NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
634473 |
6gvq   |
34290 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6gvq
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 2254
_Distance_constraint_stats_list.Viol_count 5553
_Distance_constraint_stats_list.Viol_total 7402.534
_Distance_constraint_stats_list.Viol_max 1.842
_Distance_constraint_stats_list.Viol_rms 0.0479
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0667
_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 1 DC 3.716 0.154 13 0 "[ . 1 . 2]"
1 2 DT 6.233 0.171 11 0 "[ . 1 . 2]"
1 3 DG 12.100 0.382 10 0 "[ . 1 . 2]"
1 4 DT 5.293 0.224 11 0 "[ . 1 . 2]"
1 5 DG 47.896 1.842 19 20 [***********-******+*]
1 6 DC 6.479 0.252 15 0 "[ . 1 . 2]"
1 7 DT 8.380 0.252 15 0 "[ . 1 . 2]"
1 8 DC 7.489 0.195 2 0 "[ . 1 . 2]"
1 9 DA 5.480 0.195 2 0 "[ . 1 . 2]"
2 1 THR 0.105 0.105 2 0 "[ . 1 . 2]"
2 2 VAL 2.543 0.278 19 0 "[ . 1 . 2]"
2 3 VAL 4.497 0.278 19 0 "[ . 1 . 2]"
2 4 GLU 4.960 0.200 13 0 "[ . 1 . 2]"
2 5 PHE 7.748 0.137 12 0 "[ . 1 . 2]"
2 6 GLU 5.177 0.182 4 0 "[ . 1 . 2]"
2 7 GLU 3.018 0.200 13 0 "[ . 1 . 2]"
2 8 LEU 6.171 0.142 5 0 "[ . 1 . 2]"
2 9 ARG 5.275 0.156 5 0 "[ . 1 . 2]"
2 10 LYS 4.105 0.128 7 0 "[ . 1 . 2]"
2 11 GLU 2.088 0.132 13 0 "[ . 1 . 2]"
2 12 LEU 4.710 0.127 11 0 "[ . 1 . 2]"
2 13 VAL 3.620 0.128 7 0 "[ . 1 . 2]"
2 14 LYS 9.027 0.180 5 0 "[ . 1 . 2]"
2 15 ARG 6.676 0.239 5 0 "[ . 1 . 2]"
2 16 ASP 5.629 0.187 4 0 "[ . 1 . 2]"
2 17 SER 0.293 0.102 13 0 "[ . 1 . 2]"
2 18 GLY 2.558 0.157 1 0 "[ . 1 . 2]"
2 19 LYS 5.198 0.157 1 0 "[ . 1 . 2]"
2 20 PRO 3.368 0.102 16 0 "[ . 1 . 2]"
2 21 VAL 4.939 0.136 13 0 "[ . 1 . 2]"
2 22 GLU 2.760 0.064 10 0 "[ . 1 . 2]"
2 23 LYS 11.332 0.136 13 0 "[ . 1 . 2]"
2 24 ILE 7.290 0.130 20 0 "[ . 1 . 2]"
2 25 LYS 9.032 0.187 20 0 "[ . 1 . 2]"
2 26 GLU 7.212 0.140 12 0 "[ . 1 . 2]"
2 27 GLU 6.077 0.183 13 0 "[ . 1 . 2]"
2 28 ILE 4.701 0.130 6 0 "[ . 1 . 2]"
2 29 CYS 2.280 0.224 19 0 "[ . 1 . 2]"
2 30 THR 0.780 0.092 5 0 "[ . 1 . 2]"
2 31 LYS 2.807 0.224 19 0 "[ . 1 . 2]"
2 32 SER 0.348 0.063 15 0 "[ . 1 . 2]"
2 37 ILE 3.037 0.135 15 0 "[ . 1 . 2]"
2 39 GLU 1.638 0.164 8 0 "[ . 1 . 2]"
2 40 ILE 9.513 0.164 8 0 "[ . 1 . 2]"
2 41 ILE 6.653 0.111 10 0 "[ . 1 . 2]"
2 42 CYS 5.132 0.130 6 0 "[ . 1 . 2]"
2 43 GLU 1.537 0.142 18 0 "[ . 1 . 2]"
2 44 ASN 2.602 0.112 16 0 "[ . 1 . 2]"
2 45 LYS 8.927 0.275 18 0 "[ . 1 . 2]"
2 46 THR 13.509 0.275 18 0 "[ . 1 . 2]"
2 47 TYR 3.207 0.215 12 0 "[ . 1 . 2]"
2 48 ALA 3.611 0.169 18 0 "[ . 1 . 2]"
2 49 ASP 4.052 0.210 1 0 "[ . 1 . 2]"
2 50 VAL 4.294 0.153 5 0 "[ . 1 . 2]"
2 51 ASN 5.088 0.246 1 0 "[ . 1 . 2]"
2 52 ILE 4.241 0.179 4 0 "[ . 1 . 2]"
2 53 ASP 1.997 0.214 15 0 "[ . 1 . 2]"
2 54 ARG 2.941 0.214 15 0 "[ . 1 . 2]"
2 55 SER 10.396 1.383 13 5 "[ .* - * + * 2]"
2 56 ARG 4.715 0.337 13 0 "[ . 1 . 2]"
2 57 GLY 3.594 0.177 13 0 "[ . 1 . 2]"
2 58 ASP 32.215 1.842 19 20 [**********-*******+*]
2 59 TRP 10.553 0.173 8 0 "[ . 1 . 2]"
2 60 HIS 7.013 0.337 13 0 "[ . 1 . 2]"
2 61 VAL 4.239 0.114 4 0 "[ . 1 . 2]"
2 62 ILE 2.967 0.114 4 0 "[ . 1 . 2]"
2 63 LEU 3.487 0.136 18 0 "[ . 1 . 2]"
2 64 TYR 5.466 0.135 15 0 "[ . 1 . 2]"
2 65 LEU 7.914 0.133 18 0 "[ . 1 . 2]"
2 66 MET 2.546 0.133 18 0 "[ . 1 . 2]"
2 67 LYS 5.354 0.170 11 0 "[ . 1 . 2]"
2 68 HIS 2.190 0.105 11 0 "[ . 1 . 2]"
2 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 70 VAL 3.384 0.145 20 0 "[ . 1 . 2]"
2 71 THR 7.192 0.187 4 0 "[ . 1 . 2]"
2 72 ASP 2.446 0.145 20 0 "[ . 1 . 2]"
2 73 PRO 7.048 0.223 15 0 "[ . 1 . 2]"
2 74 ASP 1.560 0.223 15 0 "[ . 1 . 2]"
2 75 LYS 1.812 0.174 20 0 "[ . 1 . 2]"
2 76 ILE 1.259 0.058 7 0 "[ . 1 . 2]"
2 77 LEU 9.690 0.416 17 0 "[ . 1 . 2]"
2 78 GLU 2.203 0.098 16 0 "[ . 1 . 2]"
2 79 LEU 2.603 0.187 20 0 "[ . 1 . 2]"
2 80 LEU 2.392 0.180 14 0 "[ . 1 . 2]"
2 81 PRO 0.066 0.041 13 0 "[ . 1 . 2]"
2 82 ARG 2.558 0.213 9 0 "[ . 1 . 2]"
2 83 ASP 4.630 0.215 12 0 "[ . 1 . 2]"
2 84 SER 2.766 0.113 8 0 "[ . 1 . 2]"
2 85 LYS 0.941 0.081 7 0 "[ . 1 . 2]"
2 86 ALA 5.757 0.156 14 0 "[ . 1 . 2]"
2 87 LYS 1.844 0.135 7 0 "[ . 1 . 2]"
2 88 GLU 0.393 0.113 8 0 "[ . 1 . 2]"
2 89 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 92 TRP 5.288 0.171 11 0 "[ . 1 . 2]"
2 94 THR 6.350 0.136 6 0 "[ . 1 . 2]"
2 95 GLN 3.118 0.136 6 0 "[ . 1 . 2]"
2 96 LYS 3.116 0.121 10 0 "[ . 1 . 2]"
2 97 TYR 21.209 1.383 13 8 "[ .* * * -+** *2]"
2 98 PHE 21.093 0.416 17 0 "[ . 1 . 2]"
2 99 VAL 4.169 0.137 14 0 "[ . 1 . 2]"
2 100 ILE 4.185 0.104 6 0 "[ . 1 . 2]"
2 101 THR 8.633 0.382 20 0 "[ . 1 . 2]"
2 102 LEU 6.002 0.158 11 0 "[ . 1 . 2]"
2 103 SER 1.784 0.300 11 0 "[ . 1 . 2]"
2 104 LYS 4.689 0.300 11 0 "[ . 1 . 2]"
2 105 ALA 4.373 0.157 11 0 "[ . 1 . 2]"
2 106 TRP 23.307 0.239 5 0 "[ . 1 . 2]"
2 107 SER 3.301 0.110 2 0 "[ . 1 . 2]"
2 108 VAL 7.773 0.157 11 0 "[ . 1 . 2]"
2 109 VAL 6.811 0.216 19 0 "[ . 1 . 2]"
2 110 LYS 10.045 0.162 6 0 "[ . 1 . 2]"
2 111 LYS 7.188 0.216 19 0 "[ . 1 . 2]"
2 112 TYR 13.032 0.175 11 0 "[ . 1 . 2]"
2 113 LEU 19.326 1.330 12 11 "[ - ** **+**** *]"
2 114 GLU 2.300 0.095 6 0 "[ . 1 . 2]"
2 115 ALA 13.062 1.330 12 11 "[ - ** **+**** *]"
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 2 54 ARG H 2 56 ARG H . . 5.380 4.376 4.191 4.540 . 0 0 "[ . 1 . 2]" 1
2 2 55 SER H 2 56 ARG H . . 3.990 2.611 2.547 2.732 . 0 0 "[ . 1 . 2]" 1
3 2 56 ARG H 2 57 GLY H . . 3.450 2.391 2.354 2.427 . 0 0 "[ . 1 . 2]" 1
4 2 55 SER QB 2 56 ARG H . . 5.040 3.145 2.439 3.504 . 0 0 "[ . 1 . 2]" 1
5 2 56 ARG H 2 56 ARG HD3 . . 5.060 4.837 3.001 5.102 0.042 20 0 "[ . 1 . 2]" 1
6 2 56 ARG H 2 59 TRP QB . . 5.210 4.522 4.442 4.674 . 0 0 "[ . 1 . 2]" 1
7 2 56 ARG H 2 56 ARG HD2 . . 5.060 4.907 4.529 4.996 . 0 0 "[ . 1 . 2]" 1
8 2 56 ARG H 2 57 GLY HA3 . . 5.500 4.688 4.651 4.731 . 0 0 "[ . 1 . 2]" 1
9 2 56 ARG H 2 56 ARG HB2 . . 3.460 2.327 2.106 2.425 . 0 0 "[ . 1 . 2]" 1
10 2 56 ARG H 2 56 ARG HB3 . . 3.870 3.578 3.384 3.619 . 0 0 "[ . 1 . 2]" 1
11 2 52 ILE MG 2 56 ARG H . . 4.950 4.103 3.989 4.230 . 0 0 "[ . 1 . 2]" 1
12 2 52 ILE MD 2 56 ARG H . . 5.050 4.424 4.262 4.646 . 0 0 "[ . 1 . 2]" 1
13 2 59 TRP HE1 2 60 HIS HA . . 4.990 4.787 4.523 4.927 . 0 0 "[ . 1 . 2]" 1
14 2 59 TRP HE1 2 108 VAL QG . . 4.100 4.116 4.017 4.195 0.095 16 0 "[ . 1 . 2]" 1
15 2 8 LEU HA 2 106 TRP HE1 . . 5.210 5.045 4.963 5.173 . 0 0 "[ . 1 . 2]" 1
16 2 106 TRP HE1 2 107 SER HA . . 5.500 5.527 5.346 5.590 0.090 5 0 "[ . 1 . 2]" 1
17 2 11 GLU HA 2 106 TRP HE1 . . 5.450 5.112 5.011 5.231 . 0 0 "[ . 1 . 2]" 1
18 2 106 TRP HE1 2 110 LYS QE . . 3.980 3.164 2.738 3.728 . 0 0 "[ . 1 . 2]" 1
19 2 11 GLU HG3 2 106 TRP HE1 . . 4.070 2.678 2.414 2.842 . 0 0 "[ . 1 . 2]" 1
20 2 11 GLU QB 2 106 TRP HE1 . . 3.930 2.765 2.604 3.088 . 0 0 "[ . 1 . 2]" 1
21 2 106 TRP HE1 2 110 LYS QD . . 3.200 2.914 2.679 3.049 . 0 0 "[ . 1 . 2]" 1
22 2 8 LEU QD 2 106 TRP HE1 . . 3.860 3.523 3.452 3.577 . 0 0 "[ . 1 . 2]" 1
23 2 106 TRP HE1 2 110 LYS QB . . 4.350 4.132 3.932 4.240 . 0 0 "[ . 1 . 2]" 1
24 2 12 LEU H 2 106 TRP HE1 . . 5.340 5.202 5.077 5.269 . 0 0 "[ . 1 . 2]" 1
25 2 12 LEU QD 2 106 TRP HE1 . . 3.930 3.535 3.464 3.610 . 0 0 "[ . 1 . 2]" 1
26 2 98 PHE H 2 98 PHE HD1 . . 4.420 4.313 4.276 4.332 . 0 0 "[ . 1 . 2]" 1
27 2 94 THR HB 2 98 PHE H . . 4.490 4.502 4.407 4.555 0.065 19 0 "[ . 1 . 2]" 1
28 2 96 LYS HA 2 98 PHE H . . 5.500 4.401 4.327 4.516 . 0 0 "[ . 1 . 2]" 1
29 2 98 PHE H 2 99 VAL HA . . 5.500 5.415 5.383 5.433 . 0 0 "[ . 1 . 2]" 1
30 2 98 PHE H 2 98 PHE HB3 . . 3.530 2.278 2.250 2.300 . 0 0 "[ . 1 . 2]" 1
31 2 96 LYS QG 2 98 PHE H . . 5.500 4.673 4.582 4.772 . 0 0 "[ . 1 . 2]" 1
32 2 103 SER H 2 105 ALA H . . 4.890 4.144 4.017 4.281 . 0 0 "[ . 1 . 2]" 1
33 2 102 LEU QD 2 105 ALA H . . 5.100 4.280 4.198 4.354 . 0 0 "[ . 1 . 2]" 1
34 2 104 LYS H 2 105 ALA H . . 3.320 2.583 2.496 2.645 . 0 0 "[ . 1 . 2]" 1
35 2 59 TRP HZ3 2 105 ALA H . . 3.430 2.518 2.420 2.637 . 0 0 "[ . 1 . 2]" 1
36 2 102 LEU HA 2 105 ALA H . . 4.180 3.347 3.211 3.478 . 0 0 "[ . 1 . 2]" 1
37 2 104 LYS QB 2 105 ALA H . . 3.260 2.555 2.382 2.830 . 0 0 "[ . 1 . 2]" 1
38 2 105 ALA H 2 108 VAL QG . . 4.460 4.522 4.409 4.617 0.157 11 0 "[ . 1 . 2]" 1
39 2 105 ALA H 2 105 ALA MB . . 2.770 2.215 2.194 2.234 . 0 0 "[ . 1 . 2]" 1
40 2 62 ILE MG 2 105 ALA H . . 5.210 4.680 4.597 4.772 . 0 0 "[ . 1 . 2]" 1
41 2 63 LEU MD2 2 105 ALA H . . 5.020 4.596 4.482 4.769 . 0 0 "[ . 1 . 2]" 1
42 2 17 SER H 2 70 VAL H . . 5.170 4.866 4.760 4.973 . 0 0 "[ . 1 . 2]" 1
43 2 66 MET HA 2 70 VAL H . . 3.730 3.683 3.508 3.756 0.026 17 0 "[ . 1 . 2]" 1
44 2 68 HIS HB2 2 70 VAL H . . 4.450 3.330 3.148 3.672 . 0 0 "[ . 1 . 2]" 1
45 2 70 VAL H 2 70 VAL HB . . 3.880 3.656 2.825 3.830 . 0 0 "[ . 1 . 2]" 1
46 2 104 LYS QE 2 105 ALA H . . 4.960 4.937 4.561 5.108 0.148 20 0 "[ . 1 . 2]" 1
47 2 105 ALA H 2 108 VAL H . . 4.840 4.884 4.854 4.925 0.085 17 0 "[ . 1 . 2]" 1
48 2 53 ASP H 2 54 ARG H . . 4.660 4.653 4.632 4.676 0.016 18 0 "[ . 1 . 2]" 1
49 2 53 ASP H 2 57 GLY H . . 5.040 4.760 4.419 4.916 . 0 0 "[ . 1 . 2]" 1
50 2 52 ILE HA 2 53 ASP H . . 2.970 2.458 2.412 2.555 . 0 0 "[ . 1 . 2]" 1
51 2 53 ASP H 2 56 ARG HB2 . . 5.310 3.490 3.251 3.894 . 0 0 "[ . 1 . 2]" 1
52 2 52 ILE HB 2 53 ASP H . . 4.050 3.989 3.957 4.030 . 0 0 "[ . 1 . 2]" 1
53 2 50 VAL MG2 2 53 ASP H . . 5.390 5.219 5.168 5.275 . 0 0 "[ . 1 . 2]" 1
54 2 52 ILE MG 2 53 ASP H . . 3.540 3.247 3.007 3.355 . 0 0 "[ . 1 . 2]" 1
55 2 52 ILE MD 2 53 ASP H . . 3.810 3.717 3.663 3.771 . 0 0 "[ . 1 . 2]" 1
56 2 6 GLU H 2 8 LEU H . . 4.310 3.915 3.832 3.970 . 0 0 "[ . 1 . 2]" 1
57 2 8 LEU H 2 11 GLU H . . 5.190 4.966 4.907 5.016 . 0 0 "[ . 1 . 2]" 1
58 2 5 PHE HA 2 8 LEU H . . 3.550 3.340 3.299 3.421 . 0 0 "[ . 1 . 2]" 1
59 2 4 GLU HA 2 8 LEU H . . 4.640 4.008 3.899 4.072 . 0 0 "[ . 1 . 2]" 1
60 2 6 GLU HA 2 8 LEU H . . 4.640 4.448 4.357 4.563 . 0 0 "[ . 1 . 2]" 1
61 2 6 GLU QG 2 8 LEU H . . 5.070 5.124 5.080 5.155 0.085 11 0 "[ . 1 . 2]" 1
62 2 7 GLU QB 2 8 LEU H . . 3.940 2.744 2.716 2.786 . 0 0 "[ . 1 . 2]" 1
63 2 8 LEU H 2 8 LEU HB3 . . 3.120 2.451 2.433 2.479 . 0 0 "[ . 1 . 2]" 1
64 2 8 LEU H 2 9 ARG HG3 . . 4.580 4.161 4.062 4.288 . 0 0 "[ . 1 . 2]" 1
65 2 8 LEU H 2 8 LEU QD . . 4.610 3.711 3.703 3.718 . 0 0 "[ . 1 . 2]" 1
66 2 47 TYR H 2 47 TYR HD2 . . 4.770 4.340 4.113 4.584 . 0 0 "[ . 1 . 2]" 1
67 2 46 THR HB 2 47 TYR H . . 4.260 4.135 4.038 4.177 . 0 0 "[ . 1 . 2]" 1
68 2 47 TYR H 2 48 ALA HA . . 4.810 4.369 4.310 4.421 . 0 0 "[ . 1 . 2]" 1
69 2 46 THR MG 2 47 TYR H . . 3.580 2.031 1.956 2.314 . 0 0 "[ . 1 . 2]" 1
70 2 40 ILE MD 2 47 TYR H . . 4.310 3.436 3.262 3.529 . 0 0 "[ . 1 . 2]" 1
71 2 46 THR H 2 47 TYR H . . 5.290 1.768 1.731 1.826 . 0 0 "[ . 1 . 2]" 1
72 2 40 ILE MG 2 47 TYR H . . 5.500 4.875 4.712 5.016 . 0 0 "[ . 1 . 2]" 1
73 2 45 LYS HB2 2 47 TYR H . . 5.500 4.872 4.725 5.063 . 0 0 "[ . 1 . 2]" 1
74 2 21 VAL H 2 23 LYS H . . 4.230 4.341 4.292 4.366 0.136 13 0 "[ . 1 . 2]" 1
75 2 20 PRO HA 2 21 VAL H . . 2.760 2.362 2.334 2.406 . 0 0 "[ . 1 . 2]" 1
76 2 21 VAL H 2 75 LYS HA . . 5.500 5.104 4.608 5.614 0.114 20 0 "[ . 1 . 2]" 1
77 2 20 PRO HB2 2 21 VAL H . . 3.280 2.858 2.787 2.909 . 0 0 "[ . 1 . 2]" 1
78 2 21 VAL H 2 22 GLU QG . . 4.430 4.121 4.074 4.174 . 0 0 "[ . 1 . 2]" 1
79 2 21 VAL H 2 21 VAL HB . . 2.650 2.305 2.278 2.343 . 0 0 "[ . 1 . 2]" 1
80 2 21 VAL H 2 24 ILE MD . . 3.680 3.766 3.735 3.810 0.130 20 0 "[ . 1 . 2]" 1
81 2 59 TRP HZ3 2 104 LYS H . . 4.170 4.046 3.912 4.115 . 0 0 "[ . 1 . 2]" 1
82 2 104 LYS H 2 105 ALA HA . . 5.500 5.208 5.123 5.260 . 0 0 "[ . 1 . 2]" 1
83 2 104 LYS H 2 104 LYS QB . . 3.200 2.320 2.128 2.381 . 0 0 "[ . 1 . 2]" 1
84 2 104 LYS H 2 105 ALA MB . . 4.510 4.260 4.208 4.306 . 0 0 "[ . 1 . 2]" 1
85 2 29 CYS H 2 31 LYS H . . 4.210 4.063 3.949 4.229 0.019 15 0 "[ . 1 . 2]" 1
86 2 31 LYS H 2 32 SER H . . 4.540 4.554 4.496 4.603 0.063 15 0 "[ . 1 . 2]" 1
87 2 30 THR HA 2 31 LYS H . . 3.470 3.417 3.280 3.461 . 0 0 "[ . 1 . 2]" 1
88 2 29 CYS HA 2 31 LYS H . . 4.090 3.877 3.625 4.314 0.224 19 0 "[ . 1 . 2]" 1
89 2 28 ILE HA 2 31 LYS H . . 3.640 3.537 2.996 3.661 0.021 10 0 "[ . 1 . 2]" 1
90 2 29 CYS QB 2 31 LYS H . . 4.770 4.746 4.671 4.888 0.118 15 0 "[ . 1 . 2]" 1
91 2 31 LYS H 2 31 LYS HG2 . . 3.960 3.743 2.287 4.035 0.075 19 0 "[ . 1 . 2]" 1
92 2 31 LYS H 2 31 LYS HG3 . . 3.960 2.663 2.432 3.621 . 0 0 "[ . 1 . 2]" 1
93 2 30 THR MG 2 31 LYS H . . 3.700 2.732 2.576 3.065 . 0 0 "[ . 1 . 2]" 1
94 2 28 ILE MG 2 31 LYS H . . 4.400 4.397 4.238 4.483 0.083 7 0 "[ . 1 . 2]" 1
95 2 4 GLU H 2 5 PHE H . . 4.160 2.453 2.417 2.505 . 0 0 "[ . 1 . 2]" 1
96 2 5 PHE H 2 8 LEU H . . 5.490 4.679 4.640 4.729 . 0 0 "[ . 1 . 2]" 1
97 2 5 PHE H 2 98 PHE HE1 . . 5.150 5.194 5.105 5.246 0.096 12 0 "[ . 1 . 2]" 1
98 2 2 VAL HA 2 5 PHE H . . 4.130 3.267 3.058 3.483 . 0 0 "[ . 1 . 2]" 1
99 2 5 PHE H 2 5 PHE HB2 . . 3.560 3.021 2.993 3.048 . 0 0 "[ . 1 . 2]" 1
100 2 4 GLU QG 2 5 PHE H . . 4.340 4.212 3.966 4.477 0.137 12 0 "[ . 1 . 2]" 1
101 2 4 GLU QB 2 5 PHE H . . 3.590 2.672 2.604 2.713 . 0 0 "[ . 1 . 2]" 1
102 2 5 PHE H 2 6 GLU HB3 . . 4.870 4.754 4.700 4.793 . 0 0 "[ . 1 . 2]" 1
103 2 2 VAL QG 2 5 PHE H . . 4.860 4.223 4.043 4.430 . 0 0 "[ . 1 . 2]" 1
104 2 5 PHE H 2 99 VAL QG . . 4.590 2.852 2.703 2.967 . 0 0 "[ . 1 . 2]" 1
105 2 4 GLU H 2 7 GLU H . . 5.300 4.954 4.842 5.017 . 0 0 "[ . 1 . 2]" 1
106 2 1 THR HA 2 4 GLU H . . 4.720 3.725 3.401 3.942 . 0 0 "[ . 1 . 2]" 1
107 2 4 GLU H 2 4 GLU QG . . 3.350 2.599 2.166 3.108 . 0 0 "[ . 1 . 2]" 1
108 2 4 GLU H 2 4 GLU QB . . 3.140 2.399 2.363 2.453 . 0 0 "[ . 1 . 2]" 1
109 2 1 THR MG 2 4 GLU H . . 5.190 4.894 4.658 5.295 0.105 2 0 "[ . 1 . 2]" 1
110 2 21 VAL MG1 2 24 ILE H . . 5.000 4.675 4.636 4.706 . 0 0 "[ . 1 . 2]" 1
111 2 22 GLU H 2 24 ILE H . . 4.320 4.019 3.981 4.047 . 0 0 "[ . 1 . 2]" 1
112 2 21 VAL H 2 24 ILE H . . 5.050 4.992 4.944 5.047 . 0 0 "[ . 1 . 2]" 1
113 2 23 LYS H 2 24 ILE H . . 2.940 2.271 2.253 2.316 . 0 0 "[ . 1 . 2]" 1
114 2 22 GLU HA 2 24 ILE H . . 4.520 4.129 4.084 4.167 . 0 0 "[ . 1 . 2]" 1
115 2 21 VAL HA 2 24 ILE H . . 3.270 2.954 2.894 3.029 . 0 0 "[ . 1 . 2]" 1
116 2 23 LYS QE 2 24 ILE H . . 5.270 5.177 5.149 5.218 . 0 0 "[ . 1 . 2]" 1
117 2 24 ILE H 2 26 GLU QB . . 4.580 4.601 4.480 4.639 0.059 16 0 "[ . 1 . 2]" 1
118 2 24 ILE H 2 24 ILE HB . . 2.860 2.212 2.193 2.243 . 0 0 "[ . 1 . 2]" 1
119 2 24 ILE H 2 25 LYS HD2 . . 4.550 3.444 3.396 3.504 . 0 0 "[ . 1 . 2]" 1
120 2 24 ILE H 2 24 ILE HG13 . . 3.790 3.866 3.842 3.899 0.109 13 0 "[ . 1 . 2]" 1
121 2 24 ILE H 2 24 ILE MD . . 2.800 2.236 2.162 2.277 . 0 0 "[ . 1 . 2]" 1
122 2 2 VAL H 2 3 VAL H . . 3.650 2.659 2.582 2.724 . 0 0 "[ . 1 . 2]" 1
123 2 3 VAL H 2 4 GLU H . . 3.540 2.480 2.293 2.611 . 0 0 "[ . 1 . 2]" 1
124 2 1 THR HA 2 3 VAL H . . 4.580 4.334 4.097 4.444 . 0 0 "[ . 1 . 2]" 1
125 2 3 VAL H 2 4 GLU HA . . 5.290 5.146 4.996 5.253 . 0 0 "[ . 1 . 2]" 1
126 2 3 VAL H 2 3 VAL HA . . 2.910 2.899 2.868 2.940 0.030 2 0 "[ . 1 . 2]" 1
127 2 3 VAL H 2 4 GLU QG . . 4.700 4.372 3.904 4.888 0.188 19 0 "[ . 1 . 2]" 1
128 2 2 VAL HB 2 3 VAL H . . 3.180 3.008 2.739 3.192 0.012 9 0 "[ . 1 . 2]" 1
129 2 3 VAL H 2 3 VAL HB . . 2.890 2.397 2.189 2.598 . 0 0 "[ . 1 . 2]" 1
130 2 1 THR MG 2 3 VAL H . . 5.250 5.001 4.324 5.232 . 0 0 "[ . 1 . 2]" 1
131 2 95 GLN H 2 96 LYS QG . . 4.960 3.985 3.654 4.261 . 0 0 "[ . 1 . 2]" 1
132 2 95 GLN H 2 96 LYS H . . 3.690 2.630 2.587 2.694 . 0 0 "[ . 1 . 2]" 1
133 2 94 THR HB 2 95 GLN H . . 4.220 4.254 4.234 4.281 0.061 8 0 "[ . 1 . 2]" 1
134 2 95 GLN H 2 95 GLN QG . . 3.610 2.035 2.002 2.177 . 0 0 "[ . 1 . 2]" 1
135 2 95 GLN H 2 95 GLN QB . . 3.040 2.484 2.428 2.509 . 0 0 "[ . 1 . 2]" 1
136 2 94 THR MG 2 95 GLN H . . 4.230 3.844 3.820 3.873 . 0 0 "[ . 1 . 2]" 1
137 2 95 GLN H 2 96 LYS QB . . 5.360 4.891 4.830 5.042 . 0 0 "[ . 1 . 2]" 1
138 2 13 VAL H 2 16 ASP H . . 4.620 4.630 4.564 4.700 0.080 11 0 "[ . 1 . 2]" 1
139 2 15 ARG H 2 16 ASP H . . 2.920 2.262 2.180 2.303 . 0 0 "[ . 1 . 2]" 1
140 2 15 ARG HA 2 16 ASP H . . 3.480 3.439 3.357 3.485 0.005 7 0 "[ . 1 . 2]" 1
141 2 14 LYS HA 2 16 ASP H . . 4.430 3.993 3.944 4.070 . 0 0 "[ . 1 . 2]" 1
142 2 13 VAL HA 2 16 ASP H . . 3.510 3.138 3.080 3.191 . 0 0 "[ . 1 . 2]" 1
143 2 12 LEU HA 2 16 ASP H . . 4.590 4.473 4.402 4.586 . 0 0 "[ . 1 . 2]" 1
144 2 16 ASP H 2 16 ASP QB . . 2.690 2.195 2.175 2.207 . 0 0 "[ . 1 . 2]" 1
145 2 15 ARG QB 2 16 ASP H . . 3.820 3.142 2.973 3.409 . 0 0 "[ . 1 . 2]" 1
146 2 15 ARG QG 2 16 ASP H . . 4.280 4.297 4.157 4.339 0.059 13 0 "[ . 1 . 2]" 1
147 2 13 VAL MG2 2 16 ASP H . . 5.010 4.912 4.848 4.975 . 0 0 "[ . 1 . 2]" 1
148 2 16 ASP H 2 71 THR MG . . 5.500 3.843 3.744 3.965 . 0 0 "[ . 1 . 2]" 1
149 2 47 TYR H 2 48 ALA H . . 3.570 1.630 1.594 1.669 . 0 0 "[ . 1 . 2]" 1
150 2 47 TYR HD2 2 48 ALA H . . 4.480 3.601 3.326 3.782 . 0 0 "[ . 1 . 2]" 1
151 2 2 VAL H 2 3 VAL HB . . 5.180 4.790 4.565 4.932 . 0 0 "[ . 1 . 2]" 1
152 2 17 SER H 2 19 LYS H . . 4.940 3.906 3.821 4.016 . 0 0 "[ . 1 . 2]" 1
153 2 16 ASP QB 2 19 LYS H . . 5.500 5.481 5.365 5.579 0.079 11 0 "[ . 1 . 2]" 1
154 2 19 LYS H 2 19 LYS QB . . 3.300 2.448 2.347 2.589 . 0 0 "[ . 1 . 2]" 1
155 2 18 GLY H 2 19 LYS H . . 3.130 2.519 2.424 2.624 . 0 0 "[ . 1 . 2]" 1
156 2 19 LYS H 2 70 VAL HA . . 5.420 4.918 4.479 5.219 . 0 0 "[ . 1 . 2]" 1
157 2 17 SER HA 2 19 LYS H . . 5.040 4.477 4.310 4.643 . 0 0 "[ . 1 . 2]" 1
158 2 19 LYS H 2 19 LYS QE . . 4.140 3.340 3.085 3.744 . 0 0 "[ . 1 . 2]" 1
159 2 19 LYS H 2 19 LYS QG . . 3.820 2.224 1.948 3.006 . 0 0 "[ . 1 . 2]" 1
160 2 46 THR H 2 48 ALA H . . 5.500 2.759 2.689 2.841 . 0 0 "[ . 1 . 2]" 1
161 2 48 ALA H 2 51 ASN H . . 5.290 4.684 4.596 4.897 . 0 0 "[ . 1 . 2]" 1
162 2 48 ALA H 2 50 VAL H . . 4.620 4.322 4.212 4.396 . 0 0 "[ . 1 . 2]" 1
163 2 47 TYR HB3 2 48 ALA H . . 4.630 4.193 3.862 4.330 . 0 0 "[ . 1 . 2]" 1
164 2 47 TYR HB2 2 48 ALA H . . 4.630 4.133 4.069 4.195 . 0 0 "[ . 1 . 2]" 1
165 2 46 THR MG 2 48 ALA H . . 4.110 2.923 2.832 3.104 . 0 0 "[ . 1 . 2]" 1
166 2 2 VAL H 2 2 VAL HB . . 3.110 2.571 2.511 2.619 . 0 0 "[ . 1 . 2]" 1
167 2 1 THR MG 2 2 VAL H . . 3.800 3.401 2.193 3.742 . 0 0 "[ . 1 . 2]" 1
168 2 2 VAL H 2 2 VAL QG . . 2.920 1.896 1.855 1.943 . 0 0 "[ . 1 . 2]" 1
169 2 2 VAL H 2 99 VAL QG . . 5.230 4.583 4.360 4.749 . 0 0 "[ . 1 . 2]" 1
170 2 19 LYS H 2 20 PRO HD2 . . 4.950 4.868 4.852 4.890 . 0 0 "[ . 1 . 2]" 1
171 2 75 LYS H 2 77 LEU H . . 4.210 4.041 3.881 4.219 0.009 9 0 "[ . 1 . 2]" 1
172 2 75 LYS H 2 78 GLU H . . 5.500 4.757 4.631 4.890 . 0 0 "[ . 1 . 2]" 1
173 2 74 ASP HB3 2 75 LYS H . . 4.180 3.248 2.524 4.209 0.029 19 0 "[ . 1 . 2]" 1
174 2 75 LYS H 2 76 ILE HG12 . . 4.760 4.211 4.086 4.450 . 0 0 "[ . 1 . 2]" 1
175 2 75 LYS H 2 75 LYS HG2 . . 4.180 3.103 2.015 3.852 . 0 0 "[ . 1 . 2]" 1
176 2 52 ILE MG 2 54 ARG H . . 5.460 4.588 4.456 4.685 . 0 0 "[ . 1 . 2]" 1
177 2 60 HIS H 2 61 VAL H . . 3.970 2.654 2.611 2.707 . 0 0 "[ . 1 . 2]" 1
178 2 58 ASP HA 2 61 VAL H . . 4.800 3.564 3.474 3.683 . 0 0 "[ . 1 . 2]" 1
179 2 61 VAL H 2 61 VAL HB . . 3.390 2.300 2.256 2.324 . 0 0 "[ . 1 . 2]" 1
180 2 61 VAL H 2 61 VAL MG1 . . 3.930 3.711 3.690 3.725 . 0 0 "[ . 1 . 2]" 1
181 2 37 ILE MD 2 61 VAL H . . 4.200 4.139 3.977 4.247 0.047 16 0 "[ . 1 . 2]" 1
182 2 64 TYR H 2 65 LEU H . . 3.400 2.658 2.616 2.724 . 0 0 "[ . 1 . 2]" 1
183 2 64 TYR QB 2 65 LEU H . . 3.480 2.818 2.782 2.885 . 0 0 "[ . 1 . 2]" 1
184 2 65 LEU H 2 65 LEU MD2 . . 3.140 3.216 3.193 3.236 0.096 3 0 "[ . 1 . 2]" 1
185 2 65 LEU H 2 65 LEU HB3 . . 4.020 3.590 3.579 3.597 . 0 0 "[ . 1 . 2]" 1
186 2 65 LEU H 2 65 LEU HG . . 2.920 2.054 2.008 2.091 . 0 0 "[ . 1 . 2]" 1
187 2 85 LYS QG 2 88 GLU H . . 5.380 4.984 4.742 5.461 0.081 7 0 "[ . 1 . 2]" 1
188 2 72 ASP H 2 75 LYS H . . 5.500 4.388 4.134 4.565 . 0 0 "[ . 1 . 2]" 1
189 2 72 ASP H 2 73 PRO QD . . 5.010 4.059 3.889 4.236 . 0 0 "[ . 1 . 2]" 1
190 2 72 ASP H 2 72 ASP HB2 . . 3.970 3.687 3.289 4.032 0.062 20 0 "[ . 1 . 2]" 1
191 2 72 ASP H 2 76 ILE HG12 . . 5.330 2.234 2.059 2.428 . 0 0 "[ . 1 . 2]" 1
192 2 12 LEU HB3 2 72 ASP H . . 4.360 4.125 4.041 4.298 . 0 0 "[ . 1 . 2]" 1
193 2 12 LEU QD 2 72 ASP H . . 5.350 3.802 3.727 3.965 . 0 0 "[ . 1 . 2]" 1
194 2 54 ARG H 2 57 GLY H . . 5.300 4.761 4.677 4.867 . 0 0 "[ . 1 . 2]" 1
195 2 47 TYR HD2 2 54 ARG H . . 4.990 4.639 4.383 4.993 0.003 1 0 "[ . 1 . 2]" 1
196 2 54 ARG H 2 54 ARG HG3 . . 4.190 3.252 2.982 3.838 . 0 0 "[ . 1 . 2]" 1
197 2 54 ARG H 2 54 ARG HG2 . . 4.190 1.943 1.802 2.559 . 0 0 "[ . 1 . 2]" 1
198 2 85 LYS HA 2 88 GLU H . . 4.890 2.892 2.690 3.076 . 0 0 "[ . 1 . 2]" 1
199 2 106 TRP H 2 108 VAL H . . 4.480 4.049 3.925 4.194 . 0 0 "[ . 1 . 2]" 1
200 2 108 VAL H 2 109 VAL H . . 3.120 2.597 2.560 2.624 . 0 0 "[ . 1 . 2]" 1
201 2 106 TRP HA 2 108 VAL H . . 4.650 4.202 4.050 4.421 . 0 0 "[ . 1 . 2]" 1
202 2 63 LEU MD2 2 108 VAL H . . 4.320 4.101 4.011 4.236 . 0 0 "[ . 1 . 2]" 1
203 2 9 ARG H 2 11 GLU H . . 4.570 4.185 4.143 4.241 . 0 0 "[ . 1 . 2]" 1
204 2 108 VAL H 2 111 LYS H . . 5.010 4.976 4.911 5.033 0.023 8 0 "[ . 1 . 2]" 1
205 2 59 TRP HH2 2 108 VAL H . . 4.920 4.454 4.299 4.542 . 0 0 "[ . 1 . 2]" 1
206 2 104 LYS HA 2 108 VAL H . . 4.400 4.180 4.000 4.343 . 0 0 "[ . 1 . 2]" 1
207 2 105 ALA HA 2 108 VAL H . . 3.770 3.681 3.608 3.770 . 0 0 "[ . 1 . 2]" 1
208 2 11 GLU H 2 12 LEU HA . . 5.370 5.201 5.168 5.233 . 0 0 "[ . 1 . 2]" 1
209 2 10 LYS QE 2 11 GLU H . . 4.760 2.867 2.564 3.266 . 0 0 "[ . 1 . 2]" 1
210 2 108 VAL H 2 108 VAL HB . . 2.900 2.333 2.222 2.488 . 0 0 "[ . 1 . 2]" 1
211 2 10 LYS QD 2 11 GLU H . . 3.710 3.299 3.257 3.329 . 0 0 "[ . 1 . 2]" 1
212 2 108 VAL H 2 108 VAL QG . . 2.850 2.274 2.199 2.338 . 0 0 "[ . 1 . 2]" 1
213 2 11 GLU H 2 12 LEU QD . . 4.960 4.540 4.472 4.629 . 0 0 "[ . 1 . 2]" 1
214 2 11 GLU H 2 11 GLU QB . . 2.720 2.221 2.190 2.247 . 0 0 "[ . 1 . 2]" 1
215 2 10 LYS HB3 2 11 GLU H . . 5.500 2.773 2.723 2.850 . 0 0 "[ . 1 . 2]" 1
216 2 11 GLU H 2 12 LEU HB2 . . 5.330 4.854 4.813 4.907 . 0 0 "[ . 1 . 2]" 1
217 2 11 GLU H 2 14 LYS HG2 . . 5.500 4.875 4.731 5.209 . 0 0 "[ . 1 . 2]" 1
218 2 108 VAL H 2 110 LYS H . . 4.420 4.247 4.156 4.335 . 0 0 "[ . 1 . 2]" 1
219 2 106 TRP HA 2 110 LYS H . . 4.120 3.892 3.805 3.973 . 0 0 "[ . 1 . 2]" 1
220 2 110 LYS H 2 110 LYS QE . . 5.150 4.631 4.456 5.200 0.050 20 0 "[ . 1 . 2]" 1
221 2 110 LYS H 2 111 LYS QB . . 4.840 4.816 4.764 4.888 0.048 2 0 "[ . 1 . 2]" 1
222 2 110 LYS H 2 110 LYS QD . . 3.950 3.611 3.500 3.787 . 0 0 "[ . 1 . 2]" 1
223 2 110 LYS H 2 110 LYS HG3 . . 3.850 3.521 3.465 3.684 . 0 0 "[ . 1 . 2]" 1
224 2 110 LYS H 2 110 LYS QB . . 2.790 2.457 2.361 2.488 . 0 0 "[ . 1 . 2]" 1
225 2 63 LEU MD2 2 110 LYS H . . 5.500 5.351 5.033 5.483 . 0 0 "[ . 1 . 2]" 1
226 2 106 TRP HZ3 2 110 LYS H . . 5.260 4.884 4.790 4.999 . 0 0 "[ . 1 . 2]" 1
227 2 107 SER HA 2 109 VAL H . . 4.670 4.418 4.350 4.521 . 0 0 "[ . 1 . 2]" 1
228 2 63 LEU MD2 2 109 VAL H . . 4.040 3.438 3.196 3.558 . 0 0 "[ . 1 . 2]" 1
229 2 106 TRP HA 2 109 VAL H . . 3.910 3.329 3.203 3.447 . 0 0 "[ . 1 . 2]" 1
230 2 109 VAL H 2 110 LYS HA . . 5.460 5.151 5.107 5.190 . 0 0 "[ . 1 . 2]" 1
231 2 108 VAL HB 2 109 VAL H . . 4.050 3.217 2.709 4.098 0.048 16 0 "[ . 1 . 2]" 1
232 2 109 VAL H 2 109 VAL HB . . 3.140 2.429 2.329 2.471 . 0 0 "[ . 1 . 2]" 1
233 2 108 VAL QG 2 109 VAL H . . 3.490 2.932 2.389 3.241 . 0 0 "[ . 1 . 2]" 1
234 2 97 TYR HA 2 100 ILE H . . 4.840 3.537 3.457 3.590 . 0 0 "[ . 1 . 2]" 1
235 2 99 VAL HB 2 100 ILE H . . 3.850 2.822 2.701 2.863 . 0 0 "[ . 1 . 2]" 1
236 2 100 ILE H 2 102 LEU QB . . 5.500 5.281 5.208 5.358 . 0 0 "[ . 1 . 2]" 1
237 2 99 VAL QG 2 100 ILE H . . 3.970 3.237 3.165 3.279 . 0 0 "[ . 1 . 2]" 1
238 2 96 LYS QB 2 100 ILE H . . 5.480 4.962 4.818 5.091 . 0 0 "[ . 1 . 2]" 1
239 2 100 ILE H 2 102 LEU QD . . 5.500 5.096 5.033 5.207 . 0 0 "[ . 1 . 2]" 1
240 2 12 LEU QD 2 14 LYS H . . 5.500 5.286 5.254 5.324 . 0 0 "[ . 1 . 2]" 1
241 2 12 LEU H 2 14 LYS H . . 4.280 4.013 3.990 4.073 . 0 0 "[ . 1 . 2]" 1
242 2 11 GLU H 2 14 LYS H . . 4.830 4.805 4.761 4.843 0.013 5 0 "[ . 1 . 2]" 1
243 2 14 LYS H 2 16 ASP H . . 4.350 3.823 3.796 3.855 . 0 0 "[ . 1 . 2]" 1
244 2 14 LYS H 2 15 ARG HA . . 5.500 5.163 5.130 5.212 . 0 0 "[ . 1 . 2]" 1
245 2 10 LYS HA 2 14 LYS H . . 4.240 4.168 4.060 4.237 . 0 0 "[ . 1 . 2]" 1
246 2 12 LEU HA 2 14 LYS H . . 4.760 4.321 4.284 4.374 . 0 0 "[ . 1 . 2]" 1
247 2 14 LYS H 2 16 ASP QB . . 5.230 4.638 4.583 4.691 . 0 0 "[ . 1 . 2]" 1
248 2 13 VAL HB 2 14 LYS H . . 3.130 2.897 2.855 2.933 . 0 0 "[ . 1 . 2]" 1
249 2 14 LYS H 2 14 LYS QB . . 2.600 2.381 2.312 2.411 . 0 0 "[ . 1 . 2]" 1
250 2 10 LYS HG2 2 14 LYS H . . 4.990 4.776 4.566 4.900 . 0 0 "[ . 1 . 2]" 1
251 2 14 LYS H 2 14 LYS HG2 . . 3.660 3.220 3.150 3.419 . 0 0 "[ . 1 . 2]" 1
252 2 13 VAL MG2 2 14 LYS H . . 4.770 4.091 4.075 4.119 . 0 0 "[ . 1 . 2]" 1
