NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
463270 |
2ke0   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ke0
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 1768
_Distance_constraint_stats_list.Viol_count 1451
_Distance_constraint_stats_list.Viol_total 593.169
_Distance_constraint_stats_list.Viol_max 0.283
_Distance_constraint_stats_list.Viol_rms 0.0066
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0204
_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 4 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 MET 0.290 0.134 2 0 "[ . 1 . 2]"
1 6 THR 0.291 0.134 2 0 "[ . 1 . 2]"
1 7 VAL 0.021 0.009 3 0 "[ . 1 . 2]"
1 8 VAL 0.180 0.055 14 0 "[ . 1 . 2]"
1 9 THR 0.228 0.049 16 0 "[ . 1 . 2]"
1 10 THR 0.335 0.064 16 0 "[ . 1 . 2]"
1 11 GLU 0.013 0.012 3 0 "[ . 1 . 2]"
1 12 SER 0.009 0.006 16 0 "[ . 1 . 2]"
1 13 GLY 0.045 0.018 1 0 "[ . 1 . 2]"
1 14 LEU 3.118 0.283 14 0 "[ . 1 . 2]"
1 15 LYS 0.737 0.058 15 0 "[ . 1 . 2]"
1 16 TYR 2.801 0.081 4 0 "[ . 1 . 2]"
1 17 GLU 0.001 0.001 20 0 "[ . 1 . 2]"
1 18 ASP 0.388 0.091 1 0 "[ . 1 . 2]"
1 19 LEU 0.769 0.152 12 0 "[ . 1 . 2]"
1 20 THR 0.006 0.006 12 0 "[ . 1 . 2]"
1 21 GLU 0.001 0.001 14 0 "[ . 1 . 2]"
1 22 GLY 0.001 0.001 14 0 "[ . 1 . 2]"
1 23 SER 0.082 0.024 9 0 "[ . 1 . 2]"
1 24 GLY 0.168 0.033 12 0 "[ . 1 . 2]"
1 25 ALA 0.096 0.033 12 0 "[ . 1 . 2]"
1 26 GLU 0.377 0.047 19 0 "[ . 1 . 2]"
1 27 ALA 0.430 0.064 7 0 "[ . 1 . 2]"
1 28 ARG 0.115 0.028 11 0 "[ . 1 . 2]"
1 29 ALA 0.161 0.050 14 0 "[ . 1 . 2]"
1 30 GLY 0.623 0.104 6 0 "[ . 1 . 2]"
1 31 GLN 0.490 0.047 7 0 "[ . 1 . 2]"
1 32 THR 0.116 0.029 7 0 "[ . 1 . 2]"
1 33 VAL 0.133 0.029 7 0 "[ . 1 . 2]"
1 34 SER 0.108 0.053 13 0 "[ . 1 . 2]"
1 35 VAL 0.727 0.103 10 0 "[ . 1 . 2]"
1 36 HIS 0.672 0.121 13 0 "[ . 1 . 2]"
1 37 TYR 0.957 0.047 13 0 "[ . 1 . 2]"
1 38 THR 0.804 0.045 19 0 "[ . 1 . 2]"
1 39 GLY 0.156 0.036 7 0 "[ . 1 . 2]"
1 40 TRP 2.437 0.114 8 0 "[ . 1 . 2]"
1 41 LEU 0.506 0.096 20 0 "[ . 1 . 2]"
1 42 THR 1.041 0.263 18 0 "[ . 1 . 2]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLN 0.324 0.038 18 0 "[ . 1 . 2]"
