Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
469158 | 2aby RC | 6755 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2aby
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 1382
_Distance_constraint_stats_list.Viol_count 2056
_Distance_constraint_stats_list.Viol_total 2943.711
_Distance_constraint_stats_list.Viol_max 1.184
_Distance_constraint_stats_list.Viol_rms 0.0333
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0716
_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 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 1.671 0.229 20 0 "[ . 1 . 2]"
1 28 GLU 0.806 0.124 2 0 "[ . 1 . 2]"
1 29 ILE 1.522 0.087 8 0 "[ . 1 . 2]"
1 30 ALA 1.169 0.138 9 0 "[ . 1 . 2]"
1 31 PHE 4.273 0.197 18 0 "[ . 1 . 2]"
1 32 GLN 0.371 0.127 15 0 "[ . 1 . 2]"
1 33 THR 1.951 0.241 7 0 "[ . 1 . 2]"
1 34 ILE 2.866 0.307 7 0 "[ . 1 . 2]"
1 35 ASN 0.762 0.233 6 0 "[ . 1 . 2]"
1 36 GLY 0.055 0.055 6 0 "[ . 1 . 2]"
1 37 LEU 1.204 0.306 7 0 "[ . 1 . 2]"
1 38 ASP 0.985 0.269 18 0 "[ . 1 . 2]"
1 39 GLU 0.657 0.131 2 0 "[ . 1 . 2]"
1 40 SER 0.137 0.112 18 0 "[ . 1 . 2]"
1 41 LEU 3.370 0.179 18 0 "[ . 1 . 2]"
1 42 VAL 5.316 0.200 12 0 "[ . 1 . 2]"
1 43 GLN 0.225 0.085 9 0 "[ . 1 . 2]"
1 44 ALA 0.644 0.084 14 0 "[ . 1 . 2]"
1 45 LEU 1.933 0.179 18 0 "[ . 1 . 2]"
1 46 ALA 1.321 0.136 12 0 "[ . 1 . 2]"
1 47 GLY 0.704 0.091 17 0 "[ . 1 . 2]"
1 48 VAL 2.311 0.190 11 0 "[ . 1 . 2]"
1 49 THR 0.150 0.035 15 0 "[ . 1 . 2]"
1 50 ALA 1.672 0.462 12 0 "[ . 1 . 2]"
1 51 SER 2.983 0.259 19 0 "[ . 1 . 2]"
1 52 ASP 0.067 0.044 12 0 "[ . 1 . 2]"
1 53 PHE 5.854 1.184 13 3 "[ . 1 + .*- 2]"
1 54 PRO 0.367 0.055 9 0 "[ . 1 . 2]"
1 55 ASP 0.499 0.113 12 0 "[ . 1 . 2]"
1 56 LEU 0.855 0.151 19 0 "[ . 1 . 2]"
1 57 ASP 0.830 0.112 10 0 "[ . 1 . 2]"
1 58 ILE 3.941 0.206 4 0 "[ . 1 . 2]"
1 59 LYS 1.077 0.362 19 0 "[ . 1 . 2]"
1 60 TYR 0.455 0.362 19 0 "[ . 1 . 2]"
1 61 ASN 4.622 0.184 15 0 "[ . 1 . 2]"
1 62 ILE 8.295 0.200 12 0 "[ . 1 . 2]"
1 63 PHE 0.888 0.141 12 0 "[ . 1 . 2]"
1 64 LEU 9.039 0.289 3 0 "[ . 1 . 2]"
1 65 VAL 24.038 0.548 20 5 "[ .-* 1 . ** +]"
1 66 ASP 3.839 0.268 9 0 "[ . 1 . 2]"
1 67 LEU 7.952 0.570 19 1 "[ . 1 . +2]"
1 68 TYR 3.304 0.437 5 0 "[ . 1 . 2]"
1 70 GLN 0.776 0.210 5 0 "[ . 1 . 2]"
1 71 LYS 2.425 0.268 9 0 "[ . 1 . 2]"
1 72 TYR 1.470 0.107 16 0 "[ . 1 . 2]"
1 73 PHE 0.658 0.107 16 0 "[ . 1 . 2]"
1 74 ARG 2.441 0.213 3 0 "[ . 1 . 2]"
1 75 ILE 4.124 0.197 18 0 "[ . 1 . 2]"
1 76 LEU 8.416 0.256 9 0 "[ . 1 . 2]"
1 77 PHE 1.724 0.184 12 0 "[ . 1 . 2]"
1 78 GLN 0.810 0.100 12 0 "[ . 1 . 2]"
1 79 SER 0.478 0.082 2 0 "[ . 1 . 2]"
1 80 LYS 0.200 0.054 4 0 "[ . 1 . 2]"
1 81 LYS 1.154 0.252 19 0 "[ . 1 . 2]"
1 82 LEU 0.694 0.099 20 0 "[ . 1 . 2]"
1 83 SER 0.995 0.252 19 0 "[ . 1 . 2]"
1 84 GLU 0.834 0.110 20 0 "[ . 1 . 2]"
1 85 LEU 0.095 0.017 7 0 "[ . 1 . 2]"
1 86 HIS 0.003 0.003 8 0 "[ . 1 . 2]"
1 87 PRO 0.037 0.019 16 0 "[ . 1 . 2]"
1 88 GLU 0.101 0.019 16 0 "[ . 1 . 2]"
1 89 GLU 0.410 0.214 16 0 "[ . 1 . 2]"
1 90 ARG 0.984 0.110 20 0 "[ . 1 . 2]"
1 91 LYS 0.646 0.135 13 0 "[ . 1 . 2]"
1 92 LYS 0.625 0.541 14 1 "[ . 1 +. 2]"
1 93 VAL 1.525 0.541 14 1 "[ . 1 +. 2]"
1 94 ARG 0.242 0.051 4 0 "[ . 1 . 2]"
1 95 GLU 0.009 0.006 17 0 "[ . 1 . 2]"
1 96 LYS 0.458 0.058 15 0 "[ . 1 . 2]"
1 97 PHE 1.119 0.087 8 0 "[ . 1 . 2]"
1 98 ASP 0.855 0.197 19 0 "[ . 1 . 2]"
1 99 GLU 0.716 0.197 19 0 "[ . 1 . 2]"
1 100 ASN 0.416 0.129 9 0 "[ . 1 . 2]"
1 101 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ARG 0.097 0.045 8 0 "[ . 1 . 2]"
1 103 MET 1.116 0.129 9 0 "[ . 1 . 2]"
1 104 GLN 0.025 0.017 17 0 "[ . 1 . 2]"
1 105 TYR 2.460 0.242 2 0 "[ . 1 . 2]"
1 106 SER 4.867 0.216 6 0 "[ . 1 . 2]"
1 107 GLU 1.275 0.354 20 0 "[ . 1 . 2]"
1 108 LEU 4.493 0.117 4 0 "[ . 1 . 2]"
1 109 MET 3.978 0.242 2 0 "[ . 1 . 2]"
1 110 THR 7.465 0.542 18 3 "[ - . 1 .* + 2]"
1 111 LYS 4.137 0.453 20 0 "[ . 1 . 2]"
1 112 TYR 3.255 0.174 20 0 "[ . 1 . 2]"
1 113 HIS 2.304 0.223 5 0 "[ . 1 . 2]"
1 114 ASP 6.507 0.542 18 3 "[ - . 1 .* + 2]"
1 115 LEU 6.583 0.558 20 1 "[ . 1 . +]"
1 116 LYS 10.869 0.558 20 2 "[ . - . +]"
1 117 LYS 2.631 0.504 10 1 "[ . + . 2]"
1 118 GLN 0.083 0.047 5 0 "[ . 1 . 2]"
1 119 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 LYS 0.527 0.337 18 0 "[ . 1 . 2]"
1 121 ILE 2.739 0.337 18 0 "[ . 1 . 2]"
1 122 LYS 2.359 0.208 12 0 "[ . 1 . 2]"
1 123 ASP 1.241 0.208 12 0 "[ . 1 . 2]"
1 124 ARG 0.525 0.102 9 0 "[ . 1 . 2]"
1 125 PRO 0.788 0.047 4 0 "[ . 1 . 2]"
1 126 VAL 0.959 0.062 9 0 "[ . 1 . 2]"
1 127 LYS 0.175 0.030 17 0 "[ . 1 . 2]"
1 128 GLU 0.039 0.024 18 0 "[ . 1 . 2]"
1 129 VAL 22.932 0.548 20 5 "[ .-* 1 . ** +]"
1 130 HIS 1.587 0.235 18 0 "[ . 1 . 2]"
1 131 GLU 3.399 0.266 20 0 "[ . 1 . 2]"
1 132 GLU 1.104 0.183 18 0 "[ . 1 . 2]"
1 133 TYR 0.209 0.168 18 0 "[ . 1 . 2]"
1 134 ASP 0.683 0.183 18 0 "[ . 1 . 2]"
1 135 LEU 5.141 0.311 11 0 "[ . 1 . 2]"
1 136 TRP 2.683 0.218 14 0 "[ . 1 . 2]"
1 137 GLU 0.459 0.255 4 0 "[ . 1 . 2]"
1 138 ASP 0.261 0.123 11 0 "[ . 1 . 2]"
1 139 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 ILE 3.865 0.221 18 0 "[ . 1 . 2]"
1 141 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 GLN 0.293 0.178 18 0 "[ . 1 . 2]"
1 143 TYR 1.447 0.899 15 1 "[ . 1 + 2]"
1 144 ILE 1.153 0.899 15 1 "[ . 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 65 VAL HB 1 129 VAL MG1 . . 4.080 1.889 1.874 1.903 . 0 0 "[ . 1 . 2]" 1
2 1 27 LEU HA 1 27 LEU MD1 . . 4.150 2.195 1.924 3.399 . 0 0 "[ . 1 . 2]" 1
3 1 28 GLU HA 1 76 LEU QD . . 4.530 4.482 4.268 4.654 0.124 2 0 "[ . 1 . 2]" 1
4 1 63 PHE HA 1 64 LEU HA . . 4.620 4.378 4.368 4.399 . 0 0 "[ . 1 . 2]" 1
5 1 132 GLU HA 1 132 GLU HG3 . . 3.470 2.452 2.034 3.337 . 0 0 "[ . 1 . 2]" 1
6 1 28 GLU QB 1 28 GLU HG3 . . 2.550 2.406 2.318 2.520 . 0 0 "[ . 1 . 2]" 1
7 1 28 GLU QB 1 28 GLU HG2 . . 2.550 2.246 2.128 2.365 . 0 0 "[ . 1 . 2]" 1
8 1 29 ILE HA 1 97 PHE QE . . 5.450 5.405 4.730 5.506 0.056 17 0 "[ . 1 . 2]" 1
9 1 29 ILE HA 1 29 ILE QG . . 3.630 3.402 3.386 3.408 . 0 0 "[ . 1 . 2]" 1
10 1 48 VAL HA 1 51 SER HA . . 5.500 5.578 5.310 5.690 0.190 11 0 "[ . 1 . 2]" 1
11 1 29 ILE HB 1 97 PHE QE . . 4.760 3.973 3.515 4.183 . 0 0 "[ . 1 . 2]" 1
12 1 29 ILE HA 1 29 ILE MD . . 3.480 3.370 3.280 3.481 0.001 8 0 "[ . 1 . 2]" 1
13 1 28 GLU HA 1 29 ILE MD . . 4.270 2.884 2.693 3.000 . 0 0 "[ . 1 . 2]" 1
14 1 29 ILE HB 1 29 ILE MD . . 3.260 3.176 3.170 3.178 . 0 0 "[ . 1 . 2]" 1
15 1 29 ILE MD 1 29 ILE MG . . 2.410 1.856 1.838 1.873 . 0 0 "[ . 1 . 2]" 1
16 1 29 ILE MG 1 93 VAL HB . . 3.670 3.508 2.984 3.713 0.043 8 0 "[ . 1 . 2]" 1
17 1 29 ILE MG 1 97 PHE HB3 . . 3.740 3.491 3.045 3.727 . 0 0 "[ . 1 . 2]" 1
18 1 29 ILE MG 1 97 PHE HB2 . . 4.290 4.254 3.948 4.377 0.087 8 0 "[ . 1 . 2]" 1
19 1 29 ILE MG 1 94 ARG HA . . 3.320 3.127 2.606 3.339 0.019 14 0 "[ . 1 . 2]" 1
20 1 29 ILE HA 1 29 ILE MG . . 3.430 2.230 2.178 2.275 . 0 0 "[ . 1 . 2]" 1
21 1 28 GLU HA 1 29 ILE MG . . 4.570 4.198 3.956 4.428 . 0 0 "[ . 1 . 2]" 1
22 1 29 ILE MG 1 97 PHE QE . . 3.270 3.214 3.069 3.312 0.042 1 0 "[ . 1 . 2]" 1
23 1 30 ALA HA 1 75 ILE QG . . 4.040 3.511 3.287 3.691 . 0 0 "[ . 1 . 2]" 1
24 1 30 ALA MB 1 140 ILE MG . . 3.540 1.796 1.722 1.900 . 0 0 "[ . 1 . 2]" 1
25 1 31 PHE HA 1 31 PHE QD . . 3.770 2.371 2.074 2.582 . 0 0 "[ . 1 . 2]" 1
26 1 33 THR HA 1 34 ILE HA . . 4.620 4.445 4.390 4.578 . 0 0 "[ . 1 . 2]" 1
27 1 33 THR HA 1 34 ILE QG . . 4.370 3.472 3.017 3.966 . 0 0 "[ . 1 . 2]" 1
28 1 33 THR HA 1 34 ILE MD . . 4.220 3.309 2.551 4.277 0.057 18 0 "[ . 1 . 2]" 1
29 1 31 PHE QD 1 33 THR HB . . 4.820 4.184 3.416 4.903 0.083 10 0 "[ . 1 . 2]" 1
30 1 33 THR HA 1 33 THR MG . . 3.170 3.092 2.420 3.192 0.022 5 0 "[ . 1 . 2]" 1
31 1 32 GLN HA 1 33 THR MG . . 3.580 3.280 3.030 3.609 0.029 15 0 "[ . 1 . 2]" 1
32 1 34 ILE HA 1 34 ILE QG . . 3.770 2.999 2.465 3.396 . 0 0 "[ . 1 . 2]" 1
33 1 34 ILE HA 1 34 ILE MD . . 3.680 3.598 3.469 3.987 0.307 7 0 "[ . 1 . 2]" 1
34 1 99 GLU HA 1 99 GLU HG3 . . 3.840 3.259 2.636 3.831 . 0 0 "[ . 1 . 2]" 1
35 1 116 LYS QB 1 116 LYS HE2 . . 3.850 2.981 1.915 3.585 . 0 0 "[ . 1 . 2]" 1
36 1 116 LYS HE2 1 116 LYS QG . . 3.450 2.475 1.975 3.328 . 0 0 "[ . 1 . 2]" 1
37 1 39 GLU HA 1 42 VAL HB . . 3.920 2.796 2.410 3.093 . 0 0 "[ . 1 . 2]" 1
38 1 34 ILE HB 1 34 ILE MD . . 2.680 2.236 2.070 2.794 0.114 7 0 "[ . 1 . 2]" 1
39 1 34 ILE HA 1 34 ILE MG . . 2.730 2.115 1.988 2.277 . 0 0 "[ . 1 . 2]" 1
40 1 37 LEU HB3 1 37 LEU MD1 . . 3.390 2.561 2.092 3.192 . 0 0 "[ . 1 . 2]" 1
41 1 37 LEU HB2 1 37 LEU MD1 . . 3.390 2.571 2.016 3.185 . 0 0 "[ . 1 . 2]" 1
42 1 37 LEU HB3 1 37 LEU MD2 . . 3.390 2.597 2.091 3.189 . 0 0 "[ . 1 . 2]" 1
43 1 37 LEU HB2 1 37 LEU MD2 . . 3.390 2.662 2.045 3.194 . 0 0 "[ . 1 . 2]" 1
44 1 37 LEU HA 1 37 LEU MD2 . . 4.020 2.911 2.105 3.821 . 0 0 "[ . 1 . 2]" 1
45 1 39 GLU HA 1 39 GLU QG . . 3.590 2.986 2.134 3.416 . 0 0 "[ . 1 . 2]" 1
46 1 39 GLU HB2 1 39 GLU QG . . 2.550 2.312 2.143 2.483 . 0 0 "[ . 1 . 2]" 1
47 1 39 GLU HB3 1 39 GLU QG . . 2.550 2.344 2.136 2.457 . 0 0 "[ . 1 . 2]" 1
48 1 41 LEU HB3 1 41 LEU MD1 . . 3.240 2.368 2.064 3.196 . 0 0 "[ . 1 . 2]" 1
49 1 41 LEU HB2 1 41 LEU MD1 . . 3.340 2.736 2.318 3.151 . 0 0 "[ . 1 . 2]" 1
50 1 41 LEU MD1 1 42 VAL HA . . 4.690 3.879 2.706 4.805 0.115 20 0 "[ . 1 . 2]" 1
51 1 41 LEU HA 1 41 LEU MD1 . . 4.020 3.302 2.230 3.830 . 0 0 "[ . 1 . 2]" 1
52 1 41 LEU HB3 1 41 LEU MD2 . . 3.240 2.738 2.233 3.183 . 0 0 "[ . 1 . 2]" 1
53 1 41 LEU HB2 1 41 LEU MD2 . . 3.340 2.749 2.372 3.176 . 0 0 "[ . 1 . 2]" 1
54 1 41 LEU MD2 1 42 VAL HA . . 4.690 4.142 3.481 4.745 0.055 5 0 "[ . 1 . 2]" 1
55 1 41 LEU HA 1 41 LEU MD2 . . 4.020 2.367 1.906 3.940 . 0 0 "[ . 1 . 2]" 1
56 1 42 VAL HA 1 42 VAL MG1 . . 3.090 2.317 2.209 2.412 . 0 0 "[ . 1 . 2]" 1
57 1 39 GLU HA 1 42 VAL MG1 . . 4.300 4.079 3.835 4.299 . 0 0 "[ . 1 . 2]" 1
58 1 33 THR HB 1 42 VAL MG1 . . 5.170 4.820 4.285 5.291 0.121 20 0 "[ . 1 . 2]" 1
59 1 31 PHE QD 1 42 VAL MG1 . . 3.770 3.822 3.780 3.878 0.108 18 0 "[ . 1 . 2]" 1
60 1 42 VAL MG2 1 45 LEU MD2 . . 3.790 3.131 3.023 3.214 . 0 0 "[ . 1 . 2]" 1
61 1 33 THR MG 1 42 VAL MG2 . . 3.480 1.975 1.813 2.500 . 0 0 "[ . 1 . 2]" 1
62 1 42 VAL HA 1 42 VAL MG2 . . 3.090 2.392 2.320 2.456 . 0 0 "[ . 1 . 2]" 1
63 1 39 GLU HA 1 42 VAL MG2 . . 4.300 2.442 2.099 2.992 . 0 0 "[ . 1 . 2]" 1
64 1 33 THR HB 1 42 VAL MG2 . . 5.170 2.746 2.191 3.339 . 0 0 "[ . 1 . 2]" 1
65 1 31 PHE QD 1 42 VAL MG2 . . 3.770 2.804 2.590 2.944 . 0 0 "[ . 1 . 2]" 1
66 1 44 ALA MB 1 109 MET ME . . 3.330 2.977 2.620 3.237 . 0 0 "[ . 1 . 2]" 1
67 1 41 LEU HB2 1 44 ALA MB . . 4.680 4.597 4.381 4.764 0.084 14 0 "[ . 1 . 2]" 1
68 1 44 ALA MB 1 108 LEU HG . . 4.310 4.137 3.582 4.335 0.025 6 0 "[ . 1 . 2]" 1
69 1 41 LEU HB2 1 45 LEU HB3 . . 5.500 5.563 5.195 5.679 0.179 18 0 "[ . 1 . 2]" 1
70 1 42 VAL HA 1 45 LEU HB3 . . 5.100 3.974 3.806 4.160 . 0 0 "[ . 1 . 2]" 1
71 1 45 LEU HB2 1 45 LEU MD1 . . 3.400 2.056 2.011 2.142 . 0 0 "[ . 1 . 2]" 1
72 1 42 VAL HA 1 45 LEU MD1 . . 4.220 3.883 3.605 4.062 . 0 0 "[ . 1 . 2]" 1
73 1 42 VAL HA 1 46 ALA MB . . 4.540 4.233 3.848 4.400 . 0 0 "[ . 1 . 2]" 1
74 1 45 LEU HA 1 48 VAL HB . . 5.450 3.104 2.413 4.134 . 0 0 "[ . 1 . 2]" 1
75 1 48 VAL HA 1 48 VAL MG2 . . 3.320 2.349 2.243 2.417 . 0 0 "[ . 1 . 2]" 1
76 1 50 ALA MB 1 58 ILE MG . . 3.850 3.391 2.652 3.799 . 0 0 "[ . 1 . 2]" 1
77 1 50 ALA MB 1 58 ILE MD . . 3.690 3.404 2.943 3.779 0.089 12 0 "[ . 1 . 2]" 1
78 1 50 ALA MB 1 51 SER HA . . 3.980 3.842 3.735 3.894 . 0 0 "[ . 1 . 2]" 1
79 1 31 PHE QD 1 41 LEU HB3 . . 5.200 4.938 4.249 5.262 0.062 6 0 "[ . 1 . 2]" 1
80 1 56 LEU HA 1 56 LEU HG . . 3.510 2.833 2.122 3.470 . 0 0 "[ . 1 . 2]" 1
81 1 57 ASP HB3 1 80 LYS QB . . 4.390 3.255 2.034 4.434 0.044 19 0 "[ . 1 . 2]" 1
82 1 57 ASP HB2 1 80 LYS QB . . 4.390 3.496 1.925 4.399 0.009 19 0 "[ . 1 . 2]" 1
83 1 58 ILE HB 1 58 ILE MD . . 3.220 2.561 2.036 3.152 . 0 0 "[ . 1 . 2]" 1
84 1 58 ILE MD 1 77 PHE HB2 . . 4.750 4.409 3.589 4.813 0.063 12 0 "[ . 1 . 2]" 1
85 1 50 ALA HA 1 58 ILE MD . . 3.660 3.028 2.474 3.750 0.090 12 0 "[ . 1 . 2]" 1
86 1 58 ILE MD 1 77 PHE QD . . 4.070 3.324 2.639 3.813 . 0 0 "[ . 1 . 2]" 1
87 1 58 ILE HA 1 58 ILE MD . . 3.850 3.684 3.352 3.848 . 0 0 "[ . 1 . 2]" 1
88 1 58 ILE MD 1 58 ILE MG . . 3.070 2.051 1.755 2.692 . 0 0 "[ . 1 . 2]" 1
89 1 58 ILE HA 1 58 ILE MG . . 3.670 3.185 3.179 3.200 . 0 0 "[ . 1 . 2]" 1
90 1 58 ILE MG 1 59 LYS HA . . 4.210 4.169 3.965 4.260 0.050 20 0 "[ . 1 . 2]" 1
91 1 100 ASN HA 1 103 MET HB3 . . 4.740 4.578 4.381 4.684 . 0 0 "[ . 1 . 2]" 1
92 1 59 LYS HA 1 59 LYS HD3 . . 4.260 3.808 2.038 4.285 0.025 17 0 "[ . 1 . 2]" 1
93 1 59 LYS HA 1 59 LYS QE . . 3.820 2.548 2.133 3.613 . 0 0 "[ . 1 . 2]" 1
94 1 59 LYS HB2 1 59 LYS QE . . 4.210 3.456 1.994 3.902 . 0 0 "[ . 1 . 2]" 1
95 1 59 LYS HB3 1 59 LYS QE . . 4.210 3.011 1.981 4.041 . 0 0 "[ . 1 . 2]" 1
96 1 59 LYS HD2 1 59 LYS QE . . 2.640 2.255 2.141 2.529 . 0 0 "[ . 1 . 2]" 1
97 1 59 LYS HD3 1 59 LYS QE . . 2.640 2.383 2.145 2.532 . 0 0 "[ . 1 . 2]" 1
98 1 59 LYS QE 1 59 LYS HG2 . . 3.660 3.219 1.925 3.522 . 0 0 "[ . 1 . 2]" 1
99 1 59 LYS QE 1 59 LYS HG3 . . 3.660 2.419 1.972 3.500 . 0 0 "[ . 1 . 2]" 1
100 1 59 LYS HA 1 59 LYS HG3 . . 4.020 3.107 2.104 3.863 . 0 0 "[ . 1 . 2]" 1
101 1 46 ALA MB 1 62 ILE MD . . 3.260 2.886 2.698 3.094 . 0 0 "[ . 1 . 2]" 1
102 1 62 ILE HB 1 62 ILE MD . . 3.220 2.583 2.348 3.213 . 0 0 "[ . 1 . 2]" 1
103 1 42 VAL HA 1 62 ILE MD . . 4.870 4.952 4.868 5.070 0.200 12 0 "[ . 1 . 2]" 1
104 1 62 ILE HA 1 62 ILE MD . . 4.150 3.805 2.731 4.087 . 0 0 "[ . 1 . 2]" 1
105 1 62 ILE MD 1 62 ILE MG . . 2.600 1.975 1.877 2.056 . 0 0 "[ . 1 . 2]" 1
106 1 42 VAL HA 1 62 ILE MG . . 4.720 4.645 4.385 4.779 0.059 5 0 "[ . 1 . 2]" 1
107 1 62 ILE MG 1 63 PHE HA . . 5.000 4.787 4.635 5.141 0.141 12 0 "[ . 1 . 2]" 1
108 1 64 LEU QB 1 126 VAL HB . . 4.710 4.177 3.991 4.699 . 0 0 "[ . 1 . 2]" 1
109 1 64 LEU QB 1 126 VAL MG2 . . 4.210 2.030 1.866 2.372 . 0 0 "[ . 1 . 2]" 1
110 1 64 LEU QB 1 64 LEU MD1 . . 2.670 2.113 2.016 2.292 . 0 0 "[ . 1 . 2]" 1
111 1 64 LEU QB 1 64 LEU MD2 . . 2.670 2.264 2.054 2.424 . 0 0 "[ . 1 . 2]" 1
112 1 64 LEU HA 1 64 LEU HG . . 3.770 3.322 2.352 3.720 . 0 0 "[ . 1 . 2]" 1
113 1 65 VAL HB 1 129 VAL HB . . 5.500 2.599 2.510 2.722 . 0 0 "[ . 1 . 2]" 1
114 1 65 VAL MG1 1 129 VAL MG1 . . 2.880 1.876 1.859 1.905 . 0 0 "[ . 1 . 2]" 1
115 1 65 VAL MG1 1 129 VAL HB . . 3.410 1.901 1.863 1.924 . 0 0 "[ . 1 . 2]" 1
116 1 65 VAL HA 1 65 VAL MG1 . . 3.370 2.605 2.582 2.622 . 0 0 "[ . 1 . 2]" 1
117 1 64 LEU HA 1 65 VAL MG1 . . 4.160 3.350 3.267 3.436 . 0 0 "[ . 1 . 2]" 1
118 1 65 VAL MG2 1 129 VAL MG1 . . 2.880 3.263 3.243 3.280 0.400 15 0 "[ . 1 . 2]" 1
119 1 65 VAL MG2 1 129 VAL HB . . 3.410 3.898 3.852 3.958 0.548 20 5 "[ .-* 1 . ** +]" 1
120 1 65 VAL HA 1 65 VAL MG2 . . 3.370 3.128 3.120 3.137 . 0 0 "[ . 1 . 2]" 1
121 1 64 LEU HA 1 65 VAL MG2 . . 4.160 4.404 4.356 4.449 0.289 3 0 "[ . 1 . 2]" 1
122 1 76 LEU HG 1 135 LEU HA . . 5.060 4.751 4.384 5.233 0.173 15 0 "[ . 1 . 2]" 1
123 1 76 LEU HA 1 76 LEU HG . . 4.180 2.632 2.491 2.751 . 0 0 "[ . 1 . 2]" 1
124 1 30 ALA HA 1 76 LEU HG . . 4.670 4.434 4.180 4.624 . 0 0 "[ . 1 . 2]" 1
125 1 67 LEU HG 1 68 TYR QE . . 3.930 4.002 3.540 4.367 0.437 5 0 "[ . 1 . 2]" 1
126 1 67 LEU HG 1 68 TYR QD . . 4.480 4.190 1.978 4.552 0.072 2 0 "[ . 1 . 2]" 1
127 1 70 GLN QB 1 72 TYR QE . . 4.260 2.202 1.910 2.673 . 0 0 "[ . 1 . 2]" 1
128 1 70 GLN QB 1 70 GLN QG . . 2.440 2.045 1.980 2.086 . 0 0 "[ . 1 . 2]" 1
129 1 70 GLN HA 1 70 GLN QG . . 3.260 2.707 2.394 3.312 0.052 5 0 "[ . 1 . 2]" 1
130 1 71 LYS HB3 1 71 LYS QD . . 3.260 2.531 1.985 3.339 0.079 18 0 "[ . 1 . 2]" 1