253 2 60 HIS H 2 62 ILE H . . 5.210 4.214 4.167 4.272 . 0 0 "[ . 1 . 2]" 1
254 2 58 ASP HA 2 62 ILE H . . 5.130 4.003 3.907 4.054 . 0 0 "[ . 1 . 2]" 1
255 2 62 ILE H 2 63 LEU HB2 . . 5.500 4.763 4.708 4.800 . 0 0 "[ . 1 . 2]" 1
256 2 59 TRP HA 2 62 ILE H . . 5.030 3.585 3.534 3.631 . 0 0 "[ . 1 . 2]" 1
257 2 61 VAL HB 2 62 ILE H . . 3.970 2.713 2.670 2.749 . 0 0 "[ . 1 . 2]" 1
258 2 62 ILE H 2 62 ILE HG12 . . 3.860 3.734 3.693 3.772 . 0 0 "[ . 1 . 2]" 1
259 2 62 ILE H 2 62 ILE HB . . 3.530 2.295 2.271 2.310 . 0 0 "[ . 1 . 2]" 1
260 2 61 VAL MG1 2 62 ILE H . . 4.200 3.314 3.212 3.382 . 0 0 "[ . 1 . 2]" 1
261 2 62 ILE H 2 62 ILE HG13 . . 4.070 2.394 2.360 2.430 . 0 0 "[ . 1 . 2]" 1
262 2 62 ILE H 2 62 ILE MG . . 3.840 3.710 3.698 3.722 . 0 0 "[ . 1 . 2]" 1
263 2 37 ILE MD 2 62 ILE H . . 5.500 5.137 4.964 5.256 . 0 0 "[ . 1 . 2]" 1
264 2 58 ASP H 2 61 VAL MG2 . . 5.500 4.935 4.879 4.989 . 0 0 "[ . 1 . 2]" 1
265 2 58 ASP H 2 62 ILE MD . . 5.500 5.351 5.223 5.449 . 0 0 "[ . 1 . 2]" 1
266 2 58 ASP H 2 59 TRP H . . 5.220 2.583 2.536 2.624 . 0 0 "[ . 1 . 2]" 1
267 2 100 ILE H 2 100 ILE MG . . 3.830 3.708 3.696 3.721 . 0 0 "[ . 1 . 2]" 1
268 2 14 LYS H 2 14 LYS QE . . 5.370 4.854 4.620 4.976 . 0 0 "[ . 1 . 2]" 1
269 2 101 THR H 2 102 LEU H . . 3.400 2.675 2.642 2.718 . 0 0 "[ . 1 . 2]" 1
270 2 98 PHE HA 2 102 LEU H . . 4.180 3.522 3.447 3.643 . 0 0 "[ . 1 . 2]" 1
271 2 101 THR HB 2 102 LEU H . . 3.020 2.651 2.622 2.706 . 0 0 "[ . 1 . 2]" 1
272 2 102 LEU H 2 104 LYS QB . . 5.380 5.433 5.306 5.538 0.158 11 0 "[ . 1 . 2]" 1
273 2 102 LEU H 2 102 LEU QB . . 3.250 2.212 2.187 2.230 . 0 0 "[ . 1 . 2]" 1
274 2 102 LEU H 2 102 LEU QD . . 3.510 2.284 2.241 2.329 . 0 0 "[ . 1 . 2]" 1
275 2 13 VAL H 2 16 ASP QB . . 5.050 4.508 4.424 4.560 . 0 0 "[ . 1 . 2]" 1
276 2 12 LEU HG 2 13 VAL H . . 4.410 4.279 4.204 4.383 . 0 0 "[ . 1 . 2]" 1
277 2 13 VAL H 2 14 LYS H . . 3.150 2.539 2.502 2.578 . 0 0 "[ . 1 . 2]" 1
278 2 11 GLU H 2 13 VAL H . . 4.330 4.072 4.017 4.137 . 0 0 "[ . 1 . 2]" 1
279 2 13 VAL H 2 13 VAL HB . . 2.900 2.275 2.241 2.307 . 0 0 "[ . 1 . 2]" 1
280 2 13 VAL H 2 14 LYS QB . . 4.490 4.556 4.518 4.573 0.083 6 0 "[ . 1 . 2]" 1
281 2 12 LEU HB2 2 13 VAL H . . 3.840 2.754 2.689 2.817 . 0 0 "[ . 1 . 2]" 1
282 2 13 VAL H 2 13 VAL MG2 . . 2.820 2.381 2.319 2.464 . 0 0 "[ . 1 . 2]" 1
283 2 12 LEU QD 2 13 VAL H . . 4.190 4.141 4.108 4.185 . 0 0 "[ . 1 . 2]" 1
284 2 58 ASP H 2 59 TRP QB . . 5.500 4.253 4.225 4.277 . 0 0 "[ . 1 . 2]" 1
285 2 23 LYS HA 2 27 GLU H . . 4.190 3.867 3.795 3.909 . 0 0 "[ . 1 . 2]" 1
286 2 27 GLU H 2 28 ILE HA . . 5.300 5.149 5.119 5.168 . 0 0 "[ . 1 . 2]" 1
287 2 24 ILE HA 2 27 GLU H . . 3.790 3.729 3.639 3.781 . 0 0 "[ . 1 . 2]" 1
288 2 23 LYS QE 2 27 GLU H . . 4.740 4.445 4.332 4.485 . 0 0 "[ . 1 . 2]" 1
289 2 27 GLU H 2 27 GLU QB . . 3.040 2.480 2.461 2.511 . 0 0 "[ . 1 . 2]" 1
290 2 27 GLU H 2 30 THR MG . . 5.000 4.516 4.406 4.711 . 0 0 "[ . 1 . 2]" 1
291 2 24 ILE H 2 27 GLU H . . 5.040 4.796 4.754 4.844 . 0 0 "[ . 1 . 2]" 1
292 2 96 LYS H 2 98 PHE H . . 5.110 4.157 4.105 4.224 . 0 0 "[ . 1 . 2]" 1
293 2 96 LYS H 2 97 TYR H . . 3.800 2.406 2.394 2.432 . 0 0 "[ . 1 . 2]" 1
294 2 95 GLN QB 2 96 LYS H . . 3.570 3.508 3.456 3.526 . 0 0 "[ . 1 . 2]" 1
295 2 1 THR MG 2 96 LYS H . . 5.030 3.945 3.562 4.477 . 0 0 "[ . 1 . 2]" 1
296 2 96 LYS H 2 96 LYS QG . . 3.720 2.056 1.798 2.247 . 0 0 "[ . 1 . 2]" 1
297 2 112 TYR H 2 114 GLU H . . 3.870 3.932 3.908 3.956 0.086 18 0 "[ . 1 . 2]" 1
298 2 111 LYS H 2 114 GLU H . . 4.890 4.837 4.804 4.863 . 0 0 "[ . 1 . 2]" 1
299 2 114 GLU H 2 114 GLU HA . . 2.830 2.829 2.818 2.837 0.007 5 0 "[ . 1 . 2]" 1
300 2 111 LYS HA 2 114 GLU H . . 3.730 3.218 3.181 3.270 . 0 0 "[ . 1 . 2]" 1
301 2 110 LYS HA 2 114 GLU H . . 4.630 4.446 4.416 4.484 . 0 0 "[ . 1 . 2]" 1
302 2 114 GLU H 2 114 GLU HB2 . . 3.590 3.583 3.572 3.592 0.002 6 0 "[ . 1 . 2]" 1
303 2 114 GLU H 2 114 GLU HB3 . . 2.890 2.404 2.374 2.435 . 0 0 "[ . 1 . 2]" 1
304 2 113 LEU QB 2 114 GLU H . . 3.950 3.994 3.989 4.001 0.051 3 0 "[ . 1 . 2]" 1
305 2 113 LEU QD 2 114 GLU H . . 3.670 3.277 3.227 3.342 . 0 0 "[ . 1 . 2]" 1
306 2 111 LYS HA 2 113 LEU H . . 4.350 3.943 3.887 3.984 . 0 0 "[ . 1 . 2]" 1
307 2 50 VAL H 2 52 ILE H . . 3.980 3.484 3.383 3.582 . 0 0 "[ . 1 . 2]" 1
308 2 47 TYR HD2 2 52 ILE H . . 5.500 3.946 3.557 4.524 . 0 0 "[ . 1 . 2]" 1
309 2 47 TYR HA 2 52 ILE H . . 4.100 3.748 3.590 3.851 . 0 0 "[ . 1 . 2]" 1
310 2 51 ASN HA 2 52 ILE H . . 2.960 2.992 2.945 3.048 0.088 10 0 "[ . 1 . 2]" 1
311 2 109 VAL HA 2 113 LEU H . . 4.420 4.481 4.440 4.511 0.091 11 0 "[ . 1 . 2]" 1
312 2 112 TYR QB 2 113 LEU H . . 3.400 3.275 3.247 3.315 . 0 0 "[ . 1 . 2]" 1
313 2 50 VAL HB 2 52 ILE H . . 4.910 4.031 3.861 4.137 . 0 0 "[ . 1 . 2]" 1
314 2 113 LEU H 2 113 LEU HG . . 3.000 2.022 1.993 2.054 . 0 0 "[ . 1 . 2]" 1
315 2 52 ILE H 2 52 ILE HB . . 3.150 2.547 2.509 2.576 . 0 0 "[ . 1 . 2]" 1
316 2 113 LEU H 2 113 LEU QB . . 3.410 2.910 2.892 2.935 . 0 0 "[ . 1 . 2]" 1
317 2 50 VAL MG2 2 52 ILE H . . 3.370 1.926 1.834 2.068 . 0 0 "[ . 1 . 2]" 1
318 2 52 ILE H 2 52 ILE MG . . 2.920 2.068 1.995 2.166 . 0 0 "[ . 1 . 2]" 1
319 2 52 ILE H 2 52 ILE MD . . 4.700 4.339 4.286 4.355 . 0 0 "[ . 1 . 2]" 1
320 2 79 LEU H 2 80 LEU H . . 2.920 2.506 2.367 2.572 . 0 0 "[ . 1 . 2]" 1
321 2 78 GLU H 2 80 LEU H . . 3.990 4.039 3.940 4.088 0.098 16 0 "[ . 1 . 2]" 1
322 2 78 GLU HA 2 80 LEU H . . 5.500 3.942 3.736 4.202 . 0 0 "[ . 1 . 2]" 1
323 2 79 LEU HG 2 80 LEU H . . 3.430 3.085 2.726 3.241 . 0 0 "[ . 1 . 2]" 1
324 2 79 LEU HB3 2 80 LEU H . . 4.640 4.351 4.180 4.410 . 0 0 "[ . 1 . 2]" 1
325 2 80 LEU H 2 80 LEU MD1 . . 5.500 3.394 2.727 3.634 . 0 0 "[ . 1 . 2]" 1
326 2 80 LEU H 2 80 LEU MD2 . . 5.500 3.639 3.096 4.099 . 0 0 "[ . 1 . 2]" 1
327 2 77 LEU QD 2 80 LEU H . . 5.250 4.543 4.334 4.727 . 0 0 "[ . 1 . 2]" 1
328 2 20 PRO HA 2 23 LYS H . . 4.780 4.869 4.828 4.882 0.102 16 0 "[ . 1 . 2]" 1
329 2 23 LYS H 2 23 LYS HG2 . . 3.170 2.471 2.415 2.509 . 0 0 "[ . 1 . 2]" 1
330 2 21 VAL MG1 2 23 LYS H . . 4.590 4.381 4.346 4.405 . 0 0 "[ . 1 . 2]" 1
331 2 21 VAL HA 2 23 LYS H . . 3.850 3.702 3.672 3.746 . 0 0 "[ . 1 . 2]" 1
332 2 23 LYS H 2 23 LYS QE . . 4.680 4.503 4.473 4.536 . 0 0 "[ . 1 . 2]" 1
333 2 20 PRO HB2 2 23 LYS H . . 3.940 3.942 3.908 3.977 0.037 11 0 "[ . 1 . 2]" 1
334 2 23 LYS H 2 25 LYS HD2 . . 4.730 4.201 4.169 4.240 . 0 0 "[ . 1 . 2]" 1
335 2 23 LYS H 2 24 ILE MD . . 3.510 3.187 3.133 3.269 . 0 0 "[ . 1 . 2]" 1
336 2 9 ARG H 2 10 LYS H . . 3.370 2.563 2.540 2.585 . 0 0 "[ . 1 . 2]" 1
337 2 6 GLU QG 2 9 ARG H . . 5.500 5.529 5.347 5.591 0.091 20 0 "[ . 1 . 2]" 1
338 2 9 ARG H 2 12 LEU HG . . 4.840 4.759 4.581 4.838 . 0 0 "[ . 1 . 2]" 1
339 2 8 LEU H 2 9 ARG H . . 3.110 2.623 2.588 2.656 . 0 0 "[ . 1 . 2]" 1
340 2 5 PHE HA 2 9 ARG H . . 4.110 3.475 3.372 3.524 . 0 0 "[ . 1 . 2]" 1
341 2 9 ARG H 2 10 LYS HA . . 5.350 5.186 5.162 5.206 . 0 0 "[ . 1 . 2]" 1
342 2 8 LEU HB3 2 9 ARG H . . 3.380 2.602 2.560 2.646 . 0 0 "[ . 1 . 2]" 1
343 2 9 ARG H 2 9 ARG HG3 . . 3.420 2.226 2.157 2.317 . 0 0 "[ . 1 . 2]" 1
344 2 9 ARG H 2 9 ARG HB2 . . 3.750 3.603 3.591 3.619 . 0 0 "[ . 1 . 2]" 1
345 2 8 LEU HG 2 9 ARG H . . 4.100 3.784 3.727 3.852 . 0 0 "[ . 1 . 2]" 1
346 2 8 LEU QD 2 9 ARG H . . 3.980 3.901 3.863 3.951 . 0 0 "[ . 1 . 2]" 1
347 2 62 ILE H 2 63 LEU H . . 3.590 2.689 2.669 2.710 . 0 0 "[ . 1 . 2]" 1
348 2 60 HIS HA 2 63 LEU H . . 3.910 3.553 3.470 3.631 . 0 0 "[ . 1 . 2]" 1
349 2 61 VAL HA 2 63 LEU H . . 4.950 4.401 4.343 4.459 . 0 0 "[ . 1 . 2]" 1
350 2 63 LEU H 2 64 TYR QB . . 4.390 4.341 4.314 4.370 . 0 0 "[ . 1 . 2]" 1
351 2 62 ILE HG12 2 63 LEU H . . 5.440 5.190 5.162 5.216 . 0 0 "[ . 1 . 2]" 1
352 2 62 ILE HB 2 63 LEU H . . 3.660 2.826 2.776 2.856 . 0 0 "[ . 1 . 2]" 1
353 2 63 LEU H 2 63 LEU HB2 . . 3.370 2.338 2.296 2.374 . 0 0 "[ . 1 . 2]" 1
354 2 61 VAL MG1 2 63 LEU H . . 5.010 4.938 4.862 5.009 . 0 0 "[ . 1 . 2]" 1
355 2 63 LEU H 2 63 LEU HG . . 3.170 2.394 2.321 2.514 . 0 0 "[ . 1 . 2]" 1
356 2 63 LEU H 2 63 LEU MD2 . . 4.020 3.603 3.525 3.686 . 0 0 "[ . 1 . 2]" 1
357 2 65 LEU H 2 66 MET H . . 3.660 2.517 2.482 2.555 . 0 0 "[ . 1 . 2]" 1
358 2 66 MET H 2 66 MET HB2 . . 3.210 2.346 2.300 2.438 . 0 0 "[ . 1 . 2]" 1
359 2 65 LEU HB3 2 66 MET H . . 4.340 3.971 3.931 4.050 . 0 0 "[ . 1 . 2]" 1
360 2 65 LEU HG 2 66 MET H . . 4.110 4.225 4.204 4.243 0.133 18 0 "[ . 1 . 2]" 1
361 2 62 ILE MG 2 66 MET H . . 4.900 4.335 4.276 4.373 . 0 0 "[ . 1 . 2]" 1
362 2 63 LEU H 2 66 MET H . . 5.420 5.000 4.961 5.109 . 0 0 "[ . 1 . 2]" 1
363 2 66 MET H 2 70 VAL H . . 5.500 5.261 5.177 5.442 . 0 0 "[ . 1 . 2]" 1
364 2 64 TYR H 2 66 MET H . . 4.730 4.060 3.963 4.173 . 0 0 "[ . 1 . 2]" 1
365 2 66 MET H 2 71 THR HA . . 5.500 5.404 5.263 5.529 0.029 4 0 "[ . 1 . 2]" 1
366 2 63 LEU HA 2 66 MET H . . 4.010 3.531 3.406 3.689 . 0 0 "[ . 1 . 2]" 1
367 2 63 LEU MD2 2 66 MET H . . 5.280 4.974 4.794 5.117 . 0 0 "[ . 1 . 2]" 1
368 2 86 ALA H 2 87 LYS H . . 3.680 2.705 2.633 2.791 . 0 0 "[ . 1 . 2]" 1
369 2 86 ALA H 2 88 GLU QB . . 5.500 4.865 4.650 5.308 . 0 0 "[ . 1 . 2]" 1
370 2 77 LEU QD 2 86 ALA H . . 5.430 5.128 4.844 5.334 . 0 0 "[ . 1 . 2]" 1
371 2 85 LYS QG 2 86 ALA H . . 5.050 4.106 2.906 4.293 . 0 0 "[ . 1 . 2]" 1
372 2 12 LEU H 2 13 VAL H . . 3.360 2.500 2.454 2.558 . 0 0 "[ . 1 . 2]" 1
373 2 11 GLU H 2 12 LEU H . . 3.070 2.563 2.517 2.618 . 0 0 "[ . 1 . 2]" 1
374 2 8 LEU HA 2 12 LEU H . . 5.110 4.754 4.635 4.825 . 0 0 "[ . 1 . 2]" 1
375 2 10 LYS HA 2 12 LEU H . . 4.550 4.244 4.175 4.307 . 0 0 "[ . 1 . 2]" 1
376 2 11 GLU HG3 2 12 LEU H . . 4.340 4.255 3.851 4.398 0.058 19 0 "[ . 1 . 2]" 1
377 2 11 GLU QB 2 12 LEU H . . 2.930 2.860 2.791 2.941 0.011 6 0 "[ . 1 . 2]" 1
378 2 12 LEU H 2 12 LEU HB2 . . 3.170 2.494 2.463 2.543 . 0 0 "[ . 1 . 2]" 1
379 2 12 LEU H 2 13 VAL MG2 . . 4.200 4.105 4.070 4.175 . 0 0 "[ . 1 . 2]" 1
380 2 12 LEU H 2 12 LEU HG . . 3.360 2.238 2.149 2.331 . 0 0 "[ . 1 . 2]" 1
381 2 12 LEU H 2 12 LEU QD . . 3.300 3.035 2.928 3.122 . 0 0 "[ . 1 . 2]" 1
382 2 17 SER H 2 71 THR H . . 4.590 4.448 4.209 4.606 0.016 15 0 "[ . 1 . 2]" 1
383 2 16 ASP H 2 17 SER H . . 4.840 4.664 4.651 4.682 . 0 0 "[ . 1 . 2]" 1
384 2 17 SER H 2 70 VAL HA . . 4.220 2.305 2.074 2.469 . 0 0 "[ . 1 . 2]" 1
385 2 17 SER H 2 19 LYS QE . . 5.500 4.712 4.210 5.602 0.102 13 0 "[ . 1 . 2]" 1
386 2 16 ASP QB 2 17 SER H . . 3.810 3.584 3.446 3.684 . 0 0 "[ . 1 . 2]" 1
387 2 86 ALA H 2 94 THR HB . . 5.500 5.497 5.372 5.566 0.066 6 0 "[ . 1 . 2]" 1
388 2 86 ALA H 2 86 ALA MB . . 3.200 2.123 2.097 2.145 . 0 0 "[ . 1 . 2]" 1
389 2 86 ALA H 2 88 GLU H . . 4.700 3.974 3.842 4.075 . 0 0 "[ . 1 . 2]" 1
390 2 84 SER QB 2 86 ALA H . . 4.330 3.027 2.858 3.153 . 0 0 "[ . 1 . 2]" 1
391 2 10 LYS QE 2 12 LEU H . . 5.500 5.222 4.959 5.527 0.027 10 0 "[ . 1 . 2]" 1
392 2 59 TRP H 2 60 HIS H . . 3.560 2.788 2.748 2.856 . 0 0 "[ . 1 . 2]" 1
393 2 59 TRP H 2 59 TRP HD1 . . 4.950 4.690 4.633 4.723 . 0 0 "[ . 1 . 2]" 1
394 2 59 TRP H 2 59 TRP QB . . 3.560 2.152 2.140 2.164 . 0 0 "[ . 1 . 2]" 1
395 2 58 ASP QB 2 59 TRP H . . 3.990 2.697 2.604 2.776 . 0 0 "[ . 1 . 2]" 1
396 2 59 TRP H 2 62 ILE MD . . 4.700 4.262 4.113 4.359 . 0 0 "[ . 1 . 2]" 1
397 2 59 TRP H 2 61 VAL H . . 4.760 4.116 4.042 4.173 . 0 0 "[ . 1 . 2]" 1
398 2 55 SER HA 2 59 TRP H . . 5.280 4.427 4.040 4.607 . 0 0 "[ . 1 . 2]" 1
399 2 110 LYS H 2 112 TYR H . . 4.220 3.817 3.793 3.859 . 0 0 "[ . 1 . 2]" 1
400 2 109 VAL H 2 112 TYR H . . 4.950 4.591 4.541 4.647 . 0 0 "[ . 1 . 2]" 1
401 2 112 TYR H 2 113 LEU H . . 2.870 2.560 2.533 2.593 . 0 0 "[ . 1 . 2]" 1
402 2 112 TYR H 2 112 TYR HD2 . . 3.590 3.677 3.654 3.698 0.108 18 0 "[ . 1 . 2]" 1
403 2 111 LYS H 2 112 TYR H . . 2.960 2.370 2.334 2.394 . 0 0 "[ . 1 . 2]" 1
404 2 112 TYR H 2 113 LEU HA . . 5.330 5.225 5.203 5.254 . 0 0 "[ . 1 . 2]" 1
405 2 109 VAL HA 2 112 TYR H . . 3.620 3.230 3.156 3.267 . 0 0 "[ . 1 . 2]" 1
406 2 112 TYR H 2 112 TYR QB . . 2.890 2.057 2.041 2.071 . 0 0 "[ . 1 . 2]" 1
407 2 111 LYS QB 2 112 TYR H . . 3.680 3.685 3.648 3.710 0.030 7 0 "[ . 1 . 2]" 1
408 2 111 LYS QG 2 112 TYR H . . 3.640 2.532 2.417 2.611 . 0 0 "[ . 1 . 2]" 1
409 2 110 LYS QB 2 112 TYR H . . 5.180 4.900 4.871 4.935 . 0 0 "[ . 1 . 2]" 1
410 2 102 LEU QD 2 106 TRP H . . 5.190 3.966 3.811 4.125 . 0 0 "[ . 1 . 2]" 1
411 2 63 LEU MD2 2 106 TRP H . . 4.930 4.561 4.510 4.631 . 0 0 "[ . 1 . 2]" 1
412 2 105 ALA H 2 106 TRP H . . 3.230 2.668 2.553 2.741 . 0 0 "[ . 1 . 2]" 1
413 2 106 TRP H 2 106 TRP HD1 . . 5.090 4.838 4.810 4.864 . 0 0 "[ . 1 . 2]" 1
414 2 103 SER HA 2 106 TRP H . . 4.660 3.951 3.775 4.109 . 0 0 "[ . 1 . 2]" 1
415 2 104 LYS HA 2 106 TRP H . . 5.120 4.482 4.342 4.578 . 0 0 "[ . 1 . 2]" 1
416 2 106 TRP H 2 106 TRP HB2 . . 3.000 2.723 2.706 2.749 . 0 0 "[ . 1 . 2]" 1
417 2 106 TRP H 2 108 VAL QG . . 4.770 4.695 4.324 4.896 0.126 5 0 "[ . 1 . 2]" 1
418 2 105 ALA MB 2 106 TRP H . . 3.010 2.641 2.583 2.710 . 0 0 "[ . 1 . 2]" 1
419 2 62 ILE MG 2 106 TRP H . . 4.940 4.746 4.615 4.914 . 0 0 "[ . 1 . 2]" 1
420 2 12 LEU QD 2 106 TRP H . . 4.790 4.533 4.464 4.656 . 0 0 "[ . 1 . 2]" 1
421 2 5 PHE H 2 6 GLU H . . 4.000 2.717 2.660 2.749 . 0 0 "[ . 1 . 2]" 1
422 2 97 TYR H 2 98 PHE H . . 3.670 2.725 2.696 2.791 . 0 0 "[ . 1 . 2]" 1
423 2 97 TYR H 2 99 VAL H . . 5.000 4.236 4.151 4.275 . 0 0 "[ . 1 . 2]" 1
424 2 97 TYR H 2 97 TYR HD2 . . 4.290 4.286 4.164 4.337 0.047 15 0 "[ . 1 . 2]" 1
425 2 94 THR HB 2 97 TYR H . . 5.100 5.070 5.006 5.123 0.023 11 0 "[ . 1 . 2]" 1
426 2 97 TYR H 2 97 TYR QB . . 3.530 2.195 2.164 2.209 . 0 0 "[ . 1 . 2]" 1
427 2 95 GLN QB 2 97 TYR H . . 5.020 5.063 5.040 5.087 0.067 7 0 "[ . 1 . 2]" 1
428 2 94 THR MG 2 97 TYR H . . 5.180 5.078 5.045 5.102 . 0 0 "[ . 1 . 2]" 1
429 2 96 LYS QB 2 97 TYR H . . 4.050 3.626 3.564 3.685 . 0 0 "[ . 1 . 2]" 1
430 2 66 MET H 2 67 LYS H . . 3.400 2.588 2.516 2.609 . 0 0 "[ . 1 . 2]" 1
431 2 67 LYS H 2 70 VAL H . . 5.250 5.357 5.336 5.395 0.145 20 0 "[ . 1 . 2]" 1
432 2 67 LYS H 2 67 LYS HB3 . . 4.120 3.546 2.725 3.599 . 0 0 "[ . 1 . 2]" 1
433 2 63 LEU MD2 2 67 LYS H . . 5.500 5.512 5.360 5.582 0.082 3 0 "[ . 1 . 2]" 1
434 2 77 LEU H 2 79 LEU H . . 4.320 4.071 3.901 4.196 . 0 0 "[ . 1 . 2]" 1
435 2 79 LEU H 2 80 LEU HA . . 5.200 4.997 4.915 5.050 . 0 0 "[ . 1 . 2]" 1
436 2 78 GLU HA 2 79 LEU H . . 3.490 3.545 3.513 3.570 0.080 8 0 "[ . 1 . 2]" 1
437 2 78 GLU HB3 2 79 LEU H . . 3.430 2.981 2.868 3.094 . 0 0 "[ . 1 . 2]" 1
438 2 79 LEU H 2 79 LEU HG . . 2.950 2.100 1.997 2.355 . 0 0 "[ . 1 . 2]" 1
439 2 79 LEU H 2 79 LEU HB3 . . 3.150 2.652 2.553 2.802 . 0 0 "[ . 1 . 2]" 1
440 2 79 LEU H 2 79 LEU QD . . 3.280 3.045 3.006 3.108 . 0 0 "[ . 1 . 2]" 1
441 2 77 LEU QD 2 79 LEU H . . 5.500 5.224 5.192 5.257 . 0 0 "[ . 1 . 2]" 1
442 2 26 GLU H 2 27 GLU H . . 3.010 2.593 2.553 2.636 . 0 0 "[ . 1 . 2]" 1
443 2 24 ILE H 2 26 GLU H . . 4.250 3.815 3.732 3.841 . 0 0 "[ . 1 . 2]" 1
444 2 23 LYS H 2 26 GLU H . . 4.770 4.818 4.779 4.856 0.086 13 0 "[ . 1 . 2]" 1
445 2 23 LYS HA 2 26 GLU H . . 3.310 3.361 3.299 3.390 0.080 20 0 "[ . 1 . 2]" 1
446 2 26 GLU H 2 29 CYS QB . . 5.050 5.092 4.983 5.190 0.140 12 0 "[ . 1 . 2]" 1
447 2 26 GLU H 2 26 GLU HA . . 2.940 2.882 2.868 2.897 . 0 0 "[ . 1 . 2]" 1
448 2 25 LYS HA 2 26 GLU H . . 3.490 3.512 3.496 3.528 0.038 5 0 "[ . 1 . 2]" 1
449 2 26 GLU H 2 26 GLU QB . . 2.490 2.227 2.201 2.241 . 0 0 "[ . 1 . 2]" 1
450 2 25 LYS HD2 2 26 GLU H . . 3.300 2.570 2.495 2.629 . 0 0 "[ . 1 . 2]" 1
451 2 25 LYS HG3 2 26 GLU H . . 4.230 4.272 4.235 4.302 0.072 11 0 "[ . 1 . 2]" 1
452 2 65 LEU HA 2 67 LYS H . . 4.630 4.146 4.069 4.311 . 0 0 "[ . 1 . 2]" 1
453 2 67 LYS H 2 67 LYS HE2 . . 5.100 5.169 4.209 5.270 0.170 11 0 "[ . 1 . 2]" 1
454 2 66 MET HB3 2 67 LYS H . . 4.240 3.779 3.654 4.038 . 0 0 "[ . 1 . 2]" 1
455 2 67 LYS H 2 67 LYS HB2 . . 4.120 2.451 2.362 3.638 . 0 0 "[ . 1 . 2]" 1
456 2 67 LYS H 2 67 LYS HD2 . . 4.850 3.960 3.875 4.423 . 0 0 "[ . 1 . 2]" 1
457 2 65 LEU H 2 67 LYS H . . 4.550 4.087 4.005 4.255 . 0 0 "[ . 1 . 2]" 1
458 2 63 LEU HA 2 67 LYS H . . 4.850 4.579 4.503 4.646 . 0 0 "[ . 1 . 2]" 1
459 2 66 MET HB2 2 67 LYS H . . 3.600 2.887 2.820 3.094 . 0 0 "[ . 1 . 2]" 1
460 2 100 ILE H 2 101 THR H . . 3.750 2.586 2.554 2.669 . 0 0 "[ . 1 . 2]" 1
461 2 101 THR H 2 101 THR HB . . 2.820 2.482 2.424 2.520 . 0 0 "[ . 1 . 2]" 1
462 2 100 ILE HG13 2 101 THR H . . 4.430 4.447 4.423 4.477 0.047 19 0 "[ . 1 . 2]" 1
463 2 101 THR H 2 102 LEU QB . . 4.940 4.557 4.502 4.608 . 0 0 "[ . 1 . 2]" 1
464 2 100 ILE MG 2 101 THR H . . 3.340 3.200 3.130 3.253 . 0 0 "[ . 1 . 2]" 1
465 2 100 ILE MD 2 101 THR H . . 4.430 4.473 4.370 4.492 0.062 2 0 "[ . 1 . 2]" 1
466 2 101 THR H 2 102 LEU QD . . 4.910 3.819 3.765 3.873 . 0 0 "[ . 1 . 2]" 1
467 2 45 LYS H 2 46 THR H . . 4.600 4.599 4.564 4.626 0.026 1 0 "[ . 1 . 2]" 1
468 2 44 ASN H 2 45 LYS H . . 3.510 2.771 2.688 2.894 . 0 0 "[ . 1 . 2]" 1
469 2 43 GLU HB3 2 45 LYS H . . 4.530 2.835 2.658 2.926 . 0 0 "[ . 1 . 2]" 1
470 2 45 LYS H 2 45 LYS HB2 . . 3.610 2.484 2.411 2.531 . 0 0 "[ . 1 . 2]" 1
471 2 45 LYS H 2 45 LYS HG2 . . 3.210 2.199 2.134 2.295 . 0 0 "[ . 1 . 2]" 1
472 2 40 ILE MD 2 45 LYS H . . 4.830 4.465 4.334 4.645 . 0 0 "[ . 1 . 2]" 1
473 2 51 ASN H 2 52 ILE H . . 3.110 2.848 2.798 2.955 . 0 0 "[ . 1 . 2]" 1
474 2 50 VAL H 2 51 ASN H . . 2.910 2.158 2.118 2.306 . 0 0 "[ . 1 . 2]" 1
475 2 51 ASN H 2 51 ASN HA . . 2.560 2.245 2.235 2.258 . 0 0 "[ . 1 . 2]" 1
476 2 48 ALA HA 2 51 ASN H . . 3.700 3.013 2.900 3.200 . 0 0 "[ . 1 . 2]" 1
477 2 49 ASP QB 2 51 ASN H . . 4.570 4.496 4.449 4.555 . 0 0 "[ . 1 . 2]" 1
478 2 51 ASN H 2 51 ASN HB3 . . 4.060 3.744 2.993 3.993 . 0 0 "[ . 1 . 2]" 1
479 2 50 VAL HB 2 51 ASN H . . 4.400 4.417 4.328 4.487 0.087 13 0 "[ . 1 . 2]" 1
480 2 50 VAL MG2 2 51 ASN H . . 3.490 3.125 3.022 3.326 . 0 0 "[ . 1 . 2]" 1
481 2 50 VAL MG1 2 51 ASN H . . 4.550 4.179 4.118 4.259 . 0 0 "[ . 1 . 2]" 1
482 2 51 ASN H 2 52 ILE MG . . 4.470 4.200 4.135 4.402 . 0 0 "[ . 1 . 2]" 1
483 2 51 ASN H 2 51 ASN HD22 . . 5.200 4.177 3.521 5.446 0.246 1 0 "[ . 1 . 2]" 1
484 2 100 ILE HB 2 101 THR H . . 3.450 2.618 2.528 2.640 . 0 0 "[ . 1 . 2]" 1
485 2 21 VAL H 2 22 GLU H . . 3.290 2.812 2.792 2.845 . 0 0 "[ . 1 . 2]" 1
486 2 22 GLU H 2 23 LYS H . . 2.990 2.633 2.609 2.646 . 0 0 "[ . 1 . 2]" 1
487 2 20 PRO HA 2 22 GLU H . . 4.310 4.213 4.164 4.285 . 0 0 "[ . 1 . 2]" 1
488 2 22 GLU H 2 23 LYS HA . . 5.470 5.278 5.259 5.291 . 0 0 "[ . 1 . 2]" 1
489 2 22 GLU H 2 22 GLU HA . . 2.820 2.857 2.852 2.861 0.041 8 0 "[ . 1 . 2]" 1
490 2 22 GLU H 2 25 LYS QE . . 5.380 3.974 3.948 4.035 . 0 0 "[ . 1 . 2]" 1
491 2 20 PRO HB2 2 22 GLU H . . 3.670 2.607 2.540 2.677 . 0 0 "[ . 1 . 2]" 1
492 2 22 GLU H 2 22 GLU QG . . 3.050 2.020 1.992 2.039 . 0 0 "[ . 1 . 2]" 1
493 2 22 GLU H 2 25 LYS HD2 . . 4.820 4.794 4.761 4.822 0.002 10 0 "[ . 1 . 2]" 1
494 2 22 GLU H 2 23 LYS HG2 . . 4.840 4.221 4.152 4.279 . 0 0 "[ . 1 . 2]" 1
495 2 21 VAL MG1 2 22 GLU H . . 3.230 2.466 2.404 2.491 . 0 0 "[ . 1 . 2]" 1
496 2 25 LYS H 2 28 ILE H . . 5.110 4.896 4.838 4.924 . 0 0 "[ . 1 . 2]" 1
497 2 28 ILE H 2 30 THR H . . 4.610 3.928 3.801 4.048 . 0 0 "[ . 1 . 2]" 1
498 2 25 LYS HA 2 28 ILE H . . 3.700 3.395 3.291 3.543 . 0 0 "[ . 1 . 2]" 1
499 2 28 ILE H 2 29 CYS QB . . 4.700 4.326 4.201 4.526 . 0 0 "[ . 1 . 2]" 1
500 2 27 GLU HG3 2 28 ILE H . . 4.560 2.910 2.383 3.002 . 0 0 "[ . 1 . 2]" 1
501 2 27 GLU QB 2 28 ILE H . . 3.650 3.692 3.646 3.712 0.062 13 0 "[ . 1 . 2]" 1
502 2 28 ILE H 2 28 ILE HB . . 2.850 2.280 2.216 2.327 . 0 0 "[ . 1 . 2]" 1
503 2 28 ILE H 2 41 ILE MG . . 4.140 4.033 3.862 4.189 0.049 12 0 "[ . 1 . 2]" 1
504 2 28 ILE H 2 28 ILE MD . . 3.790 3.590 3.533 3.643 . 0 0 "[ . 1 . 2]" 1
505 2 26 GLU H 2 28 ILE H . . 4.700 3.853 3.801 3.929 . 0 0 "[ . 1 . 2]" 1
506 2 28 ILE H 2 29 CYS HA . . 5.100 5.093 5.063 5.138 0.038 5 0 "[ . 1 . 2]" 1
507 2 40 ILE MD 2 49 ASP H . . 5.150 3.255 3.090 3.426 . 0 0 "[ . 1 . 2]" 1
508 2 47 TYR H 2 49 ASP H . . 4.200 3.208 3.002 3.337 . 0 0 "[ . 1 . 2]" 1
509 2 48 ALA H 2 49 ASP H . . 3.400 2.627 2.570 2.683 . 0 0 "[ . 1 . 2]" 1
510 2 46 THR H 2 49 ASP H . . 3.720 3.364 3.302 3.459 . 0 0 "[ . 1 . 2]" 1
511 2 49 ASP H 2 51 ASN H . . 3.910 3.680 3.562 3.831 . 0 0 "[ . 1 . 2]" 1
512 2 49 ASP H 2 50 VAL H . . 3.120 2.551 2.403 2.619 . 0 0 "[ . 1 . 2]" 1
513 2 47 TYR HA 2 49 ASP H . . 4.060 3.793 3.719 3.900 . 0 0 "[ . 1 . 2]" 1
514 2 49 ASP H 2 49 ASP QB . . 3.130 2.186 2.143 2.211 . 0 0 "[ . 1 . 2]" 1
515 2 45 LYS HB2 2 49 ASP H . . 4.090 4.119 4.042 4.231 0.141 18 0 "[ . 1 . 2]" 1
516 2 46 THR MG 2 49 ASP H . . 4.630 4.704 4.652 4.840 0.210 1 0 "[ . 1 . 2]" 1
517 2 49 ASP H 2 50 VAL MG2 . . 4.060 3.798 3.708 3.928 . 0 0 "[ . 1 . 2]" 1
518 2 49 ASP H 2 50 VAL MG1 . . 5.060 4.159 3.939 4.426 . 0 0 "[ . 1 . 2]" 1
519 2 7 GLU H 2 9 ARG H . . 4.460 4.191 4.157 4.232 . 0 0 "[ . 1 . 2]" 1
520 2 5 PHE H 2 7 GLU H . . 4.980 4.421 4.360 4.483 . 0 0 "[ . 1 . 2]" 1
521 2 6 GLU H 2 7 GLU H . . 3.320 2.686 2.629 2.743 . 0 0 "[ . 1 . 2]" 1
522 2 4 GLU HA 2 7 GLU H . . 4.180 3.452 3.318 3.536 . 0 0 "[ . 1 . 2]" 1
523 2 7 GLU H 2 10 LYS QE . . 5.500 5.541 5.507 5.611 0.111 10 0 "[ . 1 . 2]" 1
524 2 6 GLU HB3 2 7 GLU H . . 3.120 2.721 2.630 2.766 . 0 0 "[ . 1 . 2]" 1
525 2 114 GLU HB2 2 115 ALA H . . 3.560 2.635 2.539 2.718 . 0 0 "[ . 1 . 2]" 1
526 2 62 ILE H 2 64 TYR H . . 4.320 4.127 4.052 4.211 . 0 0 "[ . 1 . 2]" 1
527 2 63 LEU H 2 64 TYR H . . 3.510 2.621 2.604 2.657 . 0 0 "[ . 1 . 2]" 1
528 2 64 TYR H 2 67 LYS H . . 5.090 4.959 4.927 5.047 . 0 0 "[ . 1 . 2]" 1
529 2 64 TYR H 2 64 TYR HD2 . . 4.630 4.487 4.399 4.581 . 0 0 "[ . 1 . 2]" 1
530 2 61 VAL HA 2 64 TYR H . . 4.130 3.457 3.371 3.531 . 0 0 "[ . 1 . 2]" 1
531 2 64 TYR H 2 64 TYR QB . . 3.050 2.189 2.174 2.202 . 0 0 "[ . 1 . 2]" 1
532 2 64 TYR H 2 66 MET HB2 . . 5.480 5.165 5.071 5.497 0.017 11 0 "[ . 1 . 2]" 1
533 2 63 LEU HB2 2 64 TYR H . . 3.790 2.832 2.741 2.897 . 0 0 "[ . 1 . 2]" 1
534 2 61 VAL MG1 2 64 TYR H . . 5.350 4.545 4.463 4.613 . 0 0 "[ . 1 . 2]" 1
535 2 64 TYR H 2 65 LEU HG . . 4.210 4.039 3.992 4.112 . 0 0 "[ . 1 . 2]" 1
536 2 37 ILE MD 2 64 TYR H . . 3.910 3.832 3.619 3.989 0.079 15 0 "[ . 1 . 2]" 1
537 2 63 LEU MD2 2 64 TYR H . . 4.910 4.787 4.769 4.811 . 0 0 "[ . 1 . 2]" 1
538 2 98 PHE H 2 99 VAL H . . 3.830 2.816 2.777 2.847 . 0 0 "[ . 1 . 2]" 1
539 2 99 VAL H 2 100 ILE H . . 3.810 2.635 2.608 2.685 . 0 0 "[ . 1 . 2]" 1
540 2 99 VAL H 2 101 THR H . . 4.960 4.261 4.225 4.308 . 0 0 "[ . 1 . 2]" 1
541 2 98 PHE HE1 2 99 VAL H . . 4.940 5.016 4.981 5.031 0.091 9 0 "[ . 1 . 2]" 1
542 2 98 PHE HD1 2 99 VAL H . . 4.100 2.728 2.710 2.750 . 0 0 "[ . 1 . 2]" 1
543 2 99 VAL H 2 100 ILE HA . . 5.500 5.269 5.252 5.302 . 0 0 "[ . 1 . 2]" 1
544 2 99 VAL H 2 101 THR HB . . 5.500 5.611 5.570 5.637 0.137 14 0 "[ . 1 . 2]" 1
545 2 98 PHE HB3 2 99 VAL H . . 3.670 2.799 2.757 2.848 . 0 0 "[ . 1 . 2]" 1
546 2 95 GLN QB 2 99 VAL H . . 5.500 5.260 5.213 5.323 . 0 0 "[ . 1 . 2]" 1
547 2 99 VAL H 2 99 VAL HB . . 3.140 2.313 2.292 2.348 . 0 0 "[ . 1 . 2]" 1
548 2 99 VAL H 2 99 VAL QG . . 3.310 2.278 2.233 2.348 . 0 0 "[ . 1 . 2]" 1
549 2 97 TYR HD2 2 99 VAL H . . 5.500 5.498 5.402 5.591 0.091 16 0 "[ . 1 . 2]" 1
550 2 28 ILE H 2 31 LYS QE . . 5.500 5.250 4.163 5.550 0.050 12 0 "[ . 1 . 2]" 1
551 2 76 ILE H 2 77 LEU HA . . 5.400 5.262 5.202 5.323 . 0 0 "[ . 1 . 2]" 1
552 2 76 ILE H 2 77 LEU H . . 3.410 2.649 2.571 2.742 . 0 0 "[ . 1 . 2]" 1
553 2 75 LYS H 2 76 ILE H . . 3.290 2.444 2.338 2.535 . 0 0 "[ . 1 . 2]" 1
554 2 74 ASP HA 2 76 ILE H . . 5.070 4.615 4.508 4.816 . 0 0 "[ . 1 . 2]" 1
555 2 76 ILE H 2 76 ILE HB . . 3.240 2.313 2.255 2.383 . 0 0 "[ . 1 . 2]" 1
556 2 76 ILE H 2 76 ILE HG12 . . 3.350 2.345 2.175 2.478 . 0 0 "[ . 1 . 2]" 1
557 2 76 ILE H 2 76 ILE MD . . 3.840 3.609 3.423 3.762 . 0 0 "[ . 1 . 2]" 1
558 2 76 ILE H 2 102 LEU QD . . 5.120 5.032 4.812 5.129 0.009 17 0 "[ . 1 . 2]" 1
559 2 66 MET H 2 68 HIS H . . 4.430 3.972 3.855 4.064 . 0 0 "[ . 1 . 2]" 1
560 2 67 LYS H 2 68 HIS H . . 3.250 2.511 2.430 2.531 . 0 0 "[ . 1 . 2]" 1
561 2 65 LEU HA 2 68 HIS H . . 3.730 3.189 3.124 3.286 . 0 0 "[ . 1 . 2]" 1
562 2 68 HIS H 2 68 HIS HB2 . . 3.260 2.228 2.144 2.272 . 0 0 "[ . 1 . 2]" 1
563 2 22 GLU H 2 25 LYS H . . 5.460 5.452 5.407 5.496 0.036 11 0 "[ . 1 . 2]" 1
564 2 25 LYS H 2 27 GLU H . . 4.520 4.381 4.331 4.414 . 0 0 "[ . 1 . 2]" 1
565 2 25 LYS H 2 26 GLU H . . 3.090 2.531 2.503 2.548 . 0 0 "[ . 1 . 2]" 1
566 2 25 LYS H 2 25 LYS HA . . 2.890 2.903 2.896 2.910 0.020 16 0 "[ . 1 . 2]" 1
567 2 25 LYS H 2 25 LYS QE . . 4.300 2.601 2.540 2.649 . 0 0 "[ . 1 . 2]" 1
568 2 25 LYS H 2 26 GLU QB . . 4.490 4.263 4.231 4.299 . 0 0 "[ . 1 . 2]" 1
569 2 25 LYS H 2 25 LYS HD2 . . 2.870 1.785 1.766 1.810 . 0 0 "[ . 1 . 2]" 1
