1 . 2]" 1
1338 1 113 VAL H 1 113 VAL QG . . 2.960 2.270 1.913 2.726 . 0 0 "[ . 1 . 2]" 1
1339 1 113 VAL QG 1 114 ASP H . . 3.420 2.563 1.959 3.698 0.278 4 0 "[ . 1 . 2]" 1
1340 1 113 VAL QG 1 114 ASP HA . . 4.240 3.833 3.172 4.344 0.104 4 0 "[ . 1 . 2]" 1
1341 1 113 VAL QG 1 114 ASP QB . . 3.500 2.811 2.326 3.790 0.290 15 0 "[ . 1 . 2]" 1
1342 1 117 GLY QA 1 120 VAL QG . . 4.270 4.099 3.278 4.384 0.114 5 0 "[ . 1 . 2]" 1
1343 1 118 ARG H 1 118 ARG QB . . 3.030 2.567 2.049 2.946 . 0 0 "[ . 1 . 2]" 1
1344 1 118 ARG H 1 120 VAL QG . . 4.320 3.682 2.186 4.417 0.097 5 0 "[ . 1 . 2]" 1
1345 1 118 ARG QB 1 119 ILE H . . 4.070 2.831 1.983 3.922 . 0 0 "[ . 1 . 2]" 1
1346 1 119 ILE H 1 119 ILE QG . . 3.480 2.268 1.939 3.858 0.378 9 0 "[ . 1 . 2]" 1
1347 1 120 VAL H 1 120 VAL QG . . 3.170 2.125 1.865 2.723 . 0 0 "[ . 1 . 2]" 1
1348 1 120 VAL QG 1 121 THR H . . 3.960 3.210 1.997 3.727 . 0 0 "[ . 1 . 2]" 1
1349 1 120 VAL QG 1 122 LEU H . . 4.460 3.546 2.159 4.455 . 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 64
_Distance_constraint_stats_list.Viol_count 1250
_Distance_constraint_stats_list.Viol_total 7013.873
_Distance_constraint_stats_list.Viol_max 0.622
_Distance_constraint_stats_list.Viol_rms 0.1334
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2740
_Distance_constraint_stats_list.Viol_average_violations_only 0.2806
_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 35 THR 2.224 0.331 12 0 "[ . 1 . 2]"
1 36 VAL 11.384 0.444 12 0 "[ . 1 . 2]"
1 37 ALA 11.425 0.432 16 0 "[ . 1 . 2]"
1 38 GLU 11.848 0.434 13 0 "[ . 1 . 2]"
1 39 VAL 9.352 0.387 16 0 "[ . 1 . 2]"
1 40 GLU 21.817 0.452 10 0 "[ . 1 . 2]"
1 41 LEU 20.494 0.432 16 0 "[ . 1 . 2]"
1 42 LEU 11.848 0.434 13 0 "[ . 1 . 2]"
1 43 VAL 7.127 0.387 16 0 "[ . 1 . 2]"
1 44 GLU 10.433 0.452 10 0 "[ . 1 . 2]"
1 45 ALA 9.070 0.411 19 0 "[ . 1 . 2]"
1 54 TRP 16.920 0.507 20 1 "[ . 1 . +]"
1 55 ARG 15.184 0.456 18 0 "[ . 1 . 2]"
1 56 ASP 4.297 0.358 3 0 "[ . 1 . 2]"
1 58 LYS 16.920 0.507 20 1 "[ . 1 . +]"
1 59 PHE 15.184 0.456 18 0 "[ . 1 . 2]"
1 60 ARG 4.297 0.358 3 0 "[ . 1 . 2]"
1 69 THR 13.100 0.415 15 0 "[ . 1 . 2]"