1 46 LYS 0.137 0.022 19 0 "[ . 1 . 2]"
1 47 PHE 2.055 0.263 18 0 "[ . 1 . 2]"
1 48 ASP 0.340 0.108 15 0 "[ . 1 . 2]"
1 49 SER 0.435 0.033 8 0 "[ . 1 . 2]"
1 50 SER 0.030 0.012 14 0 "[ . 1 . 2]"
1 51 LYS 0.134 0.047 8 0 "[ . 1 . 2]"
1 52 ASP 0.111 0.047 8 0 "[ . 1 . 2]"
1 53 ARG 0.136 0.035 8 0 "[ . 1 . 2]"
1 54 ASN 0.100 0.030 16 0 "[ . 1 . 2]"
1 55 ASP 0.104 0.035 8 0 "[ . 1 . 2]"
1 56 PRO 0.176 0.035 8 0 "[ . 1 . 2]"
1 57 PHE 1.052 0.055 11 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PHE 1.868 0.056 11 0 "[ . 1 . 2]"
1 60 VAL 0.762 0.076 14 0 "[ . 1 . 2]"
1 61 LEU 0.864 0.047 7 0 "[ . 1 . 2]"
1 62 GLY 0.449 0.050 14 0 "[ . 1 . 2]"
1 63 GLY 0.831 0.104 6 0 "[ . 1 . 2]"
1 64 GLY 0.081 0.015 5 0 "[ . 1 . 2]"
1 65 MET 0.442 0.055 11 0 "[ . 1 . 2]"
1 66 VAL 0.613 0.056 11 0 "[ . 1 . 2]"
1 67 ILE 0.634 0.094 7 0 "[ . 1 . 2]"
1 68 LYS 0.125 0.125 2 0 "[ . 1 . 2]"
1 69 GLY 1.763 0.283 14 0 "[ . 1 . 2]"
1 70 TRP 3.851 0.125 13 0 "[ . 1 . 2]"
1 71 ASP 0.196 0.054 11 0 "[ . 1 . 2]"
1 72 GLU 0.756 0.093 17 0 "[ . 1 . 2]"
1 73 GLY 0.533 0.122 6 0 "[ . 1 . 2]"
1 74 VAL 0.781 0.125 13 0 "[ . 1 . 2]"
1 75 GLN 0.584 0.122 6 0 "[ . 1 . 2]"
1 76 GLY 0.169 0.040 7 0 "[ . 1 . 2]"
1 77 MET 1.392 0.204 15 0 "[ . 1 . 2]"
1 78 LYS 0.074 0.018 6 0 "[ . 1 . 2]"
1 79 VAL 0.246 0.043 14 0 "[ . 1 . 2]"
1 80 GLY 0.016 0.016 7 0 "[ . 1 . 2]"
1 81 GLY 0.334 0.177 15 0 "[ . 1 . 2]"
1 82 VAL 0.033 0.026 5 0 "[ . 1 . 2]"
1 83 ARG 1.337 0.091 1 0 "[ . 1 . 2]"
1 84 ARG 0.784 0.152 12 0 "[ . 1 . 2]"
1 85 LEU 0.982 0.133 19 0 "[ . 1 . 2]"
1 86 THR 0.668 0.133 19 0 "[ . 1 . 2]"
1 87 ILE 1.611 0.090 4 0 "[ . 1 . 2]"
1 89 PRO 0.585 0.058 5 0 "[ . 1 . 2]"
1 90 GLN 0.036 0.014 20 0 "[ . 1 . 2]"
1 91 LEU 0.366 0.071 18 0 "[ . 1 . 2]"
1 92 GLY 1.090 0.094 7 0 "[ . 1 . 2]"
1 93 TYR 0.440 0.110 7 0 "[ . 1 . 2]"
1 94 GLY 0.017 0.011 1 0 "[ . 1 . 2]"
1 95 ALA 0.103 0.039 7 0 "[ . 1 . 2]"
1 96 ARG 0.058 0.058 7 0 "[ . 1 . 2]"
1 97 GLY 0.072 0.058 7 0 "[ . 1 . 2]"
1 98 ALA 0.202 0.110 7 0 "[ . 1 . 2]"