570 2 24 ILE MG 2 25 LYS H . . 2.950 2.863 2.798 2.893 . 0 0 "[ . 1 . 2]" 1
571 2 25 LYS H 2 28 ILE MD . . 4.470 4.456 4.385 4.500 0.030 18 0 "[ . 1 . 2]" 1
572 2 24 ILE H 2 25 LYS H . . 3.140 2.765 2.744 2.792 . 0 0 "[ . 1 . 2]" 1
573 2 23 LYS H 2 25 LYS H . . 4.550 4.438 4.393 4.493 . 0 0 "[ . 1 . 2]" 1
574 2 24 ILE HB 2 25 LYS H . . 3.010 2.808 2.749 2.847 . 0 0 "[ . 1 . 2]" 1
575 2 25 LYS H 2 25 LYS HB3 . . 2.990 2.558 2.536 2.586 . 0 0 "[ . 1 . 2]" 1
576 2 25 LYS H 2 25 LYS HG2 . . 3.360 3.353 3.312 3.383 0.023 9 0 "[ . 1 . 2]" 1
577 2 64 TYR HD2 2 68 HIS H . . 5.500 5.537 5.499 5.588 0.088 15 0 "[ . 1 . 2]" 1
578 2 110 LYS H 2 111 LYS H . . 3.210 2.631 2.592 2.657 . 0 0 "[ . 1 . 2]" 1
579 2 111 LYS H 2 113 LEU H . . 3.990 4.027 3.991 4.048 0.058 17 0 "[ . 1 . 2]" 1
580 2 111 LYS H 2 112 TYR HD2 . . 5.500 5.555 5.528 5.571 0.071 2 0 "[ . 1 . 2]" 1
581 2 111 LYS H 2 112 TYR HA . . 5.200 5.026 4.999 5.043 . 0 0 "[ . 1 . 2]" 1
582 2 108 VAL HA 2 111 LYS H . . 3.980 3.940 3.785 4.059 0.079 20 0 "[ . 1 . 2]" 1
583 2 109 VAL HB 2 111 LYS H . . 5.500 5.234 5.024 5.716 0.216 19 0 "[ . 1 . 2]" 1
584 2 111 LYS H 2 114 GLU HB3 . . 5.500 4.854 4.798 4.907 . 0 0 "[ . 1 . 2]" 1
585 2 111 LYS H 2 111 LYS QB . . 2.630 2.527 2.477 2.573 . 0 0 "[ . 1 . 2]" 1
586 2 111 LYS H 2 111 LYS QG . . 3.000 2.178 2.120 2.289 . 0 0 "[ . 1 . 2]" 1
587 2 110 LYS HG3 2 111 LYS H . . 3.520 2.780 2.701 2.914 . 0 0 "[ . 1 . 2]" 1
588 2 110 LYS QB 2 111 LYS H . . 3.610 3.617 3.590 3.645 0.035 7 0 "[ . 1 . 2]" 1
589 2 41 ILE H 2 41 ILE HB . . 3.070 2.368 2.302 2.437 . 0 0 "[ . 1 . 2]" 1
590 2 40 ILE HB 2 41 ILE H . . 3.280 2.852 2.804 2.896 . 0 0 "[ . 1 . 2]" 1
591 2 28 ILE MG 2 41 ILE H . . 4.660 4.309 4.017 4.434 . 0 0 "[ . 1 . 2]" 1
592 2 37 ILE MD 2 41 ILE H . . 4.650 4.578 3.980 4.761 0.111 10 0 "[ . 1 . 2]" 1
593 2 40 ILE H 2 41 ILE H . . 3.390 2.570 2.352 2.662 . 0 0 "[ . 1 . 2]" 1
594 2 41 ILE H 2 41 ILE QG . . 3.030 2.385 2.302 2.455 . 0 0 "[ . 1 . 2]" 1
595 2 40 ILE H 2 40 ILE MG . . 3.870 3.724 3.707 3.748 . 0 0 "[ . 1 . 2]" 1
596 2 74 ASP HA 2 77 LEU H . . 4.210 3.857 3.626 4.182 . 0 0 "[ . 1 . 2]" 1
597 2 76 ILE HB 2 77 LEU H . . 3.410 2.815 2.597 2.998 . 0 0 "[ . 1 . 2]" 1
598 2 77 LEU H 2 77 LEU QB . . 2.750 2.237 2.206 2.284 . 0 0 "[ . 1 . 2]" 1
599 2 77 LEU H 2 102 LEU QD . . 5.500 5.061 4.915 5.160 . 0 0 "[ . 1 . 2]" 1
600 2 77 LEU H 2 77 LEU QD . . 4.600 3.712 3.651 3.760 . 0 0 "[ . 1 . 2]" 1
601 2 43 GLU H 2 44 ASN H . . 4.810 4.434 4.412 4.466 . 0 0 "[ . 1 . 2]" 1
602 2 43 GLU H 2 43 GLU HB3 . . 4.040 2.889 2.794 2.957 . 0 0 "[ . 1 . 2]" 1
603 2 39 GLU HA 2 43 GLU H . . 5.500 4.625 4.236 5.084 . 0 0 "[ . 1 . 2]" 1
604 2 39 GLU HA 2 42 CYS H . . 4.540 3.453 2.980 3.846 . 0 0 "[ . 1 . 2]" 1
605 2 41 ILE H 2 42 CYS H . . 2.980 2.441 2.296 2.543 . 0 0 "[ . 1 . 2]" 1
606 2 40 ILE H 2 42 CYS H . . 5.500 3.904 3.728 3.988 . 0 0 "[ . 1 . 2]" 1
607 2 41 ILE HB 2 42 CYS H . . 3.040 3.028 2.937 3.095 0.055 9 0 "[ . 1 . 2]" 1
608 2 40 ILE HB 2 42 CYS H . . 4.930 5.007 4.974 5.044 0.114 6 0 "[ . 1 . 2]" 1
609 2 41 ILE QG 2 42 CYS H . . 4.300 4.262 4.195 4.323 0.023 9 0 "[ . 1 . 2]" 1
610 2 28 ILE MG 2 42 CYS H . . 4.770 4.705 4.274 4.817 0.047 6 0 "[ . 1 . 2]" 1
611 2 40 ILE H 2 40 ILE HB . . 3.390 2.345 2.306 2.392 . 0 0 "[ . 1 . 2]" 1
612 2 39 GLU QG 2 40 ILE H . . 4.680 4.070 3.727 4.291 . 0 0 "[ . 1 . 2]" 1
613 2 74 ASP H 2 77 LEU H . . 4.850 4.734 4.645 4.830 . 0 0 "[ . 1 . 2]" 1
614 2 74 ASP H 2 76 ILE H . . 4.580 3.990 3.913 4.095 . 0 0 "[ . 1 . 2]" 1
615 2 74 ASP H 2 75 LYS H . . 2.940 2.589 2.481 2.714 . 0 0 "[ . 1 . 2]" 1
616 2 72 ASP HA 2 74 ASP H . . 4.640 4.117 3.976 4.390 . 0 0 "[ . 1 . 2]" 1
617 2 73 PRO QD 2 74 ASP H . . 3.710 2.875 2.662 3.025 . 0 0 "[ . 1 . 2]" 1
618 2 74 ASP H 2 74 ASP HB3 . . 3.660 3.027 2.299 3.601 . 0 0 "[ . 1 . 2]" 1
619 2 73 PRO QB 2 74 ASP H . . 4.070 3.111 2.716 3.396 . 0 0 "[ . 1 . 2]" 1
620 2 87 LYS H 2 88 GLU H . . 3.980 1.886 1.832 2.012 . 0 0 "[ . 1 . 2]" 1
621 2 85 LYS HA 2 87 LYS H . . 4.510 3.526 3.366 3.826 . 0 0 "[ . 1 . 2]" 1
622 2 77 LEU H 2 78 GLU H . . 3.330 2.448 2.316 2.563 . 0 0 "[ . 1 . 2]" 1
623 2 76 ILE H 2 78 GLU H . . 4.660 4.035 3.878 4.122 . 0 0 "[ . 1 . 2]" 1
624 2 78 GLU H 2 79 LEU H . . 3.100 2.476 2.378 2.550 . 0 0 "[ . 1 . 2]" 1
625 2 75 LYS HA 2 78 GLU H . . 4.010 3.546 3.271 3.828 . 0 0 "[ . 1 . 2]" 1
626 2 77 LEU QD 2 78 GLU H . . 4.730 4.177 4.113 4.272 . 0 0 "[ . 1 . 2]" 1
627 2 78 GLU H 2 78 GLU HB3 . . 2.970 2.343 2.311 2.425 . 0 0 "[ . 1 . 2]" 1
628 2 76 ILE HB 2 78 GLU H . . 5.260 5.006 4.779 5.134 . 0 0 "[ . 1 . 2]" 1
629 2 78 GLU H 2 79 LEU QD . . 5.500 4.406 4.348 4.449 . 0 0 "[ . 1 . 2]" 1
630 2 81 PRO HA 2 82 ARG H . . 2.840 2.325 2.268 2.453 . 0 0 "[ . 1 . 2]" 1
631 2 46 THR HB 2 82 ARG H . . 5.450 5.449 5.239 5.571 0.121 15 0 "[ . 1 . 2]" 1
632 2 82 ARG H 2 82 ARG QD . . 3.690 2.072 1.648 3.258 . 0 0 "[ . 1 . 2]" 1
633 2 81 PRO HB3 2 82 ARG H . . 3.920 3.659 3.517 3.722 . 0 0 "[ . 1 . 2]" 1
634 2 81 PRO HB2 2 82 ARG H . . 2.950 2.858 2.505 2.991 0.041 13 0 "[ . 1 . 2]" 1
635 2 82 ARG H 2 82 ARG HB3 . . 3.070 2.591 2.433 2.965 . 0 0 "[ . 1 . 2]" 1
636 2 13 VAL H 2 15 ARG H . . 4.440 3.915 3.861 4.052 . 0 0 "[ . 1 . 2]" 1
637 2 12 LEU H 2 15 ARG H . . 5.270 4.851 4.813 5.048 . 0 0 "[ . 1 . 2]" 1
638 2 15 ARG H 2 16 ASP HA . . 4.750 4.792 4.672 4.849 0.099 7 0 "[ . 1 . 2]" 1
639 2 14 LYS HA 2 15 ARG H . . 3.460 3.484 3.462 3.505 0.045 20 0 "[ . 1 . 2]" 1
640 2 11 GLU HA 2 15 ARG H . . 4.840 4.466 4.368 4.566 . 0 0 "[ . 1 . 2]" 1
641 2 12 LEU HA 2 15 ARG H . . 3.830 3.501 3.436 3.678 . 0 0 "[ . 1 . 2]" 1
642 2 15 ARG H 2 16 ASP QB . . 4.030 3.940 3.846 3.980 . 0 0 "[ . 1 . 2]" 1
643 2 15 ARG H 2 15 ARG QB . . 3.130 2.350 2.295 2.594 . 0 0 "[ . 1 . 2]" 1
644 2 14 LYS QB 2 15 ARG H . . 3.930 3.699 3.640 3.746 . 0 0 "[ . 1 . 2]" 1
645 2 15 ARG H 2 15 ARG QG . . 2.900 2.584 2.351 2.650 . 0 0 "[ . 1 . 2]" 1
646 2 14 LYS HG2 2 15 ARG H . . 4.070 4.049 3.965 4.098 0.028 9 0 "[ . 1 . 2]" 1
647 2 12 LEU QD 2 15 ARG H . . 5.230 4.832 4.769 4.978 . 0 0 "[ . 1 . 2]" 1
648 2 10 LYS H 2 12 LEU QD . . 5.390 5.149 5.088 5.195 . 0 0 "[ . 1 . 2]" 1
649 2 10 LYS H 2 12 LEU H . . 4.270 3.993 3.943 4.031 . 0 0 "[ . 1 . 2]" 1
650 2 8 LEU H 2 10 LYS H . . 4.360 3.924 3.851 3.958 . 0 0 "[ . 1 . 2]" 1
651 2 7 GLU HA 2 10 LYS H . . 3.680 3.559 3.500 3.621 . 0 0 "[ . 1 . 2]" 1
652 2 10 LYS H 2 11 GLU QB . . 4.570 4.417 4.369 4.490 . 0 0 "[ . 1 . 2]" 1
653 2 10 LYS H 2 10 LYS HB3 . . 3.010 2.329 2.307 2.356 . 0 0 "[ . 1 . 2]" 1
654 2 9 ARG HB2 2 10 LYS H . . 4.170 4.081 4.046 4.123 . 0 0 "[ . 1 . 2]" 1
655 2 29 CYS H 2 29 CYS QB . . 3.230 2.273 2.206 2.369 . 0 0 "[ . 1 . 2]" 1
656 2 26 GLU QB 2 29 CYS H . . 5.400 5.128 5.004 5.247 . 0 0 "[ . 1 . 2]" 1
657 2 27 GLU HG3 2 29 CYS H . . 5.500 5.199 4.832 5.283 . 0 0 "[ . 1 . 2]" 1
658 2 28 ILE HB 2 29 CYS H . . 3.660 2.841 2.702 3.009 . 0 0 "[ . 1 . 2]" 1
659 2 29 CYS H 2 41 ILE MG . . 4.330 3.757 3.342 4.047 . 0 0 "[ . 1 . 2]" 1
660 2 28 ILE MG 2 29 CYS H . . 3.520 3.303 3.199 3.534 0.014 19 0 "[ . 1 . 2]" 1
661 2 59 TRP QB 2 60 HIS H . . 3.810 2.570 2.502 2.606 . 0 0 "[ . 1 . 2]" 1
662 2 60 HIS H 2 60 HIS HB2 . . 3.680 2.331 2.300 2.363 . 0 0 "[ . 1 . 2]" 1
663 2 60 HIS H 2 60 HIS HB3 . . 3.680 3.556 3.537 3.574 . 0 0 "[ . 1 . 2]" 1
664 2 60 HIS H 2 61 VAL HB . . 5.060 4.722 4.654 4.795 . 0 0 "[ . 1 . 2]" 1
665 2 52 ILE MD 2 60 HIS H . . 5.360 4.844 4.641 5.156 . 0 0 "[ . 1 . 2]" 1
666 2 31 LYS HB2 2 32 SER H . . 4.770 3.478 3.319 3.626 . 0 0 "[ . 1 . 2]" 1
667 2 54 ARG H 2 55 SER H . . 4.290 2.731 2.696 2.816 . 0 0 "[ . 1 . 2]" 1
668 2 55 SER H 2 57 GLY H . . 4.780 3.957 3.887 4.044 . 0 0 "[ . 1 . 2]" 1
669 2 43 GLU HB3 2 44 ASN H . . 5.020 3.621 3.540 3.706 . 0 0 "[ . 1 . 2]" 1
670 2 44 ASN H 2 45 LYS HG2 . . 5.220 3.929 3.872 4.063 . 0 0 "[ . 1 . 2]" 1
671 2 82 ARG HA 2 84 SER H . . 4.780 3.607 3.451 3.777 . 0 0 "[ . 1 . 2]" 1
672 2 82 ARG H 2 84 SER H . . 4.740 4.255 4.201 4.339 . 0 0 "[ . 1 . 2]" 1
673 2 84 SER H 2 86 ALA H . . 5.410 4.811 4.657 4.960 . 0 0 "[ . 1 . 2]" 1
674 2 84 SER H 2 84 SER QB . . 3.620 2.286 2.233 2.399 . 0 0 "[ . 1 . 2]" 1
675 2 81 PRO HB3 2 84 SER H . . 5.500 4.781 4.638 5.151 . 0 0 "[ . 1 . 2]" 1
676 2 46 THR MG 2 84 SER H . . 5.200 5.215 4.882 5.284 0.084 19 0 "[ . 1 . 2]" 1
677 2 102 LEU H 2 103 SER H . . 3.280 2.548 2.501 2.573 . 0 0 "[ . 1 . 2]" 1
678 2 103 SER H 2 104 LYS H . . 3.480 2.690 2.640 2.726 . 0 0 "[ . 1 . 2]" 1
679 2 101 THR H 2 103 SER H . . 4.430 4.030 3.998 4.065 . 0 0 "[ . 1 . 2]" 1
680 2 103 SER H 2 103 SER HA . . 2.850 2.855 2.839 2.867 0.017 8 0 "[ . 1 . 2]" 1
681 2 103 SER H 2 104 LYS QB . . 5.100 4.650 4.437 4.712 . 0 0 "[ . 1 . 2]" 1
682 2 102 LEU QB 2 103 SER H . . 3.410 2.879 2.816 2.939 . 0 0 "[ . 1 . 2]" 1
683 2 8 LEU QD 2 103 SER H . . 4.370 2.928 2.825 3.043 . 0 0 "[ . 1 . 2]" 1
684 2 99 VAL QG 2 103 SER H . . 4.420 4.191 4.088 4.237 . 0 0 "[ . 1 . 2]" 1
685 2 102 LEU QD 2 103 SER H . . 3.950 3.965 3.952 3.990 0.040 2 0 "[ . 1 . 2]" 1
686 2 82 ARG H 2 83 ASP H . . 3.490 2.564 2.505 2.636 . 0 0 "[ . 1 . 2]" 1
687 2 83 ASP H 2 84 SER H . . 3.400 2.475 2.365 2.552 . 0 0 "[ . 1 . 2]" 1
688 2 81 PRO HA 2 83 ASP H . . 4.320 3.736 3.643 4.025 . 0 0 "[ . 1 . 2]" 1
689 2 46 THR HB 2 83 ASP H . . 5.500 5.586 5.527 5.664 0.164 1 0 "[ . 1 . 2]" 1
690 2 83 ASP H 2 84 SER QB . . 4.520 4.174 4.106 4.216 . 0 0 "[ . 1 . 2]" 1
691 2 81 PRO HB3 2 83 ASP H . . 4.340 3.682 3.575 3.895 . 0 0 "[ . 1 . 2]" 1
692 2 81 PRO HB2 2 83 ASP H . . 3.440 1.936 1.812 2.125 . 0 0 "[ . 1 . 2]" 1
693 2 82 ARG HB3 2 83 ASP H . . 4.490 4.299 4.175 4.502 0.012 4 0 "[ . 1 . 2]" 1
694 2 82 ARG HG3 2 83 ASP H . . 4.680 4.293 3.143 4.710 0.030 14 0 "[ . 1 . 2]" 1
695 2 46 THR MG 2 83 ASP H . . 4.500 3.873 3.741 3.979 . 0 0 "[ . 1 . 2]" 1
696 2 44 ASN HA 2 44 ASN HD21 . . 4.280 4.337 4.099 4.389 0.109 16 0 "[ . 1 . 2]" 1
697 2 107 SER H 2 110 LYS H . . 5.150 4.911 4.857 4.978 . 0 0 "[ . 1 . 2]" 1
698 2 12 LEU QD 2 107 SER H . . 5.500 5.507 5.455 5.549 0.049 11 0 "[ . 1 . 2]" 1
699 2 105 ALA H 2 107 SER H . . 4.380 4.108 3.989 4.236 . 0 0 "[ . 1 . 2]" 1
700 2 106 TRP H 2 107 SER H . . 3.180 2.497 2.450 2.535 . 0 0 "[ . 1 . 2]" 1
701 2 107 SER H 2 109 VAL H . . 4.340 4.162 4.096 4.222 . 0 0 "[ . 1 . 2]" 1
702 2 107 SER H 2 108 VAL H . . 3.350 2.606 2.554 2.662 . 0 0 "[ . 1 . 2]" 1
703 2 107 SER H 2 107 SER HA . . 2.910 2.864 2.849 2.880 . 0 0 "[ . 1 . 2]" 1
704 2 105 ALA HA 2 107 SER H . . 4.730 4.475 4.409 4.616 . 0 0 "[ . 1 . 2]" 1
705 2 106 TRP HB2 2 107 SER H . . 4.030 4.120 4.096 4.140 0.110 2 0 "[ . 1 . 2]" 1
706 2 107 SER H 2 108 VAL HB . . 5.130 4.693 4.520 4.917 . 0 0 "[ . 1 . 2]" 1
707 2 104 LYS QB 2 107 SER H . . 4.980 4.941 4.901 5.018 0.038 11 0 "[ . 1 . 2]" 1
708 2 107 SER H 2 108 VAL QG . . 4.300 4.037 3.967 4.090 . 0 0 "[ . 1 . 2]" 1
709 2 105 ALA MB 2 107 SER H . . 4.910 4.537 4.474 4.639 . 0 0 "[ . 1 . 2]" 1
710 2 8 LEU QD 2 107 SER H . . 4.930 4.419 4.348 4.490 . 0 0 "[ . 1 . 2]" 1
711 2 63 LEU MD2 2 107 SER H . . 5.500 5.290 5.212 5.383 . 0 0 "[ . 1 . 2]" 1
712 2 44 ASN HA 2 44 ASN HD22 . . 4.280 3.905 3.344 4.093 . 0 0 "[ . 1 . 2]" 1
713 2 51 ASN HD22 2 52 ILE H . . 5.150 5.122 4.573 5.304 0.154 1 0 "[ . 1 . 2]" 1
714 2 51 ASN HA 2 51 ASN HD22 . . 4.420 3.532 2.084 4.193 . 0 0 "[ . 1 . 2]" 1
715 2 16 ASP H 2 18 GLY H . . 5.500 5.268 5.159 5.411 . 0 0 "[ . 1 . 2]" 1
716 2 18 GLY H 2 19 LYS HA . . 5.020 5.136 5.082 5.177 0.157 1 0 "[ . 1 . 2]" 1
717 2 18 GLY H 2 19 LYS QB . . 4.690 4.571 4.467 4.723 0.033 13 0 "[ . 1 . 2]" 1
718 2 17 SER H 2 18 GLY H . . 3.680 2.423 2.278 2.492 . 0 0 "[ . 1 . 2]" 1
719 2 18 GLY H 2 19 LYS QE . . 4.920 4.767 4.517 4.975 0.055 19 0 "[ . 1 . 2]" 1
720 2 16 ASP QB 2 18 GLY H . . 3.940 3.258 3.110 3.454 . 0 0 "[ . 1 . 2]" 1
721 2 18 GLY H 2 19 LYS QG . . 5.300 4.273 3.876 5.166 . 0 0 "[ . 1 . 2]" 1
722 2 49 ASP QB 2 50 VAL H . . 3.170 2.791 2.727 2.893 . 0 0 "[ . 1 . 2]" 1
723 2 46 THR H 2 50 VAL H . . 5.350 5.420 5.356 5.475 0.125 4 0 "[ . 1 . 2]" 1
724 2 47 TYR HA 2 50 VAL H . . 3.760 3.503 3.417 3.566 . 0 0 "[ . 1 . 2]" 1
725 2 48 ALA HA 2 50 VAL H . . 4.250 4.051 3.921 4.142 . 0 0 "[ . 1 . 2]" 1
726 2 50 VAL H 2 50 VAL HB . . 3.780 3.751 3.707 3.785 0.005 6 0 "[ . 1 . 2]" 1
727 2 50 VAL H 2 50 VAL MG1 . . 3.130 2.626 2.541 2.804 . 0 0 "[ . 1 . 2]" 1
728 2 50 VAL H 2 52 ILE MG . . 4.300 3.885 3.820 3.931 . 0 0 "[ . 1 . 2]" 1
729 2 95 GLN H 2 95 GLN HE22 . . 5.290 4.646 4.576 4.817 . 0 0 "[ . 1 . 2]" 1
730 2 95 GLN HE22 2 95 GLN QG . . 3.360 2.313 2.304 2.320 . 0 0 "[ . 1 . 2]" 1
731 2 95 GLN QB 2 95 GLN HE22 . . 4.570 3.966 3.961 3.972 . 0 0 "[ . 1 . 2]" 1
732 2 95 GLN HE22 2 96 LYS QB . . 4.750 4.010 3.819 4.118 . 0 0 "[ . 1 . 2]" 1
733 2 70 VAL H 2 71 THR H . . 4.640 2.619 2.328 2.828 . 0 0 "[ . 1 . 2]" 1
734 2 16 ASP H 2 71 THR H . . 5.090 5.237 5.197 5.277 0.187 4 0 "[ . 1 . 2]" 1
735 2 16 ASP HA 2 71 THR H . . 3.980 3.197 3.070 3.288 . 0 0 "[ . 1 . 2]" 1
736 2 70 VAL HA 2 71 THR H . . 2.940 2.986 2.889 3.018 0.078 5 0 "[ . 1 . 2]" 1
737 2 66 MET HA 2 71 THR H . . 4.260 3.470 3.385 3.640 . 0 0 "[ . 1 . 2]" 1
738 2 16 ASP QB 2 71 THR H . . 4.550 4.365 4.194 4.485 . 0 0 "[ . 1 . 2]" 1
739 2 71 THR H 2 71 THR MG . . 3.070 1.942 1.839 2.026 . 0 0 "[ . 1 . 2]" 1
740 2 12 LEU QD 2 71 THR H . . 5.450 4.785 4.708 4.852 . 0 0 "[ . 1 . 2]" 1
741 2 29 CYS H 2 30 THR H . . 3.250 2.570 2.505 2.638 . 0 0 "[ . 1 . 2]" 1
742 2 30 THR H 2 31 LYS H . . 2.880 2.361 2.052 2.485 . 0 0 "[ . 1 . 2]" 1
743 2 26 GLU HA 2 30 THR H . . 5.040 4.558 4.295 5.120 0.080 15 0 "[ . 1 . 2]" 1
744 2 27 GLU HA 2 30 THR H . . 4.380 3.738 3.572 3.925 . 0 0 "[ . 1 . 2]" 1
745 2 29 CYS QB 2 30 THR H . . 3.610 3.124 2.934 3.462 . 0 0 "[ . 1 . 2]" 1
746 2 30 THR H 2 31 LYS QD . . 5.500 5.199 4.866 5.592 0.092 5 0 "[ . 1 . 2]" 1
747 2 28 ILE HA 2 30 THR H . . 4.420 4.070 3.650 4.225 . 0 0 "[ . 1 . 2]" 1
748 2 27 GLU QB 2 30 THR H . . 5.500 5.168 4.956 5.313 . 0 0 "[ . 1 . 2]" 1
749 2 30 THR H 2 30 THR MG . . 3.010 2.153 2.008 2.253 . 0 0 "[ . 1 . 2]" 1
750 2 28 ILE MG 2 30 THR H . . 4.680 4.674 4.538 4.740 0.060 20 0 "[ . 1 . 2]" 1
751 2 57 GLY H 2 58 ASP H . . 4.010 2.710 2.671 2.770 . 0 0 "[ . 1 . 2]" 1
752 2 54 ARG HA 2 57 GLY H . . 5.470 3.229 3.039 3.467 . 0 0 "[ . 1 . 2]" 1
753 2 56 ARG HB2 2 57 GLY H . . 4.220 3.015 2.909 3.126 . 0 0 "[ . 1 . 2]" 1
754 2 52 ILE MD 2 57 GLY H . . 4.190 3.651 3.552 3.879 . 0 0 "[ . 1 . 2]" 1
755 2 40 ILE HA 2 46 THR H . . 5.070 4.964 4.801 5.079 0.009 9 0 "[ . 1 . 2]" 1
756 2 46 THR H 2 49 ASP QB . . 4.190 3.922 3.811 4.024 . 0 0 "[ . 1 . 2]" 1
757 2 45 LYS HE2 2 46 THR H . . 5.500 4.462 4.031 5.534 0.034 18 0 "[ . 1 . 2]" 1
758 2 45 LYS HB2 2 46 THR H . . 3.660 3.353 3.261 3.554 . 0 0 "[ . 1 . 2]" 1
759 2 46 THR H 2 48 ALA MB . . 3.990 3.712 3.610 3.822 . 0 0 "[ . 1 . 2]" 1
760 2 46 THR H 2 50 VAL MG2 . . 5.430 5.425 5.325 5.463 0.033 14 0 "[ . 1 . 2]" 1
761 2 40 ILE MG 2 46 THR H . . 4.660 4.251 4.080 4.523 . 0 0 "[ . 1 . 2]" 1
762 2 46 THR H 2 46 THR HB . . 3.790 3.577 3.240 3.632 . 0 0 "[ . 1 . 2]" 1
763 2 66 MET H 2 69 GLY H . . 5.500 4.943 4.830 5.139 . 0 0 "[ . 1 . 2]" 1
764 2 69 GLY H 2 70 VAL H . . 2.920 2.555 2.523 2.614 . 0 0 "[ . 1 . 2]" 1
765 2 67 LYS H 2 69 GLY H . . 4.150 3.877 3.808 3.987 . 0 0 "[ . 1 . 2]" 1
766 2 68 HIS H 2 69 GLY H . . 3.150 2.532 2.473 2.639 . 0 0 "[ . 1 . 2]" 1
767 2 68 HIS HA 2 69 GLY H . . 3.510 3.402 3.366 3.423 . 0 0 "[ . 1 . 2]" 1
768 2 66 MET HA 2 69 GLY H . . 3.950 3.369 3.250 3.625 . 0 0 "[ . 1 . 2]" 1
769 2 68 HIS HB2 2 69 GLY H . . 4.070 3.513 3.424 3.665 . 0 0 "[ . 1 . 2]" 1
770 2 16 ASP QB 2 72 ASP H . . 5.500 5.259 5.180 5.355 . 0 0 "[ . 1 . 2]" 1
771 2 16 ASP QB 2 72 ASP HA . . 4.920 4.043 3.908 4.322 . 0 0 "[ . 1 . 2]" 1
772 2 13 VAL MG2 2 16 ASP QB . . 4.640 3.685 3.609 3.732 . 0 0 "[ . 1 . 2]" 1
773 2 16 ASP QB 2 71 THR MG . . 4.190 3.536 3.214 3.641 . 0 0 "[ . 1 . 2]" 1
774 2 98 PHE HE1 2 102 LEU QB . . 5.190 3.597 3.520 3.670 . 0 0 "[ . 1 . 2]" 1
775 2 15 ARG HD3 2 106 TRP HZ2 . . 4.070 4.056 3.968 4.309 0.239 5 0 "[ . 1 . 2]" 1
776 2 79 LEU HB3 2 79 LEU QD . . 2.930 2.147 2.134 2.167 . 0 0 "[ . 1 . 2]" 1
777 2 78 GLU H 2 79 LEU HB3 . . 5.310 4.762 4.572 4.913 . 0 0 "[ . 1 . 2]" 1
778 2 101 THR HB 2 102 LEU QB . . 4.680 4.375 4.331 4.398 . 0 0 "[ . 1 . 2]" 1
779 2 45 LYS HE3 2 46 THR H . . 5.500 5.261 4.329 5.575 0.075 3 0 "[ . 1 . 2]" 1
780 2 72 ASP H 2 72 ASP HB3 . . 3.970 3.062 2.962 3.715 . 0 0 "[ . 1 . 2]" 1
781 2 110 LYS HA 2 113 LEU QB . . 4.310 4.326 4.289 4.347 0.037 18 0 "[ . 1 . 2]" 1
782 2 113 LEU QB 2 113 LEU QD . . 2.860 1.885 1.878 1.893 . 0 0 "[ . 1 . 2]" 1
783 2 112 TYR H 2 113 LEU QB . . 4.980 4.859 4.822 4.893 . 0 0 "[ . 1 . 2]" 1
784 2 51 ASN H 2 52 ILE HB . . 5.500 5.070 4.963 5.171 . 0 0 "[ . 1 . 2]" 1
785 2 52 ILE HB 2 57 GLY H . . 5.500 5.537 5.505 5.577 0.077 6 0 "[ . 1 . 2]" 1
786 2 45 LYS HG2 2 49 ASP QB . . 4.230 3.712 3.623 3.816 . 0 0 "[ . 1 . 2]" 1
787 2 48 ALA MB 2 49 ASP QB . . 4.340 4.058 3.927 4.125 . 0 0 "[ . 1 . 2]" 1
788 2 19 LYS QG 2 23 LYS QE . . 4.770 4.702 3.942 4.803 0.033 15 0 "[ . 1 . 2]" 1
789 2 14 LYS QE 2 15 ARG HA . . 5.500 4.702 3.790 5.395 . 0 0 "[ . 1 . 2]" 1
790 2 23 LYS QE 2 27 GLU HA . . 5.350 5.386 5.198 5.427 0.077 4 0 "[ . 1 . 2]" 1
791 2 10 LYS QD 2 10 LYS QE . . 2.400 2.104 2.016 2.122 . 0 0 "[ . 1 . 2]" 1
792 2 10 LYS QE 2 10 LYS HG3 . . 3.310 2.549 2.419 3.038 . 0 0 "[ . 1 . 2]" 1
793 2 10 LYS H 2 10 LYS QE . . 4.220 3.727 3.645 3.886 . 0 0 "[ . 1 . 2]" 1
794 2 22 GLU HA 2 25 LYS QE . . 3.220 2.250 2.139 2.323 . 0 0 "[ . 1 . 2]" 1
795 2 111 LYS H 2 111 LYS QE . . 5.000 3.983 3.497 4.696 . 0 0 "[ . 1 . 2]" 1
796 2 111 LYS QE 2 111 LYS QG . . 2.930 2.459 2.332 2.860 . 0 0 "[ . 1 . 2]" 1
797 2 63 LEU HB2 2 63 LEU MD1 . . 3.610 2.313 2.285 2.352 . 0 0 "[ . 1 . 2]" 1
798 2 45 LYS H 2 49 ASP QB . . 5.500 4.788 4.631 4.950 . 0 0 "[ . 1 . 2]" 1
799 2 46 THR HA 2 49 ASP QB . . 5.330 5.352 5.041 5.439 0.109 18 0 "[ . 1 . 2]" 1
800 2 49 ASP QB 2 50 VAL MG1 . . 4.220 2.714 2.400 3.026 . 0 0 "[ . 1 . 2]" 1
801 2 31 LYS H 2 31 LYS QE . . 5.150 4.517 3.844 4.753 . 0 0 "[ . 1 . 2]" 1
802 2 106 TRP HZ2 2 110 LYS QE . . 4.930 3.955 3.079 5.092 0.162 6 0 "[ . 1 . 2]" 1
803 2 106 TRP HD1 2 110 LYS QE . . 4.800 4.088 3.558 4.879 0.079 5 0 "[ . 1 . 2]" 1
804 2 110 LYS QE 2 110 LYS HG2 . . 3.520 3.182 2.506 3.526 0.006 3 0 "[ . 1 . 2]" 1
805 2 74 ASP H 2 77 LEU QB . . 5.500 4.987 4.823 5.121 . 0 0 "[ . 1 . 2]" 1
806 2 76 ILE H 2 77 LEU QB . . 4.650 4.403 4.310 4.497 . 0 0 "[ . 1 . 2]" 1
807 2 77 LEU QB 2 98 PHE HD2 . . 4.380 3.423 3.079 3.650 . 0 0 "[ . 1 . 2]" 1
808 2 77 LEU QB 2 78 GLU H . . 3.350 2.910 2.840 3.014 . 0 0 "[ . 1 . 2]" 1
809 2 77 LEU QB 2 78 GLU HA . . 4.480 4.223 4.137 4.306 . 0 0 "[ . 1 . 2]" 1
810 2 67 LYS H 2 67 LYS HE3 . . 5.100 4.543 3.887 4.658 . 0 0 "[ . 1 . 2]" 1
811 2 67 LYS HE3 2 112 TYR HE2 . . 5.500 4.494 4.148 4.733 . 0 0 "[ . 1 . 2]" 1
812 2 28 ILE MG 2 29 CYS QB . . 5.100 4.029 3.518 4.700 . 0 0 "[ . 1 . 2]" 1
813 2 8 LEU HB2 2 9 ARG H . . 4.190 3.925 3.907 3.943 . 0 0 "[ . 1 . 2]" 1
814 2 8 LEU H 2 8 LEU HB2 . . 3.610 2.556 2.531 2.572 . 0 0 "[ . 1 . 2]" 1
815 2 8 LEU HB2 2 98 PHE HE1 . . 5.340 4.905 4.706 5.068 . 0 0 "[ . 1 . 2]" 1
816 2 7 GLU QB 2 8 LEU HB2 . . 4.510 4.105 4.053 4.179 . 0 0 "[ . 1 . 2]" 1
817 2 25 LYS HG3 2 29 CYS QB . . 5.500 5.291 4.962 5.640 0.140 2 0 "[ . 1 . 2]" 1
818 2 58 ASP QB 2 62 ILE MD . . 4.010 2.680 2.563 2.777 . 0 0 "[ . 1 . 2]" 1
819 2 58 ASP QB 2 62 ILE MG . . 5.500 5.253 5.161 5.297 . 0 0 "[ . 1 . 2]" 1
820 2 65 LEU HB2 2 66 MET H . . 4.340 2.881 2.834 2.979 . 0 0 "[ . 1 . 2]" 1
821 2 65 LEU H 2 65 LEU HB2 . . 4.020 2.500 2.485 2.518 . 0 0 "[ . 1 . 2]" 1
822 2 74 ASP H 2 74 ASP HB2 . . 3.660 2.551 2.387 3.612 . 0 0 "[ . 1 . 2]" 1
823 2 74 ASP HB2 2 75 LYS H . . 4.180 3.340 2.750 4.043 . 0 0 "[ . 1 . 2]" 1
824 2 97 TYR HD2 2 98 PHE HB2 . . 5.190 3.442 3.323 3.565 . 0 0 "[ . 1 . 2]" 1
825 2 98 PHE H 2 98 PHE HB2 . . 4.160 2.723 2.698 2.750 . 0 0 "[ . 1 . 2]" 1
826 2 98 PHE HB2 2 99 VAL H . . 4.440 4.106 4.081 4.138 . 0 0 "[ . 1 . 2]" 1
827 2 12 LEU HB2 2 72 ASP HA . . 4.670 3.368 2.911 3.527 . 0 0 "[ . 1 . 2]" 1
828 2 64 TYR QB 2 65 LEU MD2 . . 4.770 3.678 3.576 3.790 . 0 0 "[ . 1 . 2]" 1
829 2 61 VAL MG1 2 64 TYR QB . . 4.950 3.757 3.654 3.892 . 0 0 "[ . 1 . 2]" 1
830 2 64 TYR QB 2 65 LEU HA . . 4.350 4.393 4.334 4.443 0.093 3 0 "[ . 1 . 2]" 1
831 2 37 ILE MD 2 64 TYR QB . . 3.640 2.208 2.120 2.261 . 0 0 "[ . 1 . 2]" 1
832 2 5 PHE HB3 2 6 GLU H . . 4.530 3.188 3.132 3.230 . 0 0 "[ . 1 . 2]" 1
833 2 5 PHE HB3 2 98 PHE HE1 . . 4.590 4.405 4.367 4.446 . 0 0 "[ . 1 . 2]" 1
834 2 4 GLU QB 2 5 PHE HB3 . . 4.720 4.397 4.338 4.443 . 0 0 "[ . 1 . 2]" 1
835 2 5 PHE HB3 2 99 VAL QG . . 5.500 2.862 2.729 2.975 . 0 0 "[ . 1 . 2]" 1
836 2 28 ILE HB 2 29 CYS HA . . 5.500 4.516 4.419 4.627 . 0 0 "[ . 1 . 2]" 1
837 2 27 GLU HG3 2 28 ILE HB . . 5.500 4.324 4.029 4.462 . 0 0 "[ . 1 . 2]" 1
838 2 28 ILE HB 2 64 TYR HE2 . . 5.000 4.528 4.169 4.774 . 0 0 "[ . 1 . 2]" 1
839 2 24 ILE HA 2 28 ILE HB . . 5.500 5.175 5.022 5.342 . 0 0 "[ . 1 . 2]" 1
840 2 28 ILE HB 2 41 ILE MG . . 3.560 2.240 2.091 2.381 . 0 0 "[ . 1 . 2]" 1
841 2 28 ILE HB 2 28 ILE MD . . 3.500 2.326 2.311 2.347 . 0 0 "[ . 1 . 2]" 1
842 2 94 THR HB 2 97 TYR QB . . 5.330 3.748 3.611 3.835 . 0 0 "[ . 1 . 2]" 1
843 2 75 LYS H 2 76 ILE HB . . 4.640 4.477 4.332 4.583 . 0 0 "[ . 1 . 2]" 1
844 2 76 ILE HB 2 76 ILE MD . . 3.390 3.249 3.242 3.254 . 0 0 "[ . 1 . 2]" 1
845 2 92 TRP HZ3 2 97 TYR QB . . 4.560 2.146 2.070 2.222 . 0 0 "[ . 1 . 2]" 1
846 2 112 TYR QB 2 112 TYR HE2 . . 4.480 4.436 4.426 4.454 . 0 0 "[ . 1 . 2]" 1
847 2 109 VAL HA 2 112 TYR QB . . 4.080 2.105 2.034 2.148 . 0 0 "[ . 1 . 2]" 1
848 2 111 LYS QB 2 112 TYR QB . . 4.870 4.836 4.803 4.863 . 0 0 "[ . 1 . 2]" 1
849 2 112 TYR QB 2 113 LEU QB . . 5.040 4.338 4.310 4.378 . 0 0 "[ . 1 . 2]" 1
850 2 23 LYS H 2 24 ILE HB . . 4.470 4.228 4.186 4.290 . 0 0 "[ . 1 . 2]" 1
851 2 21 VAL MG1 2 24 ILE HB . . 4.720 4.568 4.501 4.646 . 0 0 "[ . 1 . 2]" 1
852 2 24 ILE HB 2 26 GLU H . . 5.190 4.897 4.839 4.930 . 0 0 "[ . 1 . 2]" 1
853 2 76 ILE HB 2 102 LEU QD . . 4.820 3.338 3.074 3.469 . 0 0 "[ . 1 . 2]" 1
854 2 99 VAL H 2 100 ILE HB . . 5.500 4.685 4.636 4.733 . 0 0 "[ . 1 . 2]" 1
855 2 100 ILE H 2 100 ILE HB . . 3.530 2.284 2.262 2.310 . 0 0 "[ . 1 . 2]" 1
856 2 99 VAL QG 2 100 ILE HB . . 4.930 4.687 4.646 4.744 . 0 0 "[ . 1 . 2]" 1
857 2 40 ILE HB 2 41 ILE QG . . 4.090 3.282 3.109 3.435 . 0 0 "[ . 1 . 2]" 1
858 2 37 ILE MD 2 40 ILE HB . . 5.130 3.524 3.082 3.905 . 0 0 "[ . 1 . 2]" 1
859 2 62 ILE HB 2 101 THR MG . . 4.350 4.073 3.885 4.141 . 0 0 "[ . 1 . 2]" 1
860 2 62 ILE HB 2 102 LEU QD . . 5.000 4.499 4.387 4.632 . 0 0 "[ . 1 . 2]" 1
861 2 51 ASN H 2 51 ASN HB2 . . 4.060 3.490 2.936 3.986 . 0 0 "[ . 1 . 2]" 1
862 2 4 GLU QG 2 7 GLU H . . 5.500 5.504 5.396 5.700 0.200 13 0 "[ . 1 . 2]" 1
863 2 1 THR HA 2 4 GLU QG . . 5.000 3.691 2.917 4.446 . 0 0 "[ . 1 . 2]" 1
864 2 40 ILE HB 2 41 ILE HA . . 5.080 4.590 4.538 4.650 . 0 0 "[ . 1 . 2]" 1
865 2 24 ILE HA 2 27 GLU HG2 . . 4.420 2.481 2.413 2.725 . 0 0 "[ . 1 . 2]" 1
866 2 23 LYS QE 2 27 GLU HG2 . . 5.210 5.212 4.835 5.257 0.047 1 0 "[ . 1 . 2]" 1
867 2 27 GLU H 2 27 GLU HG2 . . 3.460 2.139 2.064 3.102 . 0 0 "[ . 1 . 2]" 1
868 2 27 GLU HA 2 27 GLU HG2 . . 4.010 3.758 3.717 4.193 0.183 13 0 "[ . 1 . 2]" 1
869 2 26 GLU H 2 27 GLU HG2 . . 5.030 4.064 3.962 5.046 0.016 13 0 "[ . 1 . 2]" 1
870 2 22 GLU QG 2 24 ILE H . . 4.750 4.434 4.416 4.468 . 0 0 "[ . 1 . 2]" 1
871 2 22 GLU QG 2 23 LYS H . . 3.520 2.538 2.516 2.552 . 0 0 "[ . 1 . 2]" 1
872 2 21 VAL HA 2 22 GLU QG . . 5.190 4.954 4.934 4.985 . 0 0 "[ . 1 . 2]" 1
873 2 22 GLU QG 2 23 LYS QE . . 4.590 4.435 4.346 4.508 . 0 0 "[ . 1 . 2]" 1
874 2 22 GLU QB 2 22 GLU QG . . 2.400 2.115 2.110 2.119 . 0 0 "[ . 1 . 2]" 1
875 2 22 GLU QG 2 25 LYS HD2 . . 4.950 4.989 4.969 5.014 0.064 10 0 "[ . 1 . 2]" 1
876 2 22 GLU QG 2 23 LYS HG2 . . 3.980 2.363 2.268 2.412 . 0 0 "[ . 1 . 2]" 1
877 2 21 VAL MG1 2 22 GLU QG . . 4.090 3.888 3.833 3.942 . 0 0 "[ . 1 . 2]" 1
878 2 20 PRO HG2 2 22 GLU QG . . 2.400 2.153 2.090 2.212 . 0 0 "[ . 1 . 2]" 1
879 2 6 GLU H 2 6 GLU QG . . 3.950 3.903 3.890 3.916 . 0 0 "[ . 1 . 2]" 1
880 2 6 GLU QG 2 10 LYS QE . . 5.500 5.333 5.207 5.441 . 0 0 "[ . 1 . 2]" 1
881 2 6 GLU QG 2 7 GLU H . . 3.230 3.292 3.244 3.342 0.112 11 0 "[ . 1 . 2]" 1
882 2 22 GLU HA 2 22 GLU QG . . 3.350 3.329 3.324 3.333 . 0 0 "[ . 1 . 2]" 1
883 2 40 ILE H 2 41 ILE HB . . 5.500 4.727 4.483 4.882 . 0 0 "[ . 1 . 2]" 1
884 2 11 GLU HG3 2 14 LYS H . . 5.500 5.335 5.194 5.402 . 0 0 "[ . 1 . 2]" 1