1 70 TYR 17.802 0.542 18 6 "[ - * 1 * * *+ 2]"
1 71 VAL 4.523 0.365 10 0 "[ . 1 . 2]"
1 72 ASP 5.506 0.328 13 0 "[ . 1 . 2]"
1 73 LEU 25.322 0.478 15 0 "[ . 1 . 2]"
1 74 LYS 33.354 0.542 18 6 "[ - * 1 * * *+ 2]"
1 75 ASP 12.543 0.409 12 0 "[ . 1 . 2]"
1 76 LYS 11.894 0.374 1 0 "[ . 1 . 2]"
1 77 TRP 20.582 0.478 15 0 "[ . 1 . 2]"
1 78 LYS 31.162 0.471 16 0 "[ . 1 . 2]"
1 79 THR 23.027 0.447 4 0 "[ . 1 . 2]"
1 80 LEU 17.344 0.403 3 0 "[ . 1 . 2]"
1 81 VAL 23.533 0.622 4 20 [***+**-*************]
1 82 HIS 15.609 0.446 12 0 "[ . 1 . 2]"
1 83 THR 15.008 0.447 4 0 "[ . 1 . 2]"
1 84 ALA 10.956 0.403 3 0 "[ . 1 . 2]"
1 85 SER 15.172 0.622 4 20 [***+**-*************]
1 99 GLU 8.504 0.398 13 0 "[ . 1 . 2]"
1 100 LEU 16.392 0.469 10 0 "[ . 1 . 2]"
1 101 LEU 13.970 0.430 11 0 "[ . 1 . 2]"
1 102 ASP 9.325 0.351 15 0 "[ . 1 . 2]"
1 103 ARG 20.821 0.398 13 0 "[ . 1 . 2]"
1 104 VAL 28.763 0.469 10 0 "[ . 1 . 2]"
1 105 LEU 28.094 0.504 15 1 "[ . 1 + 2]"
1 106 ALA 17.220 0.351 15 0 "[ . 1 . 2]"
1 107 ALA 19.982 0.381 18 0 "[ . 1 . 2]"
1 108 GLN 12.370 0.365 19 0 "[ . 1 . 2]"
1 109 ALA 14.123 0.504 15 1 "[ . 1 + 2]"
1 110 TYR 7.895 0.322 4 0 "[ . 1 . 2]"
1 111 TRP 7.666 0.349 6 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 35 THR O 1 39 VAL H . . 1.800 1.818 1.769 2.108 0.308 12 0 "[ . 1 . 2]" 2
2 1 35 THR O 1 39 VAL N . . 2.700 2.787 2.742 3.031 0.331 12 0 "[ . 1 . 2]" 2
3 1 36 VAL O 1 40 GLU H . . 1.800 2.112 1.943 2.210 0.410 12 0 "[ . 1 . 2]" 2
4 1 36 VAL O 1 40 GLU N . . 2.700 2.957 2.774 3.144 0.444 12 0 "[ . 1 . 2]" 2
5 1 37 ALA O 1 41 LEU H . . 1.800 2.055 1.894 2.166 0.366 16 0 "[ . 1 . 2]" 2
6 1 37 ALA O 1 41 LEU N . . 2.700 3.016 2.867 3.132 0.432 16 0 "[ . 1 . 2]" 2
7 1 38 GLU O 1 42 LEU H . . 1.800 2.080 1.946 2.179 0.379 8 0 "[ . 1 . 2]" 2
8 1 38 GLU O 1 42 LEU N . . 2.700 3.012 2.867 3.134 0.434 13 0 "[ . 1 . 2]" 2
9 1 39 VAL O 1 43 VAL H . . 1.800 1.956 1.798 2.132 0.332 11 0 "[ . 1 . 2]" 2
10 1 39 VAL O 1 43 VAL N . . 2.700 2.900 2.746 3.087 0.387 16 0 "[ . 1 . 2]" 2
11 1 40 GLU O 1 44 GLU H . . 1.800 2.068 1.852 2.252 0.452 10 0 "[ . 1 . 2]" 2