131 1 71 LYS HB2 1 71 LYS QD . . 3.260 2.775 1.986 3.273 0.013 14 0 "[ . 1 . 2]" 1
132 1 71 LYS HA 1 71 LYS QE . . 4.910 4.762 3.801 4.935 0.025 7 0 "[ . 1 . 2]" 1
133 1 71 LYS HB2 1 71 LYS QE . . 3.860 3.264 2.480 4.041 0.181 14 0 "[ . 1 . 2]" 1
134 1 71 LYS HB3 1 71 LYS QE . . 3.860 3.141 2.707 3.743 . 0 0 "[ . 1 . 2]" 1
135 1 71 LYS QE 1 71 LYS HG2 . . 3.490 2.700 1.972 3.418 . 0 0 "[ . 1 . 2]" 1
136 1 71 LYS QE 1 71 LYS HG3 . . 3.490 2.662 2.063 3.485 . 0 0 "[ . 1 . 2]" 1
137 1 71 LYS HA 1 71 LYS HG3 . . 4.250 3.532 2.320 4.217 . 0 0 "[ . 1 . 2]" 1
138 1 71 LYS HA 1 71 LYS HG2 . . 4.250 3.556 3.070 4.185 . 0 0 "[ . 1 . 2]" 1
139 1 64 LEU HA 1 73 PHE HA . . 5.090 2.408 2.196 2.691 . 0 0 "[ . 1 . 2]" 1
140 1 73 PHE HA 1 73 PHE QE . . 5.110 4.652 4.587 4.727 . 0 0 "[ . 1 . 2]" 1
141 1 46 ALA MB 1 75 ILE HB . . 5.500 5.344 4.585 5.636 0.136 12 0 "[ . 1 . 2]" 1
142 1 75 ILE QG 1 75 ILE MG . . 3.290 2.090 2.067 2.112 . 0 0 "[ . 1 . 2]" 1
143 1 73 PHE HB3 1 75 ILE MG . . 4.300 3.900 3.589 4.147 . 0 0 "[ . 1 . 2]" 1
144 1 28 GLU QB 1 76 LEU QD . . 3.560 3.386 3.060 3.607 0.047 6 0 "[ . 1 . 2]" 1
145 1 76 LEU HA 1 76 LEU QD . . 3.880 2.304 2.109 2.587 . 0 0 "[ . 1 . 2]" 1
146 1 30 ALA HA 1 76 LEU QD . . 5.030 3.526 3.162 4.258 . 0 0 "[ . 1 . 2]" 1
147 1 77 PHE HA 1 77 PHE QE . . 5.090 4.630 4.526 4.840 . 0 0 "[ . 1 . 2]" 1
148 1 111 LYS QB 1 111 LYS QE . . 3.470 2.987 1.946 3.246 . 0 0 "[ . 1 . 2]" 1
149 1 77 PHE QD 1 78 GLN QB . . 5.070 4.633 4.327 4.810 . 0 0 "[ . 1 . 2]" 1
150 1 77 PHE QE 1 78 GLN QB . . 5.500 5.435 5.115 5.600 0.100 12 0 "[ . 1 . 2]" 1
151 1 92 LYS QB 1 93 VAL MG2 . . 4.580 3.793 3.704 3.965 . 0 0 "[ . 1 . 2]" 1
152 1 80 LYS QB 1 80 LYS QD . . 2.690 2.317 1.987 2.664 . 0 0 "[ . 1 . 2]" 1
153 1 117 LYS QD 1 117 LYS QE . . 2.400 2.063 2.015 2.087 . 0 0 "[ . 1 . 2]" 1
154 1 80 LYS QB 1 80 LYS QE . . 2.610 2.351 2.033 2.598 . 0 0 "[ . 1 . 2]" 1
155 1 80 LYS QD 1 80 LYS QE . . 2.400 2.063 2.013 2.090 . 0 0 "[ . 1 . 2]" 1
156 1 80 LYS QE 1 80 LYS QG . . 2.400 2.235 2.126 2.399 . 0 0 "[ . 1 . 2]" 1
157 1 80 LYS QD 1 80 LYS QG . . 2.450 2.027 2.020 2.031 . 0 0 "[ . 1 . 2]" 1
158 1 81 LYS QB 1 81 LYS QD . . 3.020 2.302 2.105 2.858 . 0 0 "[ . 1 . 2]" 1
159 1 92 LYS QB 1 93 VAL HA . . 4.410 4.071 3.792 4.269 . 0 0 "[ . 1 . 2]" 1
160 1 81 LYS HA 1 81 LYS QD . . 4.300 3.317 1.934 3.961 . 0 0 "[ . 1 . 2]" 1
161 1 122 LYS HA 1 122 LYS QD . . 4.730 3.303 2.011 4.180 . 0 0 "[ . 1 . 2]" 1
162 1 81 LYS QB 1 81 LYS QE . . 2.510 2.372 1.955 2.518 0.008 1 0 "[ . 1 . 2]" 1
163 1 81 LYS QE 1 81 LYS QG . . 2.610 2.263 2.090 2.677 0.067 20 0 "[ . 1 . 2]" 1
164 1 122 LYS QE 1 122 LYS QG . . 2.770 2.238 2.045 2.510 . 0 0 "[ . 1 . 2]" 1
165 1 85 LEU HB2 1 85 LEU MD1 . . 3.560 2.615 1.970 3.192 . 0 0 "[ . 1 . 2]" 1
166 1 85 LEU HA 1 85 LEU MD1 . . 4.080 2.925 1.968 3.975 . 0 0 "[ . 1 . 2]" 1
167 1 85 LEU HB3 1 85 LEU MD1 . . 3.560 2.603 2.228 3.194 . 0 0 "[ . 1 . 2]" 1
168 1 85 LEU HB3 1 85 LEU MD2 . . 3.560 2.626 1.964 3.194 . 0 0 "[ . 1 . 2]" 1
169 1 85 LEU HB2 1 85 LEU MD2 . . 3.560 2.584 2.065 3.191 . 0 0 "[ . 1 . 2]" 1
170 1 85 LEU HA 1 85 LEU MD2 . . 4.080 2.972 2.182 3.932 . 0 0 "[ . 1 . 2]" 1
171 1 107 GLU HA 1 107 GLU QG . . 2.900 2.452 2.039 2.745 . 0 0 "[ . 1 . 2]" 1
172 1 88 GLU HB2 1 88 GLU QG . . 2.550 2.292 2.149 2.504 . 0 0 "[ . 1 . 2]" 1
173 1 88 GLU HB3 1 88 GLU QG . . 2.550 2.339 2.130 2.489 . 0 0 "[ . 1 . 2]" 1
174 1 90 ARG QB 1 90 ARG QG . . 2.400 2.049 2.019 2.083 . 0 0 "[ . 1 . 2]" 1
175 1 91 LYS QB 1 91 LYS QE . . 3.600 2.084 1.964 2.197 . 0 0 "[ . 1 . 2]" 1
176 1 91 LYS QB 1 91 LYS QD . . 2.990 2.269 2.203 2.341 . 0 0 "[ . 1 . 2]" 1
177 1 92 LYS HA 1 92 LYS QE . . 3.330 3.002 1.999 3.333 0.003 3 0 "[ . 1 . 2]" 1
178 1 92 LYS QB 1 92 LYS QE . . 2.710 2.208 1.991 2.713 0.003 17 0 "[ . 1 . 2]" 1
179 1 120 LYS QE 1 120 LYS HG3 . . 3.090 2.627 2.024 3.079 . 0 0 "[ . 1 . 2]" 1
180 1 111 LYS HA 1 111 LYS QG . . 3.540 2.275 2.137 2.593 . 0 0 "[ . 1 . 2]" 1
181 1 93 VAL HB 1 94 ARG QD . . 5.500 5.213 4.497 5.513 0.013 4 0 "[ . 1 . 2]" 1
182 1 29 ILE MG 1 93 VAL MG2 . . 3.490 2.843 2.354 3.245 . 0 0 "[ . 1 . 2]" 1
183 1 89 GLU QB 1 93 VAL MG2 . . 4.730 3.947 3.704 4.177 . 0 0 "[ . 1 . 2]" 1
184 1 93 VAL MG2 1 94 ARG QG . . 4.910 3.270 2.397 4.138 . 0 0 "[ . 1 . 2]" 1
185 1 93 VAL HA 1 93 VAL MG2 . . 3.710 3.202 3.188 3.203 . 0 0 "[ . 1 . 2]" 1
186 1 90 ARG HA 1 93 VAL MG2 . . 4.290 2.273 1.937 2.416 . 0 0 "[ . 1 . 2]" 1
187 1 89 GLU HA 1 93 VAL MG2 . . 5.000 4.524 4.291 4.564 . 0 0 "[ . 1 . 2]" 1
188 1 91 LYS HA 1 93 VAL MG2 . . 5.280 4.306 4.208 4.447 . 0 0 "[ . 1 . 2]" 1
189 1 29 ILE MG 1 93 VAL MG1 . . 4.610 4.463 4.008 4.654 0.044 18 0 "[ . 1 . 2]" 1
190 1 27 LEU HG 1 93 VAL MG1 . . 3.570 2.730 1.921 3.649 0.079 20 0 "[ . 1 . 2]" 1
191 1 93 VAL MG1 1 97 PHE HB3 . . 5.330 5.163 4.971 5.339 0.009 7 0 "[ . 1 . 2]" 1
192 1 93 VAL HA 1 93 VAL MG1 . . 3.520 2.289 2.227 2.420 . 0 0 "[ . 1 . 2]" 1
193 1 89 GLU HA 1 93 VAL MG1 . . 4.090 3.911 3.558 4.109 0.019 3 0 "[ . 1 . 2]" 1
194 1 94 ARG HB3 1 94 ARG QD . . 3.670 2.981 2.119 3.407 . 0 0 "[ . 1 . 2]" 1
195 1 29 ILE MG 1 94 ARG QD . . 3.600 2.765 2.055 3.442 . 0 0 "[ . 1 . 2]" 1
196 1 94 ARG HA 1 94 ARG QD . . 3.420 2.450 1.988 3.194 . 0 0 "[ . 1 . 2]" 1
197 1 94 ARG HB2 1 94 ARG QD . . 3.670 2.864 2.151 3.525 . 0 0 "[ . 1 . 2]" 1
198 1 29 ILE MG 1 94 ARG QG . . 3.920 3.456 2.794 3.765 . 0 0 "[ . 1 . 2]" 1
199 1 92 LYS HA 1 95 GLU HG2 . . 3.830 2.646 2.323 3.188 . 0 0 "[ . 1 . 2]" 1
200 1 96 LYS HA 1 96 LYS HD2 . . 3.990 2.950 2.249 3.706 . 0 0 "[ . 1 . 2]" 1
201 1 96 LYS QB 1 96 LYS HE2 . . 3.880 2.521 1.985 3.510 . 0 0 "[ . 1 . 2]" 1
202 1 96 LYS QB 1 96 LYS HE3 . . 3.880 2.656 1.991 3.552 . 0 0 "[ . 1 . 2]" 1
203 1 96 LYS HA 1 96 LYS HE2 . . 4.470 3.869 2.900 4.376 . 0 0 "[ . 1 . 2]" 1
204 1 96 LYS HA 1 96 LYS HE3 . . 4.470 3.955 3.335 4.406 . 0 0 "[ . 1 . 2]" 1
205 1 105 TYR HA 1 105 TYR QD . . 4.030 2.472 1.916 3.013 . 0 0 "[ . 1 . 2]" 1
206 1 137 GLU HA 1 137 GLU HG2 . . 3.800 2.694 2.064 3.825 0.025 10 0 "[ . 1 . 2]" 1
207 1 128 GLU HA 1 128 GLU QG . . 3.760 2.782 2.289 3.448 . 0 0 "[ . 1 . 2]" 1
208 1 143 TYR HA 1 144 ILE HA . . 4.570 4.338 4.294 4.545 . 0 0 "[ . 1 . 2]" 1
209 1 105 TYR HA 1 105 TYR QE . . 5.420 4.308 4.168 4.483 . 0 0 "[ . 1 . 2]" 1
210 1 102 ARG HB2 1 102 ARG HG2 . . 2.790 2.671 2.662 2.709 . 0 0 "[ . 1 . 2]" 1
211 1 102 ARG HB3 1 102 ARG HD2 . . 4.160 4.008 3.955 4.033 . 0 0 "[ . 1 . 2]" 1
212 1 102 ARG HD2 1 103 MET HA . . 4.380 3.140 3.082 3.213 . 0 0 "[ . 1 . 2]" 1
213 1 102 ARG HA 1 102 ARG HD2 . . 4.180 4.148 4.095 4.190 0.010 5 0 "[ . 1 . 2]" 1
214 1 102 ARG HA 1 102 ARG HD3 . . 4.000 3.811 3.719 4.005 0.005 4 0 "[ . 1 . 2]" 1
215 1 102 ARG HB3 1 102 ARG HD3 . . 3.630 3.359 3.310 3.371 . 0 0 "[ . 1 . 2]" 1
216 1 102 ARG HB2 1 102 ARG HD2 . . 3.340 3.135 3.002 3.192 . 0 0 "[ . 1 . 2]" 1
217 1 102 ARG HB2 1 102 ARG HD3 . . 3.050 2.028 2.019 2.050 . 0 0 "[ . 1 . 2]" 1
218 1 103 MET HB3 1 108 LEU QD . . 3.950 2.948 2.503 3.581 . 0 0 "[ . 1 . 2]" 1
219 1 103 MET HB2 1 108 LEU QD . . 4.400 2.328 1.929 2.584 . 0 0 "[ . 1 . 2]" 1
220 1 100 ASN HA 1 103 MET HG2 . . 3.930 2.206 1.946 2.721 . 0 0 "[ . 1 . 2]" 1
221 1 100 ASN HA 1 103 MET HG3 . . 3.930 2.387 1.989 2.594 . 0 0 "[ . 1 . 2]" 1
222 1 103 MET HG3 1 108 LEU QD . . 4.380 3.856 3.122 4.197 . 0 0 "[ . 1 . 2]" 1
223 1 103 MET HG2 1 108 LEU QD . . 4.380 4.352 3.689 4.473 0.093 16 0 "[ . 1 . 2]" 1
224 1 104 GLN HA 1 104 GLN QG . . 2.970 2.450 2.243 2.873 . 0 0 "[ . 1 . 2]" 1
225 1 107 GLU QG 1 111 LYS QD . . 3.810 2.571 2.151 3.809 . 0 0 "[ . 1 . 2]" 1
226 1 88 GLU HA 1 88 GLU QG . . 3.080 2.252 2.066 2.500 . 0 0 "[ . 1 . 2]" 1
227 1 107 GLU QB 1 107 GLU QG . . 2.400 2.019 1.990 2.067 . 0 0 "[ . 1 . 2]" 1
228 1 116 LYS QB 1 116 LYS HE3 . . 3.850 3.207 2.171 3.781 . 0 0 "[ . 1 . 2]" 1
229 1 116 LYS HE3 1 116 LYS QG . . 3.450 2.790 2.147 3.491 0.041 10 0 "[ . 1 . 2]" 1
230 1 108 LEU HB3 1 108 LEU QD . . 3.260 2.285 1.979 2.377 . 0 0 "[ . 1 . 2]" 1
231 1 45 LEU HA 1 108 LEU QD . . 4.360 4.286 3.989 4.415 0.055 4 0 "[ . 1 . 2]" 1
232 1 110 THR HB 1 111 LYS QE . . 5.120 3.796 1.992 4.646 . 0 0 "[ . 1 . 2]" 1
233 1 110 THR HB 1 111 LYS QB . . 4.740 4.001 3.879 4.230 . 0 0 "[ . 1 . 2]" 1
234 1 111 LYS QB 1 111 LYS QD . . 3.170 2.131 1.991 2.916 . 0 0 "[ . 1 . 2]" 1
235 1 111 LYS HA 1 111 LYS QD . . 3.960 3.091 1.883 3.334 . 0 0 "[ . 1 . 2]" 1
236 1 111 LYS HA 1 111 LYS QE . . 3.040 2.064 1.940 2.812 . 0 0 "[ . 1 . 2]" 1
237 1 111 LYS QD 1 111 LYS QE . . 2.400 2.052 2.015 2.090 . 0 0 "[ . 1 . 2]" 1
238 1 111 LYS QE 1 111 LYS QG . . 2.400 2.110 1.963 2.424 0.024 10 0 "[ . 1 . 2]" 1
239 1 92 LYS HA 1 92 LYS HG3 . . 3.740 2.630 2.218 3.804 0.064 14 0 "[ . 1 . 2]" 1
240 1 127 LYS HA 1 127 LYS QG . . 3.710 2.541 2.315 2.757 . 0 0 "[ . 1 . 2]" 1
241 1 115 LEU HA 1 115 LEU MD1 . . 3.970 3.086 1.996 3.799 . 0 0 "[ . 1 . 2]" 1
242 1 115 LEU HA 1 115 LEU HG . . 3.790 3.232 2.694 3.704 . 0 0 "[ . 1 . 2]" 1
243 1 116 LYS QB 1 116 LYS QD . . 3.140 2.093 1.940 2.522 . 0 0 "[ . 1 . 2]" 1
244 1 116 LYS HA 1 116 LYS QD . . 4.400 4.133 3.501 4.430 0.030 9 0 "[ . 1 . 2]" 1
245 1 116 LYS HA 1 116 LYS QG . . 3.640 3.137 2.018 3.378 . 0 0 "[ . 1 . 2]" 1
246 1 117 LYS QB 1 117 LYS QE . . 3.750 3.027 1.985 3.649 . 0 0 "[ . 1 . 2]" 1
247 1 117 LYS QD 1 117 LYS QG . . 2.400 2.031 2.002 2.065 . 0 0 "[ . 1 . 2]" 1
248 1 117 LYS QB 1 117 LYS QD . . 2.800 2.310 1.969 2.835 0.035 3 0 "[ . 1 . 2]" 1
249 1 117 LYS HA 1 117 LYS QD . . 3.190 2.583 1.962 3.141 . 0 0 "[ . 1 . 2]" 1
250 1 117 LYS HA 1 117 LYS QE . . 3.060 2.526 2.017 3.112 0.052 3 0 "[ . 1 . 2]" 1
251 1 117 LYS QE 1 117 LYS QG . . 2.400 2.147 2.009 2.373 . 0 0 "[ . 1 . 2]" 1
252 1 117 LYS HA 1 117 LYS QG . . 3.370 2.581 2.264 3.077 . 0 0 "[ . 1 . 2]" 1
253 1 118 GLN HA 1 118 GLN QG . . 3.530 2.845 2.171 3.441 . 0 0 "[ . 1 . 2]" 1
254 1 120 LYS HB2 1 120 LYS QE . . 5.050 3.947 2.996 4.394 . 0 0 "[ . 1 . 2]" 1
255 1 120 LYS HB3 1 120 LYS QE . . 5.050 4.024 3.095 4.397 . 0 0 "[ . 1 . 2]" 1
256 1 120 LYS HD2 1 120 LYS QE . . 2.640 2.266 2.137 2.530 . 0 0 "[ . 1 . 2]" 1
257 1 120 LYS HD3 1 120 LYS QE . . 2.640 2.373 2.145 2.527 . 0 0 "[ . 1 . 2]" 1
258 1 120 LYS QE 1 120 LYS HG2 . . 3.090 2.405 2.008 3.088 . 0 0 "[ . 1 . 2]" 1
259 1 121 ILE HB 1 121 ILE MD . . 3.200 2.474 2.123 3.158 . 0 0 "[ . 1 . 2]" 1
260 1 121 ILE HB 1 121 ILE QG . . 2.650 2.359 2.163 2.512 . 0 0 "[ . 1 . 2]" 1
261 1 121 ILE MD 1 121 ILE MG . . 2.400 2.091 1.814 2.439 0.039 10 0 "[ . 1 . 2]" 1
262 1 121 ILE QG 1 121 ILE MG . . 2.850 2.306 2.152 2.522 . 0 0 "[ . 1 . 2]" 1
263 1 121 ILE HA 1 121 ILE MG . . 3.310 2.949 2.299 3.199 . 0 0 "[ . 1 . 2]" 1
264 1 122 LYS HB2 1 122 LYS QE . . 4.450 3.663 2.304 4.422 . 0 0 "[ . 1 . 2]" 1
265 1 81 LYS HA 1 81 LYS QE . . 3.230 2.395 1.938 3.222 . 0 0 "[ . 1 . 2]" 1
266 1 122 LYS HA 1 122 LYS QE . . 3.590 3.126 2.034 3.597 0.007 15 0 "[ . 1 . 2]" 1
267 1 56 LEU HA 1 56 LEU QD . . 3.490 2.543 2.199 3.090 . 0 0 "[ . 1 . 2]" 1
268 1 122 LYS HA 1 122 LYS QG . . 3.690 2.656 2.231 3.037 . 0 0 "[ . 1 . 2]" 1
269 1 126 VAL HA 1 126 VAL MG1 . . 3.220 3.197 3.191 3.201 . 0 0 "[ . 1 . 2]" 1
270 1 63 PHE HA 1 126 VAL MG1 . . 4.300 4.101 4.017 4.301 0.001 18 0 "[ . 1 . 2]" 1
271 1 126 VAL MG2 1 128 GLU HA . . 4.300 4.171 4.072 4.234 . 0 0 "[ . 1 . 2]" 1
272 1 127 LYS HB2 1 127 LYS QE . . 4.650 3.980 2.385 4.453 . 0 0 "[ . 1 . 2]" 1
273 1 127 LYS HB3 1 127 LYS QE . . 4.570 3.804 2.029 4.442 . 0 0 "[ . 1 . 2]" 1
274 1 127 LYS HB2 1 127 LYS QD . . 3.810 3.003 2.362 3.461 . 0 0 "[ . 1 . 2]" 1
275 1 127 LYS HB3 1 127 LYS QD . . 3.840 2.701 2.246 3.398 . 0 0 "[ . 1 . 2]" 1
276 1 127 LYS HA 1 127 LYS QD . . 3.610 2.144 1.976 2.352 . 0 0 "[ . 1 . 2]" 1
277 1 128 GLU QB 1 128 GLU QG . . 2.460 2.046 1.991 2.086 . 0 0 "[ . 1 . 2]" 1
278 1 65 VAL HA 1 129 VAL HB . . 4.110 1.899 1.857 1.926 . 0 0 "[ . 1 . 2]" 1
279 1 129 VAL MG2 1 135 LEU MD1 . . 3.610 2.840 1.905 3.648 0.038 19 0 "[ . 1 . 2]" 1
280 1 129 VAL MG2 1 135 LEU MD2 . . 3.610 2.698 1.862 3.450 . 0 0 "[ . 1 . 2]" 1
281 1 65 VAL HA 1 129 VAL MG2 . . 3.600 3.578 3.559 3.625 0.025 9 0 "[ . 1 . 2]" 1
282 1 129 VAL HA 1 129 VAL MG2 . . 3.170 2.088 2.035 2.323 . 0 0 "[ . 1 . 2]" 1
283 1 128 GLU HA 1 129 VAL MG2 . . 4.740 4.111 3.811 4.189 . 0 0 "[ . 1 . 2]" 1
284 1 129 VAL MG1 1 135 LEU MD1 . . 4.020 3.236 2.181 4.085 0.065 15 0 "[ . 1 . 2]" 1
285 1 129 VAL MG1 1 135 LEU MD2 . . 4.020 3.282 2.410 4.069 0.049 12 0 "[ . 1 . 2]" 1
286 1 65 VAL HA 1 129 VAL MG1 . . 3.440 2.812 2.713 2.903 . 0 0 "[ . 1 . 2]" 1
287 1 129 VAL HA 1 129 VAL MG1 . . 3.190 2.577 2.494 2.610 . 0 0 "[ . 1 . 2]" 1
288 1 129 VAL MG1 1 131 GLU HA . . 4.500 4.288 4.128 4.367 . 0 0 "[ . 1 . 2]" 1
289 1 131 GLU HA 1 131 GLU HG2 . . 3.860 2.990 2.156 3.909 0.049 20 0 "[ . 1 . 2]" 1
290 1 131 GLU HA 1 131 GLU HG3 . . 3.860 3.100 2.420 3.611 . 0 0 "[ . 1 . 2]" 1
291 1 132 GLU HA 1 132 GLU HG2 . . 3.470 2.857 2.039 3.587 0.117 6 0 "[ . 1 . 2]" 1
292 1 135 LEU HA 1 135 LEU MD1 . . 4.110 3.319 1.930 4.076 . 0 0 "[ . 1 . 2]" 1
293 1 63 PHE QD 1 135 LEU MD1 . . 4.120 3.797 2.989 4.234 0.114 10 0 "[ . 1 . 2]" 1
294 1 135 LEU HA 1 135 LEU MD2 . . 4.110 3.138 2.039 3.849 . 0 0 "[ . 1 . 2]" 1
295 1 137 GLU HA 1 137 GLU HG3 . . 3.800 3.446 2.939 3.774 . 0 0 "[ . 1 . 2]" 1
296 1 138 ASP QB 1 139 PRO HD3 . . 5.050 1.937 1.907 1.971 . 0 0 "[ . 1 . 2]" 1
297 1 30 ALA MB 1 140 ILE HB . . 5.110 4.041 3.747 4.246 . 0 0 "[ . 1 . 2]" 1
298 1 140 ILE MD 1 140 ILE MG . . 3.310 2.156 1.860 3.255 . 0 0 "[ . 1 . 2]" 1
299 1 140 ILE HB 1 140 ILE MD . . 3.240 3.060 2.383 3.229 . 0 0 "[ . 1 . 2]" 1
300 1 139 PRO HD3 1 140 ILE MD . . 4.280 4.089 3.951 4.256 . 0 0 "[ . 1 . 2]" 1
301 1 140 ILE HA 1 140 ILE MD . . 3.650 3.528 3.466 3.580 . 0 0 "[ . 1 . 2]" 1
302 1 140 ILE MD 1 141 TRP HA . . 4.050 3.445 2.766 3.854 . 0 0 "[ . 1 . 2]" 1
303 1 30 ALA MB 1 140 ILE QG . . 4.230 3.484 1.912 4.221 . 0 0 "[ . 1 . 2]" 1
304 1 102 ARG HD2 1 104 GLN QG . . 4.690 4.431 4.055 4.698 0.008 6 0 "[ . 1 . 2]" 1
305 1 31 PHE QD 1 144 ILE HB . . 4.860 3.876 2.190 4.892 0.032 18 0 "[ . 1 . 2]" 1
306 1 144 ILE HB 1 144 ILE MD . . 2.510 2.288 2.105 2.414 . 0 0 "[ . 1 . 2]" 1
307 1 144 ILE MD 1 144 ILE MG . . 2.550 2.240 1.949 2.550 0.000 14 0 "[ . 1 . 2]" 1
308 1 144 ILE HA 1 144 ILE HG12 . . 3.840 3.382 2.623 3.833 . 0 0 "[ . 1 . 2]" 1
309 1 144 ILE HA 1 144 ILE MG . . 2.580 2.274 2.145 2.392 . 0 0 "[ . 1 . 2]" 1
310 1 67 LEU HA 1 67 LEU HG . . 3.690 3.389 2.643 4.260 0.570 19 1 "[ . 1 . +2]" 1
311 1 44 ALA HA 1 109 MET ME . . 4.840 4.719 4.344 4.904 0.064 18 0 "[ . 1 . 2]" 1
312 1 81 LYS HA 1 81 LYS QG . . 3.180 2.500 2.005 3.200 0.020 6 0 "[ . 1 . 2]" 1
313 1 67 LEU HG 1 131 GLU HA . . 4.130 4.168 3.770 4.336 0.206 9 0 "[ . 1 . 2]" 1
314 1 93 VAL HA 1 97 PHE QD . . 5.020 4.944 4.782 5.086 0.066 19 0 "[ . 1 . 2]" 1
315 1 94 ARG HA 1 97 PHE QE . . 4.510 2.758 2.359 3.012 . 0 0 "[ . 1 . 2]" 1
316 1 68 TYR HA 1 68 TYR QD . . 3.410 2.746 2.274 3.156 . 0 0 "[ . 1 . 2]" 1
317 1 68 TYR HA 1 68 TYR QE . . 4.720 4.631 4.292 4.742 0.022 5 0 "[ . 1 . 2]" 1
318 1 67 LEU HA 1 68 TYR QD . . 4.630 4.299 3.476 4.599 . 0 0 "[ . 1 . 2]" 1
319 1 66 ASP HA 1 71 LYS HA . . 4.020 2.090 1.875 2.508 . 0 0 "[ . 1 . 2]" 1
320 1 66 ASP HA 1 71 LYS QD . . 5.110 4.512 3.918 5.188 0.078 7 0 "[ . 1 . 2]" 1
321 1 61 ASN HA 1 75 ILE MD . . 5.500 5.423 5.030 5.582 0.082 17 0 "[ . 1 . 2]" 1
322 1 71 LYS HA 1 71 LYS QD . . 4.370 3.687 3.504 4.012 . 0 0 "[ . 1 . 2]" 1
323 1 42 VAL HA 1 75 ILE MG . . 4.180 3.788 3.577 4.149 . 0 0 "[ . 1 . 2]" 1
324 1 93 VAL HA 1 96 LYS QG . . 4.650 3.671 3.515 3.871 . 0 0 "[ . 1 . 2]" 1