885 2 11 GLU HG3 2 15 ARG H . . 5.500 5.011 4.930 5.077 . 0 0 "[ . 1 . 2]" 1
886 2 11 GLU HG3 2 12 LEU HA . . 4.480 4.141 3.650 4.325 . 0 0 "[ . 1 . 2]" 1
887 2 11 GLU HG3 2 12 LEU QD . . 4.270 3.782 3.258 4.035 . 0 0 "[ . 1 . 2]" 1
888 2 63 LEU HA 2 66 MET HB2 . . 5.070 2.837 2.728 3.171 . 0 0 "[ . 1 . 2]" 1
889 2 46 THR MG 2 81 PRO HB3 . . 3.990 2.335 2.172 2.638 . 0 0 "[ . 1 . 2]" 1
890 2 95 GLN QG 2 96 LYS H . . 4.350 2.153 2.076 2.191 . 0 0 "[ . 1 . 2]" 1
891 2 95 GLN QG 2 96 LYS HA . . 4.510 3.490 3.395 3.520 . 0 0 "[ . 1 . 2]" 1
892 2 95 GLN QG 2 96 LYS QB . . 3.400 2.921 2.873 2.982 . 0 0 "[ . 1 . 2]" 1
893 2 45 LYS HB2 2 49 ASP QB . . 4.440 2.715 2.487 2.868 . 0 0 "[ . 1 . 2]" 1
894 2 45 LYS HB2 2 48 ALA MB . . 5.070 5.126 5.090 5.239 0.169 18 0 "[ . 1 . 2]" 1
895 2 40 ILE HA 2 45 LYS HB2 . . 4.840 3.206 2.779 3.581 . 0 0 "[ . 1 . 2]" 1
896 2 19 LYS QB 2 20 PRO HD2 . . 4.400 2.348 2.195 2.501 . 0 0 "[ . 1 . 2]" 1
897 2 19 LYS QB 2 19 LYS QE . . 4.440 2.489 1.912 3.898 . 0 0 "[ . 1 . 2]" 1
898 2 19 LYS QB 2 24 ILE H . . 4.690 4.473 4.407 4.577 . 0 0 "[ . 1 . 2]" 1
899 2 19 LYS QB 2 23 LYS HG2 . . 3.500 3.578 3.502 3.622 0.122 11 0 "[ . 1 . 2]" 1
900 2 73 PRO QB 2 77 LEU H . . 5.500 4.698 4.524 4.935 . 0 0 "[ . 1 . 2]" 1
901 2 72 ASP HA 2 73 PRO QB . . 4.840 4.663 4.510 4.808 . 0 0 "[ . 1 . 2]" 1
902 2 73 PRO QB 2 102 LEU QD . . 4.360 4.338 4.214 4.422 0.062 11 0 "[ . 1 . 2]" 1
903 2 73 PRO QB 2 75 LYS H . . 5.080 5.024 4.786 5.254 0.174 20 0 "[ . 1 . 2]" 1
904 2 73 PRO QB 2 98 PHE HE2 . . 4.250 2.258 2.141 2.476 . 0 0 "[ . 1 . 2]" 1
905 2 73 PRO QB 2 77 LEU QB . . 4.090 3.957 3.730 4.115 0.025 4 0 "[ . 1 . 2]" 1
906 2 9 ARG H 2 10 LYS HB3 . . 5.430 4.626 4.589 4.683 . 0 0 "[ . 1 . 2]" 1
907 2 10 LYS HB3 2 10 LYS QE . . 4.040 1.843 1.826 1.858 . 0 0 "[ . 1 . 2]" 1
908 2 25 LYS HB3 2 25 LYS QE . . 4.310 1.918 1.907 1.933 . 0 0 "[ . 1 . 2]" 1
909 2 10 LYS HB3 2 10 LYS QD . . 2.970 2.891 2.772 2.956 . 0 0 "[ . 1 . 2]" 1
910 2 10 LYS HB3 2 11 GLU HA . . 4.580 4.565 4.537 4.617 0.037 14 0 "[ . 1 . 2]" 1
911 2 25 LYS HB3 2 26 GLU H . . 4.140 4.122 4.090 4.146 0.006 11 0 "[ . 1 . 2]" 1
912 2 20 PRO HB2 2 21 VAL MG1 . . 4.380 3.672 3.581 3.729 . 0 0 "[ . 1 . 2]" 1
913 2 20 PRO HB2 2 24 ILE MD . . 4.950 4.956 4.911 4.985 0.035 20 0 "[ . 1 . 2]" 1
914 2 3 VAL HB 2 4 GLU H . . 4.120 3.671 2.830 4.120 . 0 0 "[ . 1 . 2]" 1
915 2 11 GLU H 2 14 LYS QB . . 5.500 5.392 5.344 5.429 . 0 0 "[ . 1 . 2]" 1
916 2 10 LYS HA 2 14 LYS QB . . 4.620 4.668 4.632 4.721 0.101 1 0 "[ . 1 . 2]" 1
917 2 14 LYS QB 2 14 LYS QE . . 3.580 2.840 1.974 3.760 0.180 5 0 "[ . 1 . 2]" 1
918 2 10 LYS QD 2 14 LYS QB . . 3.220 3.212 3.103 3.307 0.087 8 0 "[ . 1 . 2]" 1
919 2 19 LYS QB 2 23 LYS HB2 . . 3.140 2.285 2.129 2.417 . 0 0 "[ . 1 . 2]" 1
920 2 19 LYS QG 2 23 LYS HB2 . . 4.230 4.074 3.644 4.226 . 0 0 "[ . 1 . 2]" 1
921 2 14 LYS QB 2 16 ASP H . . 5.320 4.998 4.953 5.049 . 0 0 "[ . 1 . 2]" 1
922 2 24 ILE H 2 25 LYS HB3 . . 5.230 5.225 5.202 5.265 0.035 7 0 "[ . 1 . 2]" 1
923 2 25 LYS HB3 2 41 ILE MG . . 4.550 2.978 2.819 3.148 . 0 0 "[ . 1 . 2]" 1
924 2 59 TRP HZ2 2 108 VAL HB . . 5.080 3.943 3.637 4.078 . 0 0 "[ . 1 . 2]" 1
925 2 2 VAL HB 2 3 VAL HB . . 4.510 4.515 4.251 4.788 0.278 19 0 "[ . 1 . 2]" 1
926 2 31 LYS H 2 31 LYS HB2 . . 3.340 2.365 2.267 2.468 . 0 0 "[ . 1 . 2]" 1
927 2 22 GLU H 2 23 LYS HB2 . . 5.130 4.914 4.859 4.939 . 0 0 "[ . 1 . 2]" 1
928 2 23 LYS HB2 2 24 ILE H . . 3.870 3.049 3.014 3.102 . 0 0 "[ . 1 . 2]" 1
929 2 23 LYS H 2 23 LYS HB2 . . 3.350 2.471 2.451 2.492 . 0 0 "[ . 1 . 2]" 1
930 2 19 LYS HA 2 23 LYS HB2 . . 5.020 4.545 4.415 4.666 . 0 0 "[ . 1 . 2]" 1
931 2 20 PRO HA 2 23 LYS HB2 . . 5.500 5.425 5.262 5.472 . 0 0 "[ . 1 . 2]" 1
932 2 23 LYS HB2 2 23 LYS QE . . 3.990 3.406 3.389 3.417 . 0 0 "[ . 1 . 2]" 1
933 2 22 GLU QG 2 23 LYS HB2 . . 4.870 4.051 3.982 4.077 . 0 0 "[ . 1 . 2]" 1
934 2 20 PRO HG2 2 23 LYS HB2 . . 3.900 3.771 3.631 3.821 . 0 0 "[ . 1 . 2]" 1
935 2 23 LYS HB2 2 23 LYS HG2 . . 2.970 2.437 2.425 2.460 . 0 0 "[ . 1 . 2]" 1
936 2 47 TYR HA 2 50 VAL HB . . 5.500 5.595 5.553 5.653 0.153 5 0 "[ . 1 . 2]" 1
937 2 50 VAL HB 2 52 ILE HB . . 4.780 3.643 3.277 3.936 . 0 0 "[ . 1 . 2]" 1
938 2 50 VAL HB 2 52 ILE MG . . 4.290 4.100 4.005 4.180 . 0 0 "[ . 1 . 2]" 1
939 2 40 ILE MD 2 50 VAL HB . . 5.500 5.255 4.849 5.442 . 0 0 "[ . 1 . 2]" 1
940 2 63 LEU MD1 2 108 VAL HB . . 4.860 4.349 3.914 4.996 0.136 18 0 "[ . 1 . 2]" 1
941 2 21 VAL HB 2 22 GLU H . . 4.070 4.078 4.048 4.102 0.032 4 0 "[ . 1 . 2]" 1
942 2 21 VAL HB 2 24 ILE H . . 5.450 5.362 5.311 5.427 . 0 0 "[ . 1 . 2]" 1
943 2 29 CYS H 2 31 LYS HB2 . . 5.500 5.347 5.202 5.459 . 0 0 "[ . 1 . 2]" 1
944 2 12 LEU H 2 13 VAL HB . . 4.940 4.522 4.438 4.604 . 0 0 "[ . 1 . 2]" 1
945 2 30 THR H 2 31 LYS HB2 . . 5.280 4.445 4.040 4.622 . 0 0 "[ . 1 . 2]" 1
946 2 109 VAL HB 2 110 LYS H . . 3.860 3.032 2.684 3.923 0.063 19 0 "[ . 1 . 2]" 1
947 2 106 TRP HE3 2 109 VAL HB . . 4.550 3.334 2.821 4.548 . 0 0 "[ . 1 . 2]" 1
948 2 23 LYS HB2 2 24 ILE MD . . 3.480 2.572 2.505 2.721 . 0 0 "[ . 1 . 2]" 1
949 2 108 VAL H 2 109 VAL HB . . 5.130 4.816 4.695 4.899 . 0 0 "[ . 1 . 2]" 1
950 2 106 TRP HZ3 2 109 VAL HB . . 5.500 4.157 3.543 5.551 0.051 8 0 "[ . 1 . 2]" 1
951 2 111 LYS QB 2 111 LYS QE . . 3.900 1.937 1.889 2.003 . 0 0 "[ . 1 . 2]" 1
952 2 111 LYS QB 2 113 LEU H . . 5.310 5.051 5.021 5.078 . 0 0 "[ . 1 . 2]" 1
953 2 111 LYS QB 2 114 GLU H . . 5.500 4.776 4.750 4.814 . 0 0 "[ . 1 . 2]" 1
954 2 61 VAL HB 2 62 ILE HG13 . . 3.420 3.472 3.432 3.534 0.114 4 0 "[ . 1 . 2]" 1
955 2 62 ILE HG12 2 76 ILE MD . . 4.210 2.380 2.148 2.779 . 0 0 "[ . 1 . 2]" 1
956 2 11 GLU H 2 13 VAL HB . . 5.500 5.192 5.109 5.298 . 0 0 "[ . 1 . 2]" 1
957 2 104 LYS QB 2 108 VAL H . . 5.500 4.945 4.821 5.080 . 0 0 "[ . 1 . 2]" 1
958 2 87 LYS H 2 88 GLU QB . . 4.320 3.707 3.619 4.033 . 0 0 "[ . 1 . 2]" 1
959 2 88 GLU H 2 88 GLU QB . . 3.620 2.248 2.206 2.402 . 0 0 "[ . 1 . 2]" 1
960 2 85 LYS HA 2 88 GLU QB . . 3.420 2.265 2.011 2.583 . 0 0 "[ . 1 . 2]" 1
961 2 99 VAL HB 2 100 ILE HA . . 4.650 4.541 4.451 4.597 . 0 0 "[ . 1 . 2]" 1
962 2 87 LYS QG 2 88 GLU QB . . 5.500 4.499 3.112 5.087 . 0 0 "[ . 1 . 2]" 1
963 2 96 LYS QG 2 99 VAL HB . . 5.500 5.346 5.155 5.511 0.011 18 0 "[ . 1 . 2]" 1
964 2 98 PHE HD1 2 99 VAL HB . . 4.950 4.139 4.100 4.198 . 0 0 "[ . 1 . 2]" 1
965 2 104 LYS QB 2 104 LYS QE . . 3.990 2.091 1.920 3.239 . 0 0 "[ . 1 . 2]" 1
966 2 106 TRP HB2 2 106 TRP HD1 . . 3.830 3.555 3.536 3.574 . 0 0 "[ . 1 . 2]" 1
967 2 109 VAL H 2 110 LYS QB . . 4.730 4.689 4.560 4.736 0.006 15 0 "[ . 1 . 2]" 1
968 2 110 LYS QB 2 113 LEU H . . 5.120 4.772 4.742 4.802 . 0 0 "[ . 1 . 2]" 1
969 2 106 TRP HZ2 2 110 LYS QB . . 4.640 3.486 3.264 3.606 . 0 0 "[ . 1 . 2]" 1
970 2 110 LYS QB 2 111 LYS QB . . 4.830 4.861 4.828 4.900 0.070 7 0 "[ . 1 . 2]" 1
971 2 110 LYS QB 2 110 LYS QD . . 3.110 2.207 2.059 2.305 . 0 0 "[ . 1 . 2]" 1
972 2 110 LYS QB 2 110 LYS QE . . 4.130 2.557 1.975 3.636 . 0 0 "[ . 1 . 2]" 1
973 2 103 SER HA 2 106 TRP HB2 . . 4.880 4.774 4.549 4.963 0.083 11 0 "[ . 1 . 2]" 1
974 2 105 ALA H 2 106 TRP HB2 . . 5.500 5.198 5.053 5.293 . 0 0 "[ . 1 . 2]" 1
975 2 56 ARG HA 2 59 TRP QB . . 5.270 2.030 1.963 2.351 . 0 0 "[ . 1 . 2]" 1
976 2 8 LEU HG 2 106 TRP HB2 . . 5.000 4.910 4.790 5.016 0.016 1 0 "[ . 1 . 2]" 1
977 2 12 LEU HG 2 106 TRP HB2 . . 4.890 4.807 4.710 4.942 0.052 11 0 "[ . 1 . 2]" 1
978 2 12 LEU QD 2 106 TRP HB2 . . 4.270 2.423 2.342 2.519 . 0 0 "[ . 1 . 2]" 1
979 2 8 LEU QD 2 106 TRP HB2 . . 4.630 3.520 3.408 3.621 . 0 0 "[ . 1 . 2]" 1
980 2 26 GLU QB 2 27 GLU H . . 3.220 2.590 2.539 2.660 . 0 0 "[ . 1 . 2]" 1
981 2 70 VAL HB 2 71 THR H . . 5.430 4.563 4.526 4.590 . 0 0 "[ . 1 . 2]" 1
982 2 17 SER H 2 70 VAL HB . . 5.290 4.245 3.880 4.541 . 0 0 "[ . 1 . 2]" 1
983 2 15 ARG QB 2 16 ASP HA . . 4.660 4.032 3.889 4.245 . 0 0 "[ . 1 . 2]" 1
984 2 14 LYS HG3 2 15 ARG QB . . 3.630 3.728 3.701 3.807 0.177 5 0 "[ . 1 . 2]" 1
985 2 12 LEU QD 2 15 ARG QB . . 4.760 3.766 3.585 4.288 . 0 0 "[ . 1 . 2]" 1
986 2 12 LEU HA 2 15 ARG QB . . 4.000 2.825 2.632 3.495 . 0 0 "[ . 1 . 2]" 1
987 2 101 THR HB 2 105 ALA MB . . 5.190 4.947 4.861 5.041 . 0 0 "[ . 1 . 2]" 1
988 2 101 THR HB 2 102 LEU QD . . 5.050 2.516 2.453 2.630 . 0 0 "[ . 1 . 2]" 1
989 2 100 ILE H 2 101 THR HB . . 4.910 4.835 4.766 4.904 . 0 0 "[ . 1 . 2]" 1
990 2 97 TYR HA 2 101 THR HB . . 5.460 5.401 5.286 5.478 0.018 20 0 "[ . 1 . 2]" 1
991 2 39 GLU QB 2 41 ILE H . . 5.230 4.838 4.707 5.011 . 0 0 "[ . 1 . 2]" 1
992 2 4 GLU QB 2 8 LEU H . . 4.860 4.691 4.614 4.751 . 0 0 "[ . 1 . 2]" 1
993 2 1 THR HA 2 4 GLU QB . . 4.920 3.243 2.665 3.454 . 0 0 "[ . 1 . 2]" 1
994 2 27 GLU QB 2 28 ILE HA . . 4.670 4.574 4.518 4.610 . 0 0 "[ . 1 . 2]" 1
995 2 24 ILE HA 2 27 GLU QB . . 4.210 4.251 4.222 4.314 0.104 19 0 "[ . 1 . 2]" 1
996 2 23 LYS QE 2 27 GLU QB . . 5.500 3.827 3.750 3.932 . 0 0 "[ . 1 . 2]" 1
997 2 27 GLU QB 2 31 LYS QE . . 5.500 3.003 2.242 3.636 . 0 0 "[ . 1 . 2]" 1
998 2 114 GLU HB3 2 115 ALA H . . 5.030 3.966 3.908 3.992 . 0 0 "[ . 1 . 2]" 1
999 2 113 LEU QD 2 114 GLU HB3 . . 4.920 4.041 3.959 4.122 . 0 0 "[ . 1 . 2]" 1
1000 2 111 LYS HA 2 114 GLU HB3 . . 4.670 2.420 2.344 2.492 . 0 0 "[ . 1 . 2]" 1
1001 2 82 ARG HB3 2 82 ARG QD . . 3.320 2.895 2.288 3.525 0.205 2 0 "[ . 1 . 2]" 1
1002 2 25 LYS HD2 2 27 GLU H . . 5.500 5.043 4.990 5.106 . 0 0 "[ . 1 . 2]" 1
1003 2 25 LYS HD2 2 26 GLU QB . . 4.200 3.693 3.629 3.741 . 0 0 "[ . 1 . 2]" 1
1004 2 76 ILE H 2 76 ILE HG13 . . 3.940 3.591 3.533 3.637 . 0 0 "[ . 1 . 2]" 1
1005 2 67 LYS H 2 67 LYS HD3 . . 4.850 4.783 4.702 4.816 . 0 0 "[ . 1 . 2]" 1
1006 2 43 GLU HB3 2 45 LYS HA . . 5.500 5.427 5.156 5.564 0.064 19 0 "[ . 1 . 2]" 1
1007 2 39 GLU HA 2 43 GLU HB3 . . 4.480 4.251 3.752 4.614 0.134 10 0 "[ . 1 . 2]" 1
1008 2 43 GLU HB3 2 45 LYS HG2 . . 4.210 3.418 3.056 3.671 . 0 0 "[ . 1 . 2]" 1
1009 2 43 GLU HB3 2 45 LYS HB2 . . 3.730 3.268 3.005 3.503 . 0 0 "[ . 1 . 2]" 1
1010 2 77 LEU H 2 78 GLU HB2 . . 5.120 4.833 4.624 4.929 . 0 0 "[ . 1 . 2]" 1
1011 2 78 GLU HB2 2 79 LEU H . . 4.970 4.172 4.119 4.228 . 0 0 "[ . 1 . 2]" 1
1012 2 78 GLU H 2 78 GLU HB2 . . 3.180 2.697 2.653 2.788 . 0 0 "[ . 1 . 2]" 1
1013 2 10 LYS QD 2 11 GLU QB . . 3.840 3.564 3.497 3.624 . 0 0 "[ . 1 . 2]" 1
1014 2 8 LEU QD 2 11 GLU QB . . 3.770 3.222 3.120 3.374 . 0 0 "[ . 1 . 2]" 1
1015 2 100 ILE H 2 100 ILE HG13 . . 4.120 2.416 2.341 2.450 . 0 0 "[ . 1 . 2]" 1
1016 2 22 GLU HA 2 25 LYS HD2 . . 3.170 2.620 2.525 2.680 . 0 0 "[ . 1 . 2]" 1
1017 2 10 LYS QD 2 14 LYS H . . 4.450 4.175 4.074 4.291 . 0 0 "[ . 1 . 2]" 1
1018 2 25 LYS HD2 2 25 LYS QE . . 2.430 2.203 2.196 2.212 . 0 0 "[ . 1 . 2]" 1
1019 2 31 LYS HB2 2 31 LYS QD . . 3.620 2.433 2.321 3.337 . 0 0 "[ . 1 . 2]" 1
1020 2 95 GLN QG 2 96 LYS QD . . 4.360 4.076 3.896 4.470 0.110 6 0 "[ . 1 . 2]" 1
1021 2 7 GLU QB 2 9 ARG H . . 5.150 4.897 4.875 4.916 . 0 0 "[ . 1 . 2]" 1
1022 2 7 GLU H 2 7 GLU QB . . 2.760 2.365 2.344 2.386 . 0 0 "[ . 1 . 2]" 1
1023 2 10 LYS HA 2 11 GLU QB . . 5.410 5.190 5.171 5.218 . 0 0 "[ . 1 . 2]" 1
1024 2 11 GLU QB 2 11 GLU HG3 . . 2.550 2.402 2.375 2.426 . 0 0 "[ . 1 . 2]" 1
1025 2 11 GLU QB 2 13 VAL H . . 5.130 4.827 4.792 4.873 . 0 0 "[ . 1 . 2]" 1
1026 2 11 GLU QB 2 12 LEU HA . . 4.210 4.219 4.153 4.295 0.085 5 0 "[ . 1 . 2]" 1
1027 2 11 GLU QB 2 12 LEU HG . . 4.640 3.453 3.339 3.569 . 0 0 "[ . 1 . 2]" 1
1028 2 11 GLU QB 2 12 LEU QD . . 4.280 3.437 3.315 3.609 . 0 0 "[ . 1 . 2]" 1
1029 2 92 TRP HZ3 2 100 ILE HG13 . . 5.500 5.130 5.056 5.226 . 0 0 "[ . 1 . 2]" 1
1030 2 96 LYS QB 2 100 ILE HG13 . . 5.440 4.061 3.852 4.220 . 0 0 "[ . 1 . 2]" 1
1031 2 52 ILE QG 2 57 GLY H . . 5.140 3.513 3.410 3.671 . 0 0 "[ . 1 . 2]" 1
1032 2 52 ILE QG 2 53 ASP H . . 3.920 1.971 1.915 2.022 . 0 0 "[ . 1 . 2]" 1
1033 2 45 LYS QD 2 46 THR H . . 4.290 3.480 3.065 3.582 . 0 0 "[ . 1 . 2]" 1
1034 2 45 LYS H 2 45 LYS QD . . 4.120 3.996 3.865 4.059 . 0 0 "[ . 1 . 2]" 1
1035 2 45 LYS HA 2 45 LYS QD . . 3.620 2.537 1.973 2.698 . 0 0 "[ . 1 . 2]" 1
1036 2 45 LYS QD 2 49 ASP HA . . 4.500 3.890 3.212 4.064 . 0 0 "[ . 1 . 2]" 1
1037 2 45 LYS QD 2 48 ALA MB . . 2.400 2.432 2.243 2.488 0.088 6 0 "[ . 1 . 2]" 1
1038 2 45 LYS QD 2 45 LYS HG2 . . 2.790 2.493 2.464 2.522 . 0 0 "[ . 1 . 2]" 1
1039 2 40 ILE MD 2 45 LYS QD . . 5.260 4.643 4.093 4.872 . 0 0 "[ . 1 . 2]" 1
1040 2 45 LYS QD 2 49 ASP QB . . 3.670 3.221 2.654 3.336 . 0 0 "[ . 1 . 2]" 1
1041 2 96 LYS H 2 96 LYS QD . . 4.940 3.717 3.571 3.936 . 0 0 "[ . 1 . 2]" 1
1042 2 96 LYS HA 2 96 LYS QD . . 4.800 4.334 4.195 4.558 . 0 0 "[ . 1 . 2]" 1
1043 2 106 TRP HZ2 2 110 LYS QD . . 4.100 3.868 3.378 4.144 0.044 14 0 "[ . 1 . 2]" 1
1044 2 107 SER HA 2 110 LYS QD . . 4.640 2.600 2.187 3.383 . 0 0 "[ . 1 . 2]" 1
1045 2 110 LYS QD 2 111 LYS HA . . 5.500 5.529 5.431 5.601 0.101 3 0 "[ . 1 . 2]" 1
1046 2 9 ARG HB2 2 98 PHE HE2 . . 5.500 5.565 5.525 5.611 0.111 17 0 "[ . 1 . 2]" 1
1047 2 94 THR HB 2 95 GLN QB . . 5.500 5.563 5.525 5.636 0.136 6 0 "[ . 1 . 2]" 1
1048 2 6 GLU H 2 6 GLU HB3 . . 3.350 2.272 2.250 2.307 . 0 0 "[ . 1 . 2]" 1
1049 2 22 GLU QB 2 25 LYS HD2 . . 4.450 4.275 4.194 4.331 . 0 0 "[ . 1 . 2]" 1
1050 2 22 GLU QB 2 25 LYS QE . . 4.530 3.849 3.766 3.921 . 0 0 "[ . 1 . 2]" 1
1051 2 111 LYS QD 2 112 TYR H . . 4.650 4.484 4.344 4.563 . 0 0 "[ . 1 . 2]" 1
1052 2 111 LYS H 2 111 LYS QD . . 4.390 4.065 3.659 4.322 . 0 0 "[ . 1 . 2]" 1
1053 2 111 LYS QD 2 112 TYR HA . . 5.200 5.146 4.899 5.323 0.123 6 0 "[ . 1 . 2]" 1
1054 2 108 VAL HA 2 111 LYS QD . . 4.040 2.622 2.254 2.971 . 0 0 "[ . 1 . 2]" 1
1055 2 21 VAL H 2 22 GLU QB . . 4.990 4.878 4.839 4.918 . 0 0 "[ . 1 . 2]" 1
1056 2 22 GLU QB 2 24 ILE H . . 5.430 5.087 5.056 5.109 . 0 0 "[ . 1 . 2]" 1
1057 2 4 GLU HA 2 6 GLU HB3 . . 5.020 4.969 4.814 5.044 0.024 16 0 "[ . 1 . 2]" 1
1058 2 22 GLU H 2 22 GLU QB . . 2.810 2.459 2.435 2.481 . 0 0 "[ . 1 . 2]" 1
1059 2 4 GLU H 2 6 GLU HB3 . . 4.970 4.997 4.757 5.052 0.082 5 0 "[ . 1 . 2]" 1
1060 2 22 GLU QB 2 23 LYS H . . 3.670 3.716 3.705 3.723 0.053 18 0 "[ . 1 . 2]" 1
1061 2 3 VAL HA 2 6 GLU HB3 . . 2.670 2.554 2.263 2.637 . 0 0 "[ . 1 . 2]" 1
1062 2 21 VAL HA 2 22 GLU QB . . 5.500 5.448 5.432 5.459 . 0 0 "[ . 1 . 2]" 1
1063 2 22 GLU QB 2 23 LYS HG2 . . 4.570 4.418 4.338 4.470 . 0 0 "[ . 1 . 2]" 1
1064 2 41 ILE QG 2 41 ILE MG . . 2.560 2.310 2.296 2.323 . 0 0 "[ . 1 . 2]" 1
1065 2 61 VAL HA 2 64 TYR HD2 . . 5.090 4.559 4.411 4.681 . 0 0 "[ . 1 . 2]" 1
1066 2 61 VAL HA 2 64 TYR QB . . 4.250 2.792 2.655 2.925 . 0 0 "[ . 1 . 2]" 1
1067 2 61 VAL HA 2 61 VAL MG1 . . 3.110 2.476 2.451 2.517 . 0 0 "[ . 1 . 2]" 1
1068 2 60 HIS HA 2 61 VAL HA . . 5.420 4.776 4.764 4.790 . 0 0 "[ . 1 . 2]" 1
1069 2 21 VAL HA 2 75 LYS HA . . 5.500 5.140 4.209 5.624 0.124 19 0 "[ . 1 . 2]" 1
1070 2 61 VAL HA 2 65 LEU MD2 . . 4.840 4.916 4.884 4.948 0.108 5 0 "[ . 1 . 2]" 1
1071 2 21 VAL HA 2 24 ILE MD . . 2.540 2.015 1.962 2.057 . 0 0 "[ . 1 . 2]" 1
1072 2 21 VAL HA 2 25 LYS H . . 4.560 4.455 4.411 4.533 . 0 0 "[ . 1 . 2]" 1
1073 2 21 VAL HA 2 24 ILE HB . . 3.100 2.382 2.278 2.522 . 0 0 "[ . 1 . 2]" 1
1074 2 21 VAL HA 2 21 VAL MG1 . . 3.380 3.215 3.208 3.222 . 0 0 "[ . 1 . 2]" 1
1075 2 65 LEU HA 2 68 HIS HB2 . . 4.350 2.502 2.298 2.725 . 0 0 "[ . 1 . 2]" 1
1076 2 67 LYS H 2 68 HIS HB2 . . 5.100 4.506 4.320 4.561 . 0 0 "[ . 1 . 2]" 1
1077 2 68 HIS HB2 2 70 VAL HB . . 5.500 5.129 3.950 5.387 . 0 0 "[ . 1 . 2]" 1
1078 2 28 ILE MD 2 68 HIS HB2 . . 4.960 4.334 3.860 4.813 . 0 0 "[ . 1 . 2]" 1
1079 2 62 ILE HA 2 65 LEU H . . 3.910 3.570 3.511 3.626 . 0 0 "[ . 1 . 2]" 1
1080 2 62 ILE HA 2 64 TYR H . . 5.450 4.222 4.155 4.301 . 0 0 "[ . 1 . 2]" 1
1081 2 62 ILE HA 2 62 ILE HG12 . . 3.760 2.503 2.466 2.544 . 0 0 "[ . 1 . 2]" 1
1082 2 62 ILE HA 2 76 ILE HG13 . . 5.500 5.354 5.103 5.537 0.037 4 0 "[ . 1 . 2]" 1
1083 2 61 VAL MG1 2 62 ILE HA . . 4.620 3.258 3.172 3.325 . 0 0 "[ . 1 . 2]" 1
1084 2 62 ILE HA 2 62 ILE HG13 . . 2.890 2.700 2.669 2.730 . 0 0 "[ . 1 . 2]" 1
1085 2 12 LEU H 2 13 VAL HA . . 5.240 5.165 5.132 5.217 . 0 0 "[ . 1 . 2]" 1
1086 2 13 VAL HA 2 15 ARG H . . 4.300 4.005 3.938 4.068 . 0 0 "[ . 1 . 2]" 1
1087 2 13 VAL HA 2 16 ASP HA . . 4.780 4.777 4.685 4.826 0.046 7 0 "[ . 1 . 2]" 1
1088 2 13 VAL HA 2 72 ASP HA . . 4.570 4.185 4.029 4.405 . 0 0 "[ . 1 . 2]" 1
1089 2 13 VAL HA 2 73 PRO QD . . 4.760 4.397 4.229 4.632 . 0 0 "[ . 1 . 2]" 1
1090 2 12 LEU HB2 2 13 VAL HA . . 4.970 4.266 4.221 4.346 . 0 0 "[ . 1 . 2]" 1
1091 2 13 VAL HA 2 16 ASP QB . . 3.610 2.295 2.238 2.341 . 0 0 "[ . 1 . 2]" 1
1092 2 13 VAL HA 2 13 VAL MG2 . . 2.860 2.293 2.274 2.318 . 0 0 "[ . 1 . 2]" 1
1093 2 24 ILE HG12 2 25 LYS H . . 5.120 5.177 5.128 5.202 0.082 13 0 "[ . 1 . 2]" 1
1094 2 24 ILE H 2 24 ILE HG12 . . 4.420 4.017 3.973 4.047 . 0 0 "[ . 1 . 2]" 1
1095 2 21 VAL HA 2 24 ILE HG12 . . 3.850 3.406 3.311 3.480 . 0 0 "[ . 1 . 2]" 1
1096 2 24 ILE HA 2 24 ILE HG12 . . 4.060 3.566 3.549 3.593 . 0 0 "[ . 1 . 2]" 1
1097 2 95 GLN QB 2 96 LYS QB . . 4.700 4.693 4.649 4.739 0.039 17 0 "[ . 1 . 2]" 1
1098 2 73 PRO HG3 2 74 ASP H . . 4.470 4.311 3.984 4.693 0.223 15 0 "[ . 1 . 2]" 1
1099 2 73 PRO HG3 2 98 PHE HE1 . . 5.500 5.202 4.432 5.665 0.165 2 0 "[ . 1 . 2]" 1
1100 2 73 PRO HG3 2 98 PHE HE2 . . 5.230 4.017 2.743 4.865 . 0 0 "[ . 1 . 2]" 1
1101 2 73 PRO HG3 2 98 PHE HZ . . 4.350 3.309 2.186 4.052 . 0 0 "[ . 1 . 2]" 1
1102 2 72 ASP HA 2 73 PRO HG3 . . 4.460 4.439 4.252 4.587 0.127 20 0 "[ . 1 . 2]" 1
1103 2 12 LEU QD 2 73 PRO HG3 . . 5.040 3.553 2.393 4.283 . 0 0 "[ . 1 . 2]" 1
1104 2 23 LYS QD 2 27 GLU H . . 5.500 5.526 5.415 5.554 0.054 8 0 "[ . 1 . 2]" 1
1105 2 23 LYS QD 2 26 GLU H . . 5.080 5.068 5.002 5.099 0.019 14 0 "[ . 1 . 2]" 1
1106 2 23 LYS H 2 23 LYS QD . . 3.930 3.482 3.410 3.587 . 0 0 "[ . 1 . 2]" 1
1107 2 23 LYS QD 2 26 GLU QB . . 3.530 3.454 3.297 3.514 . 0 0 "[ . 1 . 2]" 1
1108 2 23 LYS QD 2 23 LYS HG2 . . 2.590 2.203 2.200 2.210 . 0 0 "[ . 1 . 2]" 1
1109 2 23 LYS QD 2 24 ILE H . . 5.190 4.891 4.865 4.971 . 0 0 "[ . 1 . 2]" 1
1110 2 65 LEU HA 2 65 LEU HG . . 3.990 3.116 3.094 3.134 . 0 0 "[ . 1 . 2]" 1
1111 2 62 ILE HA 2 65 LEU HG . . 3.760 3.531 3.415 3.666 . 0 0 "[ . 1 . 2]" 1
1112 2 37 ILE MD 2 65 LEU HG . . 5.040 4.382 3.938 4.653 . 0 0 "[ . 1 . 2]" 1
1113 2 20 PRO HG2 2 21 VAL H . . 4.700 4.585 4.535 4.623 . 0 0 "[ . 1 . 2]" 1
1114 2 20 PRO HG2 2 22 GLU H . . 4.610 3.559 3.493 3.633 . 0 0 "[ . 1 . 2]" 1
1115 2 20 PRO HG2 2 24 ILE H . . 5.220 5.276 5.258 5.311 0.091 11 0 "[ . 1 . 2]" 1
1116 2 20 PRO HG2 2 23 LYS H . . 3.910 3.172 3.106 3.215 . 0 0 "[ . 1 . 2]" 1
1117 2 20 PRO HG2 2 22 GLU QB . . 5.500 4.328 4.263 4.383 . 0 0 "[ . 1 . 2]" 1
1118 2 20 PRO HG2 2 23 LYS HG2 . . 3.850 2.085 2.051 2.140 . 0 0 "[ . 1 . 2]" 1
1119 2 64 TYR HD2 2 65 LEU HG . . 5.150 3.068 2.836 3.246 . 0 0 "[ . 1 . 2]" 1
1120 2 12 LEU QD 2 15 ARG QG . . 4.640 3.958 3.458 4.671 0.031 20 0 "[ . 1 . 2]" 1
1121 2 15 ARG QG 2 106 TRP HZ3 . . 5.500 4.545 4.304 5.703 0.203 11 0 "[ . 1 . 2]" 1
1122 2 11 GLU HA 2 15 ARG QG . . 4.260 3.986 3.762 4.075 . 0 0 "[ . 1 . 2]" 1
1123 2 14 LYS QE 2 15 ARG QG . . 5.400 3.041 2.028 4.169 . 0 0 "[ . 1 . 2]" 1
1124 2 11 GLU HG3 2 15 ARG QG . . 4.210 3.004 2.790 3.153 . 0 0 "[ . 1 . 2]" 1
1125 2 14 LYS QB 2 15 ARG QG . . 4.110 4.086 3.846 4.167 0.057 5 0 "[ . 1 . 2]" 1
1126 2 14 LYS HG3 2 15 ARG QG . . 3.080 2.226 2.087 2.340 . 0 0 "[ . 1 . 2]" 1
1127 2 6 GLU H 2 9 ARG HG3 . . 5.500 4.758 4.651 4.839 . 0 0 "[ . 1 . 2]" 1
1128 2 9 ARG HG3 2 12 LEU H . . 5.500 5.397 5.349 5.447 . 0 0 "[ . 1 . 2]" 1
1129 2 108 VAL HA 2 109 VAL HA . . 4.810 4.691 4.661 4.734 . 0 0 "[ . 1 . 2]" 1
1130 2 108 VAL HA 2 111 LYS QE . . 4.440 3.396 2.508 4.472 0.032 20 0 "[ . 1 . 2]" 1
1131 2 108 VAL HA 2 111 LYS QB . . 4.300 4.236 4.069 4.335 0.035 1 0 "[ . 1 . 2]" 1
1132 2 108 VAL HA 2 108 VAL QG . . 2.900 2.160 2.135 2.207 . 0 0 "[ . 1 . 2]" 1
1133 2 108 VAL HA 2 112 TYR H . . 4.810 4.495 4.354 4.607 . 0 0 "[ . 1 . 2]" 1
1134 2 108 VAL H 2 109 VAL HA . . 5.170 5.220 5.195 5.244 0.074 6 0 "[ . 1 . 2]" 1
1135 2 109 VAL HA 2 111 LYS H . . 4.450 4.312 4.211 4.361 . 0 0 "[ . 1 . 2]" 1
1136 2 109 VAL HA 2 112 TYR HE2 . . 5.020 4.972 4.913 5.056 0.036 5 0 "[ . 1 . 2]" 1
1137 2 109 VAL HA 2 113 LEU HG . . 5.460 4.814 4.771 4.880 . 0 0 "[ . 1 . 2]" 1
1138 2 62 ILE H 2 63 LEU HG . . 5.240 4.539 4.452 4.686 . 0 0 "[ . 1 . 2]" 1
1139 2 63 LEU HG 2 64 TYR H . . 5.020 4.548 4.500 4.639 . 0 0 "[ . 1 . 2]" 1
1140 2 63 LEU HG 2 105 ALA MB . . 3.200 2.987 2.912 3.122 . 0 0 "[ . 1 . 2]" 1
1141 2 59 TRP HA 2 63 LEU HG . . 4.510 4.108 3.999 4.233 . 0 0 "[ . 1 . 2]" 1
1142 2 63 LEU HA 2 63 LEU HG . . 3.800 2.900 2.821 2.972 . 0 0 "[ . 1 . 2]" 1
1143 2 63 LEU HG 2 105 ALA HA . . 4.390 3.960 3.823 4.074 . 0 0 "[ . 1 . 2]" 1
1144 2 108 VAL HA 2 110 LYS H . . 5.220 4.721 4.582 4.792 . 0 0 "[ . 1 . 2]" 1
1145 2 112 TYR H 2 113 LEU HG . . 4.420 3.955 3.928 3.987 . 0 0 "[ . 1 . 2]" 1
1146 2 113 LEU HA 2 113 LEU HG . . 3.740 3.686 3.669 3.697 . 0 0 "[ . 1 . 2]" 1
1147 2 110 LYS HA 2 113 LEU HG . . 3.740 2.152 2.117 2.181 . 0 0 "[ . 1 . 2]" 1
1148 2 82 ARG HG2 2 83 ASP H . . 4.680 3.741 3.170 4.816 0.136 18 0 "[ . 1 . 2]" 1
1149 2 77 LEU HA 2 77 LEU HG . . 3.690 3.043 2.936 3.132 . 0 0 "[ . 1 . 2]" 1
1150 2 77 LEU HG 2 80 LEU H . . 5.500 5.319 5.140 5.680 0.180 14 0 "[ . 1 . 2]" 1
1151 2 77 LEU HG 2 78 GLU H . . 5.010 4.212 4.066 4.427 . 0 0 "[ . 1 . 2]" 1
1152 2 77 LEU HG 2 87 LYS HA . . 4.530 4.538 4.264 4.665 0.135 7 0 "[ . 1 . 2]" 1
1153 2 77 LEU HG 2 78 GLU HA . . 5.250 3.962 3.779 4.265 . 0 0 "[ . 1 . 2]" 1
1154 2 75 LYS H 2 75 LYS HG3 . . 4.180 2.718 2.145 3.921 . 0 0 "[ . 1 . 2]" 1
1155 2 102 LEU H 2 102 LEU HG . . 3.950 3.970 3.927 4.000 0.050 11 0 "[ . 1 . 2]" 1
1156 2 22 GLU HA 2 25 LYS HG3 . . 4.850 4.692 4.663 4.736 . 0 0 "[ . 1 . 2]" 1
1157 2 25 LYS H 2 25 LYS HG3 . . 4.030 3.975 3.955 4.004 . 0 0 "[ . 1 . 2]" 1
1158 2 25 LYS QE 2 25 LYS HG3 . . 3.670 2.950 2.938 2.965 . 0 0 "[ . 1 . 2]" 1
1159 2 73 PRO HA 2 77 LEU H . . 4.000 3.717 3.534 3.979 . 0 0 "[ . 1 . 2]" 1
1160 2 73 PRO HA 2 76 ILE H . . 3.810 3.512 3.426 3.677 . 0 0 "[ . 1 . 2]" 1
1161 2 73 PRO HA 2 75 LYS H . . 4.490 4.454 4.336 4.560 0.070 5 0 "[ . 1 . 2]" 1
1162 2 73 PRO HA 2 76 ILE HB . . 3.210 2.507 2.354 2.639 . 0 0 "[ . 1 . 2]" 1
1163 2 73 PRO HA 2 77 LEU QB . . 3.950 3.942 3.711 4.039 0.089 19 0 "[ . 1 . 2]" 1
1164 2 73 PRO HA 2 76 ILE HG13 . . 4.200 3.908 3.741 4.156 . 0 0 "[ . 1 . 2]" 1
1165 2 73 PRO HA 2 76 ILE MG . . 3.770 3.769 3.586 3.828 0.058 7 0 "[ . 1 . 2]" 1
1166 2 73 PRO HA 2 76 ILE MD . . 5.500 5.074 4.944 5.200 . 0 0 "[ . 1 . 2]" 1
1167 2 73 PRO HA 2 102 LEU QD . . 3.910 3.837 3.685 3.928 0.018 13 0 "[ . 1 . 2]" 1
1168 2 23 LYS H 2 24 ILE HA . . 5.100 4.871 4.849 4.904 . 0 0 "[ . 1 . 2]" 1
1169 2 24 ILE HA 2 28 ILE MD . . 3.930 3.813 3.630 3.986 0.056 7 0 "[ . 1 . 2]" 1
1170 2 24 ILE HA 2 26 GLU H . . 4.870 4.217 4.116 4.305 . 0 0 "[ . 1 . 2]" 1
1171 2 24 ILE HA 2 27 GLU HG3 . . 3.980 3.705 2.535 3.911 . 0 0 "[ . 1 . 2]" 1
1172 2 45 LYS HG2 2 49 ASP HA . . 5.490 5.538 5.468 5.616 0.126 14 0 "[ . 1 . 2]" 1
1173 2 45 LYS HG2 2 46 THR H . . 4.710 4.795 4.600 4.863 0.153 1 0 "[ . 1 . 2]" 1
1174 2 40 ILE MD 2 45 LYS HG2 . . 5.250 4.782 4.548 5.001 . 0 0 "[ . 1 . 2]" 1
1175 2 8 LEU HG 2 106 TRP HE1 . . 5.500 5.529 5.501 5.557 0.057 4 0 "[ . 1 . 2]" 1
1176 2 8 LEU H 2 8 LEU HG . . 5.500 4.430 4.418 4.451 . 0 0 "[ . 1 . 2]" 1
1177 2 8 LEU HG 2 106 TRP HD1 . . 4.030 4.144 4.118 4.172 0.142 5 0 "[ . 1 . 2]" 1
1178 2 5 PHE HA 2 8 LEU HG . . 4.630 4.657 4.595 4.699 0.069 16 0 "[ . 1 . 2]" 1
1179 2 8 LEU HG 2 12 LEU HG . . 3.620 3.128 3.011 3.247 . 0 0 "[ . 1 . 2]" 1
1180 2 8 LEU HG 2 12 LEU QD . . 3.790 2.804 2.721 2.894 . 0 0 "[ . 1 . 2]" 1
1181 2 1 THR HA 2 2 VAL HA . . 5.190 4.706 4.637 4.808 . 0 0 "[ . 1 . 2]" 1
1182 2 2 VAL HA 2 5 PHE HB3 . . 3.750 2.465 2.298 2.580 . 0 0 "[ . 1 . 2]" 1
1183 2 2 VAL HA 2 99 VAL QG . . 5.500 3.608 3.351 3.893 . 0 0 "[ . 1 . 2]" 1
1184 2 96 LYS QG 2 100 ILE HB . . 5.500 5.205 4.974 5.527 0.027 3 0 "[ . 1 . 2]" 1
1185 2 3 VAL HA 2 6 GLU H . . 4.200 3.139 2.981 3.205 . 0 0 "[ . 1 . 2]" 1
1186 2 3 VAL HA 2 4 GLU H . . 3.520 3.528 3.511 3.555 0.035 2 0 "[ . 1 . 2]" 1
1187 2 3 VAL HA 2 7 GLU H . . 5.050 4.368 4.174 4.468 . 0 0 "[ . 1 . 2]" 1
1188 2 3 VAL HA 2 6 GLU QG . . 4.010 4.050 3.987 4.192 0.182 4 0 "[ . 1 . 2]" 1
1189 2 2 VAL HA 2 2 VAL QG . . 2.540 2.107 2.095 2.120 . 0 0 "[ . 1 . 2]" 1
1190 2 27 GLU HA 2 28 ILE HA . . 4.920 4.711 4.685 4.755 . 0 0 "[ . 1 . 2]" 1
1191 2 28 ILE HA 2 64 TYR HE2 . . 4.870 4.486 4.169 4.896 0.026 2 0 "[ . 1 . 2]" 1
1192 2 28 ILE HA 2 31 LYS QE . . 4.610 4.087 2.639 4.585 . 0 0 "[ . 1 . 2]" 1