1 99 GLY 0.136 0.036 18 0 "[ . 1 . 2]"
1 100 GLY 0.007 0.007 7 0 "[ . 1 . 2]"
1 101 VAL 0.227 0.056 7 0 "[ . 1 . 2]"
1 102 ILE 0.443 0.043 7 0 "[ . 1 . 2]"
1 104 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ASN 0.118 0.039 7 0 "[ . 1 . 2]"
1 106 ALA 0.029 0.023 19 0 "[ . 1 . 2]"
1 107 THR 0.524 0.045 19 0 "[ . 1 . 2]"
1 108 LEU 0.504 0.040 5 0 "[ . 1 . 2]"
1 109 VAL 0.560 0.053 18 0 "[ . 1 . 2]"
1 110 PHE 2.060 0.114 8 0 "[ . 1 . 2]"
1 111 GLU 0.585 0.128 8 0 "[ . 1 . 2]"
1 112 VAL 0.155 0.035 15 0 "[ . 1 . 2]"
1 113 GLU 0.219 0.078 15 0 "[ . 1 . 2]"
1 114 LEU 1.079 0.204 15 0 "[ . 1 . 2]"
1 115 LEU 0.818 0.193 15 0 "[ . 1 . 2]"
1 116 ASP 0.531 0.193 15 0 "[ . 1 . 2]"
1 117 VAL 0.101 0.022 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 54 ASN H 1 55 ASP H . . 3.750 2.768 2.633 2.866 . 0 0 "[ . 1 . 2]" 1
2 1 53 ARG H 1 54 ASN H . . 3.620 2.239 2.013 2.434 . 0 0 "[ . 1 . 2]" 1
3 1 39 GLY H 1 49 SER HA . . 4.310 3.323 2.935 3.658 . 0 0 "[ . 1 . 2]" 1
4 1 38 THR HA 1 39 GLY H . . 3.250 2.177 2.174 2.180 . 0 0 "[ . 1 . 2]" 1
5 1 39 GLY H 1 46 LYS QG . . 4.440 3.812 3.565 4.067 . 0 0 "[ . 1 . 2]" 1
6 1 38 THR MG 1 39 GLY H . . 3.390 3.245 3.183 3.326 . 0 0 "[ . 1 . 2]" 1
7 1 37 TYR H 1 37 TYR QD . . 4.010 2.442 2.332 2.528 . 0 0 "[ . 1 . 2]" 1
8 1 36 HIS HA 1 37 TYR H . . 3.400 2.173 2.169 2.200 . 0 0 "[ . 1 . 2]" 1
9 1 36 HIS HB3 1 37 TYR H . . 4.880 3.309 3.170 3.362 . 0 0 "[ . 1 . 2]" 1
10 1 36 HIS HB2 1 37 TYR H . . 4.880 4.367 4.283 4.393 . 0 0 "[ . 1 . 2]" 1
11 1 35 VAL H 1 35 VAL MG1 . . 4.020 2.872 2.769 2.967 . 0 0 "[ . 1 . 2]" 1
12 1 35 VAL H 1 35 VAL MG2 . . 4.020 2.218 2.080 2.394 . 0 0 "[ . 1 . 2]" 1
13 1 34 SER H 1 116 ASP H . . 3.760 3.079 2.787 3.302 . 0 0 "[ . 1 . 2]" 1
14 1 33 VAL HA 1 34 SER H . . 2.930 2.363 2.305 2.393 . 0 0 "[ . 1 . 2]" 1
15 1 34 SER H 1 117 VAL HA . . 4.250 3.460 3.224 3.929 . 0 0 "[ . 1 . 2]" 1
16 1 34 SER H 1 34 SER HB3 . . 3.910 3.683 3.093 3.762 . 0 0 "[ . 1 . 2]" 1
17 1 33 VAL HB 1 34 SER H . . 3.330 2.499 2.424 2.643 . 0 0 "[ . 1 . 2]" 1
18 1 33 VAL MG1 1 34 SER H . . 4.060 3.803 3.766 3.864 . 0 0 "[ . 1 . 2]" 1