325 1 51 SER HA 1 53 PHE QB . . 5.500 5.432 4.397 5.759 0.259 19 0 "[ . 1 . 2]" 1
326 1 30 ALA HA 1 136 TRP HD1 . . 5.160 4.027 3.692 4.648 . 0 0 "[ . 1 . 2]" 1
327 1 33 THR HB 1 38 ASP HA . . 5.120 4.552 3.586 5.162 0.042 11 0 "[ . 1 . 2]" 1
328 1 37 LEU HA 1 38 ASP HA . . 5.500 4.737 4.492 5.341 . 0 0 "[ . 1 . 2]" 1
329 1 41 LEU HA 1 44 ALA MB . . 3.680 2.360 2.206 2.458 . 0 0 "[ . 1 . 2]" 1
330 1 41 LEU HA 1 42 VAL HA . . 5.000 4.796 4.768 4.834 . 0 0 "[ . 1 . 2]" 1
331 1 31 PHE QD 1 42 VAL HA . . 4.970 3.880 3.583 4.425 . 0 0 "[ . 1 . 2]" 1
332 1 30 ALA MB 1 31 PHE HA . . 4.600 3.988 3.902 4.057 . 0 0 "[ . 1 . 2]" 1
333 1 42 VAL HA 1 108 LEU QD . . 5.500 5.523 5.448 5.570 0.070 8 0 "[ . 1 . 2]" 1
334 1 84 GLU HA 1 90 ARG HD3 . . 5.500 5.413 4.842 5.610 0.110 20 0 "[ . 1 . 2]" 1
335 1 84 GLU HA 1 84 GLU QG . . 3.900 2.360 2.100 3.008 . 0 0 "[ . 1 . 2]" 1
336 1 45 LEU HA 1 46 ALA HA . . 4.900 4.801 4.754 4.856 . 0 0 "[ . 1 . 2]" 1
337 1 45 LEU HA 1 46 ALA MB . . 5.240 5.003 4.987 5.024 . 0 0 "[ . 1 . 2]" 1
338 1 45 LEU HA 1 45 LEU MD1 . . 3.910 3.387 3.272 3.468 . 0 0 "[ . 1 . 2]" 1
339 1 77 PHE QE 1 78 GLN HA . . 4.570 4.517 4.101 4.650 0.080 16 0 "[ . 1 . 2]" 1
340 1 59 LYS HA 1 59 LYS HD2 . . 4.260 2.797 1.996 4.019 . 0 0 "[ . 1 . 2]" 1
341 1 59 LYS HA 1 59 LYS HG2 . . 4.020 3.404 3.165 3.634 . 0 0 "[ . 1 . 2]" 1
342 1 70 GLN HA 1 72 TYR QE . . 4.510 4.415 3.989 4.596 0.086 14 0 "[ . 1 . 2]" 1
343 1 70 GLN QB 1 71 LYS HA . . 5.500 4.255 4.133 4.790 . 0 0 "[ . 1 . 2]" 1
344 1 72 TYR HA 1 72 TYR QE . . 4.860 4.630 4.443 4.870 0.010 17 0 "[ . 1 . 2]" 1
345 1 74 ARG HA 1 74 ARG HD2 . . 4.590 3.752 2.869 4.580 . 0 0 "[ . 1 . 2]" 1
346 1 74 ARG HA 1 74 ARG HD3 . . 4.590 3.526 2.202 4.666 0.076 10 0 "[ . 1 . 2]" 1
347 1 74 ARG HA 1 140 ILE QG . . 5.230 4.667 3.916 5.255 0.025 4 0 "[ . 1 . 2]" 1
348 1 32 GLN HA 1 74 ARG HA . . 4.360 2.422 2.080 2.769 . 0 0 "[ . 1 . 2]" 1
349 1 76 LEU QB 1 77 PHE HA . . 4.530 4.307 4.224 4.395 . 0 0 "[ . 1 . 2]" 1
350 1 70 GLN HA 1 71 LYS HA . . 5.020 4.390 4.375 4.409 . 0 0 "[ . 1 . 2]" 1
351 1 72 TYR HA 1 73 PHE QD . . 5.500 2.986 2.844 3.372 . 0 0 "[ . 1 . 2]" 1
352 1 80 LYS HA 1 80 LYS QG . . 3.210 2.433 2.054 3.033 . 0 0 "[ . 1 . 2]" 1
353 1 80 LYS HA 1 80 LYS QD . . 3.730 2.797 2.025 3.712 . 0 0 "[ . 1 . 2]" 1
354 1 27 LEU HA 1 82 LEU HA . . 3.700 3.291 2.652 3.792 0.092 5 0 "[ . 1 . 2]" 1
355 1 87 PRO HA 1 90 ARG HD2 . . 4.810 3.927 3.039 4.724 . 0 0 "[ . 1 . 2]" 1
356 1 87 PRO HA 1 90 ARG HD3 . . 4.810 3.193 2.121 4.814 0.004 20 0 "[ . 1 . 2]" 1
357 1 91 LYS HG3 1 92 LYS HA . . 3.720 3.446 3.283 3.600 . 0 0 "[ . 1 . 2]" 1
358 1 90 ARG HA 1 90 ARG HD2 . . 5.210 4.254 2.836 4.789 . 0 0 "[ . 1 . 2]" 1
359 1 90 ARG HA 1 90 ARG HD3 . . 5.210 4.144 3.512 4.948 . 0 0 "[ . 1 . 2]" 1
360 1 91 LYS HA 1 91 LYS QE . . 4.500 4.319 4.045 4.482 . 0 0 "[ . 1 . 2]" 1
361 1 91 LYS HA 1 91 LYS QD . . 4.480 4.457 4.396 4.530 0.050 4 0 "[ . 1 . 2]" 1
362 1 91 LYS HA 1 91 LYS HG2 . . 3.740 3.717 3.633 3.748 0.008 16 0 "[ . 1 . 2]" 1
363 1 91 LYS HA 1 91 LYS HG3 . . 4.000 3.785 3.745 3.897 . 0 0 "[ . 1 . 2]" 1
364 1 92 LYS HA 1 92 LYS HG2 . . 3.740 3.504 2.683 3.746 0.006 11 0 "[ . 1 . 2]" 1
365 1 92 LYS HA 1 95 GLU HG3 . . 3.830 3.448 2.650 3.768 . 0 0 "[ . 1 . 2]" 1
366 1 92 LYS HA 1 93 VAL HA . . 5.280 4.742 4.730 4.765 . 0 0 "[ . 1 . 2]" 1
367 1 93 VAL HA 1 96 LYS HA . . 5.310 5.051 4.986 5.185 . 0 0 "[ . 1 . 2]" 1
368 1 93 VAL HA 1 96 LYS QB . . 4.960 2.273 2.142 2.410 . 0 0 "[ . 1 . 2]" 1
369 1 93 VAL HA 1 94 ARG HA . . 5.070 4.831 4.785 4.861 . 0 0 "[ . 1 . 2]" 1
370 1 94 ARG HA 1 95 GLU HA . . 4.870 4.716 4.704 4.721 . 0 0 "[ . 1 . 2]" 1
371 1 94 ARG HA 1 94 ARG QG . . 3.790 2.387 2.024 2.638 . 0 0 "[ . 1 . 2]" 1
372 1 96 LYS HA 1 96 LYS HD3 . . 3.990 2.870 2.005 3.678 . 0 0 "[ . 1 . 2]" 1
373 1 99 GLU HA 1 99 GLU HG2 . . 3.840 2.773 2.327 3.681 . 0 0 "[ . 1 . 2]" 1
374 1 102 ARG HA 1 102 ARG HG3 . . 3.620 3.594 3.582 3.602 . 0 0 "[ . 1 . 2]" 1
375 1 100 ASN HA 1 103 MET ME . . 4.170 3.535 2.951 4.299 0.129 9 0 "[ . 1 . 2]" 1
376 1 103 MET HA 1 103 MET HG2 . . 3.770 2.639 2.279 2.922 . 0 0 "[ . 1 . 2]" 1
377 1 103 MET HA 1 103 MET HG3 . . 3.770 3.643 3.567 3.708 . 0 0 "[ . 1 . 2]" 1
378 1 103 MET HA 1 103 MET HB3 . . 2.730 2.636 2.547 2.687 . 0 0 "[ . 1 . 2]" 1
379 1 108 LEU HA 1 108 LEU HG . . 3.990 3.577 2.156 3.664 . 0 0 "[ . 1 . 2]" 1
380 1 44 ALA MB 1 109 MET HA . . 4.510 4.172 3.794 4.459 . 0 0 "[ . 1 . 2]" 1
381 1 112 TYR HA 1 121 ILE MG . . 4.980 4.755 3.631 5.048 0.068 2 0 "[ . 1 . 2]" 1
382 1 113 HIS HA 1 116 LYS QD . . 5.020 3.163 1.950 4.781 . 0 0 "[ . 1 . 2]" 1
383 1 115 LEU HA 1 115 LEU MD2 . . 3.970 2.101 1.896 2.356 . 0 0 "[ . 1 . 2]" 1
384 1 107 GLU QG 1 108 LEU HA . . 5.270 4.411 3.115 5.050 . 0 0 "[ . 1 . 2]" 1
385 1 121 ILE HA 1 121 ILE MD . . 4.050 3.828 3.475 4.136 0.086 4 0 "[ . 1 . 2]" 1
386 1 126 VAL HA 1 126 VAL MG2 . . 3.590 2.292 2.219 2.327 . 0 0 "[ . 1 . 2]" 1
387 1 127 LYS HA 1 127 LYS QE . . 4.060 3.560 2.122 4.043 . 0 0 "[ . 1 . 2]" 1
388 1 126 VAL MG1 1 128 GLU HA . . 4.710 4.458 4.290 4.734 0.024 18 0 "[ . 1 . 2]" 1
389 1 129 VAL HA 1 130 HIS HA . . 5.330 4.401 4.368 4.412 . 0 0 "[ . 1 . 2]" 1
390 1 135 LEU QB 1 136 TRP HA . . 4.450 4.231 3.907 4.429 . 0 0 "[ . 1 . 2]" 1
391 1 138 ASP HA 1 139 PRO HA . . 4.850 4.823 4.819 4.828 . 0 0 "[ . 1 . 2]" 1
392 1 30 ALA HA 1 76 LEU HA . . 4.730 2.757 2.575 2.928 . 0 0 "[ . 1 . 2]" 1
393 1 76 LEU QB 1 135 LEU QB . . 5.260 4.250 3.543 5.016 . 0 0 "[ . 1 . 2]" 1
394 1 76 LEU QB 1 140 ILE MD . . 5.500 5.635 5.560 5.721 0.221 18 0 "[ . 1 . 2]" 1
395 1 144 ILE HA 1 144 ILE HG13 . . 3.840 3.279 2.562 3.751 . 0 0 "[ . 1 . 2]" 1
396 1 43 GLN QB 1 112 TYR QE . . 4.850 4.040 2.960 4.871 0.021 18 0 "[ . 1 . 2]" 1
397 1 63 PHE QD 1 127 LYS QG . . 4.480 4.373 4.197 4.508 0.028 3 0 "[ . 1 . 2]" 1
398 1 116 LYS QG 1 117 LYS HA . . 4.760 3.755 2.797 5.216 0.456 20 0 "[ . 1 . 2]" 1
399 1 33 THR MG 1 42 VAL MG1 . . 3.480 3.100 2.738 3.403 . 0 0 "[ . 1 . 2]" 1
400 1 76 LEU QD 1 77 PHE HB2 . . 4.790 4.604 4.533 4.786 . 0 0 "[ . 1 . 2]" 1
401 1 45 LEU MD2 1 75 ILE HB . . 4.830 4.698 4.403 4.849 0.019 18 0 "[ . 1 . 2]" 1
402 1 42 VAL HA 1 45 LEU MD2 . . 4.030 1.925 1.890 1.987 . 0 0 "[ . 1 . 2]" 1
403 1 45 LEU HA 1 45 LEU MD2 . . 4.290 4.124 4.101 4.134 . 0 0 "[ . 1 . 2]" 1
404 1 30 ALA MB 1 75 ILE MD . . 4.420 3.979 3.641 4.149 . 0 0 "[ . 1 . 2]" 1
405 1 75 ILE MD 1 76 LEU QB . . 4.730 4.090 3.969 4.199 . 0 0 "[ . 1 . 2]" 1
406 1 75 ILE MD 1 77 PHE HB2 . . 4.250 2.727 2.535 2.888 . 0 0 "[ . 1 . 2]" 1
407 1 46 ALA HA 1 62 ILE MD . . 5.000 5.025 4.554 5.132 0.132 12 0 "[ . 1 . 2]" 1
408 1 103 MET HB2 1 108 LEU HA . . 4.630 4.454 4.124 4.657 0.027 11 0 "[ . 1 . 2]" 1
409 1 76 LEU QD 1 136 TRP HD1 . . 3.780 2.646 2.138 3.016 . 0 0 "[ . 1 . 2]" 1
410 1 97 PHE HB2 1 98 ASP HA . . 5.340 5.206 5.126 5.279 . 0 0 "[ . 1 . 2]" 1
411 1 97 PHE QE 1 98 ASP HA . . 3.970 3.752 3.699 3.781 . 0 0 "[ . 1 . 2]" 1
412 1 27 LEU HA 1 27 LEU MD2 . . 4.150 2.619 1.922 3.438 . 0 0 "[ . 1 . 2]" 1
413 1 29 ILE QG 1 29 ILE MG . . 2.890 2.481 2.467 2.492 . 0 0 "[ . 1 . 2]" 1
414 1 37 LEU HA 1 37 LEU MD1 . . 4.020 3.085 2.018 4.104 0.084 7 0 "[ . 1 . 2]" 1
415 1 38 ASP HA 1 39 GLU HA . . 5.250 4.873 4.760 4.910 . 0 0 "[ . 1 . 2]" 1
416 1 45 LEU HB3 1 108 LEU QD . . 4.780 3.793 3.494 4.014 . 0 0 "[ . 1 . 2]" 1
417 1 45 LEU HB3 1 46 ALA MB . . 5.310 5.180 5.111 5.247 . 0 0 "[ . 1 . 2]" 1
418 1 45 LEU HB3 1 45 LEU MD1 . . 3.410 3.124 3.112 3.134 . 0 0 "[ . 1 . 2]" 1
419 1 48 VAL HA 1 48 VAL MG1 . . 3.320 2.644 2.272 3.203 . 0 0 "[ . 1 . 2]" 1
420 1 53 PHE HA 1 53 PHE QE . . 4.450 4.541 4.135 5.634 1.184 13 3 "[ . 1 + .*- 2]" 1
421 1 62 ILE MG 1 75 ILE HA . . 4.410 2.784 2.233 2.990 . 0 0 "[ . 1 . 2]" 1
422 1 34 ILE QG 1 34 ILE MG . . 2.600 2.089 1.973 2.578 . 0 0 "[ . 1 . 2]" 1
423 1 76 LEU HG 1 135 LEU QB . . 3.920 3.852 2.736 4.176 0.256 9 0 "[ . 1 . 2]" 1
424 1 29 ILE MD 1 93 VAL HB . . 3.480 2.909 2.244 3.291 . 0 0 "[ . 1 . 2]" 1
425 1 75 ILE HB 1 75 ILE MD . . 3.110 2.147 2.093 2.190 . 0 0 "[ . 1 . 2]" 1
426 1 75 ILE HA 1 75 ILE MD . . 4.070 3.323 3.239 3.412 . 0 0 "[ . 1 . 2]" 1
427 1 93 VAL MG1 1 96 LYS QB . . 4.130 3.795 3.712 3.983 . 0 0 "[ . 1 . 2]" 1
428 1 42 VAL MG1 1 45 LEU MD2 . . 3.790 3.113 2.864 3.386 . 0 0 "[ . 1 . 2]" 1
429 1 87 PRO HA 1 90 ARG QB . . 4.280 2.908 2.147 3.795 . 0 0 "[ . 1 . 2]" 1
430 1 84 GLU HA 1 90 ARG HD2 . . 5.500 5.348 4.246 5.596 0.096 4 0 "[ . 1 . 2]" 1
431 1 111 LYS QD 1 115 LEU HG . . 4.400 4.357 2.422 4.656 0.256 9 0 "[ . 1 . 2]" 1
432 1 111 LYS QE 1 115 LEU HG . . 3.590 3.092 2.253 4.043 0.453 20 0 "[ . 1 . 2]" 1
433 1 110 THR HA 1 114 ASP HB2 . . 4.600 2.601 2.147 3.099 . 0 0 "[ . 1 . 2]" 1
434 1 111 LYS HA 1 114 ASP HB3 . . 4.330 3.854 3.089 4.253 . 0 0 "[ . 1 . 2]" 1
435 1 63 PHE HA 1 127 LYS QG . . 5.240 4.683 4.231 5.076 . 0 0 "[ . 1 . 2]" 1
436 1 58 ILE MG 1 77 PHE QE . . 4.620 4.511 4.273 4.656 0.036 6 0 "[ . 1 . 2]" 1
437 1 109 MET HB2 1 110 THR HA . . 5.030 4.943 4.620 5.080 0.050 5 0 "[ . 1 . 2]" 1
438 1 109 MET HB3 1 110 THR HA . . 4.830 4.040 3.957 4.155 . 0 0 "[ . 1 . 2]" 1
439 1 105 TYR HB3 1 109 MET HB2 . . 5.180 4.629 4.232 5.213 0.033 14 0 "[ . 1 . 2]" 1
440 1 105 TYR HA 1 109 MET HB2 . . 4.570 4.580 4.433 4.650 0.080 7 0 "[ . 1 . 2]" 1
441 1 105 TYR HA 1 108 LEU HB2 . . 3.910 2.520 2.215 2.703 . 0 0 "[ . 1 . 2]" 1
442 1 105 TYR QE 1 109 MET HA . . 5.500 5.080 4.399 5.527 0.027 19 0 "[ . 1 . 2]" 1
443 1 105 TYR QD 1 109 MET HA . . 4.890 4.844 4.581 5.132 0.242 2 0 "[ . 1 . 2]" 1
444 1 105 TYR QE 1 109 MET HB2 . . 5.500 4.600 3.736 5.471 . 0 0 "[ . 1 . 2]" 1
445 1 105 TYR QD 1 109 MET HB2 . . 4.930 3.412 2.608 4.355 . 0 0 "[ . 1 . 2]" 1
446 1 110 THR HA 1 114 ASP HA . . 4.890 4.883 4.638 5.096 0.206 18 0 "[ . 1 . 2]" 1
447 1 106 SER HB2 1 110 THR HB . . 5.500 5.527 5.266 5.700 0.200 16 0 "[ . 1 . 2]" 1
448 1 106 SER HB3 1 110 THR HB . . 5.500 5.518 5.174 5.693 0.193 11 0 "[ . 1 . 2]" 1
449 1 107 GLU HA 1 111 LYS QE . . 4.820 4.584 2.471 4.885 0.065 10 0 "[ . 1 . 2]" 1
450 1 107 GLU HA 1 111 LYS QD . . 4.130 4.119 3.731 4.484 0.354 20 0 "[ . 1 . 2]" 1
451 1 108 LEU HA 1 112 TYR QB . . 4.720 4.634 4.367 4.814 0.094 18 0 "[ . 1 . 2]" 1
452 1 110 THR HB 1 114 ASP HB2 . . 5.040 4.474 4.248 4.782 . 0 0 "[ . 1 . 2]" 1
453 1 110 THR HA 1 111 LYS HA . . 5.280 4.744 4.713 4.781 . 0 0 "[ . 1 . 2]" 1
454 1 111 LYS HA 1 115 LEU HA . . 5.500 4.618 3.772 5.195 . 0 0 "[ . 1 . 2]" 1
455 1 111 LYS HA 1 115 LEU HG . . 3.630 3.005 1.883 3.680 0.050 11 0 "[ . 1 . 2]" 1
456 1 111 LYS QG 1 115 LEU HG . . 3.450 2.651 2.334 3.450 . 0 0 "[ . 1 . 2]" 1
457 1 108 LEU QD 1 112 TYR QD . . 4.960 4.646 4.251 4.923 . 0 0 "[ . 1 . 2]" 1
458 1 114 ASP HA 1 116 LYS QD . . 4.520 4.365 2.481 4.697 0.177 10 0 "[ . 1 . 2]" 1
459 1 44 ALA HA 1 121 ILE MD . . 5.020 3.719 2.765 4.854 . 0 0 "[ . 1 . 2]" 1
460 1 109 MET HA 1 109 MET ME . . 3.060 2.153 1.959 2.518 . 0 0 "[ . 1 . 2]" 1
461 1 108 LEU QD 1 109 MET ME . . 3.290 3.096 2.632 3.355 0.065 12 0 "[ . 1 . 2]" 1
462 1 103 MET HA 1 103 MET ME . . 2.900 2.619 2.219 2.963 0.063 15 0 "[ . 1 . 2]" 1
463 1 108 LEU QD 1 109 MET HA . . 4.000 3.758 3.569 3.911 . 0 0 "[ . 1 . 2]" 1
464 1 94 ARG HA 1 97 PHE HB3 . . 4.700 3.983 3.794 4.198 . 0 0 "[ . 1 . 2]" 1
465 1 96 LYS QB 1 97 PHE HB3 . . 4.590 3.711 3.590 3.818 . 0 0 "[ . 1 . 2]" 1
466 1 63 PHE QD 1 129 VAL MG2 . . 3.730 2.040 1.863 2.413 . 0 0 "[ . 1 . 2]" 1
467 1 63 PHE QE 1 129 VAL MG2 . . 4.340 3.318 3.063 3.538 . 0 0 "[ . 1 . 2]" 1
468 1 63 PHE QD 1 135 LEU MD2 . . 4.120 3.672 3.024 4.176 0.056 19 0 "[ . 1 . 2]" 1
469 1 130 HIS HA 1 130 HIS HD1 . . 4.820 3.460 2.119 4.683 . 0 0 "[ . 1 . 2]" 1
470 1 143 TYR HA 1 143 TYR QD . . 3.820 2.662 2.048 3.724 . 0 0 "[ . 1 . 2]" 1
471 1 143 TYR QD 1 144 ILE MD . . 4.630 3.509 1.925 4.631 0.001 20 0 "[ . 1 . 2]" 1
472 1 96 LYS QG 1 97 PHE HA . . 5.300 4.369 3.391 5.234 . 0 0 "[ . 1 . 2]" 1
473 1 108 LEU QD 1 112 TYR QB . . 3.970 3.420 3.224 3.712 . 0 0 "[ . 1 . 2]" 1
474 1 108 LEU HA 1 108 LEU QD . . 3.160 2.033 1.885 2.941 . 0 0 "[ . 1 . 2]" 1
475 1 34 ILE MD 1 72 TYR QD . . 5.150 4.378 3.565 5.170 0.020 10 0 "[ . 1 . 2]" 1
476 1 34 ILE MD 1 72 TYR QE . . 5.500 4.870 3.302 5.596 0.096 11 0 "[ . 1 . 2]" 1
477 1 122 LYS HB3 1 122 LYS QE . . 4.450 2.684 1.999 4.087 . 0 0 "[ . 1 . 2]" 1
478 1 44 ALA MB 1 108 LEU QD . . 2.760 1.931 1.828 2.103 . 0 0 "[ . 1 . 2]" 1
479 1 44 ALA MB 1 112 TYR QE . . 4.710 4.413 3.764 4.732 0.022 18 0 "[ . 1 . 2]" 1
480 1 44 ALA MB 1 112 TYR QD . . 4.950 3.293 2.538 3.685 . 0 0 "[ . 1 . 2]" 1
481 1 44 ALA HA 1 112 TYR QE . . 4.540 3.854 3.174 4.488 . 0 0 "[ . 1 . 2]" 1
482 1 44 ALA MB 1 112 TYR QB . . 3.790 2.285 1.927 2.747 . 0 0 "[ . 1 . 2]" 1
483 1 29 ILE MD 1 93 VAL MG1 . . 4.690 3.703 3.135 3.974 . 0 0 "[ . 1 . 2]" 1
484 1 29 ILE MG 1 97 PHE QD . . 3.360 2.972 2.685 3.204 . 0 0 "[ . 1 . 2]" 1
485 1 97 PHE QD 1 98 ASP HA . . 4.540 3.768 3.685 3.804 . 0 0 "[ . 1 . 2]" 1
486 1 76 LEU HG 1 140 ILE MD . . 5.470 4.970 4.725 5.297 . 0 0 "[ . 1 . 2]" 1
487 1 30 ALA MB 1 140 ILE MD . . 3.830 3.050 1.995 3.846 0.016 8 0 "[ . 1 . 2]" 1
488 1 29 ILE MD 1 94 ARG HA . . 4.920 4.812 4.476 4.971 0.051 4 0 "[ . 1 . 2]" 1
489 1 29 ILE MD 1 93 VAL MG2 . . 3.420 3.106 2.809 3.454 0.034 20 0 "[ . 1 . 2]" 1
490 1 62 ILE MG 1 75 ILE MG . . 3.710 1.771 1.697 1.833 . 0 0 "[ . 1 . 2]" 1
491 1 62 ILE MG 1 75 ILE QG . . 3.720 3.738 3.622 3.807 0.087 16 0 "[ . 1 . 2]" 1
492 1 62 ILE MG 1 75 ILE HB . . 3.790 2.209 1.985 2.436 . 0 0 "[ . 1 . 2]" 1
493 1 62 ILE MG 1 126 VAL HA . . 5.120 5.001 4.808 5.182 0.062 9 0 "[ . 1 . 2]" 1
494 1 62 ILE MG 1 73 PHE QD . . 4.300 4.019 3.605 4.338 0.038 6 0 "[ . 1 . 2]" 1
495 1 62 ILE MG 1 63 PHE QD . . 5.150 5.012 4.893 5.169 0.019 6 0 "[ . 1 . 2]" 1
496 1 64 LEU MD1 1 73 PHE QE . . 4.630 3.397 2.289 4.634 0.004 5 0 "[ . 1 . 2]" 1
497 1 64 LEU MD2 1 73 PHE QE . . 4.630 3.085 2.450 4.213 . 0 0 "[ . 1 . 2]" 1
498 1 112 TYR QD 1 121 ILE MD . . 4.940 3.232 2.432 4.184 . 0 0 "[ . 1 . 2]" 1
499 1 112 TYR QE 1 121 ILE MD . . 3.640 1.987 1.882 2.448 . 0 0 "[ . 1 . 2]" 1
500 1 112 TYR QD 1 121 ILE MG . . 3.940 3.291 1.998 3.898 . 0 0 "[ . 1 . 2]" 1
501 1 112 TYR QE 1 121 ILE MG . . 3.250 2.348 1.895 3.306 0.056 9 0 "[ . 1 . 2]" 1
502 1 43 GLN HA 1 121 ILE MD . . 4.330 3.916 2.845 4.415 0.085 9 0 "[ . 1 . 2]" 1
503 1 136 TRP HA 1 136 TRP HD1 . . 4.960 4.428 3.430 4.638 . 0 0 "[ . 1 . 2]" 1
504 1 76 LEU HG 1 136 TRP HA . . 5.500 5.572 5.506 5.718 0.218 14 0 "[ . 1 . 2]" 1
505 1 75 ILE MD 1 76 LEU HG . . 5.280 5.183 5.053 5.316 0.036 15 0 "[ . 1 . 2]" 1
506 1 76 LEU HG 1 136 TRP HD1 . . 3.620 2.461 1.999 3.198 . 0 0 "[ . 1 . 2]" 1
507 1 63 PHE QD 1 127 LYS HB2 . . 4.890 3.446 3.141 3.973 . 0 0 "[ . 1 . 2]" 1
508 1 63 PHE QD 1 127 LYS HB3 . . 4.910 4.089 3.310 4.822 . 0 0 "[ . 1 . 2]" 1
509 1 31 PHE QD 1 75 ILE MG . . 4.300 2.808 2.230 3.198 . 0 0 "[ . 1 . 2]" 1
510 1 31 PHE HA 1 75 ILE MG . . 5.040 5.062 4.741 5.237 0.197 18 0 "[ . 1 . 2]" 1
511 1 31 PHE QD 1 144 ILE MG . . 3.720 2.843 2.029 3.725 0.005 20 0 "[ . 1 . 2]" 1
512 1 137 GLU HA 1 140 ILE MD . . 3.650 2.719 2.276 3.542 . 0 0 "[ . 1 . 2]" 1
513 1 92 LYS QB 1 93 VAL MG1 . . 3.540 3.058 2.799 3.280 . 0 0 "[ . 1 . 2]" 1
514 1 82 LEU HB3 1 82 LEU MD2 . . 3.330 2.383 1.969 3.172 . 0 0 "[ . 1 . 2]" 1
515 1 82 LEU HB2 1 82 LEU MD2 . . 3.330 2.756 2.125 3.186 . 0 0 "[ . 1 . 2]" 1
516 1 82 LEU HB3 1 82 LEU MD1 . . 3.330 2.653 2.002 3.193 . 0 0 "[ . 1 . 2]" 1
517 1 82 LEU HB2 1 82 LEU MD1 . . 3.330 2.436 2.037 3.180 . 0 0 "[ . 1 . 2]" 1