1193 2 28 ILE HA 2 31 LYS HB2 . . 4.030 2.975 2.287 3.209 . 0 0 "[ . 1 . 2]" 1
1194 2 28 ILE HA 2 41 ILE MG . . 4.890 4.659 4.520 4.783 . 0 0 "[ . 1 . 2]" 1
1195 2 10 LYS HA 2 10 LYS HG3 . . 3.710 3.682 3.621 3.721 0.011 7 0 "[ . 1 . 2]" 1
1196 2 10 LYS QD 2 10 LYS HG3 . . 2.470 2.324 2.307 2.364 . 0 0 "[ . 1 . 2]" 1
1197 2 11 GLU H 2 12 LEU HG . . 4.500 4.118 4.073 4.226 . 0 0 "[ . 1 . 2]" 1
1198 2 12 LEU HG 2 73 PRO QD . . 4.670 4.497 4.340 4.708 0.038 19 0 "[ . 1 . 2]" 1
1199 2 12 LEU HA 2 12 LEU HG . . 3.410 3.172 3.099 3.235 . 0 0 "[ . 1 . 2]" 1
1200 2 100 ILE HA 2 103 SER H . . 4.420 3.992 3.886 4.061 . 0 0 "[ . 1 . 2]" 1
1201 2 100 ILE HA 2 100 ILE HG13 . . 3.880 2.727 2.688 2.752 . 0 0 "[ . 1 . 2]" 1
1202 2 99 VAL QG 2 100 ILE HA . . 4.000 3.311 3.227 3.370 . 0 0 "[ . 1 . 2]" 1
1203 2 84 SER QB 2 85 LYS HA . . 4.890 4.909 4.823 4.971 0.081 13 0 "[ . 1 . 2]" 1
1204 2 84 SER QB 2 88 GLU QB . . 5.500 5.265 4.643 5.613 0.113 8 0 "[ . 1 . 2]" 1
1205 2 84 SER QB 2 87 LYS QG . . 5.500 5.104 2.861 5.567 0.067 12 0 "[ . 1 . 2]" 1
1206 2 11 GLU H 2 14 LYS HG3 . . 5.500 5.317 5.203 5.539 0.039 5 0 "[ . 1 . 2]" 1
1207 2 14 LYS HG3 2 15 ARG H . . 3.690 2.351 2.227 2.433 . 0 0 "[ . 1 . 2]" 1
1208 2 14 LYS QE 2 14 LYS HG3 . . 3.590 3.006 2.446 3.538 . 0 0 "[ . 1 . 2]" 1
1209 2 14 LYS HG3 2 71 THR MG . . 5.500 5.571 5.490 5.596 0.096 10 0 "[ . 1 . 2]" 1
1210 2 23 LYS HG2 2 24 ILE H . . 4.770 4.417 4.379 4.482 . 0 0 "[ . 1 . 2]" 1
1211 2 23 LYS QE 2 23 LYS HG2 . . 3.330 3.327 3.322 3.332 0.002 20 0 "[ . 1 . 2]" 1
1212 2 19 LYS QG 2 23 LYS HG2 . . 5.290 5.116 4.809 5.393 0.103 6 0 "[ . 1 . 2]" 1
1213 2 111 LYS QG 2 113 LEU H . . 5.400 4.587 4.506 4.657 . 0 0 "[ . 1 . 2]" 1
1214 2 111 LYS QG 2 114 GLU H . . 5.500 5.096 5.015 5.164 . 0 0 "[ . 1 . 2]" 1
1215 2 108 VAL HA 2 111 LYS QG . . 4.380 2.369 2.201 2.539 . 0 0 "[ . 1 . 2]" 1
1216 2 64 TYR HA 2 66 MET H . . 5.330 4.220 4.139 4.278 . 0 0 "[ . 1 . 2]" 1
1217 2 63 LEU H 2 64 TYR HA . . 5.150 5.209 5.187 5.235 0.085 11 0 "[ . 1 . 2]" 1
1218 2 64 TYR HA 2 67 LYS H . . 4.280 3.458 3.372 3.580 . 0 0 "[ . 1 . 2]" 1
1219 2 64 TYR HA 2 64 TYR HD2 . . 4.240 4.208 4.169 4.234 . 0 0 "[ . 1 . 2]" 1
1220 2 37 ILE MD 2 64 TYR HA . . 4.490 4.541 4.427 4.625 0.135 15 0 "[ . 1 . 2]" 1
1221 2 106 TRP HE1 2 110 LYS HG2 . . 5.500 5.408 5.118 5.565 0.065 5 0 "[ . 1 . 2]" 1
1222 2 110 LYS HG2 2 111 LYS HA . . 5.310 4.645 4.449 4.829 . 0 0 "[ . 1 . 2]" 1
1223 2 110 LYS H 2 110 LYS HG2 . . 3.790 2.198 2.100 2.422 . 0 0 "[ . 1 . 2]" 1
1224 2 106 TRP HD1 2 110 LYS HG2 . . 5.500 5.378 5.185 5.492 . 0 0 "[ . 1 . 2]" 1
1225 2 110 LYS HG2 2 111 LYS H . . 4.230 2.516 2.411 2.697 . 0 0 "[ . 1 . 2]" 1
1226 2 110 LYS HA 2 110 LYS HG2 . . 3.800 3.748 3.707 3.808 0.008 6 0 "[ . 1 . 2]" 1
1227 2 110 LYS HG2 2 111 LYS QB . . 5.070 3.812 3.610 3.981 . 0 0 "[ . 1 . 2]" 1
1228 2 46 THR MG 2 81 PRO HA . . 4.760 4.145 4.066 4.328 . 0 0 "[ . 1 . 2]" 1
1229 2 81 PRO HA 2 82 ARG HA . . 4.570 4.411 4.379 4.424 . 0 0 "[ . 1 . 2]" 1
1230 2 81 PRO HA 2 82 ARG HB3 . . 5.500 4.592 4.453 4.942 . 0 0 "[ . 1 . 2]" 1
1231 2 29 CYS H 2 30 THR HA . . 5.400 5.182 5.128 5.265 . 0 0 "[ . 1 . 2]" 1
1232 2 29 CYS QB 2 30 THR HA . . 4.610 4.259 3.957 4.387 . 0 0 "[ . 1 . 2]" 1
1233 2 30 THR HA 2 30 THR MG . . 3.220 3.207 3.196 3.219 . 0 0 "[ . 1 . 2]" 1
1234 2 41 ILE HA 2 41 ILE QG . . 3.090 2.857 2.825 2.907 . 0 0 "[ . 1 . 2]" 1
1235 2 41 ILE HA 2 41 ILE MG . . 2.670 2.418 2.353 2.477 . 0 0 "[ . 1 . 2]" 1
1236 2 97 TYR HA 2 100 ILE MG . . 4.140 4.130 3.994 4.202 0.062 5 0 "[ . 1 . 2]" 1
1237 2 97 TYR HA 2 100 ILE HB . . 4.590 2.843 2.706 2.916 . 0 0 "[ . 1 . 2]" 1
1238 2 97 TYR HA 2 100 ILE HG13 . . 5.020 4.183 4.112 4.234 . 0 0 "[ . 1 . 2]" 1
1239 2 77 LEU QD 2 94 THR MG . . 5.200 3.473 3.103 3.679 . 0 0 "[ . 1 . 2]" 1
1240 2 86 ALA H 2 94 THR MG . . 5.390 4.430 4.337 4.556 . 0 0 "[ . 1 . 2]" 1
1241 2 96 LYS QB 2 97 TYR HA . . 5.350 4.593 4.364 4.682 . 0 0 "[ . 1 . 2]" 1
1242 2 103 SER HA 2 107 SER H . . 5.410 4.079 3.980 4.222 . 0 0 "[ . 1 . 2]" 1
1243 2 94 THR H 2 94 THR MG . . 4.420 1.928 1.836 1.957 . 0 0 "[ . 1 . 2]" 1
1244 2 87 LYS H 2 94 THR MG . . 4.600 3.954 3.822 4.103 . 0 0 "[ . 1 . 2]" 1
1245 2 94 THR MG 2 97 TYR HD2 . . 5.010 4.529 4.315 4.654 . 0 0 "[ . 1 . 2]" 1
1246 2 87 LYS HA 2 94 THR MG . . 3.540 3.448 3.172 3.643 0.103 11 0 "[ . 1 . 2]" 1
1247 2 94 THR MG 2 95 GLN HA . . 5.450 5.370 5.343 5.404 . 0 0 "[ . 1 . 2]" 1
1248 2 94 THR MG 2 97 TYR QB . . 3.840 3.923 3.883 3.949 0.109 9 0 "[ . 1 . 2]" 1
1249 2 88 GLU QB 2 94 THR MG . . 5.420 4.901 4.366 5.399 . 0 0 "[ . 1 . 2]" 1
1250 2 77 LEU HG 2 94 THR MG . . 5.450 5.457 4.972 5.583 0.133 1 0 "[ . 1 . 2]" 1
1251 2 12 LEU HG 2 71 THR MG . . 4.240 4.233 4.188 4.256 0.016 5 0 "[ . 1 . 2]" 1
1252 2 70 VAL H 2 71 THR MG . . 4.160 4.040 3.639 4.209 0.049 5 0 "[ . 1 . 2]" 1
1253 2 71 THR MG 2 72 ASP H . . 4.250 3.937 3.854 3.986 . 0 0 "[ . 1 . 2]" 1
1254 2 71 THR MG 2 106 TRP HH2 . . 3.800 3.856 3.719 3.896 0.096 13 0 "[ . 1 . 2]" 1
1255 2 71 THR MG 2 106 TRP HZ3 . . 3.550 3.260 2.944 3.385 . 0 0 "[ . 1 . 2]" 1
1256 2 16 ASP HA 2 71 THR MG . . 3.360 3.345 3.107 3.419 0.059 18 0 "[ . 1 . 2]" 1
1257 2 12 LEU HA 2 71 THR MG . . 3.500 2.362 2.287 2.422 . 0 0 "[ . 1 . 2]" 1
1258 2 15 ARG QB 2 71 THR MG . . 2.990 2.663 2.408 3.062 0.072 20 0 "[ . 1 . 2]" 1
1259 2 12 LEU QD 2 71 THR MG . . 3.120 2.119 2.064 2.208 . 0 0 "[ . 1 . 2]" 1
1260 2 40 ILE HA 2 46 THR HA . . 4.820 4.092 3.773 4.387 . 0 0 "[ . 1 . 2]" 1
1261 2 46 THR MG 2 82 ARG H . . 4.550 4.530 4.341 4.618 0.068 12 0 "[ . 1 . 2]" 1
1262 2 46 THR H 2 46 THR MG . . 3.320 2.350 2.283 2.504 . 0 0 "[ . 1 . 2]" 1
1263 2 45 LYS HA 2 46 THR MG . . 3.940 3.032 2.928 3.828 . 0 0 "[ . 1 . 2]" 1
1264 2 46 THR MG 2 82 ARG QD . . 4.270 3.939 3.657 4.483 0.213 9 0 "[ . 1 . 2]" 1
1265 2 46 THR MG 2 81 PRO HB2 . . 3.940 2.530 2.276 2.693 . 0 0 "[ . 1 . 2]" 1
1266 2 40 ILE MD 2 46 THR MG . . 4.410 4.108 4.043 4.169 . 0 0 "[ . 1 . 2]" 1
1267 2 16 ASP QB 2 70 VAL HA . . 4.880 4.411 4.217 4.584 . 0 0 "[ . 1 . 2]" 1
1268 2 39 GLU QB 2 40 ILE HA . . 5.020 4.022 3.846 4.374 . 0 0 "[ . 1 . 2]" 1
1269 2 40 ILE HA 2 42 CYS H . . 4.840 4.261 4.108 4.393 . 0 0 "[ . 1 . 2]" 1
1270 2 60 HIS HA 2 64 TYR H . . 5.360 4.465 4.372 4.553 . 0 0 "[ . 1 . 2]" 1
1271 2 60 HIS HA 2 63 LEU HB2 . . 4.100 2.917 2.749 3.046 . 0 0 "[ . 1 . 2]" 1
1272 2 24 ILE H 2 25 LYS HA . . 5.500 5.335 5.318 5.349 . 0 0 "[ . 1 . 2]" 1
1273 2 25 LYS HA 2 25 LYS QE . . 4.870 4.098 4.051 4.125 . 0 0 "[ . 1 . 2]" 1
1274 2 25 LYS HA 2 26 GLU QB . . 5.500 5.160 5.149 5.181 . 0 0 "[ . 1 . 2]" 1
1275 2 25 LYS HA 2 27 GLU HG3 . . 5.500 5.538 4.734 5.647 0.147 15 0 "[ . 1 . 2]" 1
1276 2 25 LYS HA 2 25 LYS HG3 . . 4.190 4.220 4.206 4.228 0.038 15 0 "[ . 1 . 2]" 1
1277 2 25 LYS HA 2 41 ILE MG . . 3.140 2.217 2.047 2.350 . 0 0 "[ . 1 . 2]" 1
1278 2 25 LYS HA 2 28 ILE MD . . 3.550 2.905 2.672 3.060 . 0 0 "[ . 1 . 2]" 1
1279 2 49 ASP QB 2 50 VAL HA . . 4.910 4.512 4.283 4.656 . 0 0 "[ . 1 . 2]" 1
1280 2 50 VAL HA 2 50 VAL MG1 . . 2.880 2.379 2.302 2.419 . 0 0 "[ . 1 . 2]" 1
1281 2 40 ILE MD 2 50 VAL HA . . 5.500 5.430 5.120 5.567 0.067 9 0 "[ . 1 . 2]" 1
1282 2 12 LEU QD 2 71 THR HA . . 4.340 4.237 4.172 4.319 . 0 0 "[ . 1 . 2]" 1
1283 2 70 VAL H 2 71 THR HA . . 5.200 4.461 4.303 4.582 . 0 0 "[ . 1 . 2]" 1
1284 2 56 ARG HA 2 60 HIS H . . 4.620 3.675 3.511 3.768 . 0 0 "[ . 1 . 2]" 1
1285 2 52 ILE MD 2 56 ARG HA . . 5.500 4.347 4.264 4.492 . 0 0 "[ . 1 . 2]" 1
1286 2 60 HIS HA 2 63 LEU MD1 . . 3.620 2.579 2.356 2.917 . 0 0 "[ . 1 . 2]" 1
1287 2 29 CYS HA 2 30 THR MG . . 5.280 5.136 5.009 5.260 . 0 0 "[ . 1 . 2]" 1
1288 2 29 CYS QB 2 30 THR MG . . 5.500 4.532 4.153 4.679 . 0 0 "[ . 1 . 2]" 1
1289 2 30 THR MG 2 31 LYS QE . . 4.920 3.380 2.400 3.880 . 0 0 "[ . 1 . 2]" 1
1290 2 30 THR MG 2 31 LYS HB2 . . 4.580 4.077 3.921 4.416 . 0 0 "[ . 1 . 2]" 1
1291 2 29 CYS H 2 30 THR MG . . 4.050 4.023 3.914 4.061 0.011 15 0 "[ . 1 . 2]" 1
1292 2 5 PHE HA 2 8 LEU HB2 . . 3.670 3.549 3.510 3.657 . 0 0 "[ . 1 . 2]" 1
1293 2 5 PHE HA 2 9 ARG HG3 . . 5.500 4.915 4.801 4.983 . 0 0 "[ . 1 . 2]" 1
1294 2 5 PHE HA 2 98 PHE HE1 . . 3.180 2.759 2.614 2.829 . 0 0 "[ . 1 . 2]" 1
1295 2 56 ARG HA 2 59 TRP H . . 4.540 2.956 2.852 3.271 . 0 0 "[ . 1 . 2]" 1
1296 2 56 ARG HA 2 60 HIS HD2 . . 5.170 4.015 3.416 4.129 . 0 0 "[ . 1 . 2]" 1
1297 2 59 TRP HA 2 62 ILE HB . . 4.540 2.847 2.775 2.918 . 0 0 "[ . 1 . 2]" 1
1298 2 59 TRP HA 2 101 THR MG . . 3.710 3.735 3.593 3.789 0.079 7 0 "[ . 1 . 2]" 1
1299 2 101 THR MG 2 102 LEU H . . 3.750 3.529 3.460 3.598 . 0 0 "[ . 1 . 2]" 1
1300 2 101 THR MG 2 103 SER H . . 5.290 5.060 5.008 5.119 . 0 0 "[ . 1 . 2]" 1
1301 2 101 THR H 2 101 THR MG . . 3.910 3.755 3.744 3.764 . 0 0 "[ . 1 . 2]" 1
1302 2 97 TYR QE 2 101 THR MG . . 4.620 3.685 3.562 3.813 . 0 0 "[ . 1 . 2]" 1
1303 2 59 TRP HE3 2 101 THR MG . . 3.160 2.753 2.664 2.850 . 0 0 "[ . 1 . 2]" 1
1304 2 59 TRP QB 2 101 THR MG . . 4.250 4.012 3.913 4.111 . 0 0 "[ . 1 . 2]" 1
1305 2 58 ASP QB 2 101 THR MG . . 4.470 3.851 3.732 4.034 . 0 0 "[ . 1 . 2]" 1
1306 2 101 THR MG 2 105 ALA MB . . 3.090 2.999 2.956 3.081 . 0 0 "[ . 1 . 2]" 1
1307 2 62 ILE MD 2 101 THR MG . . 2.700 2.237 2.090 2.329 . 0 0 "[ . 1 . 2]" 1
1308 2 62 ILE MG 2 101 THR MG . . 3.760 3.134 2.928 3.219 . 0 0 "[ . 1 . 2]" 1
1309 2 101 THR MG 2 102 LEU QD . . 4.010 2.514 2.455 2.575 . 0 0 "[ . 1 . 2]" 1
1310 2 47 TYR HA 2 51 ASN H . . 5.500 4.586 4.512 4.786 . 0 0 "[ . 1 . 2]" 1
1311 2 47 TYR HA 2 57 GLY H . . 5.500 5.312 5.168 5.414 . 0 0 "[ . 1 . 2]" 1
1312 2 47 TYR HA 2 57 GLY HA3 . . 4.090 3.654 3.549 3.798 . 0 0 "[ . 1 . 2]" 1
1313 2 47 TYR HA 2 48 ALA MB . . 5.280 4.979 4.943 5.024 . 0 0 "[ . 1 . 2]" 1
1314 2 47 TYR HA 2 50 VAL MG1 . . 4.960 4.367 4.166 4.631 . 0 0 "[ . 1 . 2]" 1
1315 2 47 TYR HA 2 52 ILE MG . . 3.640 2.401 2.261 2.499 . 0 0 "[ . 1 . 2]" 1
1316 2 40 ILE MD 2 47 TYR HA . . 3.830 3.032 2.784 3.279 . 0 0 "[ . 1 . 2]" 1
1317 2 47 TYR HA 2 49 ASP QB . . 5.500 4.435 4.262 4.680 . 0 0 "[ . 1 . 2]" 1
1318 2 46 THR MG 2 47 TYR HA . . 4.680 4.270 3.967 4.367 . 0 0 "[ . 1 . 2]" 1
1319 2 104 LYS HA 2 107 SER H . . 4.030 3.593 3.550 3.647 . 0 0 "[ . 1 . 2]" 1
1320 2 104 LYS HA 2 104 LYS QE . . 4.290 2.656 1.830 4.446 0.156 11 0 "[ . 1 . 2]" 1
1321 2 104 LYS HA 2 105 ALA MB . . 5.200 5.042 5.027 5.054 . 0 0 "[ . 1 . 2]" 1
1322 2 22 GLU HA 2 25 LYS H . . 4.410 4.036 3.943 4.076 . 0 0 "[ . 1 . 2]" 1
1323 2 66 MET HA 2 68 HIS H . . 4.640 4.120 3.959 4.172 . 0 0 "[ . 1 . 2]" 1
1324 2 59 TRP HA 2 62 ILE MD . . 2.960 2.789 2.649 2.886 . 0 0 "[ . 1 . 2]" 1
1325 2 12 LEU QD 2 66 MET HA . . 5.070 4.697 4.568 4.824 . 0 0 "[ . 1 . 2]" 1
1326 2 96 LYS HA 2 99 VAL H . . 4.190 3.299 3.164 3.452 . 0 0 "[ . 1 . 2]" 1
1327 2 96 LYS HA 2 97 TYR HA . . 4.950 4.767 4.735 4.795 . 0 0 "[ . 1 . 2]" 1
1328 2 96 LYS HA 2 99 VAL HB . . 3.690 2.684 2.462 2.824 . 0 0 "[ . 1 . 2]" 1
1329 2 1 THR MG 2 96 LYS HA . . 4.150 2.550 2.114 3.623 . 0 0 "[ . 1 . 2]" 1
1330 2 2 VAL QG 2 96 LYS HA . . 5.500 5.524 5.254 5.621 0.121 10 0 "[ . 1 . 2]" 1
1331 2 96 LYS HA 2 99 VAL QG . . 3.790 3.128 3.009 3.243 . 0 0 "[ . 1 . 2]" 1
1332 2 96 LYS HA 2 100 ILE HB . . 5.500 5.547 5.422 5.601 0.101 10 0 "[ . 1 . 2]" 1
1333 2 55 SER HA 2 57 GLY H . . 5.390 4.521 4.326 4.711 . 0 0 "[ . 1 . 2]" 1
1334 2 84 SER HA 2 86 ALA H . . 4.800 3.707 3.549 3.885 . 0 0 "[ . 1 . 2]" 1
1335 2 51 ASN HA 2 52 ILE HA . . 5.180 4.662 4.613 4.685 . 0 0 "[ . 1 . 2]" 1
1336 2 84 SER HA 2 85 LYS HA . . 5.500 4.384 4.322 4.428 . 0 0 "[ . 1 . 2]" 1
1337 2 16 ASP QB 2 17 SER HA . . 4.990 4.847 4.749 4.953 . 0 0 "[ . 1 . 2]" 1
1338 2 17 SER HA 2 19 LYS QE . . 4.580 4.397 4.160 4.608 0.028 11 0 "[ . 1 . 2]" 1
1339 2 22 GLU HA 2 23 LYS HA . . 5.150 4.672 4.660 4.679 . 0 0 "[ . 1 . 2]" 1
1340 2 23 LYS HA 2 26 GLU HA . . 5.500 5.199 5.106 5.255 . 0 0 "[ . 1 . 2]" 1
1341 2 26 GLU HA 2 29 CYS QB . . 4.210 3.149 2.731 3.404 . 0 0 "[ . 1 . 2]" 1
1342 2 10 LYS HA 2 13 VAL H . . 3.900 3.391 3.294 3.445 . 0 0 "[ . 1 . 2]" 1
1343 2 10 LYS HA 2 10 LYS QE . . 4.770 4.227 4.131 4.403 . 0 0 "[ . 1 . 2]" 1
1344 2 10 LYS HA 2 13 VAL HB . . 3.300 2.672 2.582 2.785 . 0 0 "[ . 1 . 2]" 1
1345 2 10 LYS HA 2 10 LYS QD . . 3.780 3.573 3.541 3.626 . 0 0 "[ . 1 . 2]" 1
1346 2 10 LYS HA 2 12 LEU HB2 . . 5.360 5.332 5.263 5.373 0.013 7 0 "[ . 1 . 2]" 1
1347 2 9 ARG HG3 2 10 LYS HA . . 4.800 4.052 3.984 4.166 . 0 0 "[ . 1 . 2]" 1
1348 2 10 LYS HA 2 13 VAL MG2 . . 3.330 3.417 3.378 3.458 0.128 7 0 "[ . 1 . 2]" 1
1349 2 110 LYS HA 2 114 GLU HB3 . . 5.140 4.938 4.904 4.985 . 0 0 "[ . 1 . 2]" 1
1350 2 110 LYS HA 2 111 LYS HA . . 5.010 4.700 4.678 4.721 . 0 0 "[ . 1 . 2]" 1
1351 2 51 ASN H 2 52 ILE HA . . 5.500 5.445 5.383 5.527 0.027 13 0 "[ . 1 . 2]" 1
1352 2 83 ASP H 2 84 SER HA . . 5.500 5.080 4.997 5.130 . 0 0 "[ . 1 . 2]" 1
1353 2 52 ILE HA 2 52 ILE MG . . 3.520 3.227 3.223 3.231 . 0 0 "[ . 1 . 2]" 1
1354 2 52 ILE HA 2 52 ILE MD . . 3.700 3.681 3.576 3.701 0.001 7 0 "[ . 1 . 2]" 1
1355 2 26 GLU HA 2 26 GLU QB . . 2.580 2.357 2.343 2.368 . 0 0 "[ . 1 . 2]" 1
1356 2 25 LYS HG3 2 26 GLU HA . . 4.740 4.803 4.744 4.829 0.089 16 0 "[ . 1 . 2]" 1
1357 2 26 GLU HA 2 27 GLU H . . 3.560 3.597 3.589 3.607 0.047 13 0 "[ . 1 . 2]" 1
1358 2 6 GLU HA 2 6 GLU QG . . 3.450 3.019 2.504 3.120 . 0 0 "[ . 1 . 2]" 1
1359 2 39 GLU HA 2 39 GLU QG . . 3.580 2.810 2.288 3.016 . 0 0 "[ . 1 . 2]" 1
1360 2 39 GLU HA 2 39 GLU QB . . 2.610 2.386 2.350 2.419 . 0 0 "[ . 1 . 2]" 1
1361 2 27 GLU HA 2 30 THR MG . . 3.620 2.297 2.093 2.510 . 0 0 "[ . 1 . 2]" 1
1362 2 6 GLU HA 2 9 ARG H . . 4.280 3.786 3.664 3.988 . 0 0 "[ . 1 . 2]" 1
1363 2 6 GLU HA 2 10 LYS H . . 4.830 4.229 4.118 4.383 . 0 0 "[ . 1 . 2]" 1
1364 2 27 GLU HA 2 31 LYS H . . 5.500 4.910 4.601 5.372 . 0 0 "[ . 1 . 2]" 1
1365 2 27 GLU HA 2 31 LYS QE . . 4.840 3.951 3.849 4.086 . 0 0 "[ . 1 . 2]" 1
1366 2 27 GLU HA 2 27 GLU QB . . 2.690 2.179 2.169 2.187 . 0 0 "[ . 1 . 2]" 1
1367 2 6 GLU HA 2 9 ARG HG3 . . 4.190 2.565 2.398 2.766 . 0 0 "[ . 1 . 2]" 1
1368 2 106 TRP HZ2 2 110 LYS HA . . 5.500 5.422 5.172 5.547 0.047 19 0 "[ . 1 . 2]" 1
1369 2 110 LYS HA 2 113 LEU H . . 3.810 3.285 3.244 3.324 . 0 0 "[ . 1 . 2]" 1
1370 2 110 LYS HA 2 112 TYR H . . 4.310 3.972 3.919 4.027 . 0 0 "[ . 1 . 2]" 1
1371 2 110 LYS HA 2 112 TYR HD2 . . 5.110 4.679 4.610 4.740 . 0 0 "[ . 1 . 2]" 1
1372 2 110 LYS HA 2 110 LYS QD . . 4.620 4.381 4.187 4.503 . 0 0 "[ . 1 . 2]" 1
1373 2 110 LYS HA 2 113 LEU QD . . 2.940 2.491 2.447 2.532 . 0 0 "[ . 1 . 2]" 1
1374 2 86 ALA MB 2 97 TYR QB . . 4.430 3.962 3.841 4.089 . 0 0 "[ . 1 . 2]" 1
1375 2 112 TYR HA 2 113 LEU H . . 3.520 3.495 3.484 3.503 . 0 0 "[ . 1 . 2]" 1
1376 2 111 LYS QB 2 112 TYR HA . . 4.590 4.653 4.627 4.670 0.080 4 0 "[ . 1 . 2]" 1
1377 2 111 LYS QG 2 112 TYR HA . . 4.290 3.380 3.311 3.485 . 0 0 "[ . 1 . 2]" 1
1378 2 95 GLN HA 2 95 GLN QG . . 3.380 3.354 3.349 3.360 . 0 0 "[ . 1 . 2]" 1
1379 2 98 PHE HA 2 101 THR HB . . 3.530 2.963 2.882 3.044 . 0 0 "[ . 1 . 2]" 1
1380 2 98 PHE HA 2 102 LEU HG . . 5.030 4.735 4.556 4.885 . 0 0 "[ . 1 . 2]" 1
1381 2 98 PHE HA 2 102 LEU QD . . 3.890 2.464 2.344 2.576 . 0 0 "[ . 1 . 2]" 1
1382 2 98 PHE HA 2 101 THR H . . 4.730 3.488 3.444 3.590 . 0 0 "[ . 1 . 2]" 1
1383 2 97 TYR QE 2 98 PHE HA . . 4.980 4.021 3.914 4.159 . 0 0 "[ . 1 . 2]" 1
1384 2 11 GLU HA 2 12 LEU QD . . 5.110 4.943 4.861 5.014 . 0 0 "[ . 1 . 2]" 1
1385 2 66 MET H 2 67 LYS HA . . 5.470 5.241 5.179 5.258 . 0 0 "[ . 1 . 2]" 1
1386 2 67 LYS HA 2 69 GLY H . . 4.460 3.634 3.378 3.729 . 0 0 "[ . 1 . 2]" 1
1387 2 86 ALA MB 2 98 PHE H . . 5.100 5.152 5.100 5.189 0.089 18 0 "[ . 1 . 2]" 1
1388 2 86 ALA MB 2 98 PHE HA . . 5.500 5.019 4.940 5.121 . 0 0 "[ . 1 . 2]" 1
1389 2 86 ALA MB 2 94 THR MG . . 5.050 3.790 3.674 3.872 . 0 0 "[ . 1 . 2]" 1
1390 2 7 GLU HA 2 9 ARG H . . 4.830 4.603 4.569 4.652 . 0 0 "[ . 1 . 2]" 1
1391 2 6 GLU H 2 7 GLU HA . . 5.460 5.318 5.272 5.368 . 0 0 "[ . 1 . 2]" 1
1392 2 7 GLU HA 2 10 LYS QE . . 3.540 3.038 2.911 3.094 . 0 0 "[ . 1 . 2]" 1
1393 2 6 GLU QG 2 7 GLU HA . . 3.970 3.371 3.313 3.404 . 0 0 "[ . 1 . 2]" 1
1394 2 13 VAL H 2 14 LYS HA . . 5.360 5.171 5.150 5.205 . 0 0 "[ . 1 . 2]" 1
1395 2 14 LYS H 2 14 LYS HA . . 2.920 2.904 2.899 2.909 . 0 0 "[ . 1 . 2]" 1
1396 2 14 LYS HA 2 14 LYS QB . . 2.570 2.177 2.169 2.186 . 0 0 "[ . 1 . 2]" 1
1397 2 14 LYS HA 2 14 LYS HG3 . . 3.670 3.615 3.584 3.673 0.003 9 0 "[ . 1 . 2]" 1
1398 2 13 VAL HA 2 14 LYS HA . . 4.880 4.720 4.708 4.736 . 0 0 "[ . 1 . 2]" 1
1399 2 77 LEU H 2 78 GLU HA . . 5.150 5.087 4.973 5.186 0.036 9 0 "[ . 1 . 2]" 1
1400 2 11 GLU HA 2 14 LYS H . . 3.960 3.438 3.347 3.521 . 0 0 "[ . 1 . 2]" 1
1401 2 10 LYS HA 2 11 GLU HA . . 5.220 4.724 4.686 4.752 . 0 0 "[ . 1 . 2]" 1
1402 2 77 LEU HA 2 78 GLU HA . . 5.500 4.715 4.663 4.767 . 0 0 "[ . 1 . 2]" 1
1403 2 11 GLU HA 2 11 GLU HG3 . . 3.090 2.910 2.804 3.147 0.057 5 0 "[ . 1 . 2]" 1
1404 2 11 GLU HA 2 11 GLU QB . . 2.550 2.426 2.356 2.449 . 0 0 "[ . 1 . 2]" 1
1405 2 11 GLU HA 2 13 VAL H . . 4.840 4.317 4.221 4.396 . 0 0 "[ . 1 . 2]" 1
1406 2 11 GLU HA 2 12 LEU HA . . 5.020 4.735 4.696 4.760 . 0 0 "[ . 1 . 2]" 1
1407 2 10 LYS QE 2 11 GLU HA . . 4.270 3.720 3.512 3.936 . 0 0 "[ . 1 . 2]" 1
1408 2 11 GLU HA 2 14 LYS QE . . 4.590 4.016 3.099 4.607 0.017 7 0 "[ . 1 . 2]" 1
1409 2 11 GLU HA 2 14 LYS QB . . 3.470 3.525 3.422 3.602 0.132 13 0 "[ . 1 . 2]" 1
1410 2 64 TYR H 2 65 LEU HA . . 5.470 5.290 5.258 5.340 . 0 0 "[ . 1 . 2]" 1
1411 2 63 LEU HA 2 65 LEU H . . 5.480 4.414 4.326 4.459 . 0 0 "[ . 1 . 2]" 1
1412 2 86 ALA MB 2 98 PHE HB2 . . 4.900 4.766 4.641 4.880 . 0 0 "[ . 1 . 2]" 1
1413 2 77 LEU QD 2 86 ALA MB . . 3.270 2.483 2.091 2.794 . 0 0 "[ . 1 . 2]" 1
1414 2 106 TRP HA 2 109 VAL HB . . 3.990 3.185 2.746 3.910 . 0 0 "[ . 1 . 2]" 1
1415 2 29 CYS HA 2 41 ILE MG . . 5.020 4.320 3.784 4.651 . 0 0 "[ . 1 . 2]" 1
1416 2 28 ILE MG 2 29 CYS HA . . 3.450 3.138 3.007 3.458 0.008 19 0 "[ . 1 . 2]" 1
1417 2 82 ARG HA 2 82 ARG QD . . 4.070 3.696 3.616 3.804 . 0 0 "[ . 1 . 2]" 1
1418 2 110 LYS H 2 111 LYS HA . . 5.470 5.275 5.246 5.297 . 0 0 "[ . 1 . 2]" 1
1419 2 111 LYS HA 2 112 TYR HA . . 4.960 4.726 4.708 4.748 . 0 0 "[ . 1 . 2]" 1
1420 2 111 LYS HA 2 111 LYS QE . . 4.470 4.210 4.122 4.273 . 0 0 "[ . 1 . 2]" 1
1421 2 111 LYS HA 2 111 LYS QB . . 2.550 2.178 2.171 2.187 . 0 0 "[ . 1 . 2]" 1
1422 2 111 LYS HA 2 111 LYS QG . . 3.360 3.340 3.321 3.361 0.001 7 0 "[ . 1 . 2]" 1
1423 2 77 LEU HA 2 79 LEU H . . 4.230 4.270 4.143 4.320 0.090 15 0 "[ . 1 . 2]" 1
1424 2 77 LEU HA 2 80 LEU H . . 3.790 3.769 3.411 3.911 0.121 5 0 "[ . 1 . 2]" 1
1425 2 77 LEU HA 2 77 LEU QD . . 3.090 2.023 1.981 2.069 . 0 0 "[ . 1 . 2]" 1
1426 2 102 LEU HA 2 104 LYS H . . 4.940 4.395 4.345 4.454 . 0 0 "[ . 1 . 2]" 1
1427 2 102 LEU HA 2 102 LEU HG . . 3.740 3.677 3.656 3.687 . 0 0 "[ . 1 . 2]" 1
1428 2 102 LEU HA 2 105 ALA MB . . 3.000 2.450 2.324 2.583 . 0 0 "[ . 1 . 2]" 1
1429 2 62 ILE MG 2 102 LEU HA . . 3.720 3.513 3.368 3.630 . 0 0 "[ . 1 . 2]" 1
1430 2 102 LEU HA 2 102 LEU QD . . 2.990 1.904 1.885 1.921 . 0 0 "[ . 1 . 2]" 1
1431 2 86 ALA H 2 87 LYS HA . . 5.500 5.337 5.309 5.385 . 0 0 "[ . 1 . 2]" 1
1432 2 87 LYS HA 2 89 ASN QB . . 5.190 4.398 4.077 5.167 . 0 0 "[ . 1 . 2]" 1
1433 2 87 LYS HA 2 87 LYS QG . . 3.600 2.771 2.232 3.351 . 0 0 "[ . 1 . 2]" 1
1434 2 77 LEU QD 2 87 LYS HA . . 4.830 3.700 3.413 3.955 . 0 0 "[ . 1 . 2]" 1
1435 2 4 GLU HA 2 4 GLU QG . . 2.900 2.445 2.255 2.877 . 0 0 "[ . 1 . 2]" 1
1436 2 4 GLU HA 2 6 GLU H . . 4.860 4.139 4.073 4.203 . 0 0 "[ . 1 . 2]" 1
1437 2 8 LEU HA 2 106 TRP HD1 . . 4.950 4.583 4.448 4.729 . 0 0 "[ . 1 . 2]" 1
1438 2 8 LEU HA 2 12 LEU HG . . 4.600 4.523 4.461 4.621 0.021 11 0 "[ . 1 . 2]" 1
1439 2 8 LEU HA 2 12 LEU QD . . 4.800 4.581 4.541 4.617 . 0 0 "[ . 1 . 2]" 1
1440 2 8 LEU HA 2 11 GLU H . . 3.770 3.571 3.515 3.649 . 0 0 "[ . 1 . 2]" 1
1441 2 5 PHE HA 2 8 LEU HA . . 5.140 5.220 5.186 5.275 0.135 6 0 "[ . 1 . 2]" 1
1442 2 8 LEU HA 2 8 LEU HG . . 3.560 3.037 3.005 3.065 . 0 0 "[ . 1 . 2]" 1
1443 2 8 LEU HA 2 8 LEU QD . . 2.810 2.057 2.032 2.082 . 0 0 "[ . 1 . 2]" 1
1444 2 58 ASP HA 2 61 VAL HB . . 4.160 2.717 2.581 2.866 . 0 0 "[ . 1 . 2]" 1
1445 2 58 ASP HA 2 61 VAL MG1 . . 4.070 3.994 3.813 4.096 0.026 4 0 "[ . 1 . 2]" 1
1446 2 58 ASP HA 2 62 ILE HG13 . . 4.220 3.839 3.761 3.885 . 0 0 "[ . 1 . 2]" 1
1447 2 58 ASP HA 2 62 ILE MD . . 4.480 4.016 3.904 4.142 . 0 0 "[ . 1 . 2]" 1
1448 2 74 ASP HA 2 78 GLU H . . 4.630 4.354 4.230 4.531 . 0 0 "[ . 1 . 2]" 1
1449 2 74 ASP HA 2 77 LEU QB . . 5.500 3.304 2.907 3.787 . 0 0 "[ . 1 . 2]" 1
1450 2 67 LYS H 2 68 HIS HA . . 5.260 5.185 5.108 5.204 . 0 0 "[ . 1 . 2]" 1
1451 2 47 TYR H 2 48 ALA MB . . 4.030 3.403 3.359 3.452 . 0 0 "[ . 1 . 2]" 1
1452 2 48 ALA H 2 48 ALA MB . . 2.830 2.185 2.177 2.198 . 0 0 "[ . 1 . 2]" 1
1453 2 48 ALA MB 2 51 ASN H . . 4.370 4.281 4.167 4.389 0.019 13 0 "[ . 1 . 2]" 1
1454 2 48 ALA MB 2 49 ASP H . . 3.060 2.945 2.883 2.996 . 0 0 "[ . 1 . 2]" 1
1455 2 48 ALA MB 2 50 VAL H . . 4.780 4.593 4.494 4.650 . 0 0 "[ . 1 . 2]" 1
1456 2 47 TYR HD2 2 48 ALA MB . . 5.000 3.782 3.514 4.063 . 0 0 "[ . 1 . 2]" 1
1457 2 45 LYS HA 2 48 ALA MB . . 4.610 4.088 3.940 4.341 . 0 0 "[ . 1 . 2]" 1
1458 2 46 THR MG 2 48 ALA MB . . 5.500 3.700 3.614 3.946 . 0 0 "[ . 1 . 2]" 1
1459 2 24 ILE HA 2 24 ILE MG . . 2.740 2.635 2.605 2.661 . 0 0 "[ . 1 . 2]" 1
1460 2 24 ILE MG 2 25 LYS QE . . 4.560 3.760 3.631 3.837 . 0 0 "[ . 1 . 2]" 1
1461 2 24 ILE MG 2 27 GLU H . . 5.200 4.997 4.951 5.019 . 0 0 "[ . 1 . 2]" 1
1462 2 24 ILE MG 2 28 ILE H . . 5.470 4.568 4.522 4.642 . 0 0 "[ . 1 . 2]" 1
1463 2 24 ILE H 2 24 ILE MG . . 3.670 3.652 3.639 3.674 0.004 11 0 "[ . 1 . 2]" 1
1464 2 24 ILE MG 2 65 LEU HA . . 4.990 4.627 4.510 4.827 . 0 0 "[ . 1 . 2]" 1
1465 2 24 ILE MG 2 65 LEU MD2 . . 3.960 2.301 2.186 2.398 . 0 0 "[ . 1 . 2]" 1
1466 2 24 ILE MG 2 25 LYS HB3 . . 3.850 3.479 3.429 3.555 . 0 0 "[ . 1 . 2]" 1
1467 2 24 ILE MG 2 28 ILE MD . . 5.500 2.160 2.071 2.325 . 0 0 "[ . 1 . 2]" 1
1468 2 68 HIS HA 2 70 VAL H . . 5.260 4.685 4.509 4.874 . 0 0 "[ . 1 . 2]" 1
1469 2 48 ALA MB 2 49 ASP HA . . 4.010 3.947 3.896 3.983 . 0 0 "[ . 1 . 2]" 1
1470 2 49 ASP HA 2 50 VAL MG1 . . 4.630 4.374 4.288 4.478 . 0 0 "[ . 1 . 2]" 1
1471 2 49 ASP HA 2 51 ASN H . . 4.240 4.141 4.056 4.235 . 0 0 "[ . 1 . 2]" 1
1472 2 23 LYS HA 2 25 LYS H . . 4.810 4.627 4.572 4.710 . 0 0 "[ . 1 . 2]" 1
1473 2 23 LYS HA 2 24 ILE HA . . 5.010 4.779 4.754 4.792 . 0 0 "[ . 1 . 2]" 1
1474 2 23 LYS HA 2 23 LYS QE . . 4.020 2.383 2.343 2.422 . 0 0 "[ . 1 . 2]" 1
1475 2 22 GLU QG 2 23 LYS HA . . 3.820 3.588 3.549 3.626 . 0 0 "[ . 1 . 2]" 1
1476 2 23 LYS HA 2 26 GLU QB . . 2.920 2.313 2.190 2.362 . 0 0 "[ . 1 . 2]" 1
1477 2 23 LYS HA 2 23 LYS QD . . 3.030 2.064 2.046 2.078 . 0 0 "[ . 1 . 2]" 1
1478 2 23 LYS HA 2 23 LYS HG2 . . 3.320 3.185 3.130 3.207 . 0 0 "[ . 1 . 2]" 1
1479 2 76 ILE MG 2 77 LEU H . . 3.520 3.378 3.151 3.556 0.036 20 0 "[ . 1 . 2]" 1
1480 2 76 ILE H 2 76 ILE MG . . 3.850 3.708 3.685 3.724 . 0 0 "[ . 1 . 2]" 1
1481 2 76 ILE MG 2 98 PHE HD2 . . 3.960 3.695 3.436 3.819 . 0 0 "[ . 1 . 2]" 1
1482 2 76 ILE HA 2 76 ILE MG . . 3.670 2.484 2.433 2.535 . 0 0 "[ . 1 . 2]" 1
1483 2 62 ILE HG12 2 76 ILE MG . . 3.370 2.305 2.097 2.504 . 0 0 "[ . 1 . 2]" 1
1484 2 76 ILE MG 2 77 LEU QB . . 4.010 3.764 3.667 3.838 . 0 0 "[ . 1 . 2]" 1
1485 2 76 ILE MG 2 79 LEU HG . . 4.360 3.852 3.737 3.968 . 0 0 "[ . 1 . 2]" 1
1486 2 76 ILE HG13 2 76 ILE MG . . 3.380 2.403 2.370 2.443 . 0 0 "[ . 1 . 2]" 1
1487 2 76 ILE MG 2 102 LEU QD . . 3.080 1.968 1.816 2.102 . 0 0 "[ . 1 . 2]" 1
1488 2 63 LEU H 2 105 ALA MB . . 4.410 4.106 4.029 4.225 . 0 0 "[ . 1 . 2]" 1
1489 2 76 ILE MG 2 102 LEU HG . . 3.900 3.643 3.520 3.759 . 0 0 "[ . 1 . 2]" 1
1490 2 63 LEU MD1 2 105 ALA MB . . 3.820 3.853 3.816 3.886 0.066 16 0 "[ . 1 . 2]" 1
1491 2 12 LEU QD 2 76 ILE MG . . 5.390 4.306 4.116 4.548 . 0 0 "[ . 1 . 2]" 1
1492 2 12 LEU QD 2 105 ALA MB . . 5.500 4.721 4.665 4.864 . 0 0 "[ . 1 . 2]" 1
1493 2 40 ILE MG 2 61 VAL H . . 5.380 5.040 4.885 5.204 . 0 0 "[ . 1 . 2]" 1
1494 2 40 ILE MG 2 41 ILE H . . 3.460 3.474 3.403 3.529 0.069 13 0 "[ . 1 . 2]" 1
1495 2 40 ILE MG 2 42 CYS H . . 4.950 4.954 4.871 5.015 0.065 13 0 "[ . 1 . 2]" 1
1496 2 40 ILE MG 2 45 LYS HA . . 5.500 5.382 5.140 5.569 0.069 1 0 "[ . 1 . 2]" 1
1497 2 40 ILE MG 2 47 TYR HA . . 5.500 4.747 4.605 4.979 . 0 0 "[ . 1 . 2]" 1
1498 2 40 ILE MG 2 41 ILE HA . . 3.740 3.475 3.372 3.569 . 0 0 "[ . 1 . 2]" 1
1499 2 40 ILE HA 2 40 ILE MG . . 3.130 2.427 2.387 2.473 . 0 0 "[ . 1 . 2]" 1
1500 2 40 ILE MG 2 61 VAL HB . . 4.300 4.119 4.034 4.185 . 0 0 "[ . 1 . 2]" 1
1501 2 40 ILE MG 2 61 VAL MG1 . . 3.020 3.088 3.050 3.119 0.099 19 0 "[ . 1 . 2]" 1