19 1 33 VAL MG2 1 34 SER H . . 4.010 3.356 3.257 3.498 . 0 0 "[ . 1 . 2]" 1
20 1 77 MET H 1 77 MET QG . . 3.770 2.688 1.942 3.945 0.175 15 0 "[ . 1 . 2]" 1
21 1 72 GLU H 1 72 GLU HB3 . . 3.270 2.838 2.590 3.252 . 0 0 "[ . 1 . 2]" 1
22 1 72 GLU H 1 72 GLU HG2 . . 5.010 4.393 3.586 4.621 . 0 0 "[ . 1 . 2]" 1
23 1 64 GLY H 1 66 VAL H . . 4.590 3.557 2.888 4.446 . 0 0 "[ . 1 . 2]" 1
24 1 61 LEU HA 1 62 GLY H . . 3.120 2.180 2.163 2.224 . 0 0 "[ . 1 . 2]" 1
25 1 6 THR H 1 6 THR HB . . 3.850 3.078 2.635 3.684 . 0 0 "[ . 1 . 2]" 1
26 1 5 MET HA 1 6 THR H . . 3.420 2.614 2.142 3.554 0.134 2 0 "[ . 1 . 2]" 1
27 1 79 VAL H 1 79 VAL MG2 . . 2.880 2.063 1.927 2.359 . 0 0 "[ . 1 . 2]" 1
28 1 79 VAL H 1 79 VAL HB . . 3.250 2.570 2.498 2.611 . 0 0 "[ . 1 . 2]" 1
29 1 25 ALA MB 1 79 VAL H . . 4.110 3.839 3.459 4.106 . 0 0 "[ . 1 . 2]" 1
30 1 26 GLU QB 1 79 VAL H . . 5.440 5.245 4.770 5.463 0.023 11 0 "[ . 1 . 2]" 1
31 1 79 VAL H 1 114 LEU HB3 . . 4.530 4.228 4.008 4.573 0.043 14 0 "[ . 1 . 2]" 1
32 1 24 GLY HA2 1 79 VAL H . . 5.500 5.144 4.899 5.412 . 0 0 "[ . 1 . 2]" 1
33 1 24 GLY HA3 1 79 VAL H . . 4.720 3.638 3.411 3.884 . 0 0 "[ . 1 . 2]" 1
34 1 26 GLU HA 1 79 VAL H . . 4.060 3.794 3.431 3.887 . 0 0 "[ . 1 . 2]" 1
35 1 78 LYS HA 1 79 VAL H . . 3.090 2.401 2.291 2.517 . 0 0 "[ . 1 . 2]" 1
36 1 25 ALA H 1 79 VAL H . . 3.960 2.362 1.887 3.174 . 0 0 "[ . 1 . 2]" 1
37 1 4 SER QB 1 5 MET H . . 5.140 3.417 2.464 4.056 . 0 0 "[ . 1 . 2]" 1
38 1 5 MET H 1 6 THR H . . 4.810 3.453 2.076 4.369 . 0 0 "[ . 1 . 2]" 1
39 1 6 THR H 1 6 THR MG . . 4.070 3.066 1.950 4.004 . 0 0 "[ . 1 . 2]" 1
40 1 7 VAL H 1 7 VAL HB . . 3.300 2.860 2.530 3.208 . 0 0 "[ . 1 . 2]" 1
41 1 7 VAL H 1 7 VAL MG2 . . 4.000 3.369 2.089 3.949 . 0 0 "[ . 1 . 2]" 1
42 1 7 VAL H 1 7 VAL MG1 . . 4.000 2.744 1.925 3.912 . 0 0 "[ . 1 . 2]" 1
43 1 6 THR MG 1 7 VAL H . . 3.760 3.230 2.404 3.760 0.000 12 0 "[ . 1 . 2]" 1
44 1 7 VAL HB 1 8 VAL H . . 4.350 4.117 3.978 4.246 . 0 0 "[ . 1 . 2]" 1
45 1 8 VAL H 1 15 LYS QB . . 4.900 3.751 2.527 4.379 . 0 0 "[ . 1 . 2]" 1