518 1 126 VAL HA 1 127 LYS H . . 3.100 2.183 2.179 2.187 . 0 0 "[ . 1 . 2]" 1
519 1 126 VAL HB 1 127 LYS H . . 4.370 4.166 4.139 4.183 . 0 0 "[ . 1 . 2]" 1
520 1 127 LYS H 1 127 LYS HB2 . . 3.370 2.252 2.158 2.408 . 0 0 "[ . 1 . 2]" 1
521 1 127 LYS H 1 127 LYS HB3 . . 3.840 3.393 3.010 3.625 . 0 0 "[ . 1 . 2]" 1
522 1 126 VAL MG2 1 127 LYS H . . 3.090 2.434 2.380 2.471 . 0 0 "[ . 1 . 2]" 1
523 1 76 LEU H 1 76 LEU QD . . 3.950 3.853 3.820 3.873 . 0 0 "[ . 1 . 2]" 1
524 1 76 LEU H 1 76 LEU HG . . 4.670 4.574 4.472 4.643 . 0 0 "[ . 1 . 2]" 1
525 1 29 ILE H 1 30 ALA H . . 4.430 4.380 4.357 4.438 0.008 8 0 "[ . 1 . 2]" 1
526 1 29 ILE HB 1 30 ALA H . . 3.020 2.867 2.829 3.047 0.027 18 0 "[ . 1 . 2]" 1
527 1 59 LYS H 1 59 LYS QE . . 4.760 4.058 1.932 4.766 0.006 14 0 "[ . 1 . 2]" 1
528 1 65 VAL H 1 66 ASP H . . 4.590 4.497 4.468 4.533 . 0 0 "[ . 1 . 2]" 1
529 1 127 LYS HA 1 128 GLU H . . 2.730 2.214 2.180 2.247 . 0 0 "[ . 1 . 2]" 1
530 1 128 GLU H 1 128 GLU QG . . 3.590 2.652 1.983 3.532 . 0 0 "[ . 1 . 2]" 1
531 1 127 LYS HB2 1 128 GLU H . . 4.360 4.239 4.044 4.365 0.005 7 0 "[ . 1 . 2]" 1
532 1 127 LYS HB3 1 128 GLU H . . 3.540 3.173 2.939 3.551 0.011 7 0 "[ . 1 . 2]" 1
533 1 58 ILE QG 1 59 LYS H . . 3.800 2.554 2.156 2.856 . 0 0 "[ . 1 . 2]" 1
534 1 126 VAL MG2 1 128 GLU H . . 5.200 4.780 4.724 4.820 . 0 0 "[ . 1 . 2]" 1
535 1 64 LEU QB 1 65 VAL H . . 4.030 3.742 3.612 3.861 . 0 0 "[ . 1 . 2]" 1
536 1 125 PRO HA 1 126 VAL H . . 3.060 2.205 2.164 2.271 . 0 0 "[ . 1 . 2]" 1
537 1 104 GLN HA 1 105 TYR H . . 2.910 2.359 2.240 2.494 . 0 0 "[ . 1 . 2]" 1
538 1 105 TYR H 1 105 TYR HB2 . . 3.180 2.165 2.066 2.423 . 0 0 "[ . 1 . 2]" 1
539 1 105 TYR H 1 105 TYR HB3 . . 3.480 3.053 2.638 3.307 . 0 0 "[ . 1 . 2]" 1
540 1 104 GLN HB3 1 105 TYR H . . 3.640 2.552 2.227 2.886 . 0 0 "[ . 1 . 2]" 1
541 1 104 GLN HB2 1 105 TYR H . . 3.960 3.695 3.441 3.900 . 0 0 "[ . 1 . 2]" 1
542 1 134 ASP H 1 135 LEU H . . 4.510 2.706 1.919 4.643 0.133 11 0 "[ . 1 . 2]" 1
543 1 28 GLU H 1 28 GLU QB . . 3.210 2.761 2.514 3.113 . 0 0 "[ . 1 . 2]" 1
544 1 63 PHE HA 1 64 LEU H . . 3.340 2.272 2.233 2.320 . 0 0 "[ . 1 . 2]" 1
545 1 32 GLN H 1 32 GLN HB2 . . 3.870 3.414 2.319 3.754 . 0 0 "[ . 1 . 2]" 1
546 1 78 GLN H 1 79 SER H . . 4.450 4.428 4.416 4.489 0.039 18 0 "[ . 1 . 2]" 1
547 1 28 GLU HA 1 29 ILE H . . 3.120 2.159 2.139 2.196 . 0 0 "[ . 1 . 2]" 1
548 1 77 PHE HB2 1 78 GLN H . . 4.340 4.149 4.060 4.237 . 0 0 "[ . 1 . 2]" 1
549 1 29 ILE H 1 29 ILE MD . . 3.740 2.499 2.167 2.671 . 0 0 "[ . 1 . 2]" 1
550 1 65 VAL HA 1 66 ASP H . . 3.260 2.192 2.165 2.211 . 0 0 "[ . 1 . 2]" 1
551 1 66 ASP H 1 66 ASP HB2 . . 3.890 3.583 2.901 3.828 . 0 0 "[ . 1 . 2]" 1
552 1 66 ASP H 1 66 ASP HB3 . . 3.890 3.202 2.635 3.879 . 0 0 "[ . 1 . 2]" 1
553 1 65 VAL HB 1 66 ASP H . . 4.630 3.149 3.079 3.256 . 0 0 "[ . 1 . 2]" 1
554 1 66 ASP H 1 129 VAL MG1 . . 3.520 3.610 3.520 3.666 0.146 3 0 "[ . 1 . 2]" 1
555 1 74 ARG HA 1 75 ILE H . . 3.200 2.208 2.147 2.264 . 0 0 "[ . 1 . 2]" 1
556 1 74 ARG QG 1 75 ILE H . . 4.780 3.925 2.957 4.654 . 0 0 "[ . 1 . 2]" 1
557 1 121 ILE H 1 122 LYS H . . 4.470 4.395 4.314 4.505 0.035 5 0 "[ . 1 . 2]" 1
558 1 121 ILE HA 1 122 LYS H . . 3.020 2.296 2.188 2.487 . 0 0 "[ . 1 . 2]" 1
559 1 121 ILE HB 1 122 LYS H . . 4.450 3.438 2.211 4.003 . 0 0 "[ . 1 . 2]" 1
560 1 27 LEU H 1 27 LEU HB2 . . 3.890 2.693 2.413 3.981 0.091 8 0 "[ . 1 . 2]" 1
561 1 144 ILE H 1 144 ILE HB . . 3.640 3.393 2.543 3.616 . 0 0 "[ . 1 . 2]" 1
562 1 27 LEU H 1 27 LEU HB3 . . 3.890 3.559 3.075 3.779 . 0 0 "[ . 1 . 2]" 1
563 1 144 ILE H 1 144 ILE HG12 . . 4.190 2.791 1.950 4.067 . 0 0 "[ . 1 . 2]" 1
564 1 144 ILE H 1 144 ILE HG13 . . 4.190 2.789 1.953 3.477 . 0 0 "[ . 1 . 2]" 1
565 1 31 PHE H 1 32 GLN H . . 4.630 4.351 4.253 4.404 . 0 0 "[ . 1 . 2]" 1
566 1 31 PHE H 1 31 PHE QD . . 4.350 4.317 4.215 4.380 0.030 6 0 "[ . 1 . 2]" 1
567 1 30 ALA HA 1 31 PHE H . . 3.440 2.242 2.229 2.252 . 0 0 "[ . 1 . 2]" 1
568 1 30 ALA MB 1 31 PHE H . . 3.170 2.800 2.720 2.871 . 0 0 "[ . 1 . 2]" 1
569 1 62 ILE HA 1 63 PHE H . . 3.480 2.146 2.139 2.167 . 0 0 "[ . 1 . 2]" 1
570 1 64 LEU QB 1 129 VAL H . . 4.330 4.352 4.143 4.509 0.179 15 0 "[ . 1 . 2]" 1
571 1 62 ILE HB 1 63 PHE H . . 3.990 3.629 3.306 3.784 . 0 0 "[ . 1 . 2]" 1
572 1 63 PHE H 1 126 VAL MG2 . . 4.010 3.506 3.351 3.912 . 0 0 "[ . 1 . 2]" 1
573 1 128 GLU HA 1 129 VAL H . . 3.210 2.191 2.177 2.198 . 0 0 "[ . 1 . 2]" 1
574 1 128 GLU QB 1 129 VAL H . . 3.520 3.009 2.944 3.116 . 0 0 "[ . 1 . 2]" 1
575 1 129 VAL H 1 129 VAL MG1 . . 3.800 3.642 3.607 3.753 . 0 0 "[ . 1 . 2]" 1
576 1 39 GLU H 1 42 VAL H . . 5.110 4.803 4.660 4.892 . 0 0 "[ . 1 . 2]" 1
577 1 107 GLU H 1 108 LEU H . . 3.060 2.535 2.440 2.605 . 0 0 "[ . 1 . 2]" 1
578 1 107 GLU H 1 107 GLU QB . . 3.420 2.175 2.055 2.263 . 0 0 "[ . 1 . 2]" 1
579 1 107 GLU H 1 108 LEU HB2 . . 4.440 4.383 4.242 4.456 0.016 16 0 "[ . 1 . 2]" 1
580 1 38 ASP H 1 39 GLU H . . 3.700 2.532 1.905 3.074 . 0 0 "[ . 1 . 2]" 1
581 1 37 LEU H 1 38 ASP H . . 3.320 2.440 1.865 3.376 0.056 6 0 "[ . 1 . 2]" 1
582 1 103 MET H 1 104 GLN H . . 4.700 4.635 4.605 4.650 . 0 0 "[ . 1 . 2]" 1
583 1 117 LYS H 1 118 GLN QG . . 4.830 4.589 3.852 4.844 0.014 20 0 "[ . 1 . 2]" 1
584 1 104 GLN H 1 104 GLN QG . . 3.180 2.203 1.953 2.532 . 0 0 "[ . 1 . 2]" 1
585 1 104 GLN H 1 104 GLN HB2 . . 2.860 2.531 2.341 2.718 . 0 0 "[ . 1 . 2]" 1
586 1 108 LEU H 1 109 MET H . . 3.690 2.673 2.557 2.742 . 0 0 "[ . 1 . 2]" 1
587 1 41 LEU H 1 43 GLN H . . 4.650 4.399 4.146 4.537 . 0 0 "[ . 1 . 2]" 1
588 1 41 LEU H 1 42 VAL H . . 3.280 2.612 2.546 2.670 . 0 0 "[ . 1 . 2]" 1
589 1 117 LYS H 1 117 LYS QB . . 2.730 2.207 2.047 2.521 . 0 0 "[ . 1 . 2]" 1
590 1 108 LEU H 1 108 LEU HB2 . . 3.410 2.099 2.071 2.130 . 0 0 "[ . 1 . 2]" 1
591 1 108 LEU H 1 108 LEU HB3 . . 3.400 3.040 2.977 3.091 . 0 0 "[ . 1 . 2]" 1
592 1 88 GLU H 1 89 GLU H . . 3.530 2.611 2.439 2.837 . 0 0 "[ . 1 . 2]" 1
593 1 98 ASP HB2 1 99 GLU H . . 4.080 3.619 2.828 3.924 . 0 0 "[ . 1 . 2]" 1
594 1 98 ASP HB3 1 99 GLU H . . 4.080 2.589 2.337 3.025 . 0 0 "[ . 1 . 2]" 1
595 1 89 GLU H 1 89 GLU HG2 . . 3.590 2.692 1.967 3.804 0.214 16 0 "[ . 1 . 2]" 1
596 1 89 GLU H 1 89 GLU HG3 . . 3.590 3.238 2.055 3.600 0.010 19 0 "[ . 1 . 2]" 1
597 1 89 GLU H 1 89 GLU QB . . 3.500 2.414 2.146 2.643 . 0 0 "[ . 1 . 2]" 1
598 1 67 LEU H 1 68 TYR H . . 4.460 4.369 4.277 4.437 . 0 0 "[ . 1 . 2]" 1
599 1 46 ALA H 1 48 VAL H . . 4.360 4.170 3.986 4.328 . 0 0 "[ . 1 . 2]" 1
600 1 111 LYS H 1 112 TYR H . . 3.210 2.591 2.480 2.657 . 0 0 "[ . 1 . 2]" 1
601 1 48 VAL H 1 50 ALA H . . 4.410 4.314 3.973 4.483 0.073 6 0 "[ . 1 . 2]" 1
602 1 138 ASP H 1 138 ASP QB . . 3.260 2.966 2.947 3.002 . 0 0 "[ . 1 . 2]" 1
603 1 48 VAL H 1 48 VAL HB . . 3.160 2.537 2.387 2.641 . 0 0 "[ . 1 . 2]" 1
604 1 37 LEU H 1 37 LEU HB3 . . 3.870 3.478 2.441 3.994 0.124 1 0 "[ . 1 . 2]" 1
605 1 111 LYS H 1 111 LYS QD . . 3.440 3.360 2.811 3.542 0.102 9 0 "[ . 1 . 2]" 1
606 1 48 VAL H 1 48 VAL MG2 . . 3.950 2.753 2.033 3.767 . 0 0 "[ . 1 . 2]" 1
607 1 140 ILE H 1 141 TRP H . . 3.480 2.424 2.389 2.474 . 0 0 "[ . 1 . 2]" 1
608 1 66 ASP HA 1 67 LEU H . . 2.800 2.163 2.139 2.179 . 0 0 "[ . 1 . 2]" 1
609 1 132 GLU HA 1 133 TYR H . . 2.840 2.737 2.706 2.832 . 0 0 "[ . 1 . 2]" 1
610 1 139 PRO HD3 1 140 ILE H . . 4.030 3.915 3.875 4.013 . 0 0 "[ . 1 . 2]" 1
611 1 133 TYR H 1 133 TYR HB2 . . 4.060 2.803 2.258 3.655 . 0 0 "[ . 1 . 2]" 1
612 1 138 ASP QB 1 140 ILE H . . 4.930 4.761 4.566 5.053 0.123 11 0 "[ . 1 . 2]" 1
613 1 133 TYR H 1 133 TYR HB3 . . 4.060 3.633 2.598 3.855 . 0 0 "[ . 1 . 2]" 1
614 1 139 PRO HB2 1 140 ILE H . . 4.450 2.741 2.428 2.897 . 0 0 "[ . 1 . 2]" 1
615 1 139 PRO HB3 1 140 ILE H . . 4.450 3.802 3.627 3.889 . 0 0 "[ . 1 . 2]" 1
616 1 140 ILE H 1 140 ILE HB . . 3.680 3.612 3.533 3.639 . 0 0 "[ . 1 . 2]" 1
617 1 140 ILE H 1 140 ILE QG . . 3.830 2.957 1.772 3.285 . 0 0 "[ . 1 . 2]" 1
618 1 140 ILE H 1 140 ILE MG . . 4.030 2.121 1.896 2.993 . 0 0 "[ . 1 . 2]" 1
619 1 140 ILE H 1 140 ILE MD . . 3.950 1.850 1.798 1.977 . 0 0 "[ . 1 . 2]" 1
620 1 132 GLU H 1 133 TYR H . . 4.430 4.119 2.634 4.598 0.168 18 0 "[ . 1 . 2]" 1
621 1 74 ARG H 1 75 ILE H . . 4.510 4.366 4.232 4.424 . 0 0 "[ . 1 . 2]" 1
622 1 97 PHE H 1 100 ASN H . . 4.840 4.801 4.698 4.841 0.001 16 0 "[ . 1 . 2]" 1
623 1 44 ALA H 1 45 LEU H . . 3.430 2.691 2.556 2.868 . 0 0 "[ . 1 . 2]" 1
624 1 97 PHE H 1 97 PHE HB2 . . 3.510 3.435 3.383 3.489 . 0 0 "[ . 1 . 2]" 1
625 1 93 VAL HA 1 96 LYS H . . 4.050 3.403 3.333 3.540 . 0 0 "[ . 1 . 2]" 1
626 1 73 PHE HB2 1 74 ARG H . . 4.250 4.203 4.053 4.267 0.017 1 0 "[ . 1 . 2]" 1
627 1 73 PHE HB3 1 74 ARG H . . 3.720 3.181 2.917 3.239 . 0 0 "[ . 1 . 2]" 1
628 1 96 LYS QG 1 97 PHE H . . 4.410 3.840 3.264 4.316 . 0 0 "[ . 1 . 2]" 1
629 1 45 LEU HB2 1 46 ALA H . . 4.260 4.048 3.952 4.131 . 0 0 "[ . 1 . 2]" 1
630 1 45 LEU HB3 1 46 ALA H . . 3.840 3.729 3.700 3.784 . 0 0 "[ . 1 . 2]" 1
631 1 44 ALA H 1 44 ALA MB . . 2.900 2.206 2.171 2.271 . 0 0 "[ . 1 . 2]" 1
632 1 50 ALA H 1 52 ASP H . . 4.250 4.093 3.967 4.294 0.044 12 0 "[ . 1 . 2]" 1
633 1 96 LYS H 1 97 PHE H . . 3.460 2.813 2.781 2.870 . 0 0 "[ . 1 . 2]" 1
634 1 52 ASP H 1 53 PHE H . . 3.150 2.417 2.340 2.632 . 0 0 "[ . 1 . 2]" 1
635 1 52 ASP H 1 53 PHE QD . . 5.210 4.458 3.422 5.001 . 0 0 "[ . 1 . 2]" 1
636 1 73 PHE HA 1 74 ARG H . . 3.100 2.171 2.161 2.234 . 0 0 "[ . 1 . 2]" 1
637 1 97 PHE H 1 97 PHE HB3 . . 3.410 2.132 2.095 2.182 . 0 0 "[ . 1 . 2]" 1
638 1 114 ASP H 1 115 LEU H . . 3.040 2.516 2.170 2.754 . 0 0 "[ . 1 . 2]" 1
639 1 70 GLN H 1 71 LYS H . . 4.600 4.412 4.331 4.512 . 0 0 "[ . 1 . 2]" 1
640 1 114 ASP H 1 114 ASP HA . . 2.890 2.852 2.760 2.934 0.044 18 0 "[ . 1 . 2]" 1
641 1 114 ASP H 1 114 ASP HB2 . . 2.950 2.266 2.067 2.600 . 0 0 "[ . 1 . 2]" 1
642 1 34 ILE H 1 34 ILE MD . . 3.210 2.384 1.915 3.443 0.233 7 0 "[ . 1 . 2]" 1
643 1 70 GLN HA 1 71 LYS H . . 2.960 2.194 2.163 2.340 . 0 0 "[ . 1 . 2]" 1
644 1 131 GLU HA 1 132 GLU H . . 3.070 2.206 2.139 2.687 . 0 0 "[ . 1 . 2]" 1
645 1 70 GLN QB 1 71 LYS H . . 3.340 2.982 2.537 3.215 . 0 0 "[ . 1 . 2]" 1
646 1 132 GLU H 1 134 ASP H . . 5.260 5.085 4.113 5.443 0.183 18 0 "[ . 1 . 2]" 1
647 1 103 MET H 1 103 MET HB2 . . 3.020 2.346 2.265 2.504 . 0 0 "[ . 1 . 2]" 1
648 1 103 MET H 1 108 LEU QD . . 4.260 3.572 3.336 3.771 . 0 0 "[ . 1 . 2]" 1
649 1 77 PHE H 1 78 GLN H . . 4.330 4.263 4.213 4.350 0.020 9 0 "[ . 1 . 2]" 1
650 1 68 TYR H 1 70 GLN H . . 4.330 4.119 3.966 4.296 . 0 0 "[ . 1 . 2]" 1
651 1 68 TYR H 1 68 TYR QD . . 3.730 3.315 2.086 3.592 . 0 0 "[ . 1 . 2]" 1
652 1 68 TYR H 1 68 TYR QE . . 4.950 4.673 4.284 4.774 . 0 0 "[ . 1 . 2]" 1
653 1 76 LEU HA 1 77 PHE H . . 3.300 2.143 2.139 2.162 . 0 0 "[ . 1 . 2]" 1
654 1 68 TYR H 1 68 TYR HA . . 2.750 2.274 2.273 2.276 . 0 0 "[ . 1 . 2]" 1
655 1 102 ARG HA 1 103 MET H . . 3.480 3.339 3.331 3.350 . 0 0 "[ . 1 . 2]" 1
656 1 67 LEU HA 1 68 TYR H . . 2.750 2.305 2.207 2.356 . 0 0 "[ . 1 . 2]" 1
657 1 99 GLU HA 1 103 MET H . . 4.340 4.257 4.172 4.348 0.008 15 0 "[ . 1 . 2]" 1
658 1 77 PHE H 1 77 PHE HB3 . . 3.830 2.522 2.463 2.573 . 0 0 "[ . 1 . 2]" 1
659 1 103 MET H 1 103 MET HG2 . . 3.870 2.588 2.231 2.855 . 0 0 "[ . 1 . 2]" 1
660 1 102 ARG HG3 1 103 MET H . . 4.020 2.754 2.702 2.778 . 0 0 "[ . 1 . 2]" 1
661 1 30 ALA MB 1 77 PHE H . . 4.290 3.752 2.996 4.160 . 0 0 "[ . 1 . 2]" 1
662 1 123 ASP H 1 124 ARG H . . 4.280 3.884 3.566 4.066 . 0 0 "[ . 1 . 2]" 1
663 1 49 THR H 1 50 ALA H . . 3.250 2.737 2.602 2.838 . 0 0 "[ . 1 . 2]" 1
664 1 122 LYS HA 1 123 ASP H . . 2.850 2.238 2.203 2.418 . 0 0 "[ . 1 . 2]" 1
665 1 122 LYS HB2 1 123 ASP H . . 3.940 3.876 3.395 3.967 0.027 18 0 "[ . 1 . 2]" 1
666 1 50 ALA H 1 50 ALA MB . . 2.650 2.180 2.022 2.247 . 0 0 "[ . 1 . 2]" 1
667 1 57 ASP H 1 58 ILE H . . 3.330 2.550 2.023 3.159 . 0 0 "[ . 1 . 2]" 1
668 1 48 VAL HA 1 50 ALA H . . 4.980 4.763 4.522 4.963 . 0 0 "[ . 1 . 2]" 1
669 1 114 ASP HB2 1 115 LEU H . . 3.670 3.537 3.297 3.767 0.097 9 0 "[ . 1 . 2]" 1
670 1 114 ASP HB3 1 115 LEU H . . 3.660 2.922 2.302 3.644 . 0 0 "[ . 1 . 2]" 1
671 1 99 GLU QB 1 100 ASN H . . 3.250 2.522 2.378 3.278 0.028 19 0 "[ . 1 . 2]" 1
672 1 115 LEU H 1 115 LEU HB3 . . 3.420 3.279 3.034 3.608 0.188 18 0 "[ . 1 . 2]" 1
673 1 112 TYR H 1 115 LEU H . . 3.950 3.997 3.896 4.110 0.160 19 0 "[ . 1 . 2]" 1
674 1 71 LYS H 1 72 TYR H . . 4.510 4.427 4.355 4.493 . 0 0 "[ . 1 . 2]" 1
675 1 142 GLN H 1 143 TYR H . . 2.980 2.630 2.315 2.839 . 0 0 "[ . 1 . 2]" 1
676 1 141 TRP H 1 142 GLN H . . 3.280 2.525 2.297 2.737 . 0 0 "[ . 1 . 2]" 1
677 1 139 PRO HD2 1 141 TRP H . . 3.990 3.636 3.406 3.814 . 0 0 "[ . 1 . 2]" 1
678 1 142 GLN HB2 1 143 TYR H . . 3.780 3.115 2.137 3.958 0.178 18 0 "[ . 1 . 2]" 1
679 1 142 GLN HB3 1 143 TYR H . . 3.780 2.342 1.951 3.895 0.115 18 0 "[ . 1 . 2]" 1
680 1 101 SER H 1 102 ARG H . . 3.500 2.503 2.460 2.531 . 0 0 "[ . 1 . 2]" 1
681 1 71 LYS HA 1 72 TYR H . . 3.090 2.174 2.157 2.235 . 0 0 "[ . 1 . 2]" 1
682 1 68 TYR HA 1 70 GLN H . . 4.370 4.231 4.164 4.427 0.057 6 0 "[ . 1 . 2]" 1
683 1 102 ARG H 1 102 ARG HD2 . . 4.860 4.752 4.656 4.813 . 0 0 "[ . 1 . 2]" 1
684 1 102 ARG H 1 102 ARG HB3 . . 3.190 2.286 2.238 2.383 . 0 0 "[ . 1 . 2]" 1
685 1 102 ARG H 1 102 ARG HB2 . . 3.650 3.551 3.527 3.596 . 0 0 "[ . 1 . 2]" 1
686 1 88 GLU H 1 90 ARG H . . 4.480 4.149 3.844 4.358 . 0 0 "[ . 1 . 2]" 1
687 1 87 PRO QD 1 88 GLU H . . 4.400 2.656 2.602 2.778 . 0 0 "[ . 1 . 2]" 1
688 1 92 LYS QB 1 93 VAL H . . 3.170 2.303 2.262 2.386 . 0 0 "[ . 1 . 2]" 1
689 1 93 VAL H 1 93 VAL HB . . 3.720 3.617 3.610 3.621 . 0 0 "[ . 1 . 2]" 1
690 1 93 VAL H 1 93 VAL MG2 . . 3.620 2.011 1.931 2.136 . 0 0 "[ . 1 . 2]" 1
691 1 93 VAL H 1 93 VAL MG1 . . 3.040 2.307 2.020 2.427 . 0 0 "[ . 1 . 2]" 1
692 1 91 LYS H 1 94 ARG H . . 4.930 4.679 4.631 4.730 . 0 0 "[ . 1 . 2]" 1
693 1 94 ARG H 1 96 LYS QB . . 4.780 4.573 4.498 4.694 . 0 0 "[ . 1 . 2]" 1
694 1 94 ARG H 1 94 ARG QG . . 3.850 3.208 2.499 3.856 0.006 9 0 "[ . 1 . 2]" 1
695 1 34 ILE QG 1 35 ASN H . . 4.180 3.765 1.947 4.236 0.056 11 0 "[ . 1 . 2]" 1
696 1 112 TYR H 1 113 HIS H . . 3.510 2.168 2.005 2.267 . 0 0 "[ . 1 . 2]" 1
697 1 136 TRP H 1 136 TRP HD1 . . 4.010 3.525 3.180 3.828 . 0 0 "[ . 1 . 2]" 1
698 1 35 ASN H 1 35 ASN HA . . 2.930 2.704 2.274 2.916 . 0 0 "[ . 1 . 2]" 1
699 1 109 MET HA 1 112 TYR H . . 3.620 3.578 3.512 3.714 0.094 6 0 "[ . 1 . 2]" 1
700 1 111 LYS HA 1 112 TYR H . . 3.540 3.345 3.312 3.368 . 0 0 "[ . 1 . 2]" 1
701 1 112 TYR H 1 112 TYR QB . . 3.110 2.313 2.243 2.386 . 0 0 "[ . 1 . 2]" 1
702 1 111 LYS QG 1 112 TYR H . . 4.740 4.697 4.597 4.914 0.174 20 0 "[ . 1 . 2]" 1
703 1 135 LEU HG 1 136 TRP H . . 4.920 4.103 3.259 4.751 . 0 0 "[ . 1 . 2]" 1
704 1 136 TRP H 1 140 ILE MD . . 4.400 3.430 1.887 4.188 . 0 0 "[ . 1 . 2]" 1
705 1 97 PHE HB2 1 98 ASP H . . 4.410 4.170 4.151 4.200 . 0 0 "[ . 1 . 2]" 1
706 1 40 SER HA 1 43 GLN H . . 4.200 3.764 3.644 3.996 . 0 0 "[ . 1 . 2]" 1
707 1 57 ASP HA 1 58 ILE H . . 3.220 3.020 2.456 3.324 0.104 1 0 "[ . 1 . 2]" 1
708 1 57 ASP HB2 1 58 ILE H . . 4.640 4.073 3.472 4.572 . 0 0 "[ . 1 . 2]" 1
709 1 59 LYS H 1 60 TYR H . . 4.350 3.748 3.441 4.200 . 0 0 "[ . 1 . 2]" 1
710 1 89 GLU H 1 91 LYS H . . 4.810 4.461 4.124 4.675 . 0 0 "[ . 1 . 2]" 1
711 1 91 LYS H 1 92 LYS H . . 2.990 2.606 2.526 2.678 . 0 0 "[ . 1 . 2]" 1
712 1 88 GLU HA 1 91 LYS H . . 3.970 3.818 3.609 3.979 0.009 18 0 "[ . 1 . 2]" 1
713 1 57 ASP HB3 1 58 ILE H . . 4.640 4.320 3.408 4.627 . 0 0 "[ . 1 . 2]" 1
714 1 91 LYS H 1 91 LYS HG2 . . 3.350 1.965 1.904 2.041 . 0 0 "[ . 1 . 2]" 1
715 1 133 TYR HA 1 134 ASP H . . 3.220 2.346 2.194 2.931 . 0 0 "[ . 1 . 2]" 1