1502 2 100 ILE HA 2 100 ILE MG . . 3.180 2.512 2.487 2.529 . 0 0 "[ . 1 . 2]" 1
1503 2 62 ILE MG 2 65 LEU H . . 4.640 4.693 4.654 4.716 0.076 15 0 "[ . 1 . 2]" 1
1504 2 62 ILE MG 2 63 LEU H . . 3.880 3.306 3.260 3.371 . 0 0 "[ . 1 . 2]" 1
1505 2 59 TRP HA 2 62 ILE MG . . 4.710 4.124 4.044 4.212 . 0 0 "[ . 1 . 2]" 1
1506 2 62 ILE HA 2 62 ILE MG . . 3.090 2.530 2.514 2.550 . 0 0 "[ . 1 . 2]" 1
1507 2 62 ILE HG12 2 62 ILE MG . . 3.320 2.309 2.288 2.324 . 0 0 "[ . 1 . 2]" 1
1508 2 62 ILE MG 2 76 ILE HG13 . . 4.230 3.770 3.577 3.935 . 0 0 "[ . 1 . 2]" 1
1509 2 62 ILE MG 2 105 ALA MB . . 2.580 2.166 2.111 2.221 . 0 0 "[ . 1 . 2]" 1
1510 2 62 ILE MG 2 102 LEU QD . . 3.050 2.399 2.293 2.515 . 0 0 "[ . 1 . 2]" 1
1511 2 12 LEU QD 2 62 ILE MG . . 5.100 4.462 4.391 4.624 . 0 0 "[ . 1 . 2]" 1
1512 2 114 GLU HA 2 115 ALA H . . 3.400 2.360 2.325 2.386 . 0 0 "[ . 1 . 2]" 1
1513 2 111 LYS HA 2 114 GLU HA . . 4.810 4.757 4.689 4.810 . 0 0 "[ . 1 . 2]" 1
1514 2 114 GLU HA 2 114 GLU HB3 . . 2.850 2.515 2.490 2.525 . 0 0 "[ . 1 . 2]" 1
1515 2 113 LEU QB 2 114 GLU HA . . 4.780 4.775 4.756 4.795 0.015 14 0 "[ . 1 . 2]" 1
1516 2 113 LEU QD 2 114 GLU HA . . 4.110 2.792 2.756 2.847 . 0 0 "[ . 1 . 2]" 1
1517 2 41 ILE H 2 41 ILE MG . . 3.840 3.741 3.710 3.768 . 0 0 "[ . 1 . 2]" 1
1518 2 25 LYS H 2 41 ILE MG . . 4.400 4.303 4.121 4.423 0.023 7 0 "[ . 1 . 2]" 1
1519 2 41 ILE MG 2 42 CYS H . . 3.750 3.653 3.551 3.751 0.001 18 0 "[ . 1 . 2]" 1
1520 2 41 ILE MG 2 64 TYR HE2 . . 4.920 4.449 4.225 4.659 . 0 0 "[ . 1 . 2]" 1
1521 2 25 LYS QE 2 41 ILE MG . . 4.500 4.353 4.153 4.514 0.014 11 0 "[ . 1 . 2]" 1
1522 2 28 ILE MG 2 41 ILE MG . . 2.570 2.110 2.049 2.190 . 0 0 "[ . 1 . 2]" 1
1523 2 28 ILE MG 2 42 CYS HA . . 5.220 5.262 4.916 5.350 0.130 6 0 "[ . 1 . 2]" 1
1524 2 41 ILE MG 2 42 CYS HA . . 3.720 3.458 3.316 3.611 . 0 0 "[ . 1 . 2]" 1
1525 2 88 GLU HA 2 88 GLU QG . . 3.430 2.730 2.281 2.994 . 0 0 "[ . 1 . 2]" 1
1526 2 87 LYS QG 2 88 GLU HA . . 4.740 3.850 3.394 4.348 . 0 0 "[ . 1 . 2]" 1
1527 2 28 ILE H 2 28 ILE MG . . 3.690 3.698 3.660 3.723 0.033 20 0 "[ . 1 . 2]" 1
1528 2 28 ILE MG 2 64 TYR HD2 . . 5.500 4.253 3.769 4.706 . 0 0 "[ . 1 . 2]" 1
1529 2 28 ILE MG 2 64 TYR HE2 . . 5.500 2.729 2.109 3.292 . 0 0 "[ . 1 . 2]" 1
1530 2 28 ILE HA 2 28 ILE MG . . 2.930 2.507 2.453 2.563 . 0 0 "[ . 1 . 2]" 1
1531 2 28 ILE MG 2 41 ILE HB . . 3.890 2.479 2.239 2.615 . 0 0 "[ . 1 . 2]" 1
1532 2 28 ILE MG 2 31 LYS HB2 . . 5.500 3.888 3.623 4.261 . 0 0 "[ . 1 . 2]" 1
1533 2 45 LYS HA 2 46 THR H . . 3.280 2.531 2.420 2.583 . 0 0 "[ . 1 . 2]" 1
1534 2 45 LYS HA 2 49 ASP QB . . 4.630 4.532 4.429 4.636 0.006 15 0 "[ . 1 . 2]" 1
1535 2 45 LYS HA 2 45 LYS HG2 . . 3.240 3.102 2.777 3.157 . 0 0 "[ . 1 . 2]" 1
1536 2 78 GLU H 2 79 LEU HA . . 5.220 5.105 5.016 5.188 . 0 0 "[ . 1 . 2]" 1
1537 2 79 LEU HA 2 79 LEU HG . . 3.720 3.725 3.706 3.746 0.026 3 0 "[ . 1 . 2]" 1
1538 2 112 TYR HD2 2 113 LEU HA . . 4.470 4.060 3.971 4.121 . 0 0 "[ . 1 . 2]" 1
1539 2 30 THR H 2 31 LYS HA . . 5.200 5.030 4.739 5.163 . 0 0 "[ . 1 . 2]" 1
1540 2 31 LYS HA 2 31 LYS QE . . 4.830 4.587 4.035 4.915 0.085 3 0 "[ . 1 . 2]" 1
1541 2 31 LYS HA 2 31 LYS QD . . 4.150 3.885 2.111 4.013 . 0 0 "[ . 1 . 2]" 1
1542 2 105 ALA HA 2 109 VAL H . . 4.620 4.490 4.304 4.603 . 0 0 "[ . 1 . 2]" 1
1543 2 63 LEU MD1 2 105 ALA HA . . 4.090 3.808 3.642 3.884 . 0 0 "[ . 1 . 2]" 1
1544 2 105 ALA HA 2 108 VAL HB . . 4.210 3.352 2.852 4.233 0.023 8 0 "[ . 1 . 2]" 1
1545 2 62 ILE MG 2 105 ALA HA . . 4.780 4.468 4.413 4.535 . 0 0 "[ . 1 . 2]" 1
1546 2 15 ARG HA 2 16 ASP HA . . 4.880 4.860 4.835 4.881 0.001 8 0 "[ . 1 . 2]" 1
1547 2 15 ARG HA 2 15 ARG QG . . 3.090 2.656 2.345 2.758 . 0 0 "[ . 1 . 2]" 1
1548 2 14 LYS HG3 2 15 ARG HA . . 4.280 3.991 3.786 4.067 . 0 0 "[ . 1 . 2]" 1
1549 2 15 ARG HA 2 16 ASP QB . . 5.300 5.075 4.995 5.116 . 0 0 "[ . 1 . 2]" 1
1550 2 47 TYR HA 2 48 ALA HA . . 4.910 4.814 4.777 4.846 . 0 0 "[ . 1 . 2]" 1
1551 2 48 ALA HA 2 51 ASN HA . . 3.770 2.823 2.674 3.028 . 0 0 "[ . 1 . 2]" 1
1552 2 47 TYR H 2 52 ILE MG . . 5.140 4.768 4.695 4.846 . 0 0 "[ . 1 . 2]" 1
1553 2 48 ALA H 2 52 ILE MG . . 5.240 4.959 4.861 5.060 . 0 0 "[ . 1 . 2]" 1
1554 2 52 ILE MG 2 57 GLY HA3 . . 3.470 2.697 2.625 2.797 . 0 0 "[ . 1 . 2]" 1
1555 2 40 ILE MD 2 52 ILE MG . . 4.510 4.207 4.015 4.367 . 0 0 "[ . 1 . 2]" 1
1556 2 52 ILE MG 2 57 GLY H . . 3.790 2.725 2.618 2.823 . 0 0 "[ . 1 . 2]" 1
1557 2 51 ASN HA 2 52 ILE MG . . 4.810 4.524 4.423 4.642 . 0 0 "[ . 1 . 2]" 1
1558 2 52 ILE MG 2 57 GLY HA2 . . 3.810 2.607 2.536 2.752 . 0 0 "[ . 1 . 2]" 1
1559 2 52 ILE MD 2 52 ILE MG . . 2.930 2.045 2.025 2.100 . 0 0 "[ . 1 . 2]" 1
1560 2 44 ASN HA 2 45 LYS H . . 3.390 3.358 3.288 3.392 0.002 1 0 "[ . 1 . 2]" 1
1561 2 44 ASN HA 2 45 LYS HG2 . . 5.250 5.299 5.269 5.329 0.079 6 0 "[ . 1 . 2]" 1
1562 2 19 LYS HA 2 20 PRO HD2 . . 3.360 2.297 2.220 2.360 . 0 0 "[ . 1 . 2]" 1
1563 2 19 LYS HA 2 19 LYS QE . . 4.660 4.285 3.946 4.505 . 0 0 "[ . 1 . 2]" 1
1564 2 19 LYS HA 2 20 PRO HG2 . . 4.620 4.469 4.396 4.522 . 0 0 "[ . 1 . 2]" 1
1565 2 52 ILE MG 2 53 ASP HA . . 4.870 4.119 3.812 4.233 . 0 0 "[ . 1 . 2]" 1
1566 2 53 ASP HA 2 54 ARG QB . . 4.780 4.337 4.264 4.403 . 0 0 "[ . 1 . 2]" 1
1567 2 50 VAL H 2 51 ASN HA . . 4.920 4.246 4.208 4.302 . 0 0 "[ . 1 . 2]" 1
1568 2 48 ALA MB 2 51 ASN HA . . 4.490 4.377 4.196 4.555 0.065 20 0 "[ . 1 . 2]" 1
1569 2 22 GLU H 2 24 ILE MD . . 4.950 4.295 4.215 4.349 . 0 0 "[ . 1 . 2]" 1
1570 2 24 ILE MD 2 25 LYS H . . 4.290 4.243 4.177 4.274 . 0 0 "[ . 1 . 2]" 1
1571 2 19 LYS H 2 24 ILE MD . . 4.710 3.994 3.814 4.204 . 0 0 "[ . 1 . 2]" 1
1572 2 24 ILE MD 2 25 LYS QE . . 5.500 4.943 4.805 5.026 . 0 0 "[ . 1 . 2]" 1
1573 2 24 ILE HB 2 24 ILE MD . . 3.230 2.389 2.364 2.412 . 0 0 "[ . 1 . 2]" 1
1574 2 20 PRO HA 2 24 ILE MD . . 5.010 3.964 3.882 4.085 . 0 0 "[ . 1 . 2]" 1
1575 2 62 ILE H 2 62 ILE MD . . 3.640 3.423 3.379 3.453 . 0 0 "[ . 1 . 2]" 1
1576 2 62 ILE MD 2 102 LEU H . . 5.410 5.149 5.003 5.322 . 0 0 "[ . 1 . 2]" 1
1577 2 62 ILE MD 2 63 LEU H . . 4.670 4.680 4.643 4.702 0.032 18 0 "[ . 1 . 2]" 1
1578 2 62 ILE MD 2 101 THR HB . . 4.390 3.947 3.738 4.107 . 0 0 "[ . 1 . 2]" 1
1579 2 62 ILE HB 2 62 ILE MD . . 3.220 2.297 2.271 2.317 . 0 0 "[ . 1 . 2]" 1
1580 2 62 ILE MD 2 76 ILE MG . . 3.500 2.782 2.568 2.957 . 0 0 "[ . 1 . 2]" 1
1581 2 62 ILE MD 2 105 ALA MB . . 3.910 3.501 3.407 3.570 . 0 0 "[ . 1 . 2]" 1
1582 2 62 ILE MD 2 62 ILE MG . . 2.570 2.010 1.996 2.026 . 0 0 "[ . 1 . 2]" 1
1583 2 62 ILE MD 2 102 LEU QD . . 3.480 2.725 2.566 2.888 . 0 0 "[ . 1 . 2]" 1
1584 2 100 ILE H 2 100 ILE MD . . 4.160 3.399 3.328 3.439 . 0 0 "[ . 1 . 2]" 1
1585 2 92 TRP HZ3 2 100 ILE MD . . 3.970 2.841 2.690 2.953 . 0 0 "[ . 1 . 2]" 1
1586 2 100 ILE HB 2 100 ILE MD . . 3.220 2.267 2.243 2.281 . 0 0 "[ . 1 . 2]" 1
1587 2 100 ILE MD 2 100 ILE MG . . 2.980 2.019 2.001 2.041 . 0 0 "[ . 1 . 2]" 1
1588 2 99 VAL QG 2 100 ILE MD . . 4.520 4.346 4.291 4.417 . 0 0 "[ . 1 . 2]" 1
1589 2 52 ILE MD 2 57 GLY HA2 . . 3.580 3.090 2.778 3.617 0.037 13 0 "[ . 1 . 2]" 1
1590 2 52 ILE MD 2 56 ARG HB2 . . 4.470 2.678 2.468 3.117 . 0 0 "[ . 1 . 2]" 1
1591 2 52 ILE HB 2 52 ILE MD . . 2.790 2.276 2.188 2.297 . 0 0 "[ . 1 . 2]" 1
1592 2 79 LEU QD 2 80 LEU HA . . 3.390 2.619 2.452 2.797 . 0 0 "[ . 1 . 2]" 1
1593 2 12 LEU QD 2 76 ILE MD . . 4.640 4.422 4.347 4.506 . 0 0 "[ . 1 . 2]" 1
1594 2 66 MET H 2 76 ILE MD . . 5.060 4.504 4.214 4.649 . 0 0 "[ . 1 . 2]" 1
1595 2 76 ILE MD 2 77 LEU H . . 4.940 4.824 4.774 4.869 . 0 0 "[ . 1 . 2]" 1
1596 2 76 ILE MD 2 79 LEU H . . 5.270 5.179 4.988 5.292 0.022 5 0 "[ . 1 . 2]" 1
1597 2 71 THR HA 2 76 ILE MD . . 3.980 3.068 2.785 3.338 . 0 0 "[ . 1 . 2]" 1
1598 2 76 ILE HA 2 76 ILE MD . . 3.200 2.013 1.985 2.050 . 0 0 "[ . 1 . 2]" 1
1599 2 62 ILE HA 2 76 ILE MD . . 4.240 2.812 2.603 2.951 . 0 0 "[ . 1 . 2]" 1
1600 2 76 ILE MD 2 79 LEU HG . . 3.960 3.705 3.486 3.920 . 0 0 "[ . 1 . 2]" 1
1601 2 76 ILE MD 2 76 ILE MG . . 2.630 1.984 1.959 2.006 . 0 0 "[ . 1 . 2]" 1
1602 2 76 ILE MD 2 79 LEU QD . . 2.550 2.166 2.109 2.245 . 0 0 "[ . 1 . 2]" 1
1603 2 76 ILE MD 2 102 LEU QD . . 3.170 3.195 3.174 3.227 0.057 5 0 "[ . 1 . 2]" 1
1604 2 86 ALA HA 2 98 PHE H . . 5.500 5.543 5.412 5.632 0.132 16 0 "[ . 1 . 2]" 1
1605 2 86 ALA HA 2 94 THR HB . . 4.400 2.699 2.548 2.780 . 0 0 "[ . 1 . 2]" 1
1606 2 46 THR MG 2 83 ASP HA . . 5.500 5.536 5.388 5.677 0.177 7 0 "[ . 1 . 2]" 1
1607 2 12 LEU QD 2 72 ASP HA . . 5.040 3.490 3.036 3.597 . 0 0 "[ . 1 . 2]" 1
1608 2 72 ASP HA 2 75 LYS H . . 5.030 4.710 4.574 5.050 0.020 19 0 "[ . 1 . 2]" 1
1609 2 12 LEU HA 2 72 ASP HA . . 5.500 5.193 4.869 5.404 . 0 0 "[ . 1 . 2]" 1
1610 2 13 VAL MG2 2 72 ASP HA . . 3.620 3.502 3.393 3.609 . 0 0 "[ . 1 . 2]" 1
1611 2 71 THR MG 2 72 ASP HA . . 4.310 3.948 3.836 4.044 . 0 0 "[ . 1 . 2]" 1
1612 2 12 LEU HG 2 72 ASP HA . . 5.500 5.506 4.968 5.627 0.127 11 0 "[ . 1 . 2]" 1
1613 2 41 ILE H 2 41 ILE MD . . 3.580 3.598 3.530 3.652 0.072 1 0 "[ . 1 . 2]" 1
1614 2 25 LYS H 2 41 ILE MD . . 5.500 5.541 5.448 5.592 0.092 3 0 "[ . 1 . 2]" 1
1615 2 40 ILE H 2 41 ILE MD . . 5.500 5.395 5.289 5.530 0.030 20 0 "[ . 1 . 2]" 1
1616 2 41 ILE MD 2 42 CYS H . . 4.760 4.808 4.777 4.826 0.066 3 0 "[ . 1 . 2]" 1
1617 2 41 ILE MD 2 64 TYR HD2 . . 4.650 3.991 3.746 4.110 . 0 0 "[ . 1 . 2]" 1
1618 2 41 ILE MD 2 64 TYR HE2 . . 4.570 4.608 4.579 4.643 0.073 19 0 "[ . 1 . 2]" 1
1619 2 41 ILE HA 2 41 ILE MD . . 2.870 2.002 1.968 2.051 . 0 0 "[ . 1 . 2]" 1
1620 2 41 ILE MD 2 61 VAL HA . . 4.710 4.228 4.061 4.377 . 0 0 "[ . 1 . 2]" 1
1621 2 25 LYS QE 2 41 ILE MD . . 5.450 5.211 5.094 5.393 . 0 0 "[ . 1 . 2]" 1
1622 2 41 ILE HB 2 41 ILE MD . . 3.270 3.249 3.237 3.259 . 0 0 "[ . 1 . 2]" 1
1623 2 37 ILE MD 2 41 ILE MD . . 3.640 3.470 2.921 3.685 0.045 12 0 "[ . 1 . 2]" 1
1624 2 41 ILE MD 2 65 LEU H . . 5.500 5.443 5.154 5.554 0.054 18 0 "[ . 1 . 2]" 1
1625 2 13 VAL MG2 2 73 PRO QD . . 3.520 2.698 2.553 2.919 . 0 0 "[ . 1 . 2]" 1
1626 2 73 PRO QD 2 75 LYS H . . 4.940 4.519 4.289 4.684 . 0 0 "[ . 1 . 2]" 1
1627 2 72 ASP HA 2 73 PRO QD . . 3.410 2.020 1.951 2.151 . 0 0 "[ . 1 . 2]" 1
1628 2 9 ARG HG3 2 73 PRO QD . . 5.500 5.545 5.371 5.656 0.156 5 0 "[ . 1 . 2]" 1
1629 2 73 PRO QD 2 102 LEU HG . . 5.500 5.367 5.162 5.550 0.050 1 0 "[ . 1 . 2]" 1
1630 2 71 THR MG 2 73 PRO QD . . 5.190 4.748 4.481 5.007 . 0 0 "[ . 1 . 2]" 1
1631 2 12 LEU QD 2 73 PRO QD . . 4.830 2.630 2.476 2.875 . 0 0 "[ . 1 . 2]" 1
1632 2 13 VAL H 2 73 PRO QD . . 5.030 4.367 4.234 4.530 . 0 0 "[ . 1 . 2]" 1
1633 2 20 PRO HD2 2 23 LYS H . . 4.470 4.189 4.105 4.237 . 0 0 "[ . 1 . 2]" 1
1634 2 20 PRO HD2 2 23 LYS QE . . 4.760 4.740 4.634 4.779 0.019 20 0 "[ . 1 . 2]" 1
1635 2 19 LYS QG 2 20 PRO HD2 . . 4.670 3.611 3.205 4.275 . 0 0 "[ . 1 . 2]" 1
1636 2 20 PRO HD2 2 23 LYS QD . . 4.250 4.228 4.144 4.286 0.036 15 0 "[ . 1 . 2]" 1
1637 2 20 PRO HD2 2 23 LYS HG2 . . 3.340 2.776 2.654 2.858 . 0 0 "[ . 1 . 2]" 1
1638 2 40 ILE MD 2 48 ALA H . . 5.180 4.271 4.111 4.429 . 0 0 "[ . 1 . 2]" 1
1639 2 40 ILE MD 2 41 ILE H . . 5.500 4.751 4.691 4.807 . 0 0 "[ . 1 . 2]" 1
1640 2 40 ILE MD 2 46 THR H . . 4.680 3.014 2.892 3.175 . 0 0 "[ . 1 . 2]" 1
1641 2 40 ILE H 2 40 ILE MD . . 3.440 3.463 3.353 3.548 0.108 14 0 "[ . 1 . 2]" 1
1642 2 40 ILE MD 2 50 VAL H . . 4.190 3.492 3.239 3.614 . 0 0 "[ . 1 . 2]" 1
1643 2 40 ILE MD 2 46 THR HA . . 3.570 2.355 2.060 2.437 . 0 0 "[ . 1 . 2]" 1
1644 2 40 ILE MD 2 46 THR HB . . 4.380 4.416 4.254 4.469 0.089 15 0 "[ . 1 . 2]" 1
1645 2 40 ILE HA 2 40 ILE MD . . 2.880 1.970 1.943 1.995 . 0 0 "[ . 1 . 2]" 1
1646 2 40 ILE MD 2 49 ASP QB . . 4.620 2.259 2.117 2.501 . 0 0 "[ . 1 . 2]" 1
1647 2 40 ILE MD 2 57 GLY HA3 . . 4.810 4.879 4.815 4.927 0.117 13 0 "[ . 1 . 2]" 1
1648 2 39 GLU QG 2 40 ILE MD . . 5.040 4.688 3.533 5.204 0.164 8 0 "[ . 1 . 2]" 1
1649 2 40 ILE MD 2 45 LYS HB2 . . 3.060 2.623 2.356 2.892 . 0 0 "[ . 1 . 2]" 1
1650 2 40 ILE MD 2 40 ILE MG . . 2.660 2.016 1.977 2.058 . 0 0 "[ . 1 . 2]" 1
1651 2 37 ILE MD 2 64 TYR HD2 . . 3.630 3.068 2.705 3.233 . 0 0 "[ . 1 . 2]" 1
1652 2 37 ILE MD 2 61 VAL HA . . 2.980 2.237 2.095 2.349 . 0 0 "[ . 1 . 2]" 1
1653 2 37 ILE MD 2 61 VAL HB . . 4.550 4.427 4.279 4.505 . 0 0 "[ . 1 . 2]" 1
1654 2 37 ILE MD 2 65 LEU MD2 . . 4.320 4.098 3.633 4.319 . 0 0 "[ . 1 . 2]" 1
1655 2 37 ILE MD 2 61 VAL MG1 . . 3.220 3.069 2.785 3.228 0.008 18 0 "[ . 1 . 2]" 1
1656 2 46 THR MG 2 57 GLY HA3 . . 5.500 5.476 4.910 5.583 0.083 7 0 "[ . 1 . 2]" 1
1657 2 52 ILE HB 2 57 GLY HA3 . . 5.500 5.534 5.415 5.677 0.177 13 0 "[ . 1 . 2]" 1
1658 2 52 ILE MD 2 57 GLY HA3 . . 4.670 4.083 3.854 4.488 . 0 0 "[ . 1 . 2]" 1
1659 2 68 HIS HA 2 68 HIS HE1 . . 5.500 5.395 5.301 5.472 . 0 0 "[ . 1 . 2]" 1
1660 2 64 TYR HE2 2 68 HIS HE1 . . 3.970 3.514 3.107 3.996 0.026 2 0 "[ . 1 . 2]" 1
1661 2 28 ILE MD 2 68 HIS HE1 . . 4.540 4.152 3.791 4.569 0.029 5 0 "[ . 1 . 2]" 1
1662 2 31 LYS HB2 2 68 HIS HE1 . . 4.750 4.666 3.744 4.824 0.074 4 0 "[ . 1 . 2]" 1
1663 2 31 LYS QD 2 68 HIS HE1 . . 4.790 3.116 2.170 4.845 0.055 12 0 "[ . 1 . 2]" 1
1664 2 97 TYR HD1 2 101 THR MG . . 5.500 5.392 5.159 5.524 0.024 1 0 "[ . 1 . 2]" 1
1665 2 92 TRP HE3 2 97 TYR HD1 . . 4.410 4.009 3.781 4.411 0.001 3 0 "[ . 1 . 2]" 1
1666 2 97 TYR HA 2 97 TYR HD1 . . 3.870 3.031 2.919 3.099 . 0 0 "[ . 1 . 2]" 1
1667 2 97 TYR HD1 2 100 ILE MD . . 4.920 4.523 4.295 4.698 . 0 0 "[ . 1 . 2]" 1
1668 2 97 TYR H 2 97 TYR HD1 . . 5.210 5.033 5.003 5.082 . 0 0 "[ . 1 . 2]" 1
1669 2 97 TYR HD1 2 100 ILE MG . . 4.980 4.793 4.573 4.962 . 0 0 "[ . 1 . 2]" 1
1670 2 97 TYR HD2 2 98 PHE H . . 3.760 2.919 2.795 3.004 . 0 0 "[ . 1 . 2]" 1
1671 2 97 TYR HD2 2 98 PHE HA . . 4.020 3.329 3.182 3.533 . 0 0 "[ . 1 . 2]" 1
1672 2 86 ALA H 2 97 TYR HD2 . . 5.080 5.107 4.968 5.192 0.112 19 0 "[ . 1 . 2]" 1
1673 2 94 THR HA 2 97 TYR HD2 . . 4.240 3.353 3.085 3.486 . 0 0 "[ . 1 . 2]" 1
1674 2 86 ALA HA 2 97 TYR HD2 . . 3.850 3.222 3.174 3.272 . 0 0 "[ . 1 . 2]" 1
1675 2 86 ALA MB 2 97 TYR HD2 . . 3.150 2.753 2.659 2.857 . 0 0 "[ . 1 . 2]" 1
1676 2 94 THR HB 2 97 TYR HD2 . . 4.450 3.545 3.325 3.701 . 0 0 "[ . 1 . 2]" 1
1677 2 110 LYS H 2 112 TYR HD2 . . 5.250 5.340 5.312 5.371 0.121 5 0 "[ . 1 . 2]" 1
1678 2 67 LYS HA 2 112 TYR HD2 . . 5.500 5.018 4.570 5.222 . 0 0 "[ . 1 . 2]" 1
1679 2 112 TYR HD2 2 113 LEU H . . 3.240 3.114 3.090 3.149 . 0 0 "[ . 1 . 2]" 1
1680 2 112 TYR QB 2 112 TYR HD2 . . 2.530 2.399 2.372 2.437 . 0 0 "[ . 1 . 2]" 1
1681 2 112 TYR HD2 2 113 LEU QB . . 3.640 2.586 2.512 2.652 . 0 0 "[ . 1 . 2]" 1
1682 2 112 TYR HD2 2 113 LEU QD . . 2.990 2.738 2.673 2.791 . 0 0 "[ . 1 . 2]" 1
1683 2 109 VAL HA 2 112 TYR HD2 . . 2.920 2.939 2.868 3.026 0.106 5 0 "[ . 1 . 2]" 1
1684 2 109 VAL HB 2 112 TYR HD2 . . 4.850 4.924 4.819 5.025 0.175 11 0 "[ . 1 . 2]" 1
1685 2 64 TYR HD2 2 65 LEU HA . . 3.390 3.374 3.205 3.441 0.051 8 0 "[ . 1 . 2]" 1
1686 2 64 TYR HD2 2 65 LEU MD2 . . 3.870 2.159 2.081 2.235 . 0 0 "[ . 1 . 2]" 1
1687 2 64 TYR HD2 2 65 LEU H . . 3.830 3.460 3.205 3.624 . 0 0 "[ . 1 . 2]" 1
1688 2 64 TYR QB 2 64 TYR HD2 . . 3.180 2.394 2.373 2.418 . 0 0 "[ . 1 . 2]" 1
1689 2 28 ILE MD 2 64 TYR HD2 . . 3.620 3.037 2.806 3.244 . 0 0 "[ . 1 . 2]" 1
1690 2 61 VAL MG1 2 64 TYR HD2 . . 5.250 4.218 3.949 4.368 . 0 0 "[ . 1 . 2]" 1
1691 2 9 ARG H 2 98 PHE HE1 . . 4.390 4.390 4.290 4.448 0.058 2 0 "[ . 1 . 2]" 1
1692 2 9 ARG HB3 2 98 PHE HE1 . . 3.640 3.706 3.572 3.770 0.130 14 0 "[ . 1 . 2]" 1
1693 2 98 PHE HE1 2 102 LEU HG . . 4.080 4.147 4.107 4.187 0.107 16 0 "[ . 1 . 2]" 1
1694 2 98 PHE HE1 2 99 VAL QG . . 3.490 3.257 3.167 3.323 . 0 0 "[ . 1 . 2]" 1
1695 2 98 PHE HE1 2 102 LEU QD . . 4.420 4.416 4.377 4.440 0.020 9 0 "[ . 1 . 2]" 1
1696 2 5 PHE HB2 2 98 PHE HE1 . . 2.690 2.757 2.719 2.806 0.116 6 0 "[ . 1 . 2]" 1
1697 2 47 TYR HD2 2 52 ILE MG . . 4.160 3.812 3.711 4.188 0.028 12 0 "[ . 1 . 2]" 1
1698 2 47 TYR HA 2 47 TYR HD2 . . 4.220 4.111 3.862 4.192 . 0 0 "[ . 1 . 2]" 1
1699 2 98 PHE H 2 98 PHE HD2 . . 5.190 4.999 4.974 5.022 . 0 0 "[ . 1 . 2]" 1
1700 2 77 LEU H 2 98 PHE HD2 . . 5.500 5.060 4.822 5.176 . 0 0 "[ . 1 . 2]" 1
1701 2 97 TYR QE 2 98 PHE HD2 . . 5.500 5.327 5.082 5.482 . 0 0 "[ . 1 . 2]" 1
1702 2 97 TYR HD2 2 98 PHE HD2 . . 5.500 5.205 5.064 5.394 . 0 0 "[ . 1 . 2]" 1
1703 2 98 PHE HA 2 98 PHE HD2 . . 3.530 3.387 3.333 3.432 . 0 0 "[ . 1 . 2]" 1
1704 2 98 PHE HB3 2 98 PHE HD2 . . 3.660 3.594 3.580 3.610 . 0 0 "[ . 1 . 2]" 1
1705 2 77 LEU QD 2 98 PHE HD2 . . 3.820 3.145 2.733 3.331 . 0 0 "[ . 1 . 2]" 1
1706 2 98 PHE HD2 2 102 LEU QD . . 3.690 2.708 2.614 2.783 . 0 0 "[ . 1 . 2]" 1
1707 2 77 LEU HA 2 98 PHE HD2 . . 5.200 4.710 4.418 5.037 . 0 0 "[ . 1 . 2]" 1
1708 2 76 ILE HB 2 98 PHE HD2 . . 4.610 4.556 4.370 4.651 0.041 8 0 "[ . 1 . 2]" 1
1709 2 73 PRO QB 2 98 PHE HD2 . . 4.650 3.888 3.603 4.119 . 0 0 "[ . 1 . 2]" 1
1710 2 73 PRO HA 2 98 PHE HE2 . . 4.030 2.174 2.023 2.335 . 0 0 "[ . 1 . 2]" 1
1711 2 5 PHE HA 2 98 PHE HD1 . . 4.210 4.196 4.054 4.275 0.065 20 0 "[ . 1 . 2]" 1
1712 2 73 PRO QD 2 98 PHE HE2 . . 5.500 4.190 3.914 4.403 . 0 0 "[ . 1 . 2]" 1
1713 2 5 PHE HB2 2 98 PHE HD1 . . 3.280 2.845 2.762 2.922 . 0 0 "[ . 1 . 2]" 1
1714 2 76 ILE HB 2 98 PHE HE2 . . 4.150 3.594 3.404 3.708 . 0 0 "[ . 1 . 2]" 1
1715 2 77 LEU QB 2 98 PHE HE2 . . 4.460 4.261 3.861 4.446 . 0 0 "[ . 1 . 2]" 1
1716 2 76 ILE HG13 2 98 PHE HE2 . . 4.950 4.678 4.509 4.926 . 0 0 "[ . 1 . 2]" 1
1717 2 98 PHE HD1 2 102 LEU QB . . 5.410 3.998 3.922 4.069 . 0 0 "[ . 1 . 2]" 1
1718 2 98 PHE HE2 2 102 LEU QB . . 5.500 4.174 4.109 4.270 . 0 0 "[ . 1 . 2]" 1
1719 2 9 ARG HB3 2 98 PHE HE2 . . 5.500 5.144 5.019 5.233 . 0 0 "[ . 1 . 2]" 1
1720 2 98 PHE HE2 2 102 LEU HG . . 3.360 2.537 2.465 2.616 . 0 0 "[ . 1 . 2]" 1
1721 2 98 PHE HD1 2 99 VAL QG . . 3.040 2.209 2.166 2.278 . 0 0 "[ . 1 . 2]" 1
1722 2 98 PHE HE2 2 102 LEU QD . . 3.040 2.982 2.913 3.059 0.019 18 0 "[ . 1 . 2]" 1
1723 2 12 LEU QD 2 98 PHE HE2 . . 4.560 3.664 3.474 3.802 . 0 0 "[ . 1 . 2]" 1
1724 2 73 PRO HA 2 98 PHE HZ . . 4.420 3.927 3.662 4.156 . 0 0 "[ . 1 . 2]" 1
1725 2 73 PRO QB 2 98 PHE HZ . . 4.330 2.650 2.271 3.172 . 0 0 "[ . 1 . 2]" 1
1726 2 98 PHE HZ 2 102 LEU HG . . 4.320 2.938 2.866 2.998 . 0 0 "[ . 1 . 2]" 1
1727 2 5 PHE HB2 2 98 PHE HZ . . 4.900 4.993 4.947 5.031 0.131 13 0 "[ . 1 . 2]" 1
1728 2 9 ARG H 2 98 PHE HZ . . 4.900 4.628 4.441 4.724 . 0 0 "[ . 1 . 2]" 1
1729 2 8 LEU HB3 2 98 PHE HZ . . 5.310 4.552 4.289 4.714 . 0 0 "[ . 1 . 2]" 1
1730 2 73 PRO HG2 2 98 PHE HZ . . 5.500 4.669 3.613 5.235 . 0 0 "[ . 1 . 2]" 1
1731 2 98 PHE HZ 2 102 LEU QD . . 3.640 3.714 3.676 3.741 0.101 7 0 "[ . 1 . 2]" 1
1732 2 73 PRO QD 2 98 PHE HZ . . 4.540 3.888 3.572 4.229 . 0 0 "[ . 1 . 2]" 1
1733 2 106 TRP HD1 2 107 SER H . . 4.490 4.406 4.299 4.474 . 0 0 "[ . 1 . 2]" 1
1734 2 11 GLU HG2 2 106 TRP HD1 . . 5.500 4.290 4.048 4.610 . 0 0 "[ . 1 . 2]" 1
1735 2 106 TRP HD1 2 110 LYS QD . . 3.500 3.344 3.191 3.557 0.057 15 0 "[ . 1 . 2]" 1
1736 2 8 LEU QD 2 106 TRP HD1 . . 2.620 2.091 2.041 2.140 . 0 0 "[ . 1 . 2]" 1
1737 2 12 LEU HG 2 106 TRP HD1 . . 4.940 4.716 4.579 4.881 . 0 0 "[ . 1 . 2]" 1
1738 2 12 LEU QD 2 106 TRP HD1 . . 5.500 3.409 3.363 3.496 . 0 0 "[ . 1 . 2]" 1
1739 2 59 TRP HD1 2 63 LEU MD1 . . 3.930 3.200 3.098 3.303 . 0 0 "[ . 1 . 2]" 1
1740 2 59 TRP HD1 2 60 HIS H . . 4.580 3.373 3.171 3.472 . 0 0 "[ . 1 . 2]" 1
1741 2 59 TRP HD1 2 60 HIS HD2 . . 4.320 4.235 3.957 4.372 0.052 18 0 "[ . 1 . 2]" 1
1742 2 59 TRP HD1 2 60 HIS HA . . 4.320 3.493 3.240 3.612 . 0 0 "[ . 1 . 2]" 1
1743 2 92 TRP HH2 2 97 TYR HA . . 4.150 3.928 3.815 4.020 . 0 0 "[ . 1 . 2]" 1
1744 2 92 TRP HH2 2 100 ILE HB . . 4.690 4.675 4.533 4.751 0.061 13 0 "[ . 1 . 2]" 1
1745 2 92 TRP HH2 2 100 ILE HG13 . . 5.270 4.921 4.804 5.061 . 0 0 "[ . 1 . 2]" 1
1746 2 92 TRP HH2 2 100 ILE HG12 . . 5.310 5.121 4.943 5.254 . 0 0 "[ . 1 . 2]" 1
1747 2 92 TRP HH2 2 100 ILE MG . . 4.220 4.274 4.097 4.324 0.104 6 0 "[ . 1 . 2]" 1
1748 2 92 TRP HH2 2 100 ILE MD . . 3.260 2.320 2.242 2.416 . 0 0 "[ . 1 . 2]" 1
1749 2 15 ARG HD3 2 106 TRP HH2 . . 3.630 2.771 2.441 3.757 0.127 7 0 "[ . 1 . 2]" 1
1750 2 66 MET HB3 2 106 TRP HH2 . . 5.250 5.085 4.903 5.225 . 0 0 "[ . 1 . 2]" 1
1751 2 15 ARG QG 2 106 TRP HH2 . . 3.670 2.498 2.254 3.734 0.064 11 0 "[ . 1 . 2]" 1
1752 2 106 TRP HH2 2 110 LYS QD . . 5.460 5.150 4.699 5.389 . 0 0 "[ . 1 . 2]" 1
1753 2 59 TRP HH2 2 63 LEU MD1 . . 4.380 4.308 4.154 4.399 0.019 17 0 "[ . 1 . 2]" 1
1754 2 15 ARG HD2 2 106 TRP HH2 . . 3.630 3.031 1.863 3.448 . 0 0 "[ . 1 . 2]" 1
1755 2 15 ARG QB 2 106 TRP HH2 . . 3.820 3.000 2.879 3.095 . 0 0 "[ . 1 . 2]" 1
1756 2 12 LEU QD 2 106 TRP HH2 . . 4.160 4.194 4.164 4.227 0.067 7 0 "[ . 1 . 2]" 1
1757 2 59 TRP HH2 2 106 TRP H . . 5.330 5.341 5.279 5.370 0.040 16 0 "[ . 1 . 2]" 1
1758 2 59 TRP HH2 2 104 LYS QE . . 5.110 3.796 3.440 5.212 0.102 4 0 "[ . 1 . 2]" 1
1759 2 59 TRP HH2 2 105 ALA H . . 3.670 3.623 3.532 3.707 0.037 18 0 "[ . 1 . 2]" 1
1760 2 59 TRP HH2 2 104 LYS HA . . 3.920 3.937 3.875 3.982 0.062 9 0 "[ . 1 . 2]" 1
1761 2 59 TRP HH2 2 105 ALA HA . . 3.220 2.615 2.580 2.649 . 0 0 "[ . 1 . 2]" 1
1762 2 59 TRP HH2 2 108 VAL HB . . 4.400 3.717 3.506 3.899 . 0 0 "[ . 1 . 2]" 1
1763 2 59 TRP HH2 2 104 LYS QB . . 3.100 2.278 2.111 2.358 . 0 0 "[ . 1 . 2]" 1
1764 2 59 TRP HH2 2 105 ALA MB . . 3.680 3.685 3.654 3.715 0.035 19 0 "[ . 1 . 2]" 1
1765 2 106 TRP HE3 2 110 LYS QD . . 5.040 4.862 4.765 5.060 0.020 11 0 "[ . 1 . 2]" 1
1766 2 106 TRP H 2 106 TRP HE3 . . 4.860 4.892 4.871 4.932 0.072 11 0 "[ . 1 . 2]" 1
1767 2 106 TRP HE3 2 109 VAL H . . 4.800 4.635 4.460 4.837 0.037 8 0 "[ . 1 . 2]" 1
1768 2 106 TRP HA 2 106 TRP HE3 . . 2.710 2.212 2.172 2.268 . 0 0 "[ . 1 . 2]" 1
1769 2 66 MET HA 2 106 TRP HE3 . . 4.720 4.572 4.395 4.790 0.070 11 0 "[ . 1 . 2]" 1
1770 2 106 TRP HB2 2 106 TRP HE3 . . 3.290 3.135 3.087 3.161 . 0 0 "[ . 1 . 2]" 1
1771 2 66 MET HB3 2 106 TRP HE3 . . 3.980 2.719 2.494 2.849 . 0 0 "[ . 1 . 2]" 1
1772 2 12 LEU QD 2 106 TRP HE3 . . 3.520 3.179 3.084 3.245 . 0 0 "[ . 1 . 2]" 1
1773 2 106 TRP HE3 2 110 LYS H . . 4.270 4.272 4.193 4.338 0.068 4 0 "[ . 1 . 2]" 1
1774 2 68 HIS H 2 68 HIS HD2 . . 3.580 2.798 2.601 3.066 . 0 0 "[ . 1 . 2]" 1
1775 2 67 LYS H 2 68 HIS HD2 . . 4.740 4.384 4.050 4.712 . 0 0 "[ . 1 . 2]" 1
1776 2 68 HIS HA 2 68 HIS HD2 . . 3.470 2.689 2.447 3.058 . 0 0 "[ . 1 . 2]" 1
1777 2 64 TYR HA 2 68 HIS HD2 . . 4.990 4.739 4.255 4.985 . 0 0 "[ . 1 . 2]" 1
1778 2 65 LEU HA 2 68 HIS HD2 . . 5.280 4.606 4.306 4.889 . 0 0 "[ . 1 . 2]" 1
1779 2 68 HIS HB2 2 68 HIS HD2 . . 3.250 3.283 3.144 3.355 0.105 11 0 "[ . 1 . 2]" 1
1780 2 92 TRP HE3 2 97 TYR HA . . 4.010 4.036 3.942 4.106 0.096 5 0 "[ . 1 . 2]" 1
1781 2 92 TRP HE3 2 94 THR HA . . 4.100 4.038 3.764 4.211 0.111 3 0 "[ . 1 . 2]" 1
1782 2 66 MET HA 2 106 TRP HZ3 . . 5.500 3.901 3.772 4.143 . 0 0 "[ . 1 . 2]" 1
1783 2 59 TRP HZ3 2 104 LYS QE . . 5.500 4.679 3.326 5.535 0.035 17 0 "[ . 1 . 2]" 1
1784 2 59 TRP HZ3 2 108 VAL QG . . 4.350 4.406 4.376 4.451 0.101 10 0 "[ . 1 . 2]" 1
1785 2 59 TRP HZ3 2 62 ILE MG . . 5.500 5.090 4.986 5.193 . 0 0 "[ . 1 . 2]" 1
1786 2 59 TRP HZ3 2 63 LEU HG . . 5.500 5.418 5.256 5.507 0.007 3 0 "[ . 1 . 2]" 1
1787 2 92 TRP HE3 2 97 TYR H . . 4.110 3.724 3.590 3.809 . 0 0 "[ . 1 . 2]" 1
1788 2 92 TRP HE3 2 96 LYS QG . . 4.340 3.301 2.919 3.537 . 0 0 "[ . 1 . 2]" 1
1789 2 92 TRP HZ3 2 100 ILE HB . . 4.710 4.333 4.173 4.467 . 0 0 "[ . 1 . 2]" 1
1790 2 92 TRP HZ3 2 97 TYR H . . 4.600 3.151 2.963 3.263 . 0 0 "[ . 1 . 2]" 1
1791 2 92 TRP HZ3 2 94 THR HA . . 5.110 5.077 4.905 5.171 0.061 3 0 "[ . 1 . 2]" 1
1792 2 92 TRP HZ3 2 97 TYR HA . . 3.740 2.147 2.061 2.219 . 0 0 "[ . 1 . 2]" 1
1793 2 66 MET HB3 2 106 TRP HZ3 . . 3.480 2.627 2.448 2.759 . 0 0 "[ . 1 . 2]" 1
1794 2 12 LEU QD 2 106 TRP HZ3 . . 4.050 3.960 3.870 4.028 . 0 0 "[ . 1 . 2]" 1
1795 2 106 TRP HA 2 106 TRP HZ3 . . 4.500 4.547 4.522 4.582 0.082 20 0 "[ . 1 . 2]" 1
1796 2 106 TRP HZ3 2 110 LYS HA . . 4.500 4.602 4.573 4.653 0.153 15 0 "[ . 1 . 2]" 1
1797 2 106 TRP HZ3 2 113 LEU QD . . 3.830 3.418 3.337 3.555 . 0 0 "[ . 1 . 2]" 1
1798 2 59 TRP HZ3 2 106 TRP H . . 4.860 5.001 4.978 5.033 0.173 8 0 "[ . 1 . 2]" 1
1799 2 59 TRP HZ3 2 105 ALA HA . . 3.740 3.049 2.999 3.081 . 0 0 "[ . 1 . 2]" 1
1800 2 59 TRP HZ3 2 104 LYS QB . . 3.100 2.210 2.100 2.403 . 0 0 "[ . 1 . 2]" 1
1801 2 59 TRP HZ3 2 105 ALA MB . . 3.300 2.423 2.345 2.487 . 0 0 "[ . 1 . 2]" 1
1802 2 59 TRP HZ3 2 63 LEU MD1 . . 5.190 5.030 4.889 5.109 . 0 0 "[ . 1 . 2]" 1
1803 2 92 TRP HZ3 2 96 LYS QG . . 3.950 2.416 2.311 2.573 . 0 0 "[ . 1 . 2]" 1
1804 2 106 TRP HZ3 2 110 LYS QD . . 5.500 5.531 5.276 5.639 0.139 14 0 "[ . 1 . 2]" 1
1805 2 97 TYR QE 2 101 THR HB . . 4.700 4.143 4.032 4.277 . 0 0 "[ . 1 . 2]" 1