12 1 40 GLU O 1 44 GLU N . . 2.700 2.954 2.742 3.132 0.432 12 0 "[ . 1 . 2]" 2
13 1 41 LEU O 1 45 ALA H . . 1.800 2.096 1.963 2.211 0.411 19 0 "[ . 1 . 2]" 2
14 1 41 LEU O 1 45 ALA N . . 2.700 2.857 2.735 3.001 0.301 10 0 "[ . 1 . 2]" 2
15 1 54 TRP O 1 58 LYS H . . 1.800 2.232 2.119 2.295 0.495 8 0 "[ . 1 . 2]" 2
16 1 54 TRP O 1 58 LYS N . . 2.700 3.114 3.008 3.207 0.507 20 1 "[ . 1 . +]" 2
17 1 55 ARG O 1 59 PHE H . . 1.800 2.178 2.117 2.256 0.456 18 0 "[ . 1 . 2]" 2
18 1 55 ARG O 1 59 PHE N . . 2.700 3.081 2.958 3.128 0.428 19 0 "[ . 1 . 2]" 2
19 1 56 ASP O 1 60 ARG H . . 1.800 1.916 1.778 2.158 0.358 3 0 "[ . 1 . 2]" 2
20 1 56 ASP O 1 60 ARG N . . 2.700 2.795 2.693 3.043 0.343 3 0 "[ . 1 . 2]" 2
21 1 69 THR O 1 73 LEU H . . 1.800 2.130 2.014 2.198 0.398 15 0 "[ . 1 . 2]" 2
22 1 69 THR O 1 73 LEU N . . 2.700 3.025 2.847 3.115 0.415 15 0 "[ . 1 . 2]" 2
23 1 70 TYR O 1 74 LYS H . . 1.800 2.208 2.162 2.265 0.465 7 0 "[ . 1 . 2]" 2
24 1 70 TYR O 1 74 LYS N . . 2.700 3.182 3.125 3.242 0.542 18 6 "[ - * 1 * * *+ 2]" 2
25 1 71 VAL O 1 75 ASP H . . 1.800 1.900 1.797 2.115 0.315 10 0 "[ . 1 . 2]" 2
26 1 71 VAL O 1 75 ASP N . . 2.700 2.826 2.727 3.065 0.365 10 0 "[ . 1 . 2]" 2
27 1 72 ASP O 1 76 LYS H . . 1.800 1.966 1.870 2.128 0.328 13 0 "[ . 1 . 2]" 2
28 1 72 ASP O 1 76 LYS N . . 2.700 2.810 2.728 2.952 0.252 1 0 "[ . 1 . 2]" 2
29 1 73 LEU O 1 77 TRP H . . 1.800 2.092 1.930 2.226 0.426 15 0 "[ . 1 . 2]" 2
30 1 73 LEU O 1 77 TRP N . . 2.700 3.020 2.879 3.178 0.478 15 0 "[ . 1 . 2]" 2
31 1 74 LYS O 1 78 LYS H . . 1.800 2.154 2.132 2.222 0.422 16 0 "[ . 1 . 2]" 2
32 1 74 LYS O 1 78 LYS N . . 2.700 3.123 3.098 3.171 0.471 16 0 "[ . 1 . 2]" 2
33 1 75 ASP O 1 79 THR H . . 1.800 1.980 1.800 2.160 0.360 16 0 "[ . 1 . 2]" 2
34 1 75 ASP O 1 79 THR N . . 2.700 2.921 2.738 3.109 0.409 12 0 "[ . 1 . 2]" 2
35 1 76 LYS O 1 80 LEU H . . 1.800 1.928 1.776 2.107 0.307 1 0 "[ . 1 . 2]" 2
36 1 76 LYS O 1 80 LEU N . . 2.700 2.888 2.742 3.074 0.374 1 0 "[ . 1 . 2]" 2
37 1 77 TRP O 1 81 VAL H . . 1.800 2.041 1.912 2.183 0.383 18 0 "[ . 1 . 2]" 2
38 1 77 TRP O 1 81 VAL N . . 2.700 2.877 2.776 3.008 0.308 18 0 "[ . 1 . 2]" 2