716 1 134 ASP H 1 134 ASP HB3 . . 3.640 3.109 2.505 3.632 . 0 0 "[ . 1 . 2]" 1
717 1 45 LEU H 1 45 LEU MD1 . . 4.100 4.057 3.972 4.120 0.020 19 0 "[ . 1 . 2]" 1
718 1 110 THR H 1 111 LYS H . . 3.170 2.619 2.463 2.788 . 0 0 "[ . 1 . 2]" 1
719 1 89 GLU HA 1 92 LYS H . . 4.440 3.314 3.152 3.422 . 0 0 "[ . 1 . 2]" 1
720 1 91 LYS QB 1 92 LYS H . . 3.570 3.429 3.378 3.514 . 0 0 "[ . 1 . 2]" 1
721 1 95 GLU H 1 96 LYS H . . 3.300 2.534 2.507 2.587 . 0 0 "[ . 1 . 2]" 1
722 1 111 LYS H 1 113 HIS H . . 4.590 4.318 4.007 4.508 . 0 0 "[ . 1 . 2]" 1
723 1 113 HIS H 1 113 HIS HB3 . . 3.280 2.854 2.382 3.399 0.119 15 0 "[ . 1 . 2]" 1
724 1 110 THR H 1 114 ASP HB2 . . 5.030 5.237 4.867 5.572 0.542 18 3 "[ - . 1 .* + 2]" 1
725 1 95 GLU H 1 95 GLU HG2 . . 3.750 2.308 1.937 3.295 . 0 0 "[ . 1 . 2]" 1
726 1 109 MET HB2 1 110 THR H . . 4.340 3.182 2.762 3.340 . 0 0 "[ . 1 . 2]" 1
727 1 131 GLU H 1 132 GLU H . . 4.490 4.490 4.454 4.607 0.117 11 0 "[ . 1 . 2]" 1
728 1 94 ARG H 1 95 GLU H . . 3.270 2.823 2.738 2.875 . 0 0 "[ . 1 . 2]" 1
729 1 112 TYR QB 1 113 HIS H . . 3.340 2.624 2.513 2.855 . 0 0 "[ . 1 . 2]" 1
730 1 95 GLU H 1 95 GLU HG3 . . 3.750 3.033 1.903 3.562 . 0 0 "[ . 1 . 2]" 1
731 1 131 GLU H 1 131 GLU HB2 . . 3.600 2.655 2.208 3.564 . 0 0 "[ . 1 . 2]" 1
732 1 131 GLU H 1 131 GLU HB3 . . 3.600 3.553 2.929 3.618 0.018 17 0 "[ . 1 . 2]" 1
733 1 141 TRP QB 1 142 GLN H . . 4.010 2.816 2.525 3.029 . 0 0 "[ . 1 . 2]" 1
734 1 42 VAL H 1 45 LEU H . . 4.760 4.628 4.561 4.732 . 0 0 "[ . 1 . 2]" 1
735 1 72 TYR H 1 73 PHE H . . 4.430 4.408 4.278 4.465 0.035 5 0 "[ . 1 . 2]" 1
736 1 42 VAL H 1 43 GLN H . . 3.500 2.765 2.703 2.836 . 0 0 "[ . 1 . 2]" 1
737 1 40 SER H 1 42 VAL H . . 4.280 4.107 3.950 4.229 . 0 0 "[ . 1 . 2]" 1
738 1 61 ASN H 1 77 PHE HB2 . . 4.320 4.299 4.083 4.504 0.184 12 0 "[ . 1 . 2]" 1
739 1 61 ASN H 1 62 ILE MG . . 4.770 4.879 4.626 4.954 0.184 15 0 "[ . 1 . 2]" 1
740 1 89 GLU H 1 90 ARG H . . 3.520 2.523 2.430 2.614 . 0 0 "[ . 1 . 2]" 1
741 1 90 ARG H 1 90 ARG HD2 . . 5.050 4.540 2.661 5.073 0.023 16 0 "[ . 1 . 2]" 1
742 1 90 ARG H 1 90 ARG QB . . 3.170 2.248 2.045 2.672 . 0 0 "[ . 1 . 2]" 1
743 1 90 ARG H 1 91 LYS HG2 . . 4.230 4.011 3.934 4.110 . 0 0 "[ . 1 . 2]" 1
744 1 90 ARG H 1 93 VAL MG1 . . 5.170 4.923 4.644 5.159 . 0 0 "[ . 1 . 2]" 1
745 1 80 LYS QB 1 81 LYS H . . 3.320 2.702 2.291 3.263 . 0 0 "[ . 1 . 2]" 1
746 1 100 ASN H 1 101 SER H . . 3.500 2.775 2.693 2.807 . 0 0 "[ . 1 . 2]" 1
747 1 100 ASN HB2 1 101 SER H . . 3.980 3.618 2.778 3.975 . 0 0 "[ . 1 . 2]" 1
748 1 81 LYS QB 1 83 SER H . . 5.000 4.433 2.782 5.252 0.252 19 0 "[ . 1 . 2]" 1
749 1 53 PHE H 1 53 PHE QE . . 5.300 5.137 4.679 5.332 0.032 4 0 "[ . 1 . 2]" 1
750 1 53 PHE QB 1 55 ASP H . . 4.670 3.957 3.603 4.783 0.113 12 0 "[ . 1 . 2]" 1
751 1 39 GLU H 1 40 SER H . . 3.220 2.837 2.639 2.910 . 0 0 "[ . 1 . 2]" 1
752 1 109 MET H 1 110 THR H . . 3.160 2.380 2.319 2.565 . 0 0 "[ . 1 . 2]" 1
753 1 55 ASP H 1 57 ASP H . . 4.180 3.964 3.787 4.187 0.007 2 0 "[ . 1 . 2]" 1
754 1 55 ASP H 1 56 LEU H . . 3.130 2.457 2.090 2.675 . 0 0 "[ . 1 . 2]" 1
755 1 137 GLU H 1 138 ASP H . . 3.450 3.181 2.752 3.429 . 0 0 "[ . 1 . 2]" 1
756 1 40 SER H 1 41 LEU H . . 3.180 2.736 2.678 2.820 . 0 0 "[ . 1 . 2]" 1
757 1 109 MET H 1 112 TYR QB . . 4.840 4.731 4.514 4.913 0.073 16 0 "[ . 1 . 2]" 1
758 1 108 LEU HB2 1 109 MET H . . 3.390 3.391 3.227 3.443 0.053 6 0 "[ . 1 . 2]" 1
759 1 137 GLU H 1 140 ILE QG . . 4.590 4.187 3.497 4.583 . 0 0 "[ . 1 . 2]" 1
760 1 117 LYS H 1 118 GLN H . . 3.190 2.773 2.482 3.063 . 0 0 "[ . 1 . 2]" 1
761 1 118 GLN H 1 118 GLN QG . . 3.270 2.571 2.011 2.940 . 0 0 "[ . 1 . 2]" 1
762 1 120 LYS HA 1 121 ILE H . . 3.220 2.466 2.140 3.557 0.337 18 0 "[ . 1 . 2]" 1
763 1 121 ILE H 1 121 ILE HB . . 3.970 3.490 3.061 3.943 . 0 0 "[ . 1 . 2]" 1
764 1 121 ILE H 1 121 ILE MG . . 3.130 2.369 1.903 3.084 . 0 0 "[ . 1 . 2]" 1
765 1 48 VAL H 1 49 THR H . . 3.390 2.716 2.612 2.859 . 0 0 "[ . 1 . 2]" 1
766 1 46 ALA H 1 49 THR H . . 4.980 4.732 4.624 4.894 . 0 0 "[ . 1 . 2]" 1
767 1 48 VAL HB 1 49 THR H . . 3.910 2.973 2.341 3.945 0.035 15 0 "[ . 1 . 2]" 1
768 1 33 THR H 1 73 PHE H . . 4.220 3.786 3.499 4.150 . 0 0 "[ . 1 . 2]" 1
769 1 33 THR H 1 34 ILE H . . 4.590 4.248 4.027 4.466 . 0 0 "[ . 1 . 2]" 1
770 1 33 THR H 1 34 ILE QG . . 4.440 4.038 3.197 4.681 0.241 7 0 "[ . 1 . 2]" 1
771 1 33 THR H 1 33 THR MG . . 3.260 2.321 1.957 2.886 . 0 0 "[ . 1 . 2]" 1
772 1 50 ALA MB 1 51 SER H . . 3.060 2.678 2.465 2.826 . 0 0 "[ . 1 . 2]" 1
773 1 106 SER H 1 108 LEU H . . 4.110 3.971 3.893 4.111 0.001 20 0 "[ . 1 . 2]" 1
774 1 106 SER H 1 108 LEU HB2 . . 4.900 4.910 4.709 4.978 0.078 12 0 "[ . 1 . 2]" 1
775 1 106 SER H 1 109 MET H . . 4.800 4.705 4.617 4.786 . 0 0 "[ . 1 . 2]" 1
776 1 106 SER H 1 107 GLU H . . 3.020 2.855 2.782 2.906 . 0 0 "[ . 1 . 2]" 1
777 1 106 SER H 1 106 SER HA . . 2.850 2.781 2.764 2.807 . 0 0 "[ . 1 . 2]" 1
778 1 105 TYR HB2 1 106 SER H . . 3.610 3.487 3.236 3.826 0.216 6 0 "[ . 1 . 2]" 1
779 1 105 TYR HB3 1 106 SER H . . 3.250 2.897 2.582 3.114 . 0 0 "[ . 1 . 2]" 1
780 1 97 PHE HA 1 98 ASP H . . 3.540 3.507 3.503 3.514 . 0 0 "[ . 1 . 2]" 1
781 1 103 MET HA 1 104 GLN H . . 2.660 2.276 2.208 2.348 . 0 0 "[ . 1 . 2]" 1
782 1 105 TYR HA 1 108 LEU H . . 3.700 3.339 3.216 3.466 . 0 0 "[ . 1 . 2]" 1
783 1 75 ILE HB 1 76 LEU H . . 4.210 3.160 3.105 3.233 . 0 0 "[ . 1 . 2]" 1
784 1 125 PRO HB3 1 126 VAL H . . 4.120 3.812 3.651 3.939 . 0 0 "[ . 1 . 2]" 1
785 1 61 ASN HA 1 62 ILE H . . 3.510 2.353 2.160 2.555 . 0 0 "[ . 1 . 2]" 1
786 1 100 ASN HB3 1 101 SER H . . 3.980 2.872 2.623 3.601 . 0 0 "[ . 1 . 2]" 1
787 1 58 ILE HB 1 59 LYS H . . 4.340 4.141 3.961 4.252 . 0 0 "[ . 1 . 2]" 1
788 1 109 MET HA 1 113 HIS H . . 3.840 3.797 3.667 3.888 0.048 18 0 "[ . 1 . 2]" 1
789 1 95 GLU HB2 1 96 LYS H . . 3.910 3.801 3.625 3.916 0.006 17 0 "[ . 1 . 2]" 1
790 1 109 MET HB3 1 110 THR H . . 4.000 3.384 3.230 3.570 . 0 0 "[ . 1 . 2]" 1
791 1 122 LYS HB3 1 123 ASP H . . 3.940 2.920 2.435 3.050 . 0 0 "[ . 1 . 2]" 1
792 1 143 TYR HA 1 144 ILE H . . 2.650 2.534 2.161 3.549 0.899 15 1 "[ . 1 + 2]" 1
793 1 43 GLN H 1 44 ALA H . . 3.390 2.593 2.527 2.677 . 0 0 "[ . 1 . 2]" 1
794 1 43 GLN H 1 45 LEU H . . 4.680 4.402 4.312 4.474 . 0 0 "[ . 1 . 2]" 1
795 1 31 PHE HA 1 32 GLN H . . 2.830 2.186 2.139 2.197 . 0 0 "[ . 1 . 2]" 1
796 1 65 VAL H 1 72 TYR H . . 3.810 3.522 3.225 3.838 0.028 16 0 "[ . 1 . 2]" 1
797 1 122 LYS H 1 123 ASP H . . 4.580 4.432 4.407 4.479 . 0 0 "[ . 1 . 2]" 1
798 1 62 ILE H 1 63 PHE H . . 4.340 4.298 4.216 4.352 0.012 12 0 "[ . 1 . 2]" 1
799 1 61 ASN H 1 76 LEU H . . 3.800 3.112 2.977 3.279 . 0 0 "[ . 1 . 2]" 1
800 1 28 GLU H 1 29 ILE H . . 4.500 4.432 4.333 4.493 . 0 0 "[ . 1 . 2]" 1
801 1 27 LEU H 1 28 GLU H . . 4.570 4.428 4.291 4.509 . 0 0 "[ . 1 . 2]" 1
802 1 31 PHE QD 1 32 GLN H . . 3.550 2.932 2.523 3.443 . 0 0 "[ . 1 . 2]" 1
803 1 27 LEU H 1 79 SER H . . 4.670 4.358 3.925 4.678 0.008 19 0 "[ . 1 . 2]" 1
804 1 136 TRP H 1 137 GLU H . . 3.190 2.626 2.230 2.736 . 0 0 "[ . 1 . 2]" 1
805 1 79 SER H 1 82 LEU H . . 4.570 4.351 3.773 4.594 0.024 4 0 "[ . 1 . 2]" 1
806 1 122 LYS H 1 124 ARG H . . 5.500 5.515 5.302 5.602 0.102 9 0 "[ . 1 . 2]" 1
807 1 76 LEU H 1 77 PHE H . . 4.570 4.311 4.257 4.388 . 0 0 "[ . 1 . 2]" 1
808 1 55 ASP HB2 1 56 LEU H . . 4.310 3.503 3.123 4.171 . 0 0 "[ . 1 . 2]" 1
809 1 55 ASP HB3 1 56 LEU H . . 4.310 3.930 3.166 4.311 0.001 15 0 "[ . 1 . 2]" 1
810 1 71 LYS HB2 1 72 TYR H . . 4.330 3.521 2.934 4.258 . 0 0 "[ . 1 . 2]" 1
811 1 71 LYS HB3 1 72 TYR H . . 4.330 3.724 2.937 4.122 . 0 0 "[ . 1 . 2]" 1
812 1 59 LYS H 1 78 GLN H . . 3.980 3.649 3.510 3.840 . 0 0 "[ . 1 . 2]" 1
813 1 67 LEU H 1 72 TYR H . . 5.130 4.611 4.369 4.961 . 0 0 "[ . 1 . 2]" 1
814 1 63 PHE H 1 74 ARG H . . 4.140 3.672 3.415 3.943 . 0 0 "[ . 1 . 2]" 1
815 1 64 LEU H 1 127 LYS H . . 3.950 3.659 3.555 3.758 . 0 0 "[ . 1 . 2]" 1
816 1 32 GLN HA 1 33 THR H . . 2.780 2.301 2.139 2.376 . 0 0 "[ . 1 . 2]" 1
817 1 64 LEU H 1 129 VAL H . . 3.950 3.980 3.828 4.040 0.090 19 0 "[ . 1 . 2]" 1
818 1 27 LEU H 1 27 LEU HG . . 5.140 4.723 4.196 5.175 0.035 4 0 "[ . 1 . 2]" 1
819 1 27 LEU H 1 27 LEU MD2 . . 4.610 3.101 2.674 4.199 . 0 0 "[ . 1 . 2]" 1
820 1 29 ILE H 1 29 ILE HB . . 3.910 3.744 3.668 3.787 . 0 0 "[ . 1 . 2]" 1
821 1 29 ILE H 1 29 ILE MG . . 4.030 3.402 3.192 3.526 . 0 0 "[ . 1 . 2]" 1
822 1 30 ALA H 1 30 ALA MB . . 2.840 2.464 2.338 2.537 . 0 0 "[ . 1 . 2]" 1
823 1 34 ILE H 1 34 ILE HB . . 3.880 3.416 2.859 3.851 . 0 0 "[ . 1 . 2]" 1
824 1 34 ILE H 1 34 ILE QG . . 4.170 2.648 1.890 3.234 . 0 0 "[ . 1 . 2]" 1
825 1 37 LEU H 1 37 LEU HB2 . . 3.870 2.794 2.207 3.848 . 0 0 "[ . 1 . 2]" 1
826 1 37 LEU H 1 37 LEU MD1 . . 4.170 3.453 2.005 4.218 0.048 3 0 "[ . 1 . 2]" 1
827 1 37 LEU H 1 37 LEU MD2 . . 4.170 3.303 1.883 4.198 0.028 8 0 "[ . 1 . 2]" 1
828 1 38 ASP H 1 38 ASP HB2 . . 3.610 2.569 2.178 3.730 0.120 18 0 "[ . 1 . 2]" 1
829 1 39 GLU H 1 39 GLU QG . . 3.830 2.403 1.915 3.961 0.131 2 0 "[ . 1 . 2]" 1
830 1 40 SER H 1 40 SER QB . . 3.390 2.355 2.162 2.658 . 0 0 "[ . 1 . 2]" 1
831 1 41 LEU H 1 41 LEU MD1 . . 4.390 4.185 4.009 4.302 . 0 0 "[ . 1 . 2]" 1
832 1 42 VAL H 1 42 VAL HB . . 3.100 2.609 2.502 2.728 . 0 0 "[ . 1 . 2]" 1
833 1 42 VAL H 1 42 VAL MG1 . . 4.110 3.761 3.749 3.769 . 0 0 "[ . 1 . 2]" 1
834 1 42 VAL H 1 42 VAL MG2 . . 4.110 2.132 1.901 2.309 . 0 0 "[ . 1 . 2]" 1
835 1 43 GLN H 1 43 GLN HG3 . . 3.790 3.186 2.172 3.755 . 0 0 "[ . 1 . 2]" 1
836 1 45 LEU H 1 45 LEU HB3 . . 3.130 2.247 2.201 2.320 . 0 0 "[ . 1 . 2]" 1
837 1 46 ALA H 1 46 ALA MB . . 3.090 2.193 2.109 2.243 . 0 0 "[ . 1 . 2]" 1
838 1 48 VAL H 1 48 VAL MG1 . . 3.950 3.133 1.879 3.765 . 0 0 "[ . 1 . 2]" 1
839 1 49 THR H 1 49 THR HB . . 3.660 2.985 2.392 3.616 . 0 0 "[ . 1 . 2]" 1
840 1 54 PRO HD2 1 55 ASP H . . 4.140 2.703 2.646 2.742 . 0 0 "[ . 1 . 2]" 1
841 1 54 PRO HD3 1 55 ASP H . . 4.140 3.869 3.835 3.893 . 0 0 "[ . 1 . 2]" 1
842 1 54 PRO HG2 1 55 ASP H . . 3.110 2.625 2.149 2.830 . 0 0 "[ . 1 . 2]" 1
843 1 54 PRO HG3 1 55 ASP H . . 4.170 4.071 3.718 4.225 0.055 9 0 "[ . 1 . 2]" 1
844 1 55 ASP H 1 55 ASP HB2 . . 3.770 2.610 2.149 3.677 . 0 0 "[ . 1 . 2]" 1
845 1 55 ASP H 1 55 ASP HB3 . . 3.770 3.342 2.695 3.716 . 0 0 "[ . 1 . 2]" 1
846 1 56 LEU H 1 56 LEU HB2 . . 4.060 3.339 2.068 3.766 . 0 0 "[ . 1 . 2]" 1
847 1 56 LEU H 1 56 LEU HB3 . . 4.060 3.912 3.349 4.059 . 0 0 "[ . 1 . 2]" 1
848 1 56 LEU H 1 56 LEU HG . . 3.880 3.271 2.667 3.954 0.074 10 0 "[ . 1 . 2]" 1
849 1 56 LEU H 1 56 LEU QD . . 3.750 2.939 2.336 3.739 . 0 0 "[ . 1 . 2]" 1
850 1 58 ILE H 1 58 ILE HB . . 3.140 2.818 2.640 3.147 0.007 20 0 "[ . 1 . 2]" 1
851 1 58 ILE H 1 58 ILE MD . . 4.200 4.251 3.872 4.406 0.206 4 0 "[ . 1 . 2]" 1
852 1 58 ILE H 1 58 ILE MG . . 3.660 1.977 1.878 2.077 . 0 0 "[ . 1 . 2]" 1
853 1 62 ILE H 1 62 ILE HB . . 3.470 3.347 3.230 3.569 0.099 12 0 "[ . 1 . 2]" 1
854 1 62 ILE H 1 62 ILE MG . . 4.040 3.740 3.509 3.790 . 0 0 "[ . 1 . 2]" 1
855 1 64 LEU H 1 64 LEU HG . . 4.850 4.501 4.039 4.818 . 0 0 "[ . 1 . 2]" 1
856 1 64 LEU H 1 64 LEU QB . . 3.480 2.336 2.226 2.440 . 0 0 "[ . 1 . 2]" 1
857 1 64 LEU H 1 126 VAL MG1 . . 4.540 3.568 3.307 3.961 . 0 0 "[ . 1 . 2]" 1
858 1 64 LEU H 1 126 VAL MG2 . . 3.430 1.969 1.897 2.217 . 0 0 "[ . 1 . 2]" 1
859 1 65 VAL H 1 65 VAL HB . . 3.680 3.720 3.689 3.754 0.074 2 0 "[ . 1 . 2]" 1
860 1 65 VAL H 1 65 VAL MG1 . . 4.240 2.230 2.163 2.317 . 0 0 "[ . 1 . 2]" 1
861 1 65 VAL H 1 65 VAL MG2 . . 4.240 2.558 2.512 2.591 . 0 0 "[ . 1 . 2]" 1
862 1 67 LEU H 1 67 LEU HB2 . . 3.530 2.896 2.549 3.772 0.242 19 0 "[ . 1 . 2]" 1
863 1 70 GLN H 1 70 GLN QB . . 3.100 2.664 2.398 2.956 . 0 0 "[ . 1 . 2]" 1
864 1 70 GLN H 1 70 GLN QG . . 3.340 2.733 1.877 3.083 . 0 0 "[ . 1 . 2]" 1
865 1 71 LYS H 1 71 LYS HB2 . . 4.020 3.279 2.413 3.812 . 0 0 "[ . 1 . 2]" 1
866 1 71 LYS H 1 71 LYS HB3 . . 4.020 3.375 2.958 3.720 . 0 0 "[ . 1 . 2]" 1
867 1 71 LYS H 1 71 LYS QD . . 3.210 2.620 2.031 3.328 0.118 7 0 "[ . 1 . 2]" 1
868 1 72 TYR HB2 1 73 PHE H . . 3.960 3.708 3.254 4.067 0.107 16 0 "[ . 1 . 2]" 1
869 1 72 TYR HB3 1 73 PHE H . . 3.960 2.709 2.302 2.989 . 0 0 "[ . 1 . 2]" 1
870 1 73 PHE H 1 73 PHE HB2 . . 3.700 2.435 2.382 2.511 . 0 0 "[ . 1 . 2]" 1
871 1 73 PHE H 1 73 PHE HB3 . . 3.880 3.652 3.622 3.684 . 0 0 "[ . 1 . 2]" 1
872 1 73 PHE H 1 73 PHE QD . . 3.500 2.353 2.148 2.644 . 0 0 "[ . 1 . 2]" 1
873 1 74 ARG H 1 74 ARG HB3 . . 4.110 3.685 2.999 3.868 . 0 0 "[ . 1 . 2]" 1
874 1 76 LEU H 1 76 LEU QB . . 3.380 2.464 2.427 2.488 . 0 0 "[ . 1 . 2]" 1
875 1 77 PHE H 1 77 PHE HB2 . . 3.820 3.312 3.177 3.475 . 0 0 "[ . 1 . 2]" 1
876 1 81 LYS H 1 81 LYS QB . . 3.610 2.350 2.085 2.658 . 0 0 "[ . 1 . 2]" 1
877 1 81 LYS H 1 81 LYS QE . . 4.130 3.733 2.327 4.178 0.048 6 0 "[ . 1 . 2]" 1
878 1 80 LYS QG 1 81 LYS H . . 4.640 4.155 3.175 4.582 . 0 0 "[ . 1 . 2]" 1
879 1 33 THR H 1 33 THR HB . . 3.910 3.652 3.337 3.924 0.014 10 0 "[ . 1 . 2]" 1
880 1 122 LYS H 1 122 LYS HB2 . . 3.960 2.725 2.517 2.844 . 0 0 "[ . 1 . 2]" 1
881 1 77 PHE HA 1 78 GLN H . . 3.380 2.141 2.139 2.147 . 0 0 "[ . 1 . 2]" 1
882 1 31 PHE H 1 140 ILE MG . . 4.150 3.001 2.398 3.432 . 0 0 "[ . 1 . 2]" 1
883 1 85 LEU H 1 85 LEU HB2 . . 3.770 2.520 2.214 3.647 . 0 0 "[ . 1 . 2]" 1
884 1 85 LEU H 1 85 LEU HB3 . . 3.770 3.540 2.697 3.702 . 0 0 "[ . 1 . 2]" 1
885 1 87 PRO QB 1 88 GLU H . . 3.740 3.324 2.990 3.586 . 0 0 "[ . 1 . 2]" 1
886 1 88 GLU H 1 88 GLU QG . . 4.020 3.677 3.297 4.030 0.010 20 0 "[ . 1 . 2]" 1
887 1 90 ARG H 1 90 ARG HD3 . . 5.050 3.974 3.249 4.895 . 0 0 "[ . 1 . 2]" 1
888 1 92 LYS H 1 92 LYS QB . . 2.850 2.250 2.157 2.648 . 0 0 "[ . 1 . 2]" 1
889 1 94 ARG H 1 94 ARG QD . . 4.180 3.508 2.781 4.054 . 0 0 "[ . 1 . 2]" 1
890 1 94 ARG H 1 94 ARG HB2 . . 3.690 2.165 2.060 2.330 . 0 0 "[ . 1 . 2]" 1
891 1 95 GLU H 1 95 GLU HB2 . . 3.690 3.600 3.595 3.605 . 0 0 "[ . 1 . 2]" 1
892 1 95 GLU H 1 95 GLU HB3 . . 3.020 2.598 2.499 2.668 . 0 0 "[ . 1 . 2]" 1
893 1 96 LYS H 1 96 LYS QB . . 3.150 2.172 2.093 2.247 . 0 0 "[ . 1 . 2]" 1
894 1 94 ARG HA 1 97 PHE H . . 4.170 4.004 3.962 4.052 . 0 0 "[ . 1 . 2]" 1
895 1 98 ASP H 1 98 ASP HB2 . . 3.300 2.530 2.077 2.775 . 0 0 "[ . 1 . 2]" 1
896 1 98 ASP H 1 98 ASP HB3 . . 3.300 2.652 2.309 3.426 0.126 3 0 "[ . 1 . 2]" 1
897 1 99 GLU H 1 99 GLU QB . . 2.910 2.371 2.265 2.626 . 0 0 "[ . 1 . 2]" 1
898 1 101 SER H 1 101 SER QB . . 3.590 2.313 2.103 2.695 . 0 0 "[ . 1 . 2]" 1
899 1 103 MET H 1 103 MET HG3 . . 3.870 3.672 3.292 3.848 . 0 0 "[ . 1 . 2]" 1
900 1 104 GLN H 1 104 GLN HB3 . . 3.660 3.586 3.564 3.603 . 0 0 "[ . 1 . 2]" 1
901 1 107 GLU H 1 107 GLU QG . . 4.060 3.984 3.683 4.072 0.012 1 0 "[ . 1 . 2]" 1
902 1 108 LEU H 1 108 LEU HG . . 4.470 4.447 4.102 4.496 0.026 1 0 "[ . 1 . 2]" 1
903 1 108 LEU H 1 108 LEU QD . . 3.610 3.186 3.088 3.466 . 0 0 "[ . 1 . 2]" 1
904 1 109 MET H 1 109 MET HB2 . . 3.270 2.140 2.079 2.227 . 0 0 "[ . 1 . 2]" 1
905 1 110 THR H 1 110 THR HB . . 3.170 2.388 2.227 2.481 . 0 0 "[ . 1 . 2]" 1
906 1 110 THR H 1 110 THR MG . . 3.830 3.726 3.607 3.759 . 0 0 "[ . 1 . 2]" 1
907 1 111 LYS H 1 111 LYS QB . . 2.930 2.067 2.042 2.095 . 0 0 "[ . 1 . 2]" 1
908 1 111 LYS H 1 111 LYS QG . . 4.490 3.923 3.714 3.995 . 0 0 "[ . 1 . 2]" 1
909 1 113 HIS H 1 113 HIS HB2 . . 3.280 2.481 2.176 2.930 . 0 0 "[ . 1 . 2]" 1
910 1 114 ASP H 1 114 ASP HB3 . . 3.220 3.055 2.772 3.248 0.028 14 0 "[ . 1 . 2]" 1
911 1 115 LEU H 1 115 LEU HB2 . . 3.420 2.194 2.054 2.467 . 0 0 "[ . 1 . 2]" 1
912 1 116 LYS H 1 116 LYS QD . . 3.580 3.597 1.955 4.013 0.433 12 0 "[ . 1 . 2]" 1
913 1 116 LYS H 1 116 LYS QG . . 3.910 2.722 1.825 3.902 . 0 0 "[ . 1 . 2]" 1