1806 2 60 HIS HD2 2 61 VAL H . . 5.220 5.149 5.078 5.221 0.001 15 0 "[ . 1 . 2]" 1
1807 2 57 GLY H 2 60 HIS HD2 . . 4.900 4.568 4.405 4.684 . 0 0 "[ . 1 . 2]" 1
1808 2 52 ILE MD 2 60 HIS HD2 . . 3.820 2.399 2.240 2.661 . 0 0 "[ . 1 . 2]" 1
1809 2 60 HIS H 2 60 HIS HD2 . . 3.720 3.266 3.181 3.390 . 0 0 "[ . 1 . 2]" 1
1810 2 56 ARG H 2 60 HIS HD2 . . 5.500 5.522 5.146 5.625 0.125 5 0 "[ . 1 . 2]" 1
1811 2 60 HIS HA 2 60 HIS HD2 . . 4.750 4.544 4.502 4.599 . 0 0 "[ . 1 . 2]" 1
1812 2 57 GLY HA2 2 60 HIS HD2 . . 4.690 3.434 3.295 3.717 . 0 0 "[ . 1 . 2]" 1
1813 2 60 HIS HB2 2 60 HIS HD2 . . 3.900 2.613 2.596 2.635 . 0 0 "[ . 1 . 2]" 1
1814 2 60 HIS HB3 2 60 HIS HD2 . . 3.900 3.641 3.587 3.672 . 0 0 "[ . 1 . 2]" 1
1815 2 56 ARG HB2 2 60 HIS HD2 . . 4.150 3.979 3.807 4.159 0.009 19 0 "[ . 1 . 2]" 1
1816 2 56 ARG HB3 2 60 HIS HD2 . . 3.940 2.649 2.087 2.800 . 0 0 "[ . 1 . 2]" 1
1817 2 52 ILE HB 2 60 HIS HD2 . . 5.500 5.485 5.341 5.679 0.179 4 0 "[ . 1 . 2]" 1
1818 2 86 ALA H 2 97 TYR QE . . 4.530 4.421 4.323 4.512 . 0 0 "[ . 1 . 2]" 1
1819 2 86 ALA HA 2 97 TYR QE . . 3.840 3.954 3.861 3.996 0.156 14 0 "[ . 1 . 2]" 1
1820 2 97 TYR QB 2 97 TYR QE . . 4.430 3.959 3.955 3.965 . 0 0 "[ . 1 . 2]" 1
1821 2 86 ALA MB 2 97 TYR QE . . 3.280 2.073 2.022 2.137 . 0 0 "[ . 1 . 2]" 1
1822 2 112 TYR HE2 2 113 LEU H . . 5.020 5.090 5.067 5.110 0.090 15 0 "[ . 1 . 2]" 1
1823 2 67 LYS HA 2 112 TYR HE2 . . 4.350 3.998 3.639 4.275 . 0 0 "[ . 1 . 2]" 1
1824 2 67 LYS HE2 2 112 TYR HE2 . . 5.500 2.914 2.513 3.280 . 0 0 "[ . 1 . 2]" 1
1825 2 112 TYR HE2 2 113 LEU QB . . 3.940 2.858 2.807 2.893 . 0 0 "[ . 1 . 2]" 1
1826 2 112 TYR HE2 2 113 LEU QD . . 3.200 3.221 3.196 3.242 0.042 4 0 "[ . 1 . 2]" 1
1827 2 112 TYR HE2 2 113 LEU HA . . 4.590 4.599 4.517 4.631 0.041 13 0 "[ . 1 . 2]" 1
1828 2 59 TRP HE3 2 105 ALA H . . 4.810 4.542 4.452 4.678 . 0 0 "[ . 1 . 2]" 1
1829 2 59 TRP HE3 2 62 ILE MG . . 5.360 4.671 4.586 4.786 . 0 0 "[ . 1 . 2]" 1
1830 2 59 TRP H 2 59 TRP HE3 . . 4.940 4.986 4.952 5.052 0.112 16 0 "[ . 1 . 2]" 1
1831 2 59 TRP HA 2 59 TRP HE3 . . 3.060 2.943 2.897 3.041 . 0 0 "[ . 1 . 2]" 1
1832 2 59 TRP HE3 2 104 LYS QB . . 4.260 4.263 4.161 4.374 0.114 11 0 "[ . 1 . 2]" 1
1833 2 59 TRP HE3 2 105 ALA MB . . 3.480 2.928 2.879 2.981 . 0 0 "[ . 1 . 2]" 1
1834 2 59 TRP HE3 2 62 ILE MD . . 4.060 4.083 3.997 4.131 0.071 11 0 "[ . 1 . 2]" 1
1835 2 59 TRP HE3 2 63 LEU MD1 . . 4.910 4.707 4.599 4.796 . 0 0 "[ . 1 . 2]" 1
1836 2 64 TYR QB 2 64 TYR HE2 . . 4.560 4.428 4.415 4.442 . 0 0 "[ . 1 . 2]" 1
1837 2 64 TYR HE2 2 65 LEU MD2 . . 3.620 3.131 2.843 3.348 . 0 0 "[ . 1 . 2]" 1
1838 2 24 ILE MG 2 64 TYR HE2 . . 5.500 4.931 4.489 5.119 . 0 0 "[ . 1 . 2]" 1
1839 2 28 ILE MD 2 64 TYR HE2 . . 2.820 2.091 1.999 2.143 . 0 0 "[ . 1 . 2]" 1
1840 2 37 ILE MD 2 64 TYR HE2 . . 4.370 4.299 4.018 4.409 0.039 18 0 "[ . 1 . 2]" 1
1841 2 92 TRP HZ2 2 96 LYS QD . . 5.100 4.583 3.318 5.118 0.018 8 0 "[ . 1 . 2]" 1
1842 2 92 TRP HZ2 2 100 ILE MD . . 4.390 4.183 4.092 4.313 . 0 0 "[ . 1 . 2]" 1
1843 2 59 TRP HZ2 2 105 ALA HA . . 3.860 3.849 3.769 3.912 0.052 18 0 "[ . 1 . 2]" 1
1844 2 59 TRP HZ2 2 104 LYS QB . . 4.350 4.370 4.246 4.411 0.061 13 0 "[ . 1 . 2]" 1
1845 2 59 TRP HZ2 2 108 VAL QG . . 3.410 2.367 2.251 2.513 . 0 0 "[ . 1 . 2]" 1
1846 2 59 TRP HZ2 2 63 LEU MD1 . . 3.420 2.908 2.731 3.007 . 0 0 "[ . 1 . 2]" 1
1847 2 12 LEU HA 2 106 TRP HZ2 . . 4.410 4.485 4.441 4.535 0.125 16 0 "[ . 1 . 2]" 1
1848 2 15 ARG HD2 2 106 TRP HZ2 . . 4.070 3.422 2.468 3.579 . 0 0 "[ . 1 . 2]" 1
1849 2 11 GLU HG2 2 106 TRP HZ2 . . 3.770 3.185 3.059 3.303 . 0 0 "[ . 1 . 2]" 1
1850 2 15 ARG QG 2 106 TRP HZ2 . . 3.340 2.431 2.192 3.422 0.082 20 0 "[ . 1 . 2]" 1
1851 2 15 ARG QB 2 106 TRP HZ2 . . 4.140 3.992 3.882 4.058 . 0 0 "[ . 1 . 2]" 1
1852 2 71 THR MG 2 106 TRP HZ2 . . 5.500 4.770 4.690 4.849 . 0 0 "[ . 1 . 2]" 1
1853 2 106 TRP HZ2 2 113 LEU QD . . 5.500 4.880 4.672 5.013 . 0 0 "[ . 1 . 2]" 1
1854 2 12 LEU QD 2 106 TRP HZ2 . . 3.840 3.742 3.692 3.824 . 0 0 "[ . 1 . 2]" 1
1855 2 11 GLU HA 2 106 TRP HZ2 . . 5.500 5.046 4.956 5.254 . 0 0 "[ . 1 . 2]" 1
1856 2 60 HIS H 2 60 HIS HE1 . . 5.500 5.601 5.537 5.660 0.160 18 0 "[ . 1 . 2]" 1
1857 2 56 ARG HB3 2 60 HIS HE1 . . 5.500 5.073 4.768 5.572 0.072 4 0 "[ . 1 . 2]" 1
1858 2 60 HIS HE1 2 63 LEU MD1 . . 4.690 4.510 4.263 4.692 0.002 18 0 "[ . 1 . 2]" 1
1859 2 59 TRP HE1 2 60 HIS HE1 . . 4.960 4.178 3.720 4.647 . 0 0 "[ . 1 . 2]" 1
1860 2 59 TRP HD1 2 60 HIS HE1 . . 4.280 3.627 3.373 3.952 . 0 0 "[ . 1 . 2]" 1
1861 2 3 VAL H 2 3 VAL QG . . 2.680 2.217 2.047 2.462 . 0 0 "[ . 1 . 2]" 1
1862 2 3 VAL HA 2 3 VAL QG . . 2.790 2.189 2.113 2.241 . 0 0 "[ . 1 . 2]" 1
1863 2 3 VAL QG 2 4 GLU H . . 3.720 2.722 2.354 3.381 . 0 0 "[ . 1 . 2]" 1
1864 2 3 VAL QG 2 4 GLU HA . . 3.740 3.296 3.173 3.504 . 0 0 "[ . 1 . 2]" 1
1865 2 3 VAL QG 2 4 GLU QG . . 4.230 2.863 2.268 3.655 . 0 0 "[ . 1 . 2]" 1
1866 2 3 VAL QG 2 5 PHE H . . 5.210 4.357 4.157 4.677 . 0 0 "[ . 1 . 2]" 1
1867 2 7 GLU H 2 7 GLU QG . . 3.220 2.301 2.253 2.356 . 0 0 "[ . 1 . 2]" 1
1868 2 9 ARG H 2 9 ARG QD . . 4.630 3.985 3.881 4.022 . 0 0 "[ . 1 . 2]" 1
1869 2 9 ARG HA 2 9 ARG QD . . 4.190 3.674 3.648 3.803 . 0 0 "[ . 1 . 2]" 1
1870 2 9 ARG HB2 2 9 ARG QD . . 3.620 2.281 2.235 2.560 . 0 0 "[ . 1 . 2]" 1
1871 2 9 ARG QD 2 10 LYS H . . 4.290 3.046 2.898 3.103 . 0 0 "[ . 1 . 2]" 1
1872 2 9 ARG QD 2 10 LYS HA . . 5.280 2.696 2.607 2.770 . 0 0 "[ . 1 . 2]" 1
1873 2 9 ARG QD 2 11 GLU H . . 5.340 4.860 4.778 4.911 . 0 0 "[ . 1 . 2]" 1
1874 2 11 GLU HG3 2 15 ARG QD . . 4.970 4.289 3.725 4.685 . 0 0 "[ . 1 . 2]" 1
1875 2 12 LEU QD 2 15 ARG QD . . 5.340 5.157 4.738 5.320 . 0 0 "[ . 1 . 2]" 1
1876 2 13 VAL HA 2 72 ASP QB . . 4.560 3.758 3.242 4.438 . 0 0 "[ . 1 . 2]" 1
1877 2 13 VAL MG2 2 72 ASP QB . . 4.410 3.616 2.790 4.239 . 0 0 "[ . 1 . 2]" 1
1878 2 14 LYS QD 2 15 ARG H . . 4.510 3.598 3.379 3.817 . 0 0 "[ . 1 . 2]" 1
1879 2 14 LYS QD 2 15 ARG HA . . 3.930 3.330 3.116 3.544 . 0 0 "[ . 1 . 2]" 1
1880 2 15 ARG H 2 15 ARG QD . . 5.150 4.452 4.008 4.548 . 0 0 "[ . 1 . 2]" 1
1881 2 15 ARG QD 2 106 TRP HZ3 . . 4.830 4.411 4.164 4.670 . 0 0 "[ . 1 . 2]" 1
1882 2 15 ARG QD 2 106 TRP HZ2 . . 3.280 3.231 2.450 3.333 0.053 8 0 "[ . 1 . 2]" 1
1883 2 15 ARG QD 2 106 TRP HH2 . . 3.160 2.382 1.854 2.659 . 0 0 "[ . 1 . 2]" 1
1884 2 16 ASP QB 2 72 ASP QB . . 3.560 2.895 2.656 3.287 . 0 0 "[ . 1 . 2]" 1
1885 2 18 GLY H 2 70 VAL QG . . 5.440 4.492 3.353 4.895 . 0 0 "[ . 1 . 2]" 1
1886 2 18 GLY QA 2 19 LYS QG . . 5.180 4.130 4.031 4.406 . 0 0 "[ . 1 . 2]" 1
1887 2 21 VAL H 2 75 LYS QB . . 5.340 4.749 3.967 5.373 0.033 1 0 "[ . 1 . 2]" 1
1888 2 21 VAL H 2 75 LYS QE . . 4.660 3.513 2.470 4.768 0.108 13 0 "[ . 1 . 2]" 1
1889 2 24 ILE MD 2 75 LYS QE . . 5.340 2.898 1.851 4.922 . 0 0 "[ . 1 . 2]" 1
1890 2 26 GLU QG 2 27 GLU H . . 4.240 3.566 3.534 3.596 . 0 0 "[ . 1 . 2]" 1
1891 2 26 GLU QG 2 30 THR H . . 5.210 4.850 4.560 5.271 0.061 5 0 "[ . 1 . 2]" 1
1892 2 26 GLU QG 2 30 THR MG . . 4.030 3.878 3.674 4.071 0.041 12 0 "[ . 1 . 2]" 1
1893 2 27 GLU HA 2 31 LYS QG . . 5.340 4.207 3.981 4.388 . 0 0 "[ . 1 . 2]" 1
1894 2 27 GLU HG3 2 28 ILE QG . . 5.020 2.357 2.172 2.725 . 0 0 "[ . 1 . 2]" 1
1895 2 28 ILE H 2 28 ILE QG . . 3.870 2.578 2.462 2.670 . 0 0 "[ . 1 . 2]" 1
1896 2 28 ILE HA 2 28 ILE QG . . 3.120 2.295 2.250 2.329 . 0 0 "[ . 1 . 2]" 1
1897 2 28 ILE HA 2 31 LYS QG . . 4.460 3.676 2.703 4.051 . 0 0 "[ . 1 . 2]" 1
1898 2 28 ILE QG 2 29 CYS H . . 4.950 4.281 4.221 4.338 . 0 0 "[ . 1 . 2]" 1
1899 2 28 ILE QG 2 64 TYR HE2 . . 4.340 2.285 2.149 2.517 . 0 0 "[ . 1 . 2]" 1
1900 2 30 THR H 2 31 LYS QG . . 5.340 3.916 3.328 4.056 . 0 0 "[ . 1 . 2]" 1
1901 2 30 THR MG 2 31 LYS QG . . 2.820 2.407 2.207 2.834 0.014 15 0 "[ . 1 . 2]" 1
1902 2 31 LYS H 2 31 LYS QG . . 3.320 2.555 2.263 2.872 . 0 0 "[ . 1 . 2]" 1
1903 2 31 LYS HA 2 31 LYS QG . . 3.350 2.359 2.239 2.922 . 0 0 "[ . 1 . 2]" 1
1904 2 31 LYS QD 2 31 LYS QG . . 2.390 2.113 2.017 2.123 . 0 0 "[ . 1 . 2]" 1
1905 2 31 LYS QE 2 31 LYS QG . . 3.400 2.187 2.095 2.371 . 0 0 "[ . 1 . 2]" 1
1906 2 37 ILE MD 2 60 HIS QB . . 5.040 3.559 3.286 3.923 . 0 0 "[ . 1 . 2]" 1
1907 2 39 GLU QB 2 42 CYS QB . . 5.290 4.776 4.070 5.370 0.080 19 0 "[ . 1 . 2]" 1
1908 2 40 ILE HA 2 40 ILE QG . . 3.700 2.867 2.780 2.928 . 0 0 "[ . 1 . 2]" 1
1909 2 40 ILE QG 2 41 ILE H . . 4.180 4.231 4.193 4.259 0.079 18 0 "[ . 1 . 2]" 1
1910 2 40 ILE MD 2 47 TYR QB . . 4.890 4.269 4.135 4.375 . 0 0 "[ . 1 . 2]" 1
1911 2 41 ILE H 2 42 CYS QB . . 5.030 4.400 4.147 4.684 . 0 0 "[ . 1 . 2]" 1
1912 2 41 ILE HB 2 42 CYS QB . . 4.920 4.350 3.538 4.867 . 0 0 "[ . 1 . 2]" 1
1913 2 41 ILE MG 2 42 CYS QB . . 5.150 4.235 3.273 4.831 . 0 0 "[ . 1 . 2]" 1
1914 2 42 CYS H 2 42 CYS QB . . 3.310 2.401 2.259 2.552 . 0 0 "[ . 1 . 2]" 1
1915 2 43 GLU HA 2 43 GLU QG . . 3.000 2.935 2.301 3.047 0.047 10 0 "[ . 1 . 2]" 1
1916 2 43 GLU HB3 2 45 LYS QE . . 5.080 5.077 4.649 5.222 0.142 18 0 "[ . 1 . 2]" 1
1917 2 43 GLU QG 2 44 ASN H . . 4.280 2.041 1.849 2.101 . 0 0 "[ . 1 . 2]" 1
1918 2 43 GLU QG 2 45 LYS H . . 4.270 2.083 1.950 2.252 . 0 0 "[ . 1 . 2]" 1
1919 2 43 GLU QG 2 45 LYS HG2 . . 4.040 2.144 2.072 2.290 . 0 0 "[ . 1 . 2]" 1
1920 2 43 GLU QG 2 45 LYS QE . . 4.190 3.276 2.911 3.560 . 0 0 "[ . 1 . 2]" 1
1921 2 44 ASN H 2 44 ASN QB . . 3.570 2.345 2.326 2.399 . 0 0 "[ . 1 . 2]" 1
1922 2 44 ASN HA 2 44 ASN QD . . 3.650 3.636 3.203 3.762 0.112 16 0 "[ . 1 . 2]" 1
1923 2 44 ASN QB 2 44 ASN QD . . 2.840 2.166 2.126 2.221 . 0 0 "[ . 1 . 2]" 1
1924 2 44 ASN QB 2 45 LYS H . . 4.280 3.418 3.319 3.566 . 0 0 "[ . 1 . 2]" 1
1925 2 45 LYS H 2 45 LYS QE . . 4.990 3.048 2.909 4.150 . 0 0 "[ . 1 . 2]" 1
1926 2 45 LYS HA 2 45 LYS QE . . 4.120 1.860 1.723 3.426 . 0 0 "[ . 1 . 2]" 1
1927 2 45 LYS HB2 2 45 LYS QE . . 4.820 3.812 3.746 4.447 . 0 0 "[ . 1 . 2]" 1
1928 2 45 LYS QE 2 46 THR H . . 4.660 4.099 3.938 4.935 0.275 18 0 "[ . 1 . 2]" 1
1929 2 46 THR MG 2 83 ASP QB . . 4.690 3.064 2.805 4.017 . 0 0 "[ . 1 . 2]" 1
1930 2 47 TYR H 2 47 TYR QB . . 3.620 3.216 3.086 3.256 . 0 0 "[ . 1 . 2]" 1
1931 2 47 TYR QB 2 48 ALA H . . 3.850 3.706 3.557 3.784 . 0 0 "[ . 1 . 2]" 1
1932 2 47 TYR QB 2 48 ALA MB . . 5.320 4.723 4.658 4.778 . 0 0 "[ . 1 . 2]" 1
1933 2 47 TYR QB 2 52 ILE H . . 3.790 3.370 3.225 3.643 . 0 0 "[ . 1 . 2]" 1
1934 2 47 TYR QB 2 52 ILE MG . . 3.850 2.080 1.972 2.346 . 0 0 "[ . 1 . 2]" 1
1935 2 47 TYR QB 2 54 ARG HA . . 4.780 2.401 2.172 2.832 . 0 0 "[ . 1 . 2]" 1
1936 2 47 TYR QB 2 54 ARG QB . . 5.340 3.486 3.186 3.940 . 0 0 "[ . 1 . 2]" 1
1937 2 47 TYR QB 2 57 GLY HA3 . . 3.590 2.675 2.495 3.377 . 0 0 "[ . 1 . 2]" 1
1938 2 48 ALA HA 2 51 ASN QB . . 4.720 4.518 4.224 4.629 . 0 0 "[ . 1 . 2]" 1
1939 2 48 ALA MB 2 51 ASN QB . . 5.340 5.363 5.051 5.477 0.137 8 0 "[ . 1 . 2]" 1
1940 2 51 ASN H 2 51 ASN QB . . 3.450 3.150 2.827 3.345 . 0 0 "[ . 1 . 2]" 1
1941 2 52 ILE HA 2 53 ASP QB . . 5.270 4.510 4.192 4.829 . 0 0 "[ . 1 . 2]" 1
1942 2 52 ILE MD 2 56 ARG QG . . 4.960 3.850 2.508 4.191 . 0 0 "[ . 1 . 2]" 1
1943 2 53 ASP H 2 53 ASP QB . . 3.470 2.434 2.166 2.871 . 0 0 "[ . 1 . 2]" 1
1944 2 53 ASP HA 2 54 ARG QD . . 5.500 5.493 4.646 5.714 0.214 15 0 "[ . 1 . 2]" 1
1945 2 53 ASP QB 2 54 ARG H . . 4.080 3.222 2.460 3.708 . 0 0 "[ . 1 . 2]" 1
1946 2 53 ASP QB 2 55 SER H . . 5.160 3.102 2.631 3.877 . 0 0 "[ . 1 . 2]" 1
1947 2 54 ARG H 2 54 ARG QD . . 3.810 3.683 2.975 3.910 0.100 15 0 "[ . 1 . 2]" 1
1948 2 54 ARG QG 2 55 SER H . . 4.560 2.401 2.141 2.538 . 0 0 "[ . 1 . 2]" 1
1949 2 54 ARG QG 2 55 SER HA . . 4.930 3.531 3.368 3.699 . 0 0 "[ . 1 . 2]" 1
1950 2 54 ARG QG 2 55 SER QB . . 4.670 3.577 3.171 4.090 . 0 0 "[ . 1 . 2]" 1
1951 2 54 ARG QG 2 56 ARG H . . 4.660 4.597 4.398 4.734 0.074 13 0 "[ . 1 . 2]" 1
1952 2 54 ARG QD 2 55 SER H . . 4.810 4.393 4.055 4.624 . 0 0 "[ . 1 . 2]" 1
1953 2 56 ARG H 2 56 ARG QG . . 3.900 2.706 2.455 3.845 . 0 0 "[ . 1 . 2]" 1
1954 2 56 ARG H 2 56 ARG QD . . 4.430 4.302 2.961 4.482 0.052 19 0 "[ . 1 . 2]" 1
1955 2 56 ARG QG 2 57 GLY H . . 4.790 4.323 4.218 4.671 . 0 0 "[ . 1 . 2]" 1
1956 2 56 ARG QG 2 60 HIS HD2 . . 5.340 4.475 2.932 4.724 . 0 0 "[ . 1 . 2]" 1
1957 2 56 ARG QD 2 59 TRP HD1 . . 4.800 4.780 4.484 4.915 0.115 3 0 "[ . 1 . 2]" 1
1958 2 56 ARG QD 2 60 HIS HD2 . . 4.310 4.415 4.352 4.647 0.337 13 0 "[ . 1 . 2]" 1
1959 2 59 TRP HH2 2 104 LYS QG . . 5.040 4.303 3.867 4.448 . 0 0 "[ . 1 . 2]" 1
1960 2 59 TRP HH2 2 104 LYS QD . . 5.340 5.056 4.891 5.358 0.018 4 0 "[ . 1 . 2]" 1
1961 2 62 ILE HA 2 66 MET QG . . 5.340 4.297 4.076 4.346 . 0 0 "[ . 1 . 2]" 1
1962 2 62 ILE MG 2 66 MET QG . . 3.470 3.054 2.962 3.114 . 0 0 "[ . 1 . 2]" 1
1963 2 63 LEU HA 2 67 LYS QE . . 5.100 4.366 4.105 4.669 . 0 0 "[ . 1 . 2]" 1
1964 2 63 LEU MD1 2 67 LYS QE . . 5.140 4.104 3.859 4.783 . 0 0 "[ . 1 . 2]" 1
1965 2 64 TYR HA 2 67 LYS QB . . 4.440 3.065 2.865 4.217 . 0 0 "[ . 1 . 2]" 1
1966 2 64 TYR HA 2 67 LYS QG . . 4.370 3.437 2.243 3.652 . 0 0 "[ . 1 . 2]" 1
1967 2 64 TYR HA 2 67 LYS QD . . 4.250 2.783 2.485 2.979 . 0 0 "[ . 1 . 2]" 1
1968 2 64 TYR HD2 2 65 LEU QB . . 5.150 4.459 4.277 4.569 . 0 0 "[ . 1 . 2]" 1
1969 2 65 LEU H 2 65 LEU QB . . 3.450 2.456 2.442 2.471 . 0 0 "[ . 1 . 2]" 1
1970 2 65 LEU HA 2 70 VAL QG . . 3.010 2.740 2.622 3.035 0.025 11 0 "[ . 1 . 2]" 1
1971 2 65 LEU QB 2 68 HIS HB2 . . 5.160 4.091 3.985 4.263 . 0 0 "[ . 1 . 2]" 1
1972 2 65 LEU QB 2 70 VAL H . . 4.880 4.073 3.955 4.533 . 0 0 "[ . 1 . 2]" 1
1973 2 65 LEU QB 2 70 VAL QG . . 3.170 2.214 2.096 2.609 . 0 0 "[ . 1 . 2]" 1
1974 2 66 MET H 2 66 MET QG . . 3.390 2.353 2.247 2.491 . 0 0 "[ . 1 . 2]" 1
1975 2 66 MET HA 2 66 MET QG . . 3.410 2.321 2.261 2.346 . 0 0 "[ . 1 . 2]" 1
1976 2 66 MET HA 2 109 VAL QG . . 5.020 3.860 3.793 3.939 . 0 0 "[ . 1 . 2]" 1
1977 2 66 MET HB2 2 109 VAL QG . . 4.140 2.060 1.978 2.196 . 0 0 "[ . 1 . 2]" 1
1978 2 66 MET QG 2 67 LYS H . . 5.040 4.245 4.170 4.296 . 0 0 "[ . 1 . 2]" 1
1979 2 66 MET QG 2 70 VAL H . . 5.340 5.267 5.095 5.342 0.002 19 0 "[ . 1 . 2]" 1
1980 2 66 MET QG 2 71 THR HA . . 4.000 3.859 3.202 3.997 . 0 0 "[ . 1 . 2]" 1
1981 2 66 MET QG 2 71 THR MG . . 4.010 2.899 2.684 3.394 . 0 0 "[ . 1 . 2]" 1
1982 2 66 MET QG 2 76 ILE MD . . 4.460 3.482 2.939 3.666 . 0 0 "[ . 1 . 2]" 1
1983 2 66 MET QG 2 102 LEU QD . . 5.140 3.885 3.660 3.960 . 0 0 "[ . 1 . 2]" 1
1984 2 66 MET QG 2 106 TRP HE3 . . 4.360 2.981 2.810 3.827 . 0 0 "[ . 1 . 2]" 1
1985 2 66 MET QG 2 106 TRP HZ3 . . 5.240 3.709 3.513 4.412 . 0 0 "[ . 1 . 2]" 1
1986 2 67 LYS H 2 67 LYS QB . . 3.330 2.371 2.331 2.652 . 0 0 "[ . 1 . 2]" 1
1987 2 67 LYS H 2 67 LYS QG . . 3.270 2.262 1.937 2.336 . 0 0 "[ . 1 . 2]" 1
1988 2 67 LYS H 2 67 LYS QD . . 4.270 3.777 3.715 4.051 . 0 0 "[ . 1 . 2]" 1
1989 2 67 LYS H 2 109 VAL QG . . 3.610 3.171 2.946 3.311 . 0 0 "[ . 1 . 2]" 1
1990 2 67 LYS HA 2 67 LYS QG . . 3.550 2.383 2.313 3.343 . 0 0 "[ . 1 . 2]" 1
1991 2 67 LYS HA 2 67 LYS QD . . 4.720 3.994 3.942 4.516 . 0 0 "[ . 1 . 2]" 1
1992 2 67 LYS HA 2 109 VAL QG . . 3.200 2.990 2.685 3.278 0.078 4 0 "[ . 1 . 2]" 1
1993 2 67 LYS QB 2 67 LYS QD . . 3.060 2.153 2.130 2.340 . 0 0 "[ . 1 . 2]" 1
1994 2 67 LYS QB 2 67 LYS QE . . 4.520 3.451 1.915 3.540 . 0 0 "[ . 1 . 2]" 1
1995 2 67 LYS QB 2 68 HIS H . . 3.950 2.939 2.814 3.707 . 0 0 "[ . 1 . 2]" 1
1996 2 67 LYS QB 2 68 HIS HD2 . . 4.980 2.889 2.532 4.075 . 0 0 "[ . 1 . 2]" 1
1997 2 67 LYS QB 2 69 GLY H . . 5.240 4.514 4.445 4.644 . 0 0 "[ . 1 . 2]" 1
1998 2 67 LYS QE 2 67 LYS QG . . 3.100 2.112 2.087 2.349 . 0 0 "[ . 1 . 2]" 1
1999 2 67 LYS QG 2 112 TYR HE2 . . 5.030 2.479 2.274 4.547 . 0 0 "[ . 1 . 2]" 1
2000 2 67 LYS QE 2 109 VAL HA . . 5.340 3.620 3.191 4.658 . 0 0 "[ . 1 . 2]" 1
2001 2 67 LYS QE 2 109 VAL QG . . 3.980 2.319 2.183 2.908 . 0 0 "[ . 1 . 2]" 1
2002 2 67 LYS QE 2 112 TYR HE2 . . 4.740 2.878 2.493 3.223 . 0 0 "[ . 1 . 2]" 1
2003 2 67 LYS QE 2 112 TYR HD2 . . 4.040 3.202 3.026 3.979 . 0 0 "[ . 1 . 2]" 1
2004 2 68 HIS HB2 2 70 VAL QG . . 4.440 2.403 2.286 2.624 . 0 0 "[ . 1 . 2]" 1
2005 2 69 GLY QA 2 71 THR H . . 4.230 3.290 3.190 3.484 . 0 0 "[ . 1 . 2]" 1
2006 2 71 THR H 2 72 ASP QB . . 5.340 4.893 4.795 5.297 . 0 0 "[ . 1 . 2]" 1
2007 2 71 THR MG 2 72 ASP QB . . 4.720 4.278 4.198 4.397 . 0 0 "[ . 1 . 2]" 1
2008 2 72 ASP H 2 72 ASP QB . . 3.400 2.916 2.842 3.418 0.018 19 0 "[ . 1 . 2]" 1
2009 2 72 ASP H 2 75 LYS QB . . 4.270 3.520 3.069 3.914 . 0 0 "[ . 1 . 2]" 1
2010 2 72 ASP QB 2 73 PRO QD . . 4.830 3.206 1.965 3.521 . 0 0 "[ . 1 . 2]" 1
2011 2 72 ASP QB 2 75 LYS H . . 4.760 3.172 2.390 3.802 . 0 0 "[ . 1 . 2]" 1
2012 2 72 ASP QB 2 75 LYS QB . . 4.490 2.928 2.344 4.635 0.145 20 0 "[ . 1 . 2]" 1
2013 2 72 ASP QB 2 75 LYS QG . . 4.190 2.793 2.169 4.166 . 0 0 "[ . 1 . 2]" 1
2014 2 74 ASP H 2 74 ASP QB . . 2.820 2.324 2.182 2.759 . 0 0 "[ . 1 . 2]" 1
2015 2 74 ASP H 2 75 LYS QB . . 5.290 4.673 4.374 4.906 . 0 0 "[ . 1 . 2]" 1
2016 2 74 ASP QB 2 75 LYS H . . 3.530 2.687 2.494 3.503 . 0 0 "[ . 1 . 2]" 1
2017 2 74 ASP QB 2 75 LYS HA . . 5.310 4.126 3.977 4.341 . 0 0 "[ . 1 . 2]" 1
2018 2 74 ASP QB 2 75 LYS QB . . 5.030 4.444 4.288 5.114 0.084 19 0 "[ . 1 . 2]" 1
2019 2 75 LYS H 2 75 LYS QB . . 3.090 2.433 2.242 2.644 . 0 0 "[ . 1 . 2]" 1
2020 2 75 LYS H 2 75 LYS QG . . 3.540 2.284 2.004 3.418 . 0 0 "[ . 1 . 2]" 1
2021 2 75 LYS H 2 75 LYS QE . . 5.340 4.249 3.476 4.836 . 0 0 "[ . 1 . 2]" 1
2022 2 75 LYS HA 2 75 LYS QG . . 3.350 2.572 2.255 3.210 . 0 0 "[ . 1 . 2]" 1
2023 2 75 LYS QB 2 76 ILE H . . 4.210 2.611 2.451 2.752 . 0 0 "[ . 1 . 2]" 1
2024 2 77 LEU QD 2 87 LYS QB . . 5.340 3.868 3.555 4.213 . 0 0 "[ . 1 . 2]" 1
2025 2 78 GLU H 2 80 LEU QD . . 5.440 4.803 4.451 4.955 . 0 0 "[ . 1 . 2]" 1
2026 2 78 GLU QG 2 79 LEU H . . 4.390 3.800 3.653 4.405 0.015 9 0 "[ . 1 . 2]" 1
2027 2 79 LEU HG 2 80 LEU QD . . 4.800 3.784 2.820 4.358 . 0 0 "[ . 1 . 2]" 1
2028 2 80 LEU HA 2 80 LEU QD . . 3.690 2.086 1.942 3.395 . 0 0 "[ . 1 . 2]" 1
2029 2 80 LEU QB 2 84 SER H . . 4.880 4.723 4.389 4.964 0.084 10 0 "[ . 1 . 2]" 1
2030 2 80 LEU QB 2 84 SER QB . . 4.560 2.899 2.409 3.226 . 0 0 "[ . 1 . 2]" 1
2031 2 80 LEU QD 2 84 SER H . . 5.440 5.148 4.023 5.440 0.000 20 0 "[ . 1 . 2]" 1
2032 2 82 ARG H 2 82 ARG QG . . 3.320 2.766 1.725 3.271 . 0 0 "[ . 1 . 2]" 1
2033 2 82 ARG QG 2 83 ASP H . . 4.060 3.299 3.096 3.662 . 0 0 "[ . 1 . 2]" 1
2034 2 83 ASP H 2 83 ASP QB . . 3.460 2.361 2.262 2.941 . 0 0 "[ . 1 . 2]" 1
2035 2 84 SER QB 2 85 LYS QB . . 5.340 5.163 5.046 5.401 0.061 16 0 "[ . 1 . 2]" 1
2036 2 84 SER QB 2 87 LYS QB . . 4.560 3.762 3.498 4.644 0.084 1 0 "[ . 1 . 2]" 1
2037 2 85 LYS QB 2 94 THR MG . . 5.080 4.035 3.812 4.301 . 0 0 "[ . 1 . 2]" 1
2038 2 87 LYS QB 2 88 GLU HA . . 5.340 4.372 4.226 4.661 . 0 0 "[ . 1 . 2]" 1
2039 2 100 ILE HA 2 103 SER QB . . 5.340 3.089 2.947 3.162 . 0 0 "[ . 1 . 2]" 1
2040 2 100 ILE MG 2 103 SER QB . . 4.530 4.464 4.268 4.553 0.023 14 0 "[ . 1 . 2]" 1
2041 2 101 THR H 2 103 SER QB . . 4.880 4.894 4.832 4.965 0.085 2 0 "[ . 1 . 2]" 1
2042 2 102 LEU H 2 103 SER QB . . 4.730 4.336 4.282 4.541 . 0 0 "[ . 1 . 2]" 1
2043 2 102 LEU QB 2 103 SER QB . . 4.560 4.156 4.063 4.610 0.050 2 0 "[ . 1 . 2]" 1
2044 2 103 SER H 2 103 SER QB . . 3.700 2.243 2.229 2.323 . 0 0 "[ . 1 . 2]" 1
2045 2 103 SER HA 2 104 LYS QD . . 5.340 5.260 4.640 5.640 0.300 11 0 "[ . 1 . 2]" 1
2046 2 103 SER QB 2 104 LYS H . . 4.260 2.575 2.510 2.622 . 0 0 "[ . 1 . 2]" 1
2047 2 103 SER QB 2 104 LYS QG . . 4.450 3.357 3.015 4.574 0.124 17 0 "[ . 1 . 2]" 1
2048 2 104 LYS H 2 104 LYS QG . . 4.140 2.499 2.195 3.587 . 0 0 "[ . 1 . 2]" 1
2049 2 104 LYS H 2 104 LYS QD . . 5.030 3.289 2.211 3.545 . 0 0 "[ . 1 . 2]" 1
2050 2 104 LYS HA 2 104 LYS QG . . 3.370 2.813 2.104 2.971 . 0 0 "[ . 1 . 2]" 1
2051 2 104 LYS HA 2 104 LYS QD . . 4.380 2.293 2.033 3.880 . 0 0 "[ . 1 . 2]" 1
2052 2 104 LYS QG 2 105 ALA H . . 4.730 4.164 3.978 4.639 . 0 0 "[ . 1 . 2]" 1
2053 2 104 LYS QD 2 105 ALA H . . 5.050 4.899 4.417 5.021 . 0 0 "[ . 1 . 2]" 1
2054 2 106 TRP HA 2 109 VAL QG . . 4.750 3.019 2.045 3.405 . 0 0 "[ . 1 . 2]" 1
2055 2 106 TRP HE3 2 109 VAL QG . . 3.950 3.050 2.115 3.481 . 0 0 "[ . 1 . 2]" 1
2056 2 106 TRP HZ3 2 109 VAL QG . . 3.660 2.944 2.587 3.242 . 0 0 "[ . 1 . 2]" 1
2057 2 107 SER H 2 109 VAL QG . . 5.090 4.937 4.332 5.153 0.063 11 0 "[ . 1 . 2]" 1
2058 2 109 VAL H 2 109 VAL QG . . 2.900 2.249 2.195 2.359 . 0 0 "[ . 1 . 2]" 1
2059 2 109 VAL HA 2 109 VAL QG . . 2.960 2.114 2.088 2.183 . 0 0 "[ . 1 . 2]" 1
2060 2 109 VAL QG 2 112 TYR QB . . 4.370 3.240 3.194 3.278 . 0 0 "[ . 1 . 2]" 1
2061 2 109 VAL QG 2 112 TYR HD2 . . 2.970 2.479 2.436 2.535 . 0 0 "[ . 1 . 2]" 1
2062 2 109 VAL QG 2 113 LEU HG . . 4.020 3.351 3.218 3.525 . 0 0 "[ . 1 . 2]" 1
2063 2 111 LYS QB 2 114 GLU QG . . 5.010 4.092 3.359 4.216 . 0 0 "[ . 1 . 2]" 1
2064 2 112 TYR HA 2 114 GLU QG . . 5.320 4.348 4.281 4.410 . 0 0 "[ . 1 . 2]" 1
2065 2 113 LEU H 2 114 GLU QG . . 4.820 4.096 4.027 4.164 . 0 0 "[ . 1 . 2]" 1
2066 2 113 LEU HA 2 114 GLU QG . . 5.320 4.606 4.563 4.658 . 0 0 "[ . 1 . 2]" 1
2067 2 114 GLU H 2 114 GLU QG . . 3.280 2.241 2.211 2.274 . 0 0 "[ . 1 . 2]" 1
2068 2 114 GLU HA 2 114 GLU QG . . 3.440 3.329 3.318 3.432 . 0 0 "[ . 1 . 2]" 1
2069 2 114 GLU QG 2 115 ALA H . . 4.060 3.486 3.365 4.155 0.095 6 0 "[ . 1 . 2]" 1
2070 1 1 DC H1' 1 1 DC H6 . . 3.700 3.719 3.700 3.733 0.033 11 0 "[ . 1 . 2]" 1
2071 1 1 DC H3' 1 1 DC H6 . . 3.800 3.887 3.760 3.954 0.154 13 0 "[ . 1 . 2]" 1
2072 1 1 DC H4' 1 1 DC H6 . . 4.300 4.370 4.312 4.425 0.125 1 0 "[ . 1 . 2]" 1
2073 1 1 DC Q2' 1 1 DC H6 . . 3.000 2.147 2.022 2.323 . 0 0 "[ . 1 . 2]" 1
2074 1 1 DC H1' 1 1 DC H3' . . 4.000 3.883 3.856 3.929 . 0 0 "[ . 1 . 2]" 1
2075 1 1 DC H1' 1 1 DC H4' . . 3.900 3.458 3.312 3.538 . 0 0 "[ . 1 . 2]" 1
2076 1 1 DC H1' 1 1 DC Q2' . . 3.000 2.251 2.238 2.269 . 0 0 "[ . 1 . 2]" 1
2077 1 1 DC H3' 1 2 DT H6 . . 3.300 2.842 2.428 3.328 0.028 20 0 "[ . 1 . 2]" 1
2078 1 1 DC Q2' 1 2 DT H6 . . 4.400 3.622 2.948 4.458 0.058 13 0 "[ . 1 . 2]" 1
2079 1 1 DC H6 1 2 DT M7 . . 4.500 3.797 2.681 4.286 . 0 0 "[ . 1 . 2]" 1
2080 1 1 DC Q5' 1 2 DT H6 . . 5.900 4.224 3.122 5.130 . 0 0 "[ . 1 . 2]" 1
2081 1 2 DT H1' 1 2 DT H6 . . 3.700 3.718 3.704 3.732 0.032 19 0 "[ . 1 . 2]" 1
2082 1 2 DT Q2' 1 2 DT H6 . . 3.000 2.228 2.015 2.376 . 0 0 "[ . 1 . 2]" 1
2083 1 2 DT H3' 1 2 DT H6 . . 4.000 4.051 3.939 4.125 0.125 20 0 "[ . 1 . 2]" 1
2084 1 2 DT H4' 1 2 DT H6 . . 4.500 4.498 4.403 4.575 0.075 3 0 "[ . 1 . 2]" 1
2085 1 2 DT H1' 1 2 DT H3' . . 3.900 3.822 3.794 3.867 . 0 0 "[ . 1 . 2]" 1
2086 1 2 DT H1' 1 2 DT H4' . . 3.600 3.224 2.965 3.566 . 0 0 "[ . 1 . 2]" 1
2087 1 2 DT H1' 1 2 DT Q2' . . 3.000 2.268 2.225 2.291 . 0 0 "[ . 1 . 2]" 1
2088 1 2 DT Q2' 1 2 DT H3' . . 3.000 2.212 2.200 2.232 . 0 0 "[ . 1 . 2]" 1
2089 1 2 DT H4' 1 3 DG H3' . . 4.900 4.887 4.682 4.973 0.073 13 0 "[ . 1 . 2]" 1
2090 1 2 DT H3' 1 3 DG H3' . . 3.500 2.503 2.259 2.723 . 0 0 "[ . 1 . 2]" 1
2091 1 2 DT H3' 1 3 DG H4' . . 4.800 4.766 4.534 4.891 0.091 2 0 "[ . 1 . 2]" 1
2092 1 3 DG H1' 1 3 DG H8 . . 3.800 3.892 3.879 3.901 0.101 19 0 "[ . 1 . 2]" 1
2093 1 3 DG Q2' 1 3 DG H8 . . 3.500 2.309 2.162 2.476 . 0 0 "[ . 1 . 2]" 1
2094 1 3 DG H3' 1 3 DG H8 . . 4.800 4.321 4.020 4.516 . 0 0 "[ . 1 . 2]" 1
2095 1 3 DG H4' 1 3 DG H8 . . 4.800 4.930 4.798 5.025 0.225 16 0 "[ . 1 . 2]" 1
2096 1 3 DG H1' 1 3 DG H3' . . 3.900 3.810 3.746 3.917 0.017 19 0 "[ . 1 . 2]" 1
2097 1 3 DG H3' 1 3 DG Q5' . . 3.000 2.580 2.463 2.675 . 0 0 "[ . 1 . 2]" 1
2098 1 3 DG Q2' 1 3 DG H3' . . 3.000 2.213 2.187 2.237 . 0 0 "[ . 1 . 2]" 1
2099 1 3 DG H1' 1 3 DG H4' . . 3.500 3.148 2.982 3.279 . 0 0 "[ . 1 . 2]" 1
2100 1 3 DG Q2' 1 4 DT H6 . . 4.000 2.723 2.118 3.115 . 0 0 "[ . 1 . 2]" 1
2101 1 3 DG H3' 1 4 DT H6 . . 4.500 4.632 4.478 4.724 0.224 11 0 "[ . 1 . 2]" 1
2102 1 3 DG Q2' 1 4 DT M7 . . 4.300 2.084 1.946 2.376 . 0 0 "[ . 1 . 2]" 1
2103 1 4 DT H1' 1 4 DT H6 . . 3.700 3.724 3.708 3.740 0.040 13 0 "[ . 1 . 2]" 1
2104 1 4 DT H3' 1 4 DT H6 . . 4.300 4.010 3.894 4.156 . 0 0 "[ . 1 . 2]" 1
2105 1 4 DT H4' 1 4 DT H6 . . 4.700 4.643 4.082 4.871 0.171 15 0 "[ . 1 . 2]" 1
2106 1 4 DT Q2' 1 4 DT H6 . . 3.000 2.000 1.885 2.508 . 0 0 "[ . 1 . 2]" 1
2107 1 4 DT H6 1 4 DT M7 . . 3.000 2.206 2.195 2.222 . 0 0 "[ . 1 . 2]" 1
2108 1 4 DT H1' 1 4 DT H4' . . 3.500 3.470 3.309 3.592 0.092 4 0 "[ . 1 . 2]" 1
2109 1 4 DT H1' 1 4 DT H3' . . 4.000 3.850 3.771 3.925 . 0 0 "[ . 1 . 2]" 1
2110 1 4 DT Q2' 1 4 DT M7 . . 5.500 3.634 3.563 3.939 . 0 0 "[ . 1 . 2]" 1
2111 1 4 DT Q2' 1 5 DG Q5' . . 3.600 2.676 1.890 3.449 . 0 0 "[ . 1 . 2]" 1
2112 1 4 DT Q2' 1 5 DG H8 . . 5.500 3.557 3.086 3.961 . 0 0 "[ . 1 . 2]" 1
2113 1 5 DG H1' 1 5 DG H8 . . 3.900 3.828 3.726 3.897 . 0 0 "[ . 1 . 2]" 1
2114 1 5 DG Q2' 1 5 DG H8 . . 3.200 2.105 1.940 2.269 . 0 0 "[ . 1 . 2]" 1
2115 1 5 DG H3' 1 5 DG H8 . . 3.300 3.355 2.770 3.626 0.326 4 0 "[ . 1 . 2]" 1