39 1 78 LYS O 1 82 HIS H . . 1.800 2.178 2.027 2.243 0.443 8 0 "[ . 1 . 2]" 2
40 1 78 LYS O 1 82 HIS N . . 2.700 3.103 2.965 3.146 0.446 12 0 "[ . 1 . 2]" 2
41 1 79 THR O 1 83 THR H . . 1.800 2.153 2.104 2.194 0.394 8 0 "[ . 1 . 2]" 2
42 1 79 THR O 1 83 THR N . . 2.700 3.097 3.045 3.147 0.447 4 0 "[ . 1 . 2]" 2
43 1 80 LEU O 1 84 ALA H . . 1.800 2.135 1.951 2.203 0.403 3 0 "[ . 1 . 2]" 2
44 1 80 LEU O 1 84 ALA N . . 2.700 2.913 2.747 2.987 0.287 3 0 "[ . 1 . 2]" 2
45 1 81 VAL O 1 85 SER H . . 1.800 2.374 2.307 2.422 0.622 4 20 [***+**-*************] 2
46 1 81 VAL O 1 85 SER N . . 2.700 2.884 2.737 2.956 0.256 3 0 "[ . 1 . 2]" 2
47 1 99 GLU O 1 103 ARG H . . 1.800 2.012 1.808 2.178 0.378 13 0 "[ . 1 . 2]" 2
48 1 99 GLU O 1 103 ARG N . . 2.700 2.913 2.749 3.098 0.398 13 0 "[ . 1 . 2]" 2
49 1 100 LEU O 1 104 VAL H . . 1.800 2.194 2.166 2.245 0.445 18 0 "[ . 1 . 2]" 2
50 1 100 LEU O 1 104 VAL N . . 2.700 3.126 3.088 3.169 0.469 10 0 "[ . 1 . 2]" 2
51 1 101 LEU O 1 105 LEU H . . 1.800 2.164 1.964 2.230 0.430 11 0 "[ . 1 . 2]" 2
52 1 101 LEU O 1 105 LEU N . . 2.700 3.035 2.870 3.100 0.400 3 0 "[ . 1 . 2]" 2
53 1 102 ASP O 1 106 ALA H . . 1.800 2.021 1.811 2.115 0.315 11 0 "[ . 1 . 2]" 2
54 1 102 ASP O 1 106 ALA N . . 2.700 2.945 2.743 3.051 0.351 15 0 "[ . 1 . 2]" 2
55 1 103 ARG O 1 107 ALA H . . 1.800 2.100 1.940 2.181 0.381 18 0 "[ . 1 . 2]" 2
56 1 103 ARG O 1 107 ALA N . . 2.700 3.016 2.842 3.076 0.376 18 0 "[ . 1 . 2]" 2
57 1 104 VAL O 1 108 GLN H . . 1.800 2.119 2.084 2.144 0.344 15 0 "[ . 1 . 2]" 2
58 1 104 VAL O 1 108 GLN N . . 2.700 2.999 2.899 3.065 0.365 19 0 "[ . 1 . 2]" 2
59 1 105 LEU O 1 109 ALA H . . 1.800 2.122 2.006 2.257 0.457 15 0 "[ . 1 . 2]" 2
60 1 105 LEU O 1 109 ALA N . . 2.700 3.084 2.961 3.204 0.504 15 1 "[ . 1 + 2]" 2
61 1 106 ALA O 1 110 TYR H . . 1.800 2.013 1.798 2.117 0.317 15 0 "[ . 1 . 2]" 2
62 1 106 ALA O 1 110 TYR N . . 2.700 2.881 2.745 3.022 0.322 4 0 "[ . 1 . 2]" 2
63 1 107 ALA O 1 111 TRP H . . 1.800 1.975 1.798 2.120 0.320 6 0 "[ . 1 . 2]" 2
64 1 107 ALA O 1 111 TRP N . . 2.700 2.908 2.735 3.049 0.349 6 0 "[ . 1 . 2]" 2
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