914 1 117 LYS QB 1 118 GLN H . . 2.940 2.499 2.075 2.951 0.011 4 0 "[ . 1 . 2]" 1
915 1 117 LYS H 1 117 LYS QD . . 4.500 4.165 3.198 4.524 0.024 18 0 "[ . 1 . 2]" 1
916 1 121 ILE H 1 121 ILE QG . . 4.310 3.571 2.187 4.258 . 0 0 "[ . 1 . 2]" 1
917 1 121 ILE H 1 122 LYS QG . . 4.570 4.318 3.869 4.666 0.096 5 0 "[ . 1 . 2]" 1
918 1 122 LYS H 1 122 LYS HB3 . . 3.960 3.800 3.663 3.836 . 0 0 "[ . 1 . 2]" 1
919 1 121 ILE QG 1 122 LYS H . . 3.360 2.552 1.984 3.463 0.103 6 0 "[ . 1 . 2]" 1
920 1 122 LYS H 1 122 LYS QG . . 3.600 2.805 2.652 3.520 . 0 0 "[ . 1 . 2]" 1
921 1 126 VAL H 1 126 VAL HB . . 3.110 2.598 2.509 2.740 . 0 0 "[ . 1 . 2]" 1
922 1 125 PRO HB2 1 126 VAL H . . 4.120 3.240 2.976 3.441 . 0 0 "[ . 1 . 2]" 1
923 1 127 LYS H 1 127 LYS QD . . 4.350 3.905 2.518 4.380 0.030 17 0 "[ . 1 . 2]" 1
924 1 128 GLU H 1 128 GLU QB . . 3.360 2.383 2.168 2.663 . 0 0 "[ . 1 . 2]" 1
925 1 129 VAL H 1 129 VAL HB . . 3.750 2.408 2.384 2.553 . 0 0 "[ . 1 . 2]" 1
926 1 129 VAL H 1 129 VAL MG2 . . 3.620 3.146 3.024 3.197 . 0 0 "[ . 1 . 2]" 1
927 1 131 GLU H 1 131 GLU HG2 . . 3.920 3.312 2.470 3.939 0.019 19 0 "[ . 1 . 2]" 1
928 1 131 GLU H 1 131 GLU HG3 . . 3.920 2.467 1.918 3.568 . 0 0 "[ . 1 . 2]" 1
929 1 134 ASP H 1 134 ASP HB2 . . 3.640 2.925 2.348 3.615 . 0 0 "[ . 1 . 2]" 1
930 1 136 TRP H 1 136 TRP HB2 . . 3.610 2.284 2.161 2.460 . 0 0 "[ . 1 . 2]" 1
931 1 136 TRP H 1 136 TRP HB3 . . 3.610 3.537 3.430 3.587 . 0 0 "[ . 1 . 2]" 1
932 1 137 GLU H 1 137 GLU HG3 . . 4.050 3.646 2.956 4.128 0.078 11 0 "[ . 1 . 2]" 1
933 1 139 PRO HD2 1 140 ILE H . . 3.210 2.847 2.756 3.063 . 0 0 "[ . 1 . 2]" 1
934 1 142 GLN H 1 142 GLN HB2 . . 3.610 2.733 2.154 3.561 . 0 0 "[ . 1 . 2]" 1
935 1 142 GLN H 1 142 GLN HB3 . . 3.610 2.955 2.368 3.577 . 0 0 "[ . 1 . 2]" 1
936 1 144 ILE H 1 144 ILE MG . . 3.990 2.935 1.925 4.011 0.021 6 0 "[ . 1 . 2]" 1
937 1 144 ILE H 1 144 ILE MD . . 3.850 3.616 2.951 3.862 0.012 15 0 "[ . 1 . 2]" 1
938 1 62 ILE MG 1 75 ILE H . . 4.300 4.187 3.739 4.368 0.068 18 0 "[ . 1 . 2]" 1
939 1 75 ILE H 1 75 ILE MG . . 3.920 2.432 2.295 2.559 . 0 0 "[ . 1 . 2]" 1
940 1 75 ILE H 1 75 ILE QG . . 3.020 2.546 2.431 2.655 . 0 0 "[ . 1 . 2]" 1
941 1 54 PRO HB2 1 55 ASP H . . 4.320 3.515 3.142 3.665 . 0 0 "[ . 1 . 2]" 1
942 1 61 ASN H 1 76 LEU QB . . 4.280 3.788 3.652 4.001 . 0 0 "[ . 1 . 2]" 1
943 1 62 ILE H 1 62 ILE QG . . 3.450 2.018 1.892 2.102 . 0 0 "[ . 1 . 2]" 1
944 1 63 PHE HB2 1 64 LEU H . . 4.090 2.832 2.669 2.951 . 0 0 "[ . 1 . 2]" 1
945 1 63 PHE HB3 1 64 LEU H . . 4.090 3.690 3.595 3.776 . 0 0 "[ . 1 . 2]" 1
946 1 74 ARG H 1 74 ARG HD2 . . 5.470 4.602 3.047 5.402 . 0 0 "[ . 1 . 2]" 1
947 1 74 ARG H 1 74 ARG HD3 . . 5.470 4.349 2.882 5.546 0.076 15 0 "[ . 1 . 2]" 1
948 1 74 ARG H 1 74 ARG HB2 . . 4.110 2.709 2.536 2.912 . 0 0 "[ . 1 . 2]" 1
949 1 74 ARG H 1 74 ARG QG . . 4.580 3.424 2.590 4.242 . 0 0 "[ . 1 . 2]" 1
950 1 85 LEU H 1 85 LEU MD1 . . 4.040 3.174 2.006 3.900 . 0 0 "[ . 1 . 2]" 1
951 1 85 LEU H 1 85 LEU MD2 . . 4.040 2.814 1.884 4.049 0.009 16 0 "[ . 1 . 2]" 1
952 1 87 PRO QG 1 88 GLU H . . 2.970 2.551 2.078 2.989 0.019 16 0 "[ . 1 . 2]" 1
953 1 88 GLU H 1 88 GLU HB2 . . 3.350 2.140 2.062 2.333 . 0 0 "[ . 1 . 2]" 1
954 1 88 GLU H 1 88 GLU HB3 . . 3.350 3.101 2.796 3.323 . 0 0 "[ . 1 . 2]" 1
955 1 88 GLU HB2 1 89 GLU H . . 3.790 3.493 3.034 3.796 0.006 1 0 "[ . 1 . 2]" 1
956 1 88 GLU HB3 1 89 GLU H . . 3.790 3.039 2.402 3.306 . 0 0 "[ . 1 . 2]" 1
957 1 94 ARG H 1 94 ARG HB3 . . 3.690 3.402 3.220 3.560 . 0 0 "[ . 1 . 2]" 1
958 1 103 MET H 1 103 MET HB3 . . 3.790 3.571 3.541 3.605 . 0 0 "[ . 1 . 2]" 1
959 1 103 MET HB3 1 104 GLN H . . 3.080 2.836 2.608 3.097 0.017 17 0 "[ . 1 . 2]" 1
960 1 123 ASP H 1 123 ASP HB2 . . 3.830 3.116 2.914 3.790 . 0 0 "[ . 1 . 2]" 1
961 1 123 ASP H 1 123 ASP HB3 . . 3.830 2.643 2.446 3.228 . 0 0 "[ . 1 . 2]" 1
962 1 126 VAL H 1 126 VAL MG1 . . 2.990 2.063 1.941 2.193 . 0 0 "[ . 1 . 2]" 1
963 1 27 LEU H 1 79 SER QB . . 3.520 2.768 2.222 3.205 . 0 0 "[ . 1 . 2]" 1
964 1 31 PHE H 1 140 ILE HB . . 5.220 5.203 4.972 5.389 0.169 18 0 "[ . 1 . 2]" 1
965 1 31 PHE H 1 31 PHE HB2 . . 3.560 3.182 2.814 3.373 . 0 0 "[ . 1 . 2]" 1
966 1 31 PHE H 1 31 PHE HB3 . . 3.560 2.731 2.538 2.983 . 0 0 "[ . 1 . 2]" 1
967 1 31 PHE HB2 1 32 GLN H . . 4.300 4.122 3.992 4.303 0.003 20 0 "[ . 1 . 2]" 1
968 1 31 PHE HB3 1 32 GLN H . . 4.300 4.075 3.772 4.331 0.031 20 0 "[ . 1 . 2]" 1
969 1 33 THR H 1 34 ILE MG . . 5.500 4.612 3.461 5.605 0.105 3 0 "[ . 1 . 2]" 1
970 1 34 ILE H 1 34 ILE MG . . 4.030 3.685 3.213 3.993 . 0 0 "[ . 1 . 2]" 1
971 1 53 PHE H 1 53 PHE QB . . 3.800 2.522 2.343 2.951 . 0 0 "[ . 1 . 2]" 1
972 1 86 HIS H 1 86 HIS HB3 . . 4.180 4.005 3.810 4.094 . 0 0 "[ . 1 . 2]" 1
973 1 86 HIS H 1 86 HIS HB2 . . 4.180 3.511 3.080 3.710 . 0 0 "[ . 1 . 2]" 1
974 1 35 ASN H 1 35 ASN HB3 . . 3.760 3.253 2.438 3.746 . 0 0 "[ . 1 . 2]" 1
975 1 35 ASN H 1 35 ASN HB2 . . 3.760 2.886 2.189 3.648 . 0 0 "[ . 1 . 2]" 1
976 1 115 LEU HA 1 117 LYS H . . 3.620 3.501 3.283 3.879 0.259 20 0 "[ . 1 . 2]" 1
977 1 115 LEU HA 1 118 GLN H . . 4.180 3.686 2.908 4.183 0.003 6 0 "[ . 1 . 2]" 1
978 1 41 LEU H 1 41 LEU HB3 . . 3.440 2.627 2.228 2.930 . 0 0 "[ . 1 . 2]" 1
979 1 41 LEU H 1 41 LEU MD2 . . 4.390 4.081 3.896 4.181 . 0 0 "[ . 1 . 2]" 1
980 1 41 LEU H 1 44 ALA MB . . 4.790 4.315 4.217 4.397 . 0 0 "[ . 1 . 2]" 1
981 1 40 SER HA 1 44 ALA H . . 4.380 3.919 3.704 4.072 . 0 0 "[ . 1 . 2]" 1
982 1 41 LEU H 1 41 LEU HB2 . . 3.250 2.422 2.158 2.827 . 0 0 "[ . 1 . 2]" 1
983 1 39 GLU H 1 41 LEU H . . 4.520 4.367 4.224 4.552 0.032 6 0 "[ . 1 . 2]" 1
984 1 42 VAL H 1 44 ALA H . . 4.410 3.921 3.704 4.230 . 0 0 "[ . 1 . 2]" 1
985 1 44 ALA H 1 112 TYR QB . . 5.460 4.947 4.496 5.461 0.001 18 0 "[ . 1 . 2]" 1
986 1 45 LEU H 1 45 LEU HB2 . . 3.670 3.527 3.505 3.555 . 0 0 "[ . 1 . 2]" 1
987 1 45 LEU H 1 45 LEU HG . . 3.030 2.820 2.651 2.948 . 0 0 "[ . 1 . 2]" 1
988 1 45 LEU HG 1 46 ALA H . . 3.300 2.065 1.938 2.174 . 0 0 "[ . 1 . 2]" 1
989 1 123 ASP HA 1 124 ARG H . . 3.280 2.274 2.222 2.393 . 0 0 "[ . 1 . 2]" 1
990 1 50 ALA H 1 53 PHE QB . . 5.500 5.012 4.691 5.962 0.462 12 0 "[ . 1 . 2]" 1
991 1 50 ALA H 1 51 SER H . . 3.230 2.667 2.513 2.747 . 0 0 "[ . 1 . 2]" 1
992 1 51 SER H 1 52 ASP H . . 3.140 2.497 2.451 2.863 . 0 0 "[ . 1 . 2]" 1
993 1 52 ASP H 1 52 ASP HB2 . . 3.630 2.521 2.204 3.489 . 0 0 "[ . 1 . 2]" 1
994 1 52 ASP H 1 52 ASP HB3 . . 3.630 2.943 2.183 3.609 . 0 0 "[ . 1 . 2]" 1
995 1 56 LEU H 1 58 ILE H . . 4.630 4.093 3.730 4.781 0.151 19 0 "[ . 1 . 2]" 1
996 1 58 ILE H 1 58 ILE QG . . 4.160 4.003 3.940 4.133 . 0 0 "[ . 1 . 2]" 1
997 1 59 LYS H 1 79 SER H . . 5.070 5.049 4.905 5.119 0.049 19 0 "[ . 1 . 2]" 1
998 1 59 LYS H 1 59 LYS HG2 . . 4.750 3.490 2.328 4.802 0.052 8 0 "[ . 1 . 2]" 1
999 1 59 LYS H 1 59 LYS HG3 . . 4.750 4.141 3.840 4.390 . 0 0 "[ . 1 . 2]" 1
1000 1 59 LYS QE 1 60 TYR H . . 4.580 4.411 3.969 4.942 0.362 19 0 "[ . 1 . 2]" 1
1001 1 61 ASN H 1 62 ILE H . . 4.460 4.309 4.135 4.379 . 0 0 "[ . 1 . 2]" 1
1002 1 39 GLU HB2 1 40 SER H . . 4.070 3.414 2.449 4.072 0.002 18 0 "[ . 1 . 2]" 1
1003 1 61 ASN H 1 78 GLN H . . 5.500 5.195 4.960 5.381 . 0 0 "[ . 1 . 2]" 1
1004 1 29 ILE H 1 77 PHE HB2 . . 5.420 5.015 4.498 5.488 0.068 18 0 "[ . 1 . 2]" 1
1005 1 30 ALA H 1 31 PHE H . . 4.610 4.460 4.424 4.491 . 0 0 "[ . 1 . 2]" 1
1006 1 32 GLN H 1 32 GLN HB3 . . 3.870 2.821 2.380 3.480 . 0 0 "[ . 1 . 2]" 1
1007 1 38 ASP H 1 38 ASP HB3 . . 3.610 3.452 2.666 3.865 0.255 18 0 "[ . 1 . 2]" 1
1008 1 54 PRO HB3 1 55 ASP H . . 4.320 4.246 4.029 4.333 0.013 9 0 "[ . 1 . 2]" 1
1009 1 63 PHE H 1 63 PHE HB3 . . 3.800 3.455 3.393 3.502 . 0 0 "[ . 1 . 2]" 1
1010 1 63 PHE H 1 127 LYS H . . 4.730 4.460 4.375 4.534 . 0 0 "[ . 1 . 2]" 1
1011 1 63 PHE H 1 63 PHE HB2 . . 3.800 3.679 3.641 3.717 . 0 0 "[ . 1 . 2]" 1
1012 1 66 ASP H 1 72 TYR H . . 5.110 4.924 4.811 5.083 . 0 0 "[ . 1 . 2]" 1
1013 1 67 LEU H 1 67 LEU HB3 . . 3.530 3.354 2.532 3.615 0.085 19 0 "[ . 1 . 2]" 1
1014 1 62 ILE H 1 76 LEU H . . 4.960 5.023 4.907 5.087 0.127 7 0 "[ . 1 . 2]" 1
1015 1 30 ALA HA 1 76 LEU H . . 5.310 5.175 5.048 5.294 . 0 0 "[ . 1 . 2]" 1
1016 1 62 ILE HA 1 76 LEU H . . 3.460 3.444 3.314 3.557 0.097 14 0 "[ . 1 . 2]" 1
1017 1 76 LEU QB 1 77 PHE H . . 3.920 3.719 3.586 3.788 . 0 0 "[ . 1 . 2]" 1
1018 1 61 ASN H 1 77 PHE H . . 5.420 4.975 4.872 5.163 . 0 0 "[ . 1 . 2]" 1
1019 1 78 GLN H 1 78 GLN QB . . 3.720 2.909 2.485 3.226 . 0 0 "[ . 1 . 2]" 1
1020 1 81 LYS H 1 81 LYS QD . . 5.110 4.130 2.832 4.606 . 0 0 "[ . 1 . 2]" 1
1021 1 81 LYS H 1 81 LYS QG . . 4.140 3.006 2.042 4.111 . 0 0 "[ . 1 . 2]" 1
1022 1 81 LYS H 1 82 LEU H . . 3.680 2.424 2.200 2.545 . 0 0 "[ . 1 . 2]" 1
1023 1 80 LYS QB 1 82 LEU H . . 4.610 4.403 4.173 4.664 0.054 4 0 "[ . 1 . 2]" 1
1024 1 84 GLU H 1 84 GLU QG . . 4.460 3.019 2.117 3.978 . 0 0 "[ . 1 . 2]" 1
1025 1 88 GLU HA 1 90 ARG H . . 4.440 4.264 4.014 4.458 0.018 19 0 "[ . 1 . 2]" 1
1026 1 90 ARG H 1 90 ARG QG . . 3.640 2.967 1.941 3.716 0.076 4 0 "[ . 1 . 2]" 1
1027 1 91 LYS H 1 91 LYS HG3 . . 3.570 3.128 2.827 3.412 . 0 0 "[ . 1 . 2]" 1
1028 1 91 LYS H 1 91 LYS QB . . 2.880 2.584 2.530 2.653 . 0 0 "[ . 1 . 2]" 1
1029 1 91 LYS H 1 91 LYS QD . . 3.850 3.788 3.667 3.985 0.135 13 0 "[ . 1 . 2]" 1
1030 1 91 LYS H 1 91 LYS QE . . 4.730 4.210 2.669 4.729 . 0 0 "[ . 1 . 2]" 1
1031 1 90 ARG HA 1 93 VAL H . . 4.000 3.866 3.692 3.961 . 0 0 "[ . 1 . 2]" 1
1032 1 96 LYS H 1 96 LYS QG . . 4.230 3.894 3.738 4.049 . 0 0 "[ . 1 . 2]" 1
1033 1 97 PHE H 1 98 ASP H . . 3.480 2.542 2.507 2.588 . 0 0 "[ . 1 . 2]" 1
1034 1 102 ARG H 1 102 ARG HG2 . . 3.580 3.502 3.356 3.569 . 0 0 "[ . 1 . 2]" 1
1035 1 102 ARG H 1 102 ARG HG3 . . 3.460 2.829 2.688 2.919 . 0 0 "[ . 1 . 2]" 1
1036 1 101 SER H 1 103 MET H . . 4.340 3.695 3.633 3.740 . 0 0 "[ . 1 . 2]" 1
1037 1 101 SER HA 1 103 MET H . . 3.860 3.718 3.685 3.818 . 0 0 "[ . 1 . 2]" 1
1038 1 106 SER H 1 108 LEU HB3 . . 5.500 5.558 5.469 5.617 0.117 4 0 "[ . 1 . 2]" 1
1039 1 107 GLU H 1 108 LEU QD . . 5.040 4.980 4.771 5.128 0.088 17 0 "[ . 1 . 2]" 1
1040 1 108 LEU QD 1 111 LYS H . . 5.030 4.669 4.306 5.078 0.048 17 0 "[ . 1 . 2]" 1
1041 1 111 LYS H 1 111 LYS QE . . 4.020 3.442 2.044 3.883 . 0 0 "[ . 1 . 2]" 1
1042 1 112 TYR HA 1 115 LEU H . . 4.350 4.222 3.751 4.418 0.068 12 0 "[ . 1 . 2]" 1
1043 1 116 LYS H 1 116 LYS QB . . 3.420 2.374 2.037 2.670 . 0 0 "[ . 1 . 2]" 1
1044 1 120 LYS H 1 120 LYS QE . . 4.460 4.231 2.789 4.469 0.009 10 0 "[ . 1 . 2]" 1
1045 1 126 VAL H 1 127 LYS H . . 4.650 4.568 4.532 4.590 . 0 0 "[ . 1 . 2]" 1
1046 1 62 ILE H 1 127 LYS H . . 4.790 4.540 4.408 4.709 . 0 0 "[ . 1 . 2]" 1
1047 1 66 ASP H 1 129 VAL H . . 4.080 4.091 3.951 4.185 0.105 9 0 "[ . 1 . 2]" 1
1048 1 133 TYR H 1 133 TYR QD . . 4.470 3.075 2.413 4.469 . 0 0 "[ . 1 . 2]" 1
1049 1 135 LEU H 1 137 GLU H . . 5.250 4.805 3.413 5.227 . 0 0 "[ . 1 . 2]" 1
1050 1 135 LEU H 1 135 LEU HG . . 3.680 2.828 1.912 3.991 0.311 11 0 "[ . 1 . 2]" 1
1051 1 135 LEU H 1 135 LEU QB . . 3.830 2.516 2.278 2.690 . 0 0 "[ . 1 . 2]" 1
1052 1 135 LEU H 1 135 LEU MD1 . . 3.980 3.143 1.885 3.992 0.012 1 0 "[ . 1 . 2]" 1
1053 1 135 LEU H 1 135 LEU MD2 . . 3.980 2.651 1.862 3.997 0.017 18 0 "[ . 1 . 2]" 1
1054 1 137 GLU H 1 137 GLU HG2 . . 4.050 3.205 2.740 3.645 . 0 0 "[ . 1 . 2]" 1
1055 1 140 ILE H 1 141 TRP QB . . 4.380 4.139 4.043 4.243 . 0 0 "[ . 1 . 2]" 1
1056 1 139 PRO HA 1 141 TRP H . . 4.370 4.177 4.048 4.301 . 0 0 "[ . 1 . 2]" 1
1057 1 141 TRP H 1 141 TRP QB . . 3.350 2.247 2.109 2.316 . 0 0 "[ . 1 . 2]" 1
1058 1 78 GLN HA 1 79 SER H . . 3.200 2.289 2.243 2.299 . 0 0 "[ . 1 . 2]" 1
1059 1 75 ILE HA 1 76 LEU H . . 3.220 2.185 2.173 2.196 . 0 0 "[ . 1 . 2]" 1
1060 1 63 PHE H 1 75 ILE HA . . 3.480 3.108 2.872 3.397 . 0 0 "[ . 1 . 2]" 1
1061 1 64 LEU H 1 126 VAL HA . . 5.110 4.765 4.658 4.905 . 0 0 "[ . 1 . 2]" 1
1062 1 63 PHE H 1 63 PHE QD . . 3.600 3.005 2.871 3.075 . 0 0 "[ . 1 . 2]" 1
1063 1 39 GLU H 1 39 GLU HB3 . . 3.640 2.855 2.361 3.593 . 0 0 "[ . 1 . 2]" 1
1064 1 39 GLU H 1 39 GLU HB2 . . 3.640 3.099 2.067 3.595 . 0 0 "[ . 1 . 2]" 1
1065 1 39 GLU HB3 1 40 SER H . . 4.070 3.625 2.519 4.047 . 0 0 "[ . 1 . 2]" 1
1066 1 60 TYR H 1 60 TYR QD . . 4.380 2.535 1.920 4.369 . 0 0 "[ . 1 . 2]" 1
1067 1 73 PHE H 1 73 PHE QE . . 4.810 4.620 4.395 4.842 0.032 20 0 "[ . 1 . 2]" 1
1068 1 77 PHE H 1 77 PHE QD . . 4.320 4.210 4.059 4.259 . 0 0 "[ . 1 . 2]" 1
1069 1 97 PHE H 1 97 PHE QE . . 5.300 5.075 4.899 5.243 . 0 0 "[ . 1 . 2]" 1
1070 1 27 LEU H 1 79 SER HA . . 5.450 5.251 4.794 5.532 0.082 2 0 "[ . 1 . 2]" 1
1071 1 27 LEU HA 1 28 GLU H . . 3.190 2.354 2.241 2.398 . 0 0 "[ . 1 . 2]" 1
1072 1 29 ILE H 1 77 PHE H . . 4.270 3.679 3.326 4.020 . 0 0 "[ . 1 . 2]" 1
1073 1 30 ALA HA 1 77 PHE H . . 3.890 2.910 2.518 3.231 . 0 0 "[ . 1 . 2]" 1
1074 1 56 LEU HA 1 57 ASP H . . 3.240 3.116 2.975 3.352 0.112 10 0 "[ . 1 . 2]" 1
1075 1 32 GLN HA 1 75 ILE H . . 5.010 3.283 2.917 3.819 . 0 0 "[ . 1 . 2]" 1
1076 1 31 PHE H 1 75 ILE H . . 4.110 3.241 2.782 3.506 . 0 0 "[ . 1 . 2]" 1
1077 1 97 PHE H 1 97 PHE QD . . 3.870 2.903 2.744 3.094 . 0 0 "[ . 1 . 2]" 1
1078 1 27 LEU H 1 27 LEU MD1 . . 4.610 4.095 1.900 4.422 . 0 0 "[ . 1 . 2]" 1
1079 1 29 ILE H 1 78 GLN HA . . 4.240 3.354 2.990 3.878 . 0 0 "[ . 1 . 2]" 1
1080 1 29 ILE H 1 29 ILE QG . . 3.800 2.178 2.031 2.256 . 0 0 "[ . 1 . 2]" 1
1081 1 43 GLN H 1 43 GLN HG2 . . 3.790 2.755 1.932 3.807 0.017 2 0 "[ . 1 . 2]" 1
1082 1 42 VAL HB 1 43 GLN H . . 3.830 2.337 2.261 2.473 . 0 0 "[ . 1 . 2]" 1
1083 1 51 SER H 1 51 SER QB . . 3.510 2.342 2.167 2.655 . 0 0 "[ . 1 . 2]" 1
1084 1 53 PHE H 1 53 PHE QD . . 3.760 3.283 2.736 3.702 . 0 0 "[ . 1 . 2]" 1
1085 1 64 LEU HA 1 72 TYR H . . 5.110 5.038 4.748 5.173 0.063 18 0 "[ . 1 . 2]" 1
1086 1 76 LEU HG 1 136 TRP HE1 . . 3.770 3.397 2.861 3.835 0.065 9 0 "[ . 1 . 2]" 1
1087 1 30 ALA HA 1 136 TRP HE1 . . 4.700 4.749 4.577 4.838 0.138 9 0 "[ . 1 . 2]" 1
1088 1 65 VAL HA 1 129 VAL H . . 3.920 2.764 2.687 2.835 . 0 0 "[ . 1 . 2]" 1
1089 1 64 LEU H 1 128 GLU HA . . 3.750 3.192 3.076 3.279 . 0 0 "[ . 1 . 2]" 1
1090 1 26 GLY QA 1 27 LEU H . . 3.080 2.871 2.849 2.891 . 0 0 "[ . 1 . 2]" 1
1091 1 27 LEU H 1 27 LEU QD . . 3.980 2.932 1.892 3.751 . 0 0 "[ . 1 . 2]" 1
1092 1 27 LEU H 1 28 GLU QG . . 5.340 5.024 4.547 5.409 0.069 3 0 "[ . 1 . 2]" 1
1093 1 27 LEU HA 1 27 LEU QD . . 2.970 2.007 1.835 3.045 0.075 8 0 "[ . 1 . 2]" 1
1094 1 27 LEU HA 1 82 LEU QB . . 5.130 3.328 2.596 4.401 . 0 0 "[ . 1 . 2]" 1
1095 1 27 LEU QB 1 27 LEU HG . . 2.450 2.166 2.158 2.168 . 0 0 "[ . 1 . 2]" 1
1096 1 27 LEU QB 1 27 LEU QD . . 2.830 1.981 1.954 2.043 . 0 0 "[ . 1 . 2]" 1
1097 1 27 LEU QB 1 28 GLU H . . 3.740 2.655 2.486 3.483 . 0 0 "[ . 1 . 2]" 1
1098 1 27 LEU QD 1 28 GLU QG . . 4.020 3.704 3.068 4.063 0.043 17 0 "[ . 1 . 2]" 1
1099 1 27 LEU QD 1 82 LEU H . . 5.440 5.013 4.188 5.539 0.099 20 0 "[ . 1 . 2]" 1
1100 1 27 LEU QD 1 82 LEU HA . . 3.870 3.357 2.214 3.944 0.074 10 0 "[ . 1 . 2]" 1
1101 1 27 LEU QD 1 93 VAL HA . . 5.440 5.266 4.713 5.669 0.229 20 0 "[ . 1 . 2]" 1
1102 1 27 LEU QD 1 93 VAL HB . . 4.350 4.139 3.206 4.359 0.009 10 0 "[ . 1 . 2]" 1
1103 1 27 LEU QD 1 93 VAL MG2 . . 3.670 2.636 1.742 2.966 . 0 0 "[ . 1 . 2]" 1
1104 1 28 GLU H 1 28 GLU QG . . 3.400 2.334 1.896 2.707 . 0 0 "[ . 1 . 2]" 1
1105 1 28 GLU HA 1 28 GLU QG . . 3.540 2.779 2.456 3.387 . 0 0 "[ . 1 . 2]" 1
1106 1 28 GLU QB 1 28 GLU QG . . 2.200 2.056 1.995 2.086 . 0 0 "[ . 1 . 2]" 1
1107 1 28 GLU QG 1 29 ILE MD . . 5.020 4.580 4.362 5.062 0.042 8 0 "[ . 1 . 2]" 1
1108 1 30 ALA H 1 139 PRO QG . . 5.230 3.944 3.162 4.653 . 0 0 "[ . 1 . 2]" 1
1109 1 30 ALA MB 1 139 PRO QG . . 3.830 2.335 1.950 2.928 . 0 0 "[ . 1 . 2]" 1