2116 1 5 DG Q5' 1 5 DG H8 . . 3.100 2.077 1.874 2.388 . 0 0 "[ . 1 . 2]" 1
2117 1 5 DG H1' 1 5 DG H3' . . 4.000 4.070 4.025 4.119 0.119 10 0 "[ . 1 . 2]" 1
2118 1 5 DG H1' 1 5 DG Q5' . . 4.100 3.869 3.668 4.030 . 0 0 "[ . 1 . 2]" 1
2119 1 5 DG Q2' 1 5 DG Q5' . . 3.500 2.748 2.488 3.146 . 0 0 "[ . 1 . 2]" 1
2120 1 5 DG Q2' 1 6 DC H4' . . 5.000 4.284 3.318 5.040 0.040 17 0 "[ . 1 . 2]" 1
2121 1 6 DC H1' 1 6 DC H6 . . 3.900 3.714 3.701 3.735 . 0 0 "[ . 1 . 2]" 1
2122 1 6 DC Q2' 1 6 DC H6 . . 3.300 2.321 2.146 2.543 . 0 0 "[ . 1 . 2]" 1
2123 1 6 DC H3' 1 6 DC H6 . . 4.400 4.072 4.004 4.195 . 0 0 "[ . 1 . 2]" 1
2124 1 6 DC H4' 1 6 DC H6 . . 4.300 4.397 4.343 4.437 0.137 17 0 "[ . 1 . 2]" 1
2125 1 6 DC H1' 1 6 DC H3' . . 3.900 3.835 3.816 3.855 . 0 0 "[ . 1 . 2]" 1
2126 1 6 DC Q2' 1 6 DC H5 . . 5.500 4.212 4.130 4.323 . 0 0 "[ . 1 . 2]" 1
2127 1 6 DC H5 1 6 DC H6 . . 3.000 2.431 2.423 2.440 . 0 0 "[ . 1 . 2]" 1
2128 1 6 DC Q2' 1 7 DT H6 . . 3.400 2.904 2.414 3.260 . 0 0 "[ . 1 . 2]" 1
2129 1 6 DC H1' 1 7 DT H6 . . 3.300 2.971 2.396 3.494 0.194 14 0 "[ . 1 . 2]" 1
2130 1 6 DC H3' 1 7 DT H6 . . 4.500 4.433 3.929 4.752 0.252 15 0 "[ . 1 . 2]" 1
2131 1 6 DC H4' 1 7 DT H6 . . 4.800 4.596 4.249 4.849 0.049 5 0 "[ . 1 . 2]" 1
2132 1 6 DC H3' 1 7 DT Q5' . . 4.500 4.144 2.169 4.539 0.039 4 0 "[ . 1 . 2]" 1
2133 1 6 DC H3' 1 7 DT Q2' . . 4.500 3.965 2.884 4.588 0.088 7 0 "[ . 1 . 2]" 1
2134 1 6 DC H1' 1 7 DT M7 . . 3.300 2.326 2.106 2.733 . 0 0 "[ . 1 . 2]" 1
2135 1 7 DT H1' 1 7 DT H6 . . 3.800 3.709 3.630 3.744 . 0 0 "[ . 1 . 2]" 1
2136 1 7 DT Q2' 1 7 DT H6 . . 3.000 2.471 2.090 3.039 0.039 13 0 "[ . 1 . 2]" 1
2137 1 7 DT H4' 1 7 DT H6 . . 4.800 4.484 4.257 4.741 . 0 0 "[ . 1 . 2]" 1
2138 1 7 DT H6 1 7 DT M7 . . 3.000 2.207 2.197 2.214 . 0 0 "[ . 1 . 2]" 1
2139 1 7 DT H1' 1 7 DT H4' . . 3.200 3.095 2.727 3.350 0.150 14 0 "[ . 1 . 2]" 1
2140 1 7 DT H1' 1 8 DC H6 . . 3.000 2.512 2.251 2.753 . 0 0 "[ . 1 . 2]" 1
2141 1 7 DT Q2' 1 8 DC H6 . . 4.200 4.172 3.007 4.323 0.123 6 0 "[ . 1 . 2]" 1
2142 1 7 DT H3' 1 8 DC H6 . . 5.000 4.994 4.604 5.139 0.139 2 0 "[ . 1 . 2]" 1
2143 1 7 DT H4' 1 8 DC H6 . . 3.800 2.838 2.194 3.641 . 0 0 "[ . 1 . 2]" 1
2144 1 7 DT H1' 1 8 DC Q2' . . 3.700 3.498 2.731 3.807 0.107 9 0 "[ . 1 . 2]" 1
2145 1 8 DC H1' 1 8 DC H6 . . 4.000 3.725 3.653 3.744 . 0 0 "[ . 1 . 2]" 1
2146 1 8 DC H1' 1 8 DC H5 . . 5.400 5.431 5.384 5.443 0.043 17 0 "[ . 1 . 2]" 1
2147 1 8 DC H4' 1 8 DC H6 . . 4.600 4.534 4.350 4.635 0.035 11 0 "[ . 1 . 2]" 1
2148 1 8 DC Q2' 1 8 DC H6 . . 3.000 2.218 1.989 2.909 . 0 0 "[ . 1 . 2]" 1
2149 1 8 DC H1' 1 8 DC H3' . . 4.000 3.815 3.755 3.894 . 0 0 "[ . 1 . 2]" 1
2150 1 8 DC H1' 1 8 DC H4' . . 4.000 3.278 3.058 3.598 . 0 0 "[ . 1 . 2]" 1
2151 1 8 DC H3' 1 9 DA H8 . . 4.100 3.423 1.955 4.293 0.193 13 0 "[ . 1 . 2]" 1
2152 1 8 DC H4' 1 9 DA H8 . . 3.200 2.611 2.235 3.337 0.137 18 0 "[ . 1 . 2]" 1
2153 1 8 DC Q2' 1 9 DA H8 . . 4.100 4.152 3.844 4.295 0.195 2 0 "[ . 1 . 2]" 1
2154 1 9 DA H1' 1 9 DA H8 . . 3.800 3.903 3.861 3.918 0.118 12 0 "[ . 1 . 2]" 1
2155 1 9 DA H4' 1 9 DA H8 . . 4.800 4.666 4.206 4.799 . 0 0 "[ . 1 . 2]" 1
2156 1 9 DA Q2' 1 9 DA H8 . . 3.100 2.465 2.214 3.092 . 0 0 "[ . 1 . 2]" 1
2157 2 113 LEU HA 2 113 LEU MD2 . . 4.000 4.050 4.042 4.057 0.057 13 0 "[ . 1 . 2]" 1
2158 2 28 ILE MG 2 64 TYR QE . . 4.500 2.718 2.107 3.261 . 0 0 "[ . 1 . 2]" 1
2159 2 28 ILE MD 2 64 TYR QE . . 5.500 2.090 1.998 2.142 . 0 0 "[ . 1 . 2]" 1
2160 2 37 ILE MD 2 64 TYR QD . . 5.000 2.942 2.666 3.053 . 0 0 "[ . 1 . 2]" 1
2161 2 55 SER QB 2 97 TYR QE . . 5.000 5.277 4.516 6.383 1.383 13 5 "[ .* - * + * 2]" 1
2162 2 77 LEU QD 2 98 PHE HZ . . 5.800 6.057 5.666 6.216 0.416 17 0 "[ . 1 . 2]" 1
2163 2 59 TRP HH2 2 108 VAL QG . . 4.000 2.604 2.385 2.969 . 0 0 "[ . 1 . 2]" 1
2164 2 63 LEU MD2 2 109 VAL MG2 . . 4.500 2.102 1.806 2.951 . 0 0 "[ . 1 . 2]" 1
2165 2 63 LEU MD1 2 108 VAL MG1 . . 5.300 2.885 2.571 3.268 . 0 0 "[ . 1 . 2]" 1
2166 2 21 VAL QG 2 78 GLU QG . . 4.600 3.021 2.353 3.634 . 0 0 "[ . 1 . 2]" 1
2167 2 21 VAL QG 2 75 LYS QG . . 4.700 3.199 2.454 4.249 . 0 0 "[ . 1 . 2]" 1
2168 2 25 LYS QE 2 79 LEU MD2 . . 5.600 5.156 4.568 5.787 0.187 20 0 "[ . 1 . 2]" 1
2169 2 62 ILE QG 2 76 ILE MG . . 4.500 2.282 2.081 2.472 . 0 0 "[ . 1 . 2]" 1
2170 2 12 LEU MD2 2 102 LEU MD1 . . 5.800 3.256 3.123 3.466 . 0 0 "[ . 1 . 2]" 1
2171 2 37 ILE MD 2 61 VAL QG . . 4.000 2.248 2.120 2.374 . 0 0 "[ . 1 . 2]" 1
2172 2 37 ILE QG 2 64 TYR QB . . 4.200 2.894 2.758 3.070 . 0 0 "[ . 1 . 2]" 1
2173 2 28 ILE MD 2 68 HIS QB . . 4.500 3.998 3.571 4.476 . 0 0 "[ . 1 . 2]" 1
2174 2 23 LYS QB 2 27 GLU QG . . 5.100 4.246 3.593 4.368 . 0 0 "[ . 1 . 2]" 1
2175 2 25 LYS QB 2 26 GLU QB . . 5.200 4.877 4.843 4.896 . 0 0 "[ . 1 . 2]" 1
2176 2 16 ASP QB 2 18 GLY QA . . 5.000 3.682 3.556 3.830 . 0 0 "[ . 1 . 2]" 1
2177 2 16 ASP HA 2 18 GLY QA . . 5.500 5.299 5.195 5.501 0.001 1 0 "[ . 1 . 2]" 1
2178 2 17 SER HA 2 18 GLY QA . . 4.500 4.259 4.203 4.281 . 0 0 "[ . 1 . 2]" 1
2179 2 37 ILE MG 2 64 TYR QE . . 4.900 2.877 2.727 3.162 . 0 0 "[ . 1 . 2]" 1
2180 2 37 ILE MD 2 64 TYR HE1 . . 5.100 4.898 4.768 5.026 . 0 0 "[ . 1 . 2]" 1
2181 2 113 LEU HA 2 115 ALA MB . . 5.500 6.001 5.035 6.830 1.330 12 11 "[ - ** **+**** *]" 1
2182 2 113 LEU HA 2 114 GLU QB . . 6.000 5.272 5.257 5.301 . 0 0 "[ . 1 . 2]" 1
2183 2 104 LYS HA 2 107 SER HA . . 5.800 5.596 5.532 5.667 . 0 0 "[ . 1 . 2]" 1
2184 2 104 LYS HA 2 108 VAL QG . . 5.300 3.954 3.347 4.668 . 0 0 "[ . 1 . 2]" 1
2185 2 107 SER HA 2 111 LYS QB . . 5.800 4.652 4.473 4.883 . 0 0 "[ . 1 . 2]" 1
2186 2 59 TRP HA 2 63 LEU QB . . 6.000 5.447 5.328 5.536 . 0 0 "[ . 1 . 2]" 1
2187 2 8 LEU QB 2 11 GLU QB . . 5.000 4.846 4.756 5.000 0.000 11 0 "[ . 1 . 2]" 1
2188 2 14 LYS QG 2 15 ARG QB . . 6.000 3.657 3.631 3.732 . 0 0 "[ . 1 . 2]" 1
2189 2 26 GLU QB 2 30 THR MG . . 6.000 5.139 4.986 5.317 . 0 0 "[ . 1 . 2]" 1
2190 2 30 THR HA 2 31 LYS QB . . 5.500 5.372 5.237 5.433 . 0 0 "[ . 1 . 2]" 1
2191 2 71 THR MG 2 106 TRP HE3 . . 5.100 3.724 3.489 3.922 . 0 0 "[ . 1 . 2]" 1
2192 2 100 ILE MG 2 104 LYS QB . . 6.500 4.269 4.031 4.388 . 0 0 "[ . 1 . 2]" 1
2193 2 47 TYR QB 2 83 ASP QB . . 5.600 5.663 5.583 5.815 0.215 12 0 "[ . 1 . 2]" 1
2194 2 17 SER QB 2 70 VAL QG . . 4.000 2.533 2.273 3.589 . 0 0 "[ . 1 . 2]" 1
2195 1 5 DG H4' 2 56 ARG QG . . 5.100 3.423 2.811 5.032 . 0 0 "[ . 1 . 2]" 1
2196 1 5 DG H1' 2 56 ARG QG . . 4.600 2.853 2.355 4.282 . 0 0 "[ . 1 . 2]" 1
2197 1 5 DG H4' 2 56 ARG QD . . 4.700 2.924 2.301 3.404 . 0 0 "[ . 1 . 2]" 1
2198 1 5 DG Q2' 2 56 ARG QD . . 4.600 3.907 3.506 4.262 . 0 0 "[ . 1 . 2]" 1
2199 1 5 DG H1' 2 56 ARG QD . . 4.500 4.098 2.947 4.418 . 0 0 "[ . 1 . 2]" 1
2200 1 5 DG Q2' 2 59 TRP QB . . 4.500 3.612 3.230 4.150 . 0 0 "[ . 1 . 2]" 1
2201 1 5 DG H1' 2 59 TRP QB . . 4.100 2.735 2.347 2.994 . 0 0 "[ . 1 . 2]" 1
2202 1 6 DC Q5' 2 60 HIS HE1 . . 4.300 2.997 2.170 4.332 0.032 5 0 "[ . 1 . 2]" 1
2203 1 6 DC H4' 2 60 HIS HE1 . . 3.000 2.363 2.058 2.634 . 0 0 "[ . 1 . 2]" 1
2204 1 6 DC H3' 2 60 HIS HE1 . . 4.400 4.055 3.236 4.577 0.177 20 0 "[ . 1 . 2]" 1
2205 1 6 DC Q2' 2 60 HIS HE1 . . 5.400 5.200 4.754 5.468 0.068 9 0 "[ . 1 . 2]" 1
2206 1 7 DT M7 2 63 LEU QD . . 5.200 3.167 2.285 3.971 . 0 0 "[ . 1 . 2]" 1
2207 1 6 DC H4' 2 63 LEU QD . . 5.400 4.062 3.504 4.574 . 0 0 "[ . 1 . 2]" 1
2208 1 6 DC H1' 2 63 LEU QD . . 5.600 4.399 4.039 4.749 . 0 0 "[ . 1 . 2]" 1
2209 1 7 DT M7 2 67 LYS QE . . 5.600 4.494 3.644 5.034 . 0 0 "[ . 1 . 2]" 1
2210 1 2 DT Q2' 2 92 TRP HH2 . . 4.000 2.233 2.115 2.353 . 0 0 "[ . 1 . 2]" 1
2211 1 3 DG Q2' 2 92 TRP HH2 . . 4.300 3.191 2.953 3.574 . 0 0 "[ . 1 . 2]" 1
2212 1 2 DT Q5' 2 92 TRP HH2 . . 5.400 5.025 4.445 5.490 0.090 16 0 "[ . 1 . 2]" 1
2213 1 2 DT H1' 2 92 TRP HH2 . . 5.300 4.694 4.516 4.900 . 0 0 "[ . 1 . 2]" 1
2214 1 2 DT Q2' 2 92 TRP HZ2 . . 4.000 2.154 2.102 2.218 . 0 0 "[ . 1 . 2]" 1
2215 1 2 DT H3' 2 92 TRP HH2 . . 3.500 3.563 3.520 3.671 0.171 11 0 "[ . 1 . 2]" 1
2216 1 2 DT H3' 2 92 TRP HZ2 . . 3.000 3.010 2.825 3.136 0.136 18 0 "[ . 1 . 2]" 1
2217 1 3 DG H3' 2 92 TRP HZ2 . . 4.200 3.805 3.217 3.929 . 0 0 "[ . 1 . 2]" 1
2218 1 2 DT H1' 2 96 LYS QE . . 4.000 3.816 3.146 4.110 0.110 6 0 "[ . 1 . 2]" 1
2219 1 4 DT M7 2 97 TYR QE . . 4.900 3.381 2.825 4.004 . 0 0 "[ . 1 . 2]" 1
2220 1 4 DT M7 2 97 TYR QD . . 4.100 2.934 2.155 3.392 . 0 0 "[ . 1 . 2]" 1
2221 1 4 DT M7 2 100 ILE MD . . 4.400 3.115 2.760 3.339 . 0 0 "[ . 1 . 2]" 1
2222 1 2 DT Q2' 2 100 ILE MD . . 4.000 2.227 2.065 2.407 . 0 0 "[ . 1 . 2]" 1
2223 1 2 DT Q5' 2 100 ILE MD . . 5.600 3.900 3.176 4.565 . 0 0 "[ . 1 . 2]" 1
2224 1 2 DT H3' 2 100 ILE MD . . 4.900 3.731 3.556 3.936 . 0 0 "[ . 1 . 2]" 1
2225 1 2 DT H6 2 100 ILE MD . . 4.800 2.581 2.426 2.817 . 0 0 "[ . 1 . 2]" 1
2226 1 4 DT M7 2 100 ILE MG . . 4.000 2.113 2.010 2.252 . 0 0 "[ . 1 . 2]" 1
2227 1 2 DT M7 2 100 ILE QG . . 5.100 2.234 2.076 2.584 . 0 0 "[ . 1 . 2]" 1
2228 1 3 DG Q2' 2 100 ILE MG . . 5.000 3.848 3.543 4.465 . 0 0 "[ . 1 . 2]" 1
2229 1 1 DC H3' 2 100 ILE MG . . 5.100 4.381 3.161 5.127 0.027 6 0 "[ . 1 . 2]" 1
2230 1 2 DT H6 2 100 ILE MG . . 5.100 4.737 4.519 5.010 . 0 0 "[ . 1 . 2]" 1
2231 1 4 DT H6 2 100 ILE MG . . 4.800 3.828 3.083 4.189 . 0 0 "[ . 1 . 2]" 1
2232 1 4 DT M7 2 100 ILE HB . . 4.500 3.348 3.072 3.561 . 0 0 "[ . 1 . 2]" 1
2233 1 7 DT M7 2 112 TYR HD1 . . 4.900 4.825 3.897 5.020 0.120 15 0 "[ . 1 . 2]" 1
2234 1 7 DT M7 2 108 VAL QG . . 4.700 3.074 3.039 3.176 . 0 0 "[ . 1 . 2]" 1
2235 1 6 DC H5 2 108 VAL QG . . 5.300 4.824 3.840 5.323 0.023 8 0 "[ . 1 . 2]" 1
2236 1 6 DC H1' 2 108 VAL QG . . 4.600 3.878 3.495 4.158 . 0 0 "[ . 1 . 2]" 1
2237 1 5 DG H1 2 101 THR MG . . 3.200 2.383 2.296 2.512 . 0 0 "[ . 1 . 2]" 1
2238 1 5 DG H1 2 101 THR HG1 . . 3.000 3.190 2.838 3.382 0.382 20 0 "[ . 1 . 2]" 1
2239 1 5 DG H1 2 58 ASP QB . . 4.000 5.609 5.476 5.842 1.842 19 20 [**********-*******+*] 1
2240 1 5 DG H1 2 101 THR HB . . 4.200 4.157 3.997 4.246 0.046 11 0 "[ . 1 . 2]" 1
2241 1 5 DG H1 2 97 TYR QE . . 3.500 3.830 3.259 4.157 0.657 14 3 "[ . 1 - +. *2]" 1
2242 1 5 DG H1 2 59 TRP HE3 . . 4.100 4.063 3.766 4.180 0.080 16 0 "[ . 1 . 2]" 1
2243 1 4 DT M7 1 5 DG H1 . . 3.500 2.698 2.392 3.700 0.200 20 0 "[ . 1 . 2]" 1
2244 1 4 DT H3 2 97 TYR QE . . 4.400 4.331 3.895 4.487 0.087 13 0 "[ . 1 . 2]" 1
2245 1 4 DT H3 2 55 SER QB . . 3.000 2.019 1.728 2.530 . 0 0 "[ . 1 . 2]" 1
2246 1 4 DT H3 2 55 SER H . . 4.700 4.696 4.493 4.762 0.062 4 0 "[ . 1 . 2]" 1
2247 1 4 DT H3 2 55 SER HG . . 4.000 3.204 2.218 3.929 . 0 0 "[ . 1 . 2]" 1
2248 1 3 DG H1 2 85 LYS H . . 5.400 3.783 3.326 4.106 . 0 0 "[ . 1 . 2]" 1
2249 1 3 DG H1 2 85 LYS QG . . 4.600 4.015 3.473 4.602 0.002 10 0 "[ . 1 . 2]" 1
2250 1 3 DG H1 2 85 LYS QD . . 5.200 4.726 3.570 5.281 0.081 7 0 "[ . 1 . 2]" 1
2251 1 3 DG H1 2 55 SER H . . 5.300 5.423 4.994 5.682 0.382 10 0 "[ . 1 . 2]" 1
2252 1 3 DG H1 2 54 ARG QD . . 5.100 3.840 3.210 4.655 . 0 0 "[ . 1 . 2]" 1
2253 1 3 DG H1 2 84 SER HG . . 4.400 3.990 3.300 4.466 0.066 3 0 "[ . 1 . 2]" 1
2254 1 3 DG H1 2 86 ALA MB . . 5.800 5.596 4.632 5.887 0.087 19 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 104
_Distance_constraint_stats_list.Viol_count 2078
_Distance_constraint_stats_list.Viol_total 26570.844
_Distance_constraint_stats_list.Viol_max 1.409
_Distance_constraint_stats_list.Viol_rms 0.2693
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6387
_Distance_constraint_stats_list.Viol_average_violations_only 0.6393
_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
2 1 THR 28.371 0.998 13 19 "[* **********+****-**]"
2 2 VAL 23.883 0.834 20 19 "[*******-**** ******+]"
2 3 VAL 32.157 1.043 3 20 [**+******-**********]
2 4 GLU 15.172 0.586 3 15 "[**+**** -*** *** *2]"
2 5 PHE 36.658 0.998 13 19 "[* **********+****-**]"
2 6 GLU 56.436 1.011 4 20 [***+***-************]
2 7 GLU 68.774 1.110 11 20 [*********-+*********]
2 8 LEU 44.705 0.935 11 20 [****-*****+*********]
2 9 ARG 18.879 0.517 20 1 "[ . 1 . +]"
2 10 LYS 54.737 1.011 4 20 [***+******-*********]
2 11 GLU 74.344 1.110 11 20 [****-*****+*********]
2 12 LEU 29.534 0.935 11 20 [****-*****+*********]
2 13 VAL 10.592 0.517 20 1 "[ . 1 . +]"
2 14 LYS 22.184 0.761 5 20 [****+***-***********]
2 15 ARG 37.727 1.076 20 20 [****-**************+]
2 21 VAL 35.354 1.118 11 20 [****-*****+*********]
2 23 LYS 14.423 0.623 19 19 "[************ ***-*+*]"
2 24 ILE 30.515 0.941 7 20 [******+*******-*****]
2 25 LYS 52.671 1.118 11 20 [********-*+*********]
2 26 GLU 38.523 1.409 15 20 [******-*******+*****]
2 27 GLU 14.423 0.623 19 19 "[************ ***-*+*]"
2 28 ILE 30.515 0.941 7 20 [******+*******-*****]
2 29 CYS 17.317 0.866 15 18 "[* ******-*****+****2]"
2 30 THR 38.523 1.409 15 20 [******-*******+*****]
2 35 LYS 22.725 1.016 18 18 "[ *************.*-+**]"
2 36 LEU 36.245 1.136 8 20 [*-*****+************]
2 37 ILE 22.698 1.041 15 20 [***********-**+*****]
2 38 LYS 26.194 1.011 3 16 "[ *+**** **** -.*****]"
2 39 GLU 22.725 1.016 18 18 "[ *************.*-+**]"
2 40 ILE 36.245 1.136 8 20 [*-*****+************]
2 41 ILE 22.698 1.041 15 20 [***********-**+*****]
2 42 CYS 26.194 1.011 3 16 "[ *+**** **** -.*****]"
2 54 ARG 29.083 1.066 12 20 [*-*********+********]
2 55 SER 27.716 0.975 13 20 [**********-*+*******]
2 56 ARG 13.268 0.590 5 18 "[*** +-****** *******]"
2 57 GLY 34.731 1.043 4 20 [***+******-*********]
2 58 ASP 42.583 1.066 12 20 [***********+****-***]
2 59 TRP 51.908 0.975 13 20 [**********-*+*******]
2 60 HIS 46.516 1.028 4 20 [***+*-**************]
2 61 VAL 65.797 1.043 4 20 [***+**************-*]
2 62 ILE 45.499 1.012 11 20 [**********+*****-***]
2 63 LEU 55.408 0.977 18 20 [****************-+**]
2 64 TYR 65.902 1.028 4 20 [***+**********-*****]
2 65 LEU 31.067 0.992 11 20 [**********+*******-*]
2 66 MET 31.999 1.012 11 20 [*-********+*********]
2 67 LYS 31.217 0.977 18 20 [******-**********+**]
2 68 HIS 32.653 0.999 4 20 [-**+****************]
2 73 PRO 18.997 0.785 4 18 "[***+****** ** -*****]"
2 74 ASP 33.643 1.021 12 20 [*-*********+********]
2 75 LYS 23.333 0.886 6 19 "[**-**+******* ******]"
2 77 LEU 18.997 0.785 4 18 "[***+****** ** -*****]"
2 78 GLU 33.643 1.021 12 20 [*-*********+********]
2 79 LEU 23.333 0.886 6 19 "[**-**+******* ******]"
2 93 ASN 33.271 1.074 8 20 [*******+**-*********]
2 94 THR 11.157 0.534 19 3 "[ * 1 .- +2]"
2 95 GLN 33.250 1.041 6 20 [*****+*********-****]
2 96 LYS 26.899 0.943 3 20 [*-+*****************]
2 97 TYR 49.040 1.074 8 20 [***-***+************]
2 98 PHE 20.812 0.534 19 3 "[ * 1 .- +2]"
2 99 VAL 62.078 1.041 6 20 [*****+************-*]
2 100 ILE 61.607 1.072 15 20 [*-************+*****]
2 101 THR 31.165 0.664 2 20 [*+*-****************]
2 102 LEU 19.473 0.476 1 0 "[ . 1 . 2]"
2 103 SER 55.000 0.920 11 20 [**********+-********]
2 104 LYS 56.928 1.072 15 20 [**************+**-**]
2 105 ALA 46.783 1.003 16 20 [**************-+****]
2 106 TRP 28.819 0.758 4 20 [***+***************-]
2 107 SER 57.599 0.990 2 20 [*+*********-********]
2 108 VAL 54.110 0.913 10 20 [*********+*******-**]
2 109 VAL 53.706 1.003 16 20 [********-******+****]
2 110 LYS 44.660 0.758 4 20 [***+**************-*]
2 111 LYS 31.427 0.990 2 20 [*+************-*****]
2 112 TYR 31.890 0.913 10 20 [**-******+**********]
2 113 LEU 22.319 0.654 4 20 [***+****-***********]
2 114 GLU 25.659 0.714 16 20 [***************+**-*]
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 2 6 GLU O 2 10 LYS N . . 2.400 3.338 3.226 3.411 1.011 4 20 [***+******-*********] 2
2 2 6 GLU O 2 10 LYS H . . 1.800 2.489 2.419 2.569 0.769 4 20 [***+******-*********] 2
3 2 5 PHE O 2 9 ARG N . . 2.400 2.792 2.761 2.825 0.425 13 0 "[ . 1 . 2]" 2
4 2 5 PHE O 2 9 ARG H . . 1.800 1.822 1.790 1.859 0.059 13 0 "[ . 1 . 2]" 2
5 2 4 GLU O 2 8 LEU N . . 2.400 2.928 2.862 2.986 0.586 3 15 "[**+**** -*** *** *2]" 2
6 2 4 GLU O 2 8 LEU H . . 1.800 2.031 1.962 2.094 0.294 3 0 "[ . 1 . 2]" 2
7 2 3 VAL O 2 7 GLU N . . 2.400 3.378 3.262 3.443 1.043 3 20 [**+******-**********] 2
8 2 3 VAL O 2 7 GLU H . . 1.800 2.430 2.311 2.484 0.684 3 20 [**+******-**********] 2
9 2 2 VAL O 2 6 GLU N . . 2.400 3.111 2.861 3.234 0.834 20 19 "[*********-** ******+]" 2
10 2 2 VAL O 2 6 GLU H . . 1.800 2.283 2.024 2.418 0.618 7 9 "[** * +-*1 * . **]" 2
11 2 1 THR O 2 5 PHE N . . 2.400 3.280 2.830 3.398 0.998 13 19 "[* *****-****+*******]" 2
12 2 1 THR O 2 5 PHE H . . 1.800 2.339 1.874 2.444 0.644 13 14 "[ **** *1* +****-**]" 2
13 2 11 GLU O 2 15 ARG N . . 2.400 3.422 3.303 3.476 1.076 20 20 [****-**************+] 2
14 2 11 GLU O 2 15 ARG H . . 1.800 2.664 2.513 2.696 0.896 6 20 [****-+**************] 2
15 2 10 LYS O 2 14 LYS N . . 2.400 3.097 3.045 3.161 0.761 5 20 [****+***-***********] 2
16 2 10 LYS O 2 14 LYS H . . 1.800 2.212 2.150 2.282 0.482 5 0 "[ . 1 . 2]" 2
17 2 9 ARG O 2 13 VAL N . . 2.400 2.826 2.781 2.917 0.517 20 1 "[ . 1 . +]" 2
18 2 9 ARG O 2 13 VAL H . . 1.800 1.904 1.846 1.983 0.183 20 0 "[ . 1 . 2]" 2
19 2 8 LEU O 2 12 LEU N . . 2.400 3.263 3.168 3.335 0.935 11 20 [******-***+*********] 2
20 2 8 LEU O 2 12 LEU H . . 1.800 2.414 2.305 2.467 0.667 19 20 [****-*************+*] 2
21 2 7 GLU O 2 11 GLU N . . 2.400 3.458 3.432 3.510 1.110 11 20 [**********+-********] 2
22 2 7 GLU O 2 11 GLU H . . 1.800 2.573 2.530 2.622 0.822 11 20 [****-*****+*********] 2
23 2 26 GLU O 2 30 THR N . . 2.400 3.454 3.223 3.809 1.409 15 20 [******-*******+*****] 2
24 2 26 GLU O 2 30 THR H . . 1.800 2.673 2.405 3.121 1.321 19 20 [******-***********+*] 2
25 2 25 LYS O 2 29 CYS N . . 2.400 2.990 2.849 3.266 0.866 15 18 "[* ******-*****+****2]" 2
26 2 25 LYS O 2 29 CYS H . . 1.800 2.076 1.969 2.396 0.596 15 1 "[ . 1 + 2]" 2
27 2 24 ILE O 2 28 ILE N . . 2.400 3.282 3.239 3.341 0.941 7 20 [******+*******-*****] 2
28 2 24 ILE O 2 28 ILE H . . 1.800 2.444 2.383 2.502 0.702 7 20 [******+*******-*****] 2
29 2 23 LYS O 2 27 GLU N . . 2.400 2.942 2.873 3.023 0.623 19 19 "[************ ***-*+*]" 2
30 2 23 LYS O 2 27 GLU H . . 1.800 1.979 1.897 2.058 0.258 19 0 "[ . 1 . 2]" 2
31 2 21 VAL O 2 25 LYS N . . 2.400 3.468 3.434 3.518 1.118 11 20 [****-*****+*********] 2
32 2 21 VAL O 2 25 LYS H . . 1.800 2.500 2.463 2.553 0.753 11 20 [****-*****+*********] 2
33 2 38 LYS O 2 42 CYS N . . 2.400 3.154 2.636 3.411 1.011 3 16 "[ *+**** **** -.*****]" 2
34 2 38 LYS O 2 42 CYS H . . 1.800 2.355 1.800 2.614 0.814 3 16 "[ *+**** **** -.*****]" 2
35 2 37 ILE O 2 41 ILE N . . 2.400 3.137 2.936 3.441 1.041 15 20 [***********-**+*****] 2
36 2 37 ILE O 2 41 ILE H . . 1.800 2.198 1.956 2.608 0.808 15 7 "[* . **1 * +* -]" 2
37 2 36 LEU O 2 40 ILE N . . 2.400 3.459 3.373 3.536 1.136 8 20 [*******+**********-*] 2
38 2 36 LEU O 2 40 ILE H . . 1.800 2.553 2.503 2.608 0.808 12 20 [*-*********+********] 2
39 2 35 LYS O 2 39 GLU N . . 2.400 3.145 2.799 3.416 1.016 18 18 "[ ******-******.**+**]" 2
40 2 35 LYS O 2 39 GLU H . . 1.800 2.191 1.852 2.466 0.666 4 6 "[ +. 1 * .*-* *]" 2
41 2 64 TYR O 2 68 HIS N . . 2.400 3.329 3.294 3.399 0.999 4 20 [***+*****-**********] 2
42 2 64 TYR O 2 68 HIS H . . 1.800 2.504 2.469 2.561 0.761 11 20 [-*********+*********] 2
43 2 63 LEU O 2 67 LYS N . . 2.400 3.315 3.232 3.377 0.977 18 20 [******-**********+**] 2
44 2 63 LEU O 2 67 LYS H . . 1.800 2.446 2.366 2.475 0.675 19 20 [******-***********+*] 2
45 2 62 ILE O 2 66 MET N . . 2.400 3.347 3.303 3.412 1.012 11 20 [**********+******-**] 2
46 2 62 ILE O 2 66 MET H . . 1.800 2.453 2.410 2.491 0.691 11 20 [*-********+*********] 2
47 2 61 VAL O 2 65 LEU N . . 2.400 3.336 3.259 3.392 0.992 11 20 [**********+*******-*] 2
48 2 61 VAL O 2 65 LEU H . . 1.800 2.417 2.331 2.471 0.671 11 20 [**********+*******-*] 2
49 2 60 HIS O 2 64 TYR N . . 2.400 3.360 3.254 3.428 1.028 4 20 [***+**********-*****] 2
50 2 60 HIS O 2 64 TYR H . . 1.800 2.503 2.441 2.546 0.746 4 20 [***+**********-*****] 2
51 2 59 TRP O 2 63 LEU N . . 2.400 3.175 3.120 3.248 0.848 17 20 [*-**************+***] 2
52 2 59 TRP O 2 63 LEU H . . 1.800 2.235 2.182 2.319 0.519 17 1 "[ . 1 . + 2]" 2
53 2 58 ASP O 2 62 ILE N . . 2.400 2.914 2.819 2.960 0.560 12 14 "[* *.*** **+*** -* *]" 2
54 2 58 ASP O 2 62 ILE H . . 1.800 1.961 1.867 2.004 0.204 12 0 "[ . 1 . 2]" 2
55 2 57 GLY O 2 61 VAL N . . 2.400 3.419 3.384 3.443 1.043 4 20 [***+**********-*****] 2
56 2 57 GLY O 2 61 VAL H . . 1.800 2.517 2.499 2.549 0.749 4 20 [***+******-*********] 2
57 2 56 ARG O 2 60 HIS N . . 2.400 2.931 2.821 2.990 0.590 5 18 "[*** +-****** *******]" 2
58 2 56 ARG O 2 60 HIS H . . 1.800 1.932 1.813 1.999 0.199 5 0 "[ . 1 . 2]" 2
59 2 55 SER O 2 59 TRP N . . 2.400 3.232 2.977 3.375 0.975 13 20 [************+*****-*] 2
60 2 55 SER O 2 59 TRP H . . 1.800 2.353 2.101 2.491 0.691 13 16 "[** *.*****-*+** ** *]" 2
61 2 54 ARG O 2 58 ASP N . . 2.400 3.308 3.010 3.466 1.066 12 20 [***********+-*******] 2
62 2 54 ARG O 2 58 ASP H . . 1.800 2.346 2.042 2.506 0.706 11 14 "[*- * ***1+* *.*****]" 2
63 2 75 LYS O 2 79 LEU N . . 2.400 3.114 2.884 3.286 0.886 6 19 "[*****+******* *****-]" 2
64 2 75 LYS O 2 79 LEU H . . 1.800 2.253 2.011 2.422 0.622 6 7 "[ *-**+* 1 . * 2]" 2
65 2 74 ASP O 2 78 GLU N . . 2.400 3.350 3.258 3.421 1.021 12 20 [*-*********+********] 2
66 2 74 ASP O 2 78 GLU H . . 1.800 2.532 2.440 2.590 0.790 12 20 [*-*********+********] 2
67 2 73 PRO O 2 77 LEU N . . 2.400 3.028 2.891 3.185 0.785 4 18 "[***+****** ** -*****]" 2
68 2 73 PRO O 2 77 LEU H . . 1.800 2.122 1.963 2.327 0.527 4 2 "[ +. 1 . -2]" 2
69 2 110 LYS O 2 114 GLU N . . 2.400 2.982 2.963 2.996 0.596 7 20 [******+***********-*] 2
70 2 110 LYS O 2 114 GLU H . . 1.800 2.501 2.486 2.514 0.714 16 20 [***********-***+****] 2
71 2 109 VAL O 2 113 LEU N . . 2.400 3.018 2.995 3.054 0.654 4 20 [***+*************-**] 2
72 2 109 VAL O 2 113 LEU H . . 1.800 2.297 2.254 2.348 0.548 4 8 "[ +* **-1* * *2]" 2
73 2 108 VAL O 2 112 TYR N . . 2.400 3.251 3.188 3.313 0.913 10 20 [**-******+**********] 2
74 2 108 VAL O 2 112 TYR H . . 1.800 2.544 2.476 2.605 0.805 16 20 [**-************+****] 2
75 2 107 SER O 2 111 LYS N . . 2.400 3.350 3.328 3.390 0.990 2 20 [*+************-*****] 2
76 2 107 SER O 2 111 LYS H . . 1.800 2.422 2.388 2.466 0.666 7 20 [******+*******-*****] 2
77 2 106 TRP O 2 110 LYS N . . 2.400 3.066 2.991 3.158 0.758 4 20 [***+***************-] 2
78 2 106 TRP O 2 110 LYS H . . 1.800 2.084 2.005 2.194 0.394 4 0 "[ . 1 . 2]" 2
79 2 105 ALA O 2 109 VAL N . . 2.400 3.327 3.243 3.403 1.003 16 20 [****-**********+****] 2
80 2 105 ALA O 2 109 VAL H . . 1.800 2.442 2.346 2.528 0.728 18 20 [****-************+**] 2
81 2 104 LYS O 2 108 VAL N . . 2.400 3.113 2.983 3.251 0.851 18 20 [****-************+**] 2
82 2 104 LYS O 2 108 VAL H . . 1.800 2.198 2.033 2.352 0.552 11 2 "[ . 1+ . - 2]" 2
83 2 103 SER O 2 107 SER N . . 2.400 3.190 3.118 3.320 0.920 11 20 [**********+******-**] 2
84 2 103 SER O 2 107 SER H . . 1.800 2.318 2.232 2.424 0.624 11 13 "[*** * * *+-**** *]" 2
85 2 102 LEU O 2 106 TRP N . . 2.400 2.815 2.790 2.838 0.438 14 0 "[ . 1 . 2]" 2
86 2 102 LEU O 2 106 TRP H . . 1.800 1.876 1.837 1.900 0.100 9 0 "[ . 1 . 2]" 2
87 2 101 THR O 2 105 ALA N . . 2.400 2.969 2.921 3.014 0.614 9 20 [********+*****-*****] 2
88 2 101 THR O 2 105 ALA H . . 1.800 2.001 1.934 2.052 0.252 11 0 "[ . 1 . 2]" 2
89 2 100 ILE O 2 104 LYS N . . 2.400 3.450 3.421 3.472 1.072 15 20 [*******-******+*****] 2
90 2 100 ILE O 2 104 LYS H . . 1.800 2.486 2.465 2.515 0.715 2 20 [*+*-****************] 2
91 2 99 VAL O 2 103 SER N . . 2.400 3.247 3.047 3.302 0.902 3 20 [*-+*****************] 2
92 2 99 VAL O 2 103 SER H . . 1.800 2.395 2.165 2.445 0.645 3 19 "[* +***************-*]" 2
93 2 98 PHE O 2 102 LEU N . . 2.400 2.836 2.811 2.876 0.476 1 0 "[ . 1 . 2]" 2
94 2 98 PHE O 2 102 LEU H . . 1.800 1.846 1.823 1.885 0.085 1 0 "[ . 1 . 2]" 2
95 2 97 TYR O 2 101 THR N . . 2.400 2.982 2.888 3.064 0.664 2 19 "[*+*-******** *******]" 2
96 2 97 TYR O 2 101 THR H . . 1.800 2.006 1.909 2.092 0.292 2 0 "[ . 1 . 2]" 2
97 2 96 LYS O 2 100 ILE N . . 2.400 3.226 3.081 3.343 0.943 3 20 [**+-****************] 2
98 2 96 LYS O 2 100 ILE H . . 1.800 2.319 2.166 2.438 0.638 3 11 "[*-+ . **** * *. ** 2]" 2
99 2 95 GLN O 2 99 VAL N . . 2.400 3.403 3.347 3.441 1.041 6 20 [*****+*********-****] 2
100 2 95 GLN O 2 99 VAL H . . 1.800 2.459 2.419 2.486 0.686 1 20 [+**************-****] 2
101 2 94 THR O 2 98 PHE N . . 2.400 2.865 2.816 2.934 0.534 19 3 "[ * 1 .- +2]" 2
102 2 94 THR O 2 98 PHE H . . 1.800 1.893 1.843 1.951 0.151 19 0 "[ . 1 . 2]" 2
103 2 93 ASN O 2 97 TYR N . . 2.400 3.384 3.270 3.474 1.074 8 20 [*******+**-*********] 2
104 2 93 ASN O 2 97 TYR H . . 1.800 2.480 2.363 2.534 0.734 9 20 [********+*-*********] 2
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 11:49:31 PM GMT (wattos1)