1110 1 31 PHE QB 1 75 ILE MD . . 4.120 2.809 2.662 3.001 . 0 0 "[ . 1 . 2]" 1
1111 1 31 PHE QD 1 41 LEU QD . . 3.690 3.477 3.084 3.780 0.090 18 0 "[ . 1 . 2]" 1
1112 1 31 PHE QD 1 42 VAL QG . . 2.750 2.735 2.549 2.851 0.101 20 0 "[ . 1 . 2]" 1
1113 1 31 PHE QD 1 144 ILE QG . . 5.170 4.541 2.392 5.183 0.013 11 0 "[ . 1 . 2]" 1
1114 1 32 GLN H 1 32 GLN QB . . 3.020 2.655 2.287 3.040 0.020 6 0 "[ . 1 . 2]" 1
1115 1 32 GLN HA 1 74 ARG QD . . 4.480 3.678 2.106 4.607 0.127 15 0 "[ . 1 . 2]" 1
1116 1 33 THR H 1 42 VAL QG . . 5.150 4.765 4.474 5.150 . 0 0 "[ . 1 . 2]" 1
1117 1 33 THR H 1 72 TYR QB . . 4.700 4.383 4.079 4.798 0.098 10 0 "[ . 1 . 2]" 1
1118 1 33 THR HB 1 42 VAL QG . . 3.640 2.729 2.185 3.305 . 0 0 "[ . 1 . 2]" 1
1119 1 33 THR MG 1 42 VAL QG . . 2.790 1.951 1.795 2.440 . 0 0 "[ . 1 . 2]" 1
1120 1 34 ILE MD 1 35 ASN QB . . 4.390 3.707 1.956 4.623 0.233 6 0 "[ . 1 . 2]" 1
1121 1 36 GLY QA 1 38 ASP H . . 4.230 3.625 3.078 4.285 0.055 6 0 "[ . 1 . 2]" 1
1122 1 37 LEU H 1 37 LEU QD . . 3.620 2.817 1.827 3.683 0.063 8 0 "[ . 1 . 2]" 1
1123 1 37 LEU HA 1 37 LEU QD . . 2.950 2.351 1.995 3.256 0.306 7 0 "[ . 1 . 2]" 1
1124 1 37 LEU QB 1 37 LEU QD . . 2.340 1.916 1.793 1.986 . 0 0 "[ . 1 . 2]" 1
1125 1 37 LEU QB 1 38 ASP H . . 4.210 3.281 2.414 3.968 . 0 0 "[ . 1 . 2]" 1
1126 1 37 LEU QB 1 38 ASP HA . . 4.950 4.150 3.811 4.913 . 0 0 "[ . 1 . 2]" 1
1127 1 37 LEU QB 1 39 GLU H . . 5.340 4.669 2.547 5.365 0.025 16 0 "[ . 1 . 2]" 1
1128 1 38 ASP H 1 38 ASP QB . . 3.110 2.461 2.131 3.379 0.269 18 0 "[ . 1 . 2]" 1
1129 1 38 ASP QB 1 39 GLU H . . 3.900 2.874 1.965 3.812 . 0 0 "[ . 1 . 2]" 1
1130 1 39 GLU H 1 39 GLU QB . . 3.050 2.421 2.045 2.611 . 0 0 "[ . 1 . 2]" 1
1131 1 39 GLU HA 1 42 VAL QG . . 3.200 2.419 2.093 2.892 . 0 0 "[ . 1 . 2]" 1
1132 1 39 GLU QB 1 40 SER H . . 3.450 3.050 2.407 3.562 0.112 18 0 "[ . 1 . 2]" 1
1133 1 39 GLU QB 1 42 VAL HB . . 4.490 4.335 4.004 4.570 0.080 16 0 "[ . 1 . 2]" 1
1134 1 39 GLU QB 1 42 VAL QG . . 4.370 3.970 3.697 4.172 . 0 0 "[ . 1 . 2]" 1
1135 1 41 LEU H 1 41 LEU QD . . 3.850 3.679 3.567 3.761 . 0 0 "[ . 1 . 2]" 1
1136 1 41 LEU H 1 42 VAL QG . . 4.210 3.897 3.751 4.120 . 0 0 "[ . 1 . 2]" 1
1137 1 41 LEU HA 1 41 LEU QD . . 3.390 2.023 1.892 2.280 . 0 0 "[ . 1 . 2]" 1
1138 1 41 LEU HB3 1 41 LEU QD . . 2.640 2.107 1.986 2.220 . 0 0 "[ . 1 . 2]" 1
1139 1 41 LEU HB3 1 42 VAL QG . . 3.520 3.182 3.032 3.434 . 0 0 "[ . 1 . 2]" 1
1140 1 41 LEU QD 1 42 VAL HA . . 3.980 3.304 2.675 3.994 0.014 5 0 "[ . 1 . 2]" 1
1141 1 41 LEU QD 1 45 LEU HB3 . . 3.170 2.099 1.994 2.438 . 0 0 "[ . 1 . 2]" 1
1142 1 41 LEU QD 1 45 LEU MD1 . . 4.430 3.839 3.631 4.233 . 0 0 "[ . 1 . 2]" 1
1143 1 41 LEU QD 1 45 LEU MD2 . . 3.090 1.975 1.736 2.459 . 0 0 "[ . 1 . 2]" 1
1144 1 41 LEU QD 1 102 ARG HA . . 4.770 4.202 3.442 4.815 0.045 8 0 "[ . 1 . 2]" 1
1145 1 41 LEU QD 1 103 MET H . . 4.910 4.363 4.002 4.673 . 0 0 "[ . 1 . 2]" 1
1146 1 42 VAL H 1 42 VAL QG . . 3.230 2.120 1.896 2.289 . 0 0 "[ . 1 . 2]" 1
1147 1 42 VAL QG 1 45 LEU MD2 . . 3.100 2.777 2.654 2.877 . 0 0 "[ . 1 . 2]" 1
1148 1 42 VAL QG 1 46 ALA MB . . 3.740 3.240 2.973 3.380 . 0 0 "[ . 1 . 2]" 1
1149 1 42 VAL QG 1 62 ILE HA . . 5.340 4.449 4.259 4.787 . 0 0 "[ . 1 . 2]" 1
1150 1 42 VAL QG 1 62 ILE MG . . 2.490 1.920 1.783 2.210 . 0 0 "[ . 1 . 2]" 1
1151 1 42 VAL QG 1 62 ILE MD . . 3.290 2.378 2.122 2.587 . 0 0 "[ . 1 . 2]" 1
1152 1 42 VAL QG 1 75 ILE QG . . 4.530 3.281 3.042 3.613 . 0 0 "[ . 1 . 2]" 1
1153 1 43 GLN H 1 43 GLN QG . . 3.160 2.332 1.921 2.754 . 0 0 "[ . 1 . 2]" 1
1154 1 43 GLN QB 1 43 GLN QG . . 2.420 2.059 1.995 2.086 . 0 0 "[ . 1 . 2]" 1
1155 1 43 GLN QG 1 44 ALA H . . 4.480 3.535 2.083 4.401 . 0 0 "[ . 1 . 2]" 1
1156 1 43 GLN QG 1 121 ILE MD . . 5.020 4.198 2.819 4.768 . 0 0 "[ . 1 . 2]" 1
1157 1 46 ALA MB 1 47 GLY QA . . 3.890 3.509 3.464 3.591 . 0 0 "[ . 1 . 2]" 1
1158 1 47 GLY QA 1 48 VAL HA . . 4.840 4.024 4.011 4.037 . 0 0 "[ . 1 . 2]" 1
1159 1 47 GLY QA 1 49 THR H . . 4.910 4.174 3.963 4.361 . 0 0 "[ . 1 . 2]" 1
1160 1 47 GLY QA 1 50 ALA H . . 4.880 3.631 3.483 3.771 . 0 0 "[ . 1 . 2]" 1
1161 1 47 GLY QA 1 51 SER H . . 4.810 3.746 3.506 3.948 . 0 0 "[ . 1 . 2]" 1
1162 1 47 GLY QA 1 121 ILE HB . . 4.340 2.263 2.048 2.699 . 0 0 "[ . 1 . 2]" 1
1163 1 47 GLY QA 1 121 ILE MG . . 3.530 3.072 1.807 3.621 0.091 17 0 "[ . 1 . 2]" 1
1164 1 47 GLY QA 1 121 ILE MD . . 3.820 2.739 1.895 3.876 0.056 18 0 "[ . 1 . 2]" 1
1165 1 48 VAL H 1 48 VAL QG . . 2.880 2.112 1.874 2.304 . 0 0 "[ . 1 . 2]" 1
1166 1 51 SER H 1 52 ASP QB . . 4.800 4.358 4.252 4.779 . 0 0 "[ . 1 . 2]" 1
1167 1 52 ASP H 1 52 ASP QB . . 3.090 2.271 2.162 2.377 . 0 0 "[ . 1 . 2]" 1
1168 1 52 ASP H 1 54 PRO QD . . 4.940 4.350 3.738 4.647 . 0 0 "[ . 1 . 2]" 1
1169 1 52 ASP QB 1 53 PHE H . . 3.650 3.062 2.486 3.574 . 0 0 "[ . 1 . 2]" 1
1170 1 53 PHE H 1 54 PRO QD . . 4.060 3.045 2.418 3.293 . 0 0 "[ . 1 . 2]" 1
1171 1 54 PRO QB 1 55 ASP QB . . 5.180 4.750 4.057 5.179 . 0 0 "[ . 1 . 2]" 1
1172 1 54 PRO QD 1 55 ASP H . . 3.440 2.654 2.601 2.690 . 0 0 "[ . 1 . 2]" 1
1173 1 55 ASP H 1 55 ASP QB . . 2.970 2.429 2.104 2.897 . 0 0 "[ . 1 . 2]" 1
1174 1 55 ASP QB 1 56 LEU H . . 3.750 3.199 3.037 3.739 . 0 0 "[ . 1 . 2]" 1
1175 1 55 ASP QB 1 56 LEU QD . . 5.070 4.561 3.651 5.077 0.007 7 0 "[ . 1 . 2]" 1
1176 1 55 ASP QB 1 57 ASP H . . 4.640 2.889 2.280 4.443 . 0 0 "[ . 1 . 2]" 1
1177 1 56 LEU H 1 56 LEU QB . . 3.540 3.130 2.049 3.439 . 0 0 "[ . 1 . 2]" 1
1178 1 56 LEU QB 1 56 LEU QD . . 2.340 1.855 1.725 1.949 . 0 0 "[ . 1 . 2]" 1
1179 1 56 LEU QB 1 57 ASP H . . 4.040 3.581 3.224 3.747 . 0 0 "[ . 1 . 2]" 1
1180 1 57 ASP H 1 57 ASP QB . . 3.420 2.714 2.285 3.334 . 0 0 "[ . 1 . 2]" 1
1181 1 57 ASP HA 1 59 LYS QD . . 4.790 3.965 3.170 4.670 . 0 0 "[ . 1 . 2]" 1
1182 1 57 ASP QB 1 58 ILE H . . 4.050 3.693 3.274 3.984 . 0 0 "[ . 1 . 2]" 1
1183 1 59 LYS H 1 59 LYS QB . . 3.450 2.515 2.301 2.737 . 0 0 "[ . 1 . 2]" 1
1184 1 59 LYS H 1 59 LYS QD . . 3.630 3.257 2.515 3.725 0.095 20 0 "[ . 1 . 2]" 1
1185 1 59 LYS HA 1 59 LYS QD . . 3.470 2.591 1.986 3.485 0.015 8 0 "[ . 1 . 2]" 1
1186 1 59 LYS QB 1 59 LYS QD . . 2.900 2.506 2.009 2.826 . 0 0 "[ . 1 . 2]" 1
1187 1 59 LYS QB 1 59 LYS QE . . 3.640 2.640 1.968 3.463 . 0 0 "[ . 1 . 2]" 1
1188 1 59 LYS QB 1 60 TYR HA . . 4.590 4.239 4.190 4.273 . 0 0 "[ . 1 . 2]" 1
1189 1 59 LYS QD 1 59 LYS QG . . 2.190 2.017 1.992 2.035 . 0 0 "[ . 1 . 2]" 1
1190 1 59 LYS QE 1 59 LYS QG . . 3.040 2.280 1.908 2.881 . 0 0 "[ . 1 . 2]" 1
1191 1 60 TYR H 1 60 TYR QB . . 3.670 2.647 2.392 2.816 . 0 0 "[ . 1 . 2]" 1
1192 1 61 ASN H 1 61 ASN QB . . 3.500 2.943 2.768 3.447 . 0 0 "[ . 1 . 2]" 1
1193 1 61 ASN QB 1 62 ILE HA . . 5.190 4.126 3.975 4.475 . 0 0 "[ . 1 . 2]" 1
1194 1 61 ASN QB 1 63 PHE QD . . 5.140 3.160 2.768 3.571 . 0 0 "[ . 1 . 2]" 1
1195 1 61 ASN QB 1 75 ILE MD . . 5.340 5.361 4.938 5.511 0.171 19 0 "[ . 1 . 2]" 1
1196 1 63 PHE H 1 63 PHE QB . . 3.310 3.166 3.142 3.185 . 0 0 "[ . 1 . 2]" 1
1197 1 63 PHE QB 1 64 LEU H . . 3.400 2.745 2.608 2.852 . 0 0 "[ . 1 . 2]" 1
1198 1 63 PHE QB 1 127 LYS H . . 4.650 2.966 2.769 3.114 . 0 0 "[ . 1 . 2]" 1
1199 1 63 PHE QD 1 65 VAL QG . . 3.910 2.572 2.349 2.735 . 0 0 "[ . 1 . 2]" 1
1200 1 63 PHE QE 1 65 VAL QG . . 3.820 3.414 3.205 3.714 . 0 0 "[ . 1 . 2]" 1
1201 1 63 PHE QE 1 135 LEU QD . . 3.830 2.240 1.873 2.491 . 0 0 "[ . 1 . 2]" 1
1202 1 64 LEU H 1 64 LEU QD . . 4.310 3.713 3.497 3.868 . 0 0 "[ . 1 . 2]" 1
1203 1 64 LEU HA 1 64 LEU QD . . 3.130 2.213 1.830 2.838 . 0 0 "[ . 1 . 2]" 1
1204 1 64 LEU HA 1 65 VAL QG . . 3.540 3.252 3.189 3.318 . 0 0 "[ . 1 . 2]" 1
1205 1 64 LEU QB 1 64 LEU QD . . 2.320 1.924 1.852 2.029 . 0 0 "[ . 1 . 2]" 1
1206 1 64 LEU QD 1 65 VAL HB . . 4.870 4.632 4.363 4.904 0.034 10 0 "[ . 1 . 2]" 1
1207 1 64 LEU QD 1 66 ASP HA . . 4.200 3.680 3.479 3.939 . 0 0 "[ . 1 . 2]" 1
1208 1 64 LEU QD 1 71 LYS HA . . 4.390 3.361 3.075 3.573 . 0 0 "[ . 1 . 2]" 1
1209 1 64 LEU QD 1 73 PHE H . . 4.170 3.748 3.405 4.219 0.049 6 0 "[ . 1 . 2]" 1
1210 1 64 LEU QD 1 73 PHE QD . . 3.190 2.877 2.567 3.195 0.005 8 0 "[ . 1 . 2]" 1
1211 1 64 LEU QD 1 73 PHE QE . . 3.440 2.634 2.155 3.170 . 0 0 "[ . 1 . 2]" 1
1212 1 64 LEU QD 1 74 ARG H . . 4.250 4.144 3.481 4.463 0.213 3 0 "[ . 1 . 2]" 1
1213 1 64 LEU QD 1 129 VAL H . . 4.490 4.176 3.444 4.612 0.122 10 0 "[ . 1 . 2]" 1
1214 1 65 VAL H 1 65 VAL QG . . 3.280 2.098 2.059 2.141 . 0 0 "[ . 1 . 2]" 1
1215 1 65 VAL HA 1 65 VAL QG . . 2.930 2.483 2.468 2.493 . 0 0 "[ . 1 . 2]" 1
1216 1 65 VAL HB 1 135 LEU QD . . 5.440 4.542 3.626 5.059 . 0 0 "[ . 1 . 2]" 1
1217 1 65 VAL QG 1 66 ASP HA . . 4.300 3.263 3.229 3.304 . 0 0 "[ . 1 . 2]" 1
1218 1 65 VAL QG 1 71 LYS HA . . 4.820 3.618 3.218 4.252 . 0 0 "[ . 1 . 2]" 1
1219 1 65 VAL QG 1 72 TYR H . . 5.070 2.474 1.939 2.973 . 0 0 "[ . 1 . 2]" 1
1220 1 65 VAL QG 1 73 PHE H . . 5.440 4.476 4.129 4.759 . 0 0 "[ . 1 . 2]" 1
1221 1 65 VAL QG 1 73 PHE HA . . 4.680 3.677 3.335 4.052 . 0 0 "[ . 1 . 2]" 1
1222 1 65 VAL QG 1 74 ARG HA . . 4.760 4.639 4.322 4.874 0.114 7 0 "[ . 1 . 2]" 1
1223 1 65 VAL QG 1 129 VAL MG1 . . 2.490 1.865 1.849 1.893 . 0 0 "[ . 1 . 2]" 1
1224 1 65 VAL QG 1 129 VAL MG2 . . 3.080 1.992 1.913 2.119 . 0 0 "[ . 1 . 2]" 1
1225 1 65 VAL QG 1 135 LEU QD . . 3.000 2.876 2.108 3.187 0.187 15 0 "[ . 1 . 2]" 1
1226 1 66 ASP H 1 67 LEU QB . . 4.920 4.101 3.939 4.461 . 0 0 "[ . 1 . 2]" 1
1227 1 66 ASP HA 1 71 LYS QB . . 4.440 3.211 2.524 4.437 . 0 0 "[ . 1 . 2]" 1
1228 1 66 ASP HA 1 71 LYS QG . . 4.500 4.179 3.045 4.768 0.268 9 0 "[ . 1 . 2]" 1
1229 1 66 ASP QB 1 67 LEU H . . 4.030 3.662 3.459 3.952 . 0 0 "[ . 1 . 2]" 1
1230 1 66 ASP QB 1 71 LYS HA . . 4.900 3.158 2.700 3.518 . 0 0 "[ . 1 . 2]" 1
1231 1 67 LEU QB 1 67 LEU HG . . 2.470 2.208 2.163 2.489 0.019 9 0 "[ . 1 . 2]" 1
1232 1 67 LEU QB 1 68 TYR H . . 3.230 3.032 2.512 3.471 0.241 9 0 "[ . 1 . 2]" 1
1233 1 67 LEU QB 1 68 TYR HB2 . . 5.340 3.754 3.385 4.029 . 0 0 "[ . 1 . 2]" 1
1234 1 67 LEU QB 1 68 TYR QD . . 4.630 2.306 1.831 4.123 . 0 0 "[ . 1 . 2]" 1
1235 1 67 LEU QB 1 68 TYR QE . . 5.160 3.123 2.688 5.321 0.161 9 0 "[ . 1 . 2]" 1
1236 1 67 LEU QB 1 70 GLN QB . . 5.340 5.089 4.361 5.550 0.210 5 0 "[ . 1 . 2]" 1
1237 1 67 LEU QB 1 130 HIS HA . . 5.340 5.355 4.720 5.575 0.235 18 0 "[ . 1 . 2]" 1
1238 1 67 LEU QB 1 131 GLU HA . . 5.340 4.935 2.352 5.326 . 0 0 "[ . 1 . 2]" 1
1239 1 67 LEU QB 1 131 GLU QB . . 5.180 4.899 2.700 5.321 0.141 3 0 "[ . 1 . 2]" 1
1240 1 67 LEU QB 1 131 GLU QG . . 4.680 3.462 2.202 4.510 . 0 0 "[ . 1 . 2]" 1
1241 1 67 LEU HG 1 131 GLU QG . . 2.890 2.104 1.881 2.973 0.083 20 0 "[ . 1 . 2]" 1
1242 1 71 LYS H 1 71 LYS QB . . 3.200 2.828 2.381 3.089 . 0 0 "[ . 1 . 2]" 1
1243 1 71 LYS H 1 71 LYS QG . . 3.750 2.450 1.891 3.448 . 0 0 "[ . 1 . 2]" 1
1244 1 71 LYS QB 1 71 LYS QG . . 2.360 2.022 2.016 2.037 . 0 0 "[ . 1 . 2]" 1
1245 1 71 LYS QB 1 71 LYS QD . . 2.440 2.033 1.963 2.167 . 0 0 "[ . 1 . 2]" 1
1246 1 71 LYS QB 1 71 LYS QE . . 3.160 2.782 2.295 3.412 0.252 14 0 "[ . 1 . 2]" 1
1247 1 71 LYS QE 1 71 LYS QG . . 2.920 2.146 1.951 2.589 . 0 0 "[ . 1 . 2]" 1
1248 1 72 TYR QB 1 73 PHE H . . 3.140 2.644 2.257 2.917 . 0 0 "[ . 1 . 2]" 1
1249 1 74 ARG H 1 74 ARG QB . . 3.400 2.635 2.491 2.832 . 0 0 "[ . 1 . 2]" 1
1250 1 74 ARG H 1 74 ARG QD . . 4.640 3.844 2.808 4.847 0.207 10 0 "[ . 1 . 2]" 1
1251 1 74 ARG HA 1 74 ARG QD . . 3.990 3.122 2.175 4.045 0.055 15 0 "[ . 1 . 2]" 1
1252 1 74 ARG QB 1 74 ARG QD . . 3.150 2.129 1.964 2.311 . 0 0 "[ . 1 . 2]" 1
1253 1 74 ARG QB 1 75 ILE H . . 4.320 3.024 2.760 3.628 . 0 0 "[ . 1 . 2]" 1
1254 1 74 ARG QB 1 135 LEU QD . . 3.810 3.163 1.911 3.836 0.026 6 0 "[ . 1 . 2]" 1
1255 1 74 ARG QG 1 135 LEU QD . . 4.680 3.651 1.976 4.751 0.071 15 0 "[ . 1 . 2]" 1
1256 1 74 ARG QD 1 135 LEU QD . . 4.420 3.906 3.111 4.471 0.051 3 0 "[ . 1 . 2]" 1
1257 1 76 LEU HG 1 136 TRP QB . . 4.600 4.053 3.768 4.621 0.021 11 0 "[ . 1 . 2]" 1
1258 1 76 LEU QD 1 135 LEU QD . . 4.390 3.116 2.261 4.120 . 0 0 "[ . 1 . 2]" 1
1259 1 82 LEU H 1 82 LEU QB . . 3.680 2.434 2.077 2.931 . 0 0 "[ . 1 . 2]" 1
1260 1 82 LEU HA 1 82 LEU QD . . 3.610 3.027 1.931 3.427 . 0 0 "[ . 1 . 2]" 1
1261 1 82 LEU QB 1 82 LEU QD . . 2.390 1.866 1.761 1.970 . 0 0 "[ . 1 . 2]" 1
1262 1 83 SER HA 1 84 GLU QB . . 5.340 4.336 4.096 4.627 . 0 0 "[ . 1 . 2]" 1
1263 1 83 SER QB 1 85 LEU QD . . 3.770 3.476 2.756 3.787 0.017 7 0 "[ . 1 . 2]" 1
1264 1 84 GLU QB 1 85 LEU QB . . 5.050 4.436 3.724 5.054 0.004 10 0 "[ . 1 . 2]" 1
1265 1 84 GLU QB 1 85 LEU QD . . 3.520 2.805 1.907 3.527 0.007 2 0 "[ . 1 . 2]" 1
1266 1 85 LEU H 1 85 LEU QB . . 3.190 2.427 2.192 2.630 . 0 0 "[ . 1 . 2]" 1
1267 1 85 LEU H 1 85 LEU QD . . 3.250 2.229 1.867 3.047 . 0 0 "[ . 1 . 2]" 1
1268 1 85 LEU H 1 86 HIS QB . . 5.310 4.852 4.317 5.313 0.003 8 0 "[ . 1 . 2]" 1
1269 1 85 LEU HA 1 85 LEU QD . . 3.420 2.419 1.935 3.432 0.012 2 0 "[ . 1 . 2]" 1
1270 1 85 LEU QB 1 85 LEU QD . . 2.680 1.900 1.725 2.018 . 0 0 "[ . 1 . 2]" 1
1271 1 86 HIS QB 1 89 GLU QG . . 4.310 2.456 1.989 4.187 . 0 0 "[ . 1 . 2]" 1
1272 1 87 PRO HA 1 90 ARG QD . . 4.210 2.844 2.111 3.418 . 0 0 "[ . 1 . 2]" 1
1273 1 88 GLU H 1 88 GLU QB . . 2.840 2.097 2.040 2.223 . 0 0 "[ . 1 . 2]" 1
1274 1 88 GLU QB 1 89 GLU H . . 3.090 2.837 2.366 2.950 . 0 0 "[ . 1 . 2]" 1
1275 1 89 GLU H 1 89 GLU QG . . 3.140 2.393 1.957 3.270 0.130 16 0 "[ . 1 . 2]" 1
1276 1 89 GLU QG 1 90 ARG H . . 4.590 3.820 1.940 4.530 . 0 0 "[ . 1 . 2]" 1
1277 1 90 ARG H 1 90 ARG QD . . 4.240 3.609 2.581 4.209 . 0 0 "[ . 1 . 2]" 1
1278 1 90 ARG HA 1 90 ARG QD . . 4.500 3.642 2.781 4.126 . 0 0 "[ . 1 . 2]" 1
1279 1 91 LYS HA 1 95 GLU QG . . 5.080 4.673 4.449 4.750 . 0 0 "[ . 1 . 2]" 1
1280 1 92 LYS H 1 92 LYS QG . . 4.620 3.898 2.042 4.054 . 0 0 "[ . 1 . 2]" 1
1281 1 92 LYS H 1 95 GLU QG . . 4.750 4.460 4.353 4.549 . 0 0 "[ . 1 . 2]" 1
1282 1 92 LYS HA 1 92 LYS QG . . 3.060 2.515 2.181 2.914 . 0 0 "[ . 1 . 2]" 1
1283 1 92 LYS QE 1 92 LYS QG . . 2.420 2.228 2.115 2.403 . 0 0 "[ . 1 . 2]" 1
1284 1 92 LYS QG 1 93 VAL HA . . 5.050 3.814 3.369 5.591 0.541 14 1 "[ . 1 +. 2]" 1
1285 1 93 VAL MG1 1 96 LYS QE . . 5.230 4.994 4.659 5.233 0.003 5 0 "[ . 1 . 2]" 1
1286 1 94 ARG H 1 94 ARG QB . . 3.040 2.142 2.039 2.301 . 0 0 "[ . 1 . 2]" 1
1287 1 95 GLU H 1 95 GLU QG . . 3.150 2.025 1.890 2.180 . 0 0 "[ . 1 . 2]" 1
1288 1 95 GLU HA 1 95 GLU QG . . 3.620 3.356 3.334 3.435 . 0 0 "[ . 1 . 2]" 1
1289 1 95 GLU QG 1 96 LYS QB . . 3.840 3.200 3.060 3.568 . 0 0 "[ . 1 . 2]" 1
1290 1 95 GLU QG 1 97 PHE H . . 5.160 4.631 4.484 4.936 . 0 0 "[ . 1 . 2]" 1
1291 1 96 LYS H 1 96 LYS QD . . 4.420 4.381 4.086 4.478 0.058 15 0 "[ . 1 . 2]" 1
1292 1 96 LYS HA 1 96 LYS QE . . 3.640 3.377 2.843 3.622 . 0 0 "[ . 1 . 2]" 1
1293 1 96 LYS QB 1 96 LYS QE . . 3.180 2.107 1.975 2.283 . 0 0 "[ . 1 . 2]" 1
1294 1 96 LYS QE 1 96 LYS QG . . 3.220 2.371 2.184 2.762 . 0 0 "[ . 1 . 2]" 1
1295 1 98 ASP H 1 98 ASP QB . . 2.820 2.194 2.058 2.254 . 0 0 "[ . 1 . 2]" 1
1296 1 98 ASP QB 1 99 GLU H . . 3.260 2.483 2.314 2.629 . 0 0 "[ . 1 . 2]" 1
1297 1 98 ASP QB 1 99 GLU QG . . 3.600 3.343 3.093 3.797 0.197 19 0 "[ . 1 . 2]" 1
1298 1 99 GLU H 1 99 GLU QG . . 2.620 2.382 1.855 2.614 . 0 0 "[ . 1 . 2]" 1
1299 1 99 GLU HA 1 99 GLU QG . . 3.170 2.598 2.269 3.335 0.165 8 0 "[ . 1 . 2]" 1
1300 1 99 GLU QB 1 99 GLU QG . . 2.420 2.055 1.994 2.086 . 0 0 "[ . 1 . 2]" 1
1301 1 100 ASN QB 1 101 SER H . . 3.380 2.665 2.577 2.756 . 0 0 "[ . 1 . 2]" 1
1302 1 103 MET H 1 103 MET QG . . 3.110 2.531 2.212 2.720 . 0 0 "[ . 1 . 2]" 1
1303 1 103 MET HA 1 103 MET QG . . 3.110 2.576 2.254 2.819 . 0 0 "[ . 1 . 2]" 1
1304 1 106 SER QB 1 107 GLU QB . . 5.340 3.663 3.479 4.110 . 0 0 "[ . 1 . 2]" 1
1305 1 109 MET HA 1 113 HIS QB . . 4.400 4.127 3.846 4.420 0.020 2 0 "[ . 1 . 2]" 1
1306 1 109 MET HB2 1 113 HIS QB . . 5.310 5.247 5.005 5.407 0.097 20 0 "[ . 1 . 2]" 1
1307 1 109 MET HB3 1 113 HIS QB . . 3.920 3.793 3.564 3.938 0.018 2 0 "[ . 1 . 2]" 1
1308 1 111 LYS QB 1 115 LEU QD . . 4.030 3.535 2.331 4.072 0.042 15 0 "[ . 1 . 2]" 1
1309 1 111 LYS QG 1 115 LEU QB . . 3.970 3.487 2.494 4.098 0.128 20 0 "[ . 1 . 2]" 1
1310 1 111 LYS QG 1 115 LEU QD . . 3.830 2.362 1.815 3.179 . 0 0 "[ . 1 . 2]" 1
1311 1 112 TYR H 1 113 HIS QB . . 4.350 4.069 3.937 4.181 . 0 0 "[ . 1 . 2]" 1
1312 1 112 TYR HA 1 115 LEU QB . . 4.110 3.383 2.864 3.718 . 0 0 "[ . 1 . 2]" 1
1313 1 112 TYR QD 1 113 HIS QB . . 5.030 3.430 2.582 4.348 . 0 0 "[ . 1 . 2]" 1
1314 1 113 HIS H 1 113 HIS QB . . 2.830 2.248 2.142 2.348 . 0 0 "[ . 1 . 2]" 1
1315 1 113 HIS QB 1 114 ASP H . . 3.990 2.671 2.251 3.252 . 0 0 "[ . 1 . 2]" 1
1316 1 113 HIS QB 1 116 LYS QD . . 4.450 4.284 3.253 4.673 0.223 5 0 "[ . 1 . 2]" 1
1317 1 115 LEU H 1 115 LEU QB . . 2.980 2.162 2.031 2.427 . 0 0 "[ . 1 . 2]" 1
1318 1 115 LEU HA 1 115 LEU QD . . 3.240 1.989 1.886 2.178 . 0 0 "[ . 1 . 2]" 1
1319 1 115 LEU HA 1 116 LYS QE . . 5.340 5.128 3.636 5.898 0.558 20 1 "[ . 1 . +]" 1
1320 1 115 LEU QB 1 116 LYS HA . . 5.140 3.938 3.676 4.199 . 0 0 "[ . 1 . 2]" 1
1321 1 116 LYS H 1 116 LYS QE . . 3.390 3.106 1.984 3.460 0.070 18 0 "[ . 1 . 2]" 1
1322 1 116 LYS HA 1 116 LYS QE . . 4.090 3.995 2.235 4.445 0.355 15 0 "[ . 1 . 2]" 1
1323 1 116 LYS QB 1 116 LYS QE . . 3.240 2.643 1.817 3.074 . 0 0 "[ . 1 . 2]" 1
1324 1 116 LYS QE 1 116 LYS QG . . 3.020 2.155 1.951 2.672 . 0 0 "[ . 1 . 2]" 1
1325 1 116 LYS QE 1 117 LYS H . . 3.970 2.751 1.882 4.474 0.504 10 1 "[ . + . 2]" 1
1326 1 118 GLN H 1 118 GLN QB . . 2.910 2.596 2.230 2.957 0.047 5 0 "[ . 1 . 2]" 1
1327 1 119 GLY QA 1 120 LYS H . . 2.850 2.214 2.109 2.333 . 0 0 "[ . 1 . 2]" 1
1328 1 120 LYS H 1 120 LYS QB . . 3.630 2.883 2.251 3.298 . 0 0 "[ . 1 . 2]" 1
1329 1 120 LYS H 1 120 LYS QG . . 3.180 2.546 1.975 3.190 0.010 13 0 "[ . 1 . 2]" 1
1330 1 120 LYS H 1 120 LYS QD . . 4.420 3.455 2.082 4.424 0.004 13 0 "[ . 1 . 2]" 1
1331 1 120 LYS HA 1 120 LYS QG . . 3.550 3.172 2.500 3.439 . 0 0 "[ . 1 . 2]" 1
1332 1 120 LYS HA 1 120 LYS QD . . 4.090 3.479 1.999 4.119 0.029 6 0 "[ . 1 . 2]" 1
1333 1 120 LYS QB 1 120 LYS QD . . 2.770 2.119 1.932 2.318 . 0 0 "[ . 1 . 2]" 1
1334 1 120 LYS QB 1 120 LYS QE . . 4.220 3.524 2.849 3.739 . 0 0 "[ . 1 . 2]" 1
1335 1 120 LYS QB 1 121 ILE H . . 3.960 2.577 1.807 3.908 . 0 0 "[ . 1 . 2]" 1
1336 1 120 LYS QD 1 120 LYS QG . . 2.350 2.065 2.033 2.091 . 0 0 "[ . 1 . 2]" 1
1337 1 120 LYS QD 1 120 LYS QE . . 2.240 2.041 1.987 2.091 . 0 0 "[ . 1 . 2]" 1
1338 1 120 LYS QD 1 121 ILE HA . . 5.340 4.296 2.812 5.393 0.053 17 0 "[ . 1 . 2]" 1
1339 1 122 LYS H 1 122 LYS QB . . 3.220 2.667 2.476 2.772 . 0 0 "[ . 1 . 2]" 1
1340 1 122 LYS H 1 123 ASP QB . . 5.340 5.388 5.249 5.548 0.208 12 0 "[ . 1 . 2]" 1
1341 1 122 LYS QB 1 122 LYS QD . . 2.930 2.247 1.954 2.646 . 0 0 "[ . 1 . 2]" 1
1342 1 122 LYS QB 1 123 ASP H . . 3.260 2.837 2.409 2.940 . 0 0 "[ . 1 . 2]" 1
1343 1 123 ASP H 1 123 ASP QB . . 3.100 2.507 2.333 3.059 . 0 0 "[ . 1 . 2]" 1
1344 1 125 PRO QB 1 126 VAL H . . 3.270 3.070 2.851 3.237 . 0 0 "[ . 1 . 2]" 1
1345 1 125 PRO QD 1 126 VAL H . . 4.960 4.999 4.987 5.007 0.047 4 0 "[ . 1 . 2]" 1
1346 1 129 VAL HA 1 135 LEU QD . . 4.840 4.394 3.894 4.891 0.051 9 0 "[ . 1 . 2]" 1
1347 1 129 VAL MG1 1 135 LEU QD . . 3.260 2.638 2.167 3.117 . 0 0 "[ . 1 . 2]" 1
1348 1 129 VAL MG2 1 135 LEU QD . . 2.950 2.264 1.847 2.696 . 0 0 "[ . 1 . 2]" 1
1349 1 130 HIS HA 1 131 GLU QG . . 4.140 3.783 3.491 4.264 0.124 16 0 "[ . 1 . 2]" 1
1350 1 131 GLU H 1 131 GLU QG . . 3.250 2.371 1.883 2.961 . 0 0 "[ . 1 . 2]" 1
1351 1 131 GLU HA 1 131 GLU QG . . 3.040 2.536 2.128 3.306 0.266 20 0 "[ . 1 . 2]" 1
1352 1 131 GLU QB 1 131 GLU QG . . 2.320 2.047 2.018 2.085 . 0 0 "[ . 1 . 2]" 1
1353 1 132 GLU H 1 132 GLU QB . . 3.340 3.057 2.960 3.429 0.089 18 0 "[ . 1 . 2]" 1
1354 1 132 GLU H 1 132 GLU QG . . 4.960 3.998 2.636 4.529 . 0 0 "[ . 1 . 2]" 1
1355 1 132 GLU HA 1 132 GLU QG . . 2.760 2.154 2.010 2.607 . 0 0 "[ . 1 . 2]" 1
1356 1 132 GLU HA 1 133 TYR QB . . 4.780 4.583 4.041 4.821 0.041 11 0 "[ . 1 . 2]" 1
1357 1 132 GLU QB 1 133 TYR H . . 4.250 2.346 1.956 3.881 . 0 0 "[ . 1 . 2]" 1
1358 1 133 TYR H 1 133 TYR QB . . 3.500 2.659 2.233 3.059 . 0 0 "[ . 1 . 2]" 1
1359 1 134 ASP H 1 134 ASP QB . . 3.020 2.563 2.318 3.065 0.045 20 0 "[ . 1 . 2]" 1
1360 1 134 ASP QB 1 135 LEU H . . 4.020 2.325 1.957 2.984 . 0 0 "[ . 1 . 2]" 1
1361 1 134 ASP QB 1 135 LEU HA . . 4.690 4.023 3.645 4.508 . 0 0 "[ . 1 . 2]" 1
1362 1 134 ASP QB 1 135 LEU QD . . 3.770 2.815 1.891 3.805 0.035 15 0 "[ . 1 . 2]" 1
1363 1 135 LEU H 1 135 LEU QD . . 3.300 2.144 1.825 2.890 . 0 0 "[ . 1 . 2]" 1
1364 1 135 LEU HA 1 135 LEU QD . . 3.420 2.574 1.909 3.399 . 0 0 "[ . 1 . 2]" 1
1365 1 135 LEU QB 1 135 LEU QD . . 2.770 1.891 1.743 2.002 . 0 0 "[ . 1 . 2]" 1
1366 1 136 TRP H 1 136 TRP QB . . 3.050 2.258 2.141 2.419 . 0 0 "[ . 1 . 2]" 1
1367 1 136 TRP H 1 137 GLU QG . . 4.910 4.457 3.964 4.805 . 0 0 "[ . 1 . 2]" 1
1368 1 136 TRP QB 1 136 TRP HE1 . . 4.540 4.383 4.373 4.469 . 0 0 "[ . 1 . 2]" 1
1369 1 136 TRP QB 1 137 GLU H . . 3.940 2.684 2.498 3.016 . 0 0 "[ . 1 . 2]" 1
1370 1 137 GLU H 1 137 GLU QB . . 3.190 3.072 2.851 3.445 0.255 4 0 "[ . 1 . 2]" 1
1371 1 137 GLU H 1 137 GLU QG . . 3.220 2.954 2.650 3.315 0.095 11 0 "[ . 1 . 2]" 1
1372 1 137 GLU QB 1 138 ASP H . . 4.420 3.908 3.880 3.951 . 0 0 "[ . 1 . 2]" 1
1373 1 138 ASP H 1 139 PRO QG . . 3.840 3.527 3.496 3.606 . 0 0 "[ . 1 . 2]" 1
1374 1 139 PRO QB 1 140 ILE H . . 3.700 2.681 2.393 2.822 . 0 0 "[ . 1 . 2]" 1
1375 1 139 PRO QB 1 140 ILE MD . . 4.710 3.860 3.525 4.211 . 0 0 "[ . 1 . 2]" 1
1376 1 139 PRO QG 1 140 ILE H . . 3.620 1.812 1.671 1.911 . 0 0 "[ . 1 . 2]" 1
1377 1 139 PRO QG 1 140 ILE MG . . 4.440 2.389 2.068 3.530 . 0 0 "[ . 1 . 2]" 1
1378 1 143 TYR H 1 143 TYR QB . . 3.110 2.678 2.097 3.215 0.105 18 0 "[ . 1 . 2]" 1
1379 1 143 TYR QB 1 144 ILE H . . 4.020 2.558 1.907 3.603 . 0 0 "[ . 1 . 2]" 1
1380 1 143 TYR QB 1 144 ILE QG . . 4.450 3.307 2.618 4.364 . 0 0 "[ . 1 . 2]" 1
1381 1 143 TYR QB 1 144 ILE MD . . 4.690 4.151 2.569 4.780 0.090 18 0 "[ . 1 . 2]" 1
1382 1 144 ILE H 1 144 ILE QG . . 3.590 2.176 1.924 2.772 . 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 84
_Distance_constraint_stats_list.Viol_count 710
_Distance_constraint_stats_list.Viol_total 929.009
_Distance_constraint_stats_list.Viol_max 0.253
_Distance_constraint_stats_list.Viol_rms 0.0444
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0276
_Distance_constraint_stats_list.Viol_average_violations_only 0.0654
_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 29 ILE 2.671 0.162 11 0 "[ . 1 . 2]"
1 31 PHE 2.323 0.139 8 0 "[ . 1 . 2]"
1 33 THR 2.009 0.224 6 0 "[ . 1 . 2]"
1 38 ASP 1.042 0.124 13 0 "[ . 1 . 2]"
1 39 GLU 0.425 0.057 8 0 "[ . 1 . 2]"
1 40 SER 0.161 0.036 6 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 2.646 0.146 20 0 "[ . 1 . 2]"
1 43 GLN 0.425 0.057 8 0 "[ . 1 . 2]"
1 44 ALA 0.986 0.073 5 0 "[ . 1 . 2]"
1 45 LEU 0.755 0.122 18 0 "[ . 1 . 2]"
1 46 ALA 3.405 0.146 20 0 "[ . 1 . 2]"
1 47 GLY 0.304 0.064 2 0 "[ . 1 . 2]"
1 48 VAL 0.964 0.073 5 0 "[ . 1 . 2]"
1 49 THR 2.733 0.179 1 0 "[ . 1 . 2]"
1 50 ALA 1.802 0.131 17 0 "[ . 1 . 2]"
1 51 SER 0.304 0.064 2 0 "[ . 1 . 2]"
1 52 ASP 0.138 0.053 12 0 "[ . 1 . 2]"
1 53 PHE 1.978 0.179 1 0 "[ . 1 . 2]"
1 59 LYS 2.346 0.177 10 0 "[ . 1 . 2]"
1 61 ASN 2.761 0.200 18 0 "[ . 1 . 2]"
1 62 ILE 4.493 0.225 18 0 "[ . 1 . 2]"
1 63 PHE 4.796 0.168 18 0 "[ . 1 . 2]"
1 64 LEU 1.119 0.123 4 0 "[ . 1 . 2]"
1 65 VAL 0.854 0.155 14 0 "[ . 1 . 2]"
1 72 TYR 0.854 0.155 14 0 "[ . 1 . 2]"
1 73 PHE 2.009 0.224 6 0 "[ . 1 . 2]"
1 74 ARG 4.796 0.168 18 0 "[ . 1 . 2]"
1 75 ILE 2.323 0.139 8 0 "[ . 1 . 2]"
1 76 LEU 2.761 0.200 18 0 "[ . 1 . 2]"
1 77 PHE 2.671 0.162 11 0 "[ . 1 . 2]"
1 78 GLN 2.346 0.177 10 0 "[ . 1 . 2]"
1 89 GLU 0.083 0.030 9 0 "[ . 1 . 2]"
1 90 ARG 1.459 0.148 9 0 "[ . 1 . 2]"
1 91 LYS 1.351 0.093 19 0 "[ . 1 . 2]"
1 92 LYS 1.300 0.141 5 0 "[ . 1 . 2]"
1 93 VAL 0.109 0.030 9 0 "[ . 1 . 2]"
1 94 ARG 3.155 0.158 19 0 "[ . 1 . 2]"
1 95 GLU 1.567 0.093 19 0 "[ . 1 . 2]"
1 96 LYS 2.287 0.141 5 0 "[ . 1 . 2]"
1 97 PHE 1.136 0.089 10 0 "[ . 1 . 2]"
1 98 ASP 3.065 0.158 19 0 "[ . 1 . 2]"
1 99 GLU 2.645 0.168 15 0 "[ . 1 . 2]"
1 100 ASN 0.987 0.070 7 0 "[ . 1 . 2]"
1 101 SER 1.109 0.089 10 0 "[ . 1 . 2]"
1 102 ARG 1.369 0.123 8 0 "[ . 1 . 2]"
1 103 MET 2.429 0.168 15 0 "[ . 1 . 2]"
1 107 GLU 0.100 0.043 4 0 "[ . 1 . 2]"
1 109 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 THR 1.920 0.253 15 0 "[ . 1 . 2]"
1 111 LYS 0.100 0.043 4 0 "[ . 1 . 2]"
1 113 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ASP 1.920 0.253 15 0 "[ . 1 . 2]"
1 127 LYS 4.493 0.225 18 0 "[ . 1 . 2]"
1 129 VAL 1.119 0.123 4 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 29 ILE H 1 77 PHE O . . 2.000 1.873 1.777 2.073 0.073 9 0 "[ . 1 . 2]" 2
2 1 29 ILE N 1 77 PHE O . . 3.000 2.773 2.666 2.967 . 0 0 "[ . 1 . 2]" 2
3 1 29 ILE O 1 77 PHE H . . 2.000 2.121 2.074 2.162 0.162 11 0 "[ . 1 . 2]" 2
4 1 29 ILE O 1 77 PHE N . . 3.000 2.974 2.870 3.051 0.051 15 0 "[ . 1 . 2]" 2
5 1 31 PHE H 1 75 ILE O . . 2.000 2.075 1.989 2.139 0.139 8 0 "[ . 1 . 2]" 2
6 1 31 PHE N 1 75 ILE O . . 3.000 3.021 2.822 3.098 0.098 6 0 "[ . 1 . 2]" 2
7 1 31 PHE O 1 75 ILE H . . 2.000 1.903 1.780 2.050 0.050 3 0 "[ . 1 . 2]" 2
8 1 31 PHE O 1 75 ILE N . . 3.000 2.841 2.686 3.006 0.006 3 0 "[ . 1 . 2]" 2
9 1 33 THR H 1 73 PHE O . . 2.000 1.893 1.766 2.123 0.123 7 0 "[ . 1 . 2]" 2
10 1 33 THR N 1 73 PHE O . . 3.000 2.769 2.692 2.932 . 0 0 "[ . 1 . 2]" 2
11 1 33 THR O 1 73 PHE H . . 2.000 2.069 1.918 2.224 0.224 6 0 "[ . 1 . 2]" 2
12 1 33 THR O 1 73 PHE N . . 3.000 2.880 2.742 3.072 0.072 6 0 "[ . 1 . 2]" 2
13 1 59 LYS O 1 78 GLN H . . 2.000 1.871 1.765 2.056 0.056 12 0 "[ . 1 . 2]" 2
14 1 59 LYS O 1 78 GLN N . . 3.000 2.803 2.722 2.976 . 0 0 "[ . 1 . 2]" 2
15 1 59 LYS H 1 78 GLN O . . 2.000 2.110 2.028 2.177 0.177 10 0 "[ . 1 . 2]" 2
16 1 59 LYS N 1 78 GLN O . . 3.000 2.915 2.787 3.001 0.001 10 0 "[ . 1 . 2]" 2
17 1 61 ASN O 1 76 LEU H . . 2.000 2.003 1.804 2.116 0.116 19 0 "[ . 1 . 2]" 2
18 1 61 ASN O 1 76 LEU N . . 3.000 2.927 2.760 3.018 0.018 11 0 "[ . 1 . 2]" 2
19 1 61 ASN H 1 76 LEU O . . 2.000 2.099 1.991 2.200 0.200 18 0 "[ . 1 . 2]" 2
20 1 61 ASN N 1 76 LEU O . . 3.000 2.885 2.778 2.994 . 0 0 "[ . 1 . 2]" 2
21 1 63 PHE O 1 74 ARG H . . 2.000 2.090 2.019 2.168 0.168 18 0 "[ . 1 . 2]" 2
22 1 63 PHE O 1 74 ARG N . . 3.000 3.040 2.954 3.104 0.104 9 0 "[ . 1 . 2]" 2
23 1 63 PHE H 1 74 ARG O . . 2.000 2.076 2.033 2.159 0.159 9 0 "[ . 1 . 2]" 2
24 1 63 PHE N 1 74 ARG O . . 3.000 3.024 2.950 3.131 0.131 9 0 "[ . 1 . 2]" 2
25 1 65 VAL O 1 72 TYR H . . 2.000 1.883 1.789 2.018 0.018 10 0 "[ . 1 . 2]" 2
26 1 65 VAL O 1 72 TYR N . . 3.000 2.788 2.714 2.972 . 0 0 "[ . 1 . 2]" 2
27 1 65 VAL H 1 72 TYR O . . 2.000 1.994 1.823 2.155 0.155 14 0 "[ . 1 . 2]" 2
28 1 65 VAL N 1 72 TYR O . . 3.000 2.873 2.722 3.070 0.070 14 0 "[ . 1 . 2]" 2
29 1 64 LEU O 1 129 VAL H . . 2.000 2.047 1.899 2.123 0.123 4 0 "[ . 1 . 2]" 2
30 1 64 LEU O 1 129 VAL N . . 3.000 2.912 2.742 2.987 . 0 0 "[ . 1 . 2]" 2
31 1 64 LEU H 1 127 LYS O . . 2.000 1.834 1.792 1.893 . 0 0 "[ . 1 . 2]" 2
32 1 64 LEU N 1 127 LYS O . . 3.000 2.666 2.639 2.687 . 0 0 "[ . 1 . 2]" 2
33 1 62 ILE O 1 127 LYS H . . 2.000 2.140 2.096 2.225 0.225 18 0 "[ . 1 . 2]" 2
34 1 62 ILE O 1 127 LYS N . . 3.000 3.085 3.041 3.165 0.165 18 0 "[ . 1 . 2]" 2
35 1 38 ASP O 1 42 VAL H . . 2.000 2.022 1.847 2.124 0.124 13 0 "[ . 1 . 2]" 2
36 1 38 ASP O 1 42 VAL N . . 3.000 2.944 2.747 3.042 0.042 20 0 "[ . 1 . 2]" 2
37 1 39 GLU O 1 43 GLN H . . 2.000 1.976 1.795 2.057 0.057 8 0 "[ . 1 . 2]" 2
38 1 39 GLU O 1 43 GLN N . . 3.000 2.945 2.731 3.034 0.034 11 0 "[ . 1 . 2]" 2
39 1 40 SER O 1 44 ALA H . . 2.000 1.972 1.828 2.036 0.036 6 0 "[ . 1 . 2]" 2
40 1 40 SER O 1 44 ALA N . . 3.000 2.816 2.743 2.917 . 0 0 "[ . 1 . 2]" 2
41 1 41 LEU O 1 45 LEU H . . 2.000 1.791 1.750 1.910 . 0 0 "[ . 1 . 2]" 2
42 1 41 LEU O 1 45 LEU N . . 3.000 2.737 2.695 2.852 . 0 0 "[ . 1 . 2]" 2
43 1 42 VAL O 1 46 ALA H . . 2.000 2.079 2.023 2.146 0.146 20 0 "[ . 1 . 2]" 2
44 1 42 VAL O 1 46 ALA N . . 3.000 2.937 2.853 3.009 0.009 16 0 "[ . 1 . 2]" 2
45 1 44 ALA O 1 48 VAL H . . 2.000 2.022 1.846 2.073 0.073 5 0 "[ . 1 . 2]" 2
46 1 44 ALA O 1 48 VAL N . . 3.000 2.976 2.770 3.039 0.039 15 0 "[ . 1 . 2]" 2
47 1 45 LEU O 1 49 THR H . . 2.000 1.995 1.800 2.122 0.122 18 0 "[ . 1 . 2]" 2
48 1 45 LEU O 1 49 THR N . . 3.000 2.912 2.712 3.026 0.026 12 0 "[ . 1 . 2]" 2
49 1 46 ALA O 1 50 ALA H . . 2.000 2.071 2.004 2.131 0.131 17 0 "[ . 1 . 2]" 2
50 1 46 ALA O 1 50 ALA N . . 3.000 3.008 2.929 3.042 0.042 12 0 "[ . 1 . 2]" 2
51 1 47 GLY O 1 51 SER H . . 2.000 1.966 1.791 2.064 0.064 2 0 "[ . 1 . 2]" 2
52 1 47 GLY O 1 51 SER N . . 3.000 2.833 2.701 2.997 . 0 0 "[ . 1 . 2]" 2
53 1 48 VAL O 1 52 ASP H . . 2.000 1.946 1.858 2.053 0.053 12 0 "[ . 1 . 2]" 2
54 1 48 VAL O 1 52 ASP N . . 3.000 2.787 2.709 3.004 0.004 12 0 "[ . 1 . 2]" 2
55 1 49 THR O 1 53 PHE H . . 2.000 2.087 1.776 2.179 0.179 1 0 "[ . 1 . 2]" 2
56 1 49 THR O 1 53 PHE N . . 3.000 2.782 2.670 2.889 . 0 0 "[ . 1 . 2]" 2
57 1 89 GLU O 1 93 VAL H . . 2.000 1.916 1.785 2.030 0.030 9 0 "[ . 1 . 2]" 2
58 1 89 GLU O 1 93 VAL N . . 3.000 2.891 2.764 3.004 0.004 9 0 "[ . 1 . 2]" 2
59 1 90 ARG O 1 94 ARG H . . 2.000 2.065 1.871 2.148 0.148 9 0 "[ . 1 . 2]" 2
60 1 90 ARG O 1 94 ARG N . . 3.000 2.936 2.733 3.021 0.021 9 0 "[ . 1 . 2]" 2
61 1 91 LYS O 1 95 GLU H . . 2.000 2.049 2.016 2.093 0.093 19 0 "[ . 1 . 2]" 2
62 1 91 LYS O 1 95 GLU N . . 3.000 3.018 2.988 3.060 0.060 19 0 "[ . 1 . 2]" 2
63 1 92 LYS O 1 96 LYS H . . 2.000 2.042 1.853 2.141 0.141 5 0 "[ . 1 . 2]" 2
64 1 92 LYS O 1 96 LYS N . . 3.000 2.936 2.733 3.043 0.043 8 0 "[ . 1 . 2]" 2
65 1 93 VAL O 1 97 PHE H . . 2.000 1.866 1.767 2.026 0.026 14 0 "[ . 1 . 2]" 2
66 1 93 VAL O 1 97 PHE N . . 3.000 2.835 2.736 2.983 . 0 0 "[ . 1 . 2]" 2
67 1 94 ARG O 1 98 ASP H . . 2.000 2.085 2.030 2.158 0.158 19 0 "[ . 1 . 2]" 2
68 1 94 ARG O 1 98 ASP N . . 3.000 2.931 2.881 2.983 . 0 0 "[ . 1 . 2]" 2
69 1 95 GLU O 1 99 GLU H . . 2.000 1.942 1.793 2.066 0.066 19 0 "[ . 1 . 2]" 2
70 1 95 GLU O 1 99 GLU N . . 3.000 2.900 2.745 3.030 0.030 19 0 "[ . 1 . 2]" 2
71 1 96 LYS O 1 100 ASN H . . 2.000 2.045 2.023 2.070 0.070 7 0 "[ . 1 . 2]" 2
72 1 96 LYS O 1 100 ASN N . . 3.000 2.988 2.945 3.023 0.023 1 0 "[ . 1 . 2]" 2
73 1 97 PHE O 1 101 SER H . . 2.000 2.055 1.987 2.089 0.089 10 0 "[ . 1 . 2]" 2
74 1 97 PHE O 1 101 SER N . . 3.000 2.921 2.844 2.962 . 0 0 "[ . 1 . 2]" 2
75 1 98 ASP O 1 102 ARG H . . 2.000 2.065 2.020 2.123 0.123 8 0 "[ . 1 . 2]" 2
76 1 98 ASP O 1 102 ARG N . . 3.000 2.975 2.927 3.035 0.035 19 0 "[ . 1 . 2]" 2
77 1 99 GLU O 1 103 MET H . . 2.000 2.121 2.106 2.168 0.168 15 0 "[ . 1 . 2]" 2
78 1 99 GLU O 1 103 MET N . . 3.000 2.705 2.684 2.780 . 0 0 "[ . 1 . 2]" 2
79 1 107 GLU O 1 111 LYS H . . 2.000 1.868 1.763 2.043 0.043 4 0 "[ . 1 . 2]" 2
80 1 107 GLU O 1 111 LYS N . . 3.000 2.816 2.718 3.012 0.012 4 0 "[ . 1 . 2]" 2
81 1 109 MET O 1 113 HIS H . . 2.000 1.809 1.734 1.902 . 0 0 "[ . 1 . 2]" 2
82 1 109 MET O 1 113 HIS N . . 3.000 2.722 2.697 2.741 . 0 0 "[ . 1 . 2]" 2
83 1 110 THR O 1 114 ASP H . . 2.000 2.014 1.782 2.253 0.253 15 0 "[ . 1 . 2]" 2
84 1 110 THR O 1 114 ASP N . . 3.000 2.634 2.516 2.696 . 0 0 "[ . 1 . 2]" 2
stop_
save_