46 1 7 VAL MG2 1 8 VAL H . . 4.280 2.983 1.944 4.112 . 0 0 "[ . 1 . 2]" 1
47 1 7 VAL MG1 1 8 VAL H . . 4.280 3.292 2.156 3.966 . 0 0 "[ . 1 . 2]" 1
48 1 8 VAL H 1 8 VAL MG2 . . 4.320 3.232 2.474 3.986 . 0 0 "[ . 1 . 2]" 1
49 1 8 VAL H 1 8 VAL HB . . 3.290 2.747 2.511 3.264 . 0 0 "[ . 1 . 2]" 1
50 1 7 VAL HA 1 8 VAL H . . 2.950 2.187 2.142 2.290 . 0 0 "[ . 1 . 2]" 1
51 1 8 VAL H 1 15 LYS HA . . 4.900 4.443 3.698 4.902 0.002 14 0 "[ . 1 . 2]" 1
52 1 8 VAL H 1 9 THR H . . 4.740 4.386 4.139 4.578 . 0 0 "[ . 1 . 2]" 1
53 1 8 VAL HA 1 9 THR H . . 2.620 2.211 2.140 2.291 . 0 0 "[ . 1 . 2]" 1
54 1 9 THR H 1 9 THR MG . . 3.990 3.091 2.051 3.945 . 0 0 "[ . 1 . 2]" 1
55 1 10 THR H 1 10 THR MG . . 3.140 2.336 2.055 2.611 . 0 0 "[ . 1 . 2]" 1
56 1 9 THR HB 1 10 THR H . . 4.570 3.511 2.902 4.263 . 0 0 "[ . 1 . 2]" 1
57 1 10 THR H 1 15 LYS HA . . 4.800 3.920 3.075 4.599 . 0 0 "[ . 1 . 2]" 1
58 1 9 THR HA 1 10 THR H . . 2.930 2.179 2.140 2.337 . 0 0 "[ . 1 . 2]" 1
59 1 10 THR MG 1 11 GLU H . . 3.860 3.728 3.556 3.860 0.000 18 0 "[ . 1 . 2]" 1
60 1 11 GLU H 1 11 GLU QB . . 3.160 2.370 2.230 2.630 . 0 0 "[ . 1 . 2]" 1
61 1 11 GLU H 1 13 GLY H . . 4.920 4.371 4.246 4.497 . 0 0 "[ . 1 . 2]" 1
62 1 12 SER H 1 12 SER HB3 . . 4.210 3.040 2.303 3.598 . 0 0 "[ . 1 . 2]" 1
63 1 12 SER H 1 12 SER HB2 . . 4.210 3.045 2.137 3.625 . 0 0 "[ . 1 . 2]" 1
64 1 10 THR MG 1 12 SER H . . 4.210 4.148 3.999 4.216 0.006 16 0 "[ . 1 . 2]" 1
65 1 11 GLU QG 1 12 SER H . . 4.680 3.820 2.133 4.595 . 0 0 "[ . 1 . 2]" 1
66 1 11 GLU QB 1 12 SER H . . 3.700 3.086 2.854 3.659 . 0 0 "[ . 1 . 2]" 1
67 1 11 GLU H 1 12 SER H . . 3.840 2.615 2.375 2.753 . 0 0 "[ . 1 . 2]" 1
68 1 12 SER H 1 13 GLY H . . 3.340 2.537 2.410 2.669 . 0 0 "[ . 1 . 2]" 1
69 1 10 THR MG 1 13 GLY H . . 4.330 4.180 3.887 4.348 0.018 1 0 "[ . 1 . 2]" 1
70 1 13 GLY H 1 14 LEU H . . 3.290 2.310 2.155 2.579 . 0 0 "[ . 1 . 2]" 1
71 1 10 THR H 1 13 GLY H . . 4.750 3.424 2.827 3.969 . 0 0 "[ . 1 . 2]" 1
72 1 14 LEU H 1 14 LEU HG . . 4.470 3.149 2.784 3.673 . 0 0 "[ . 1 . 2]" 1
73 1 10 THR MG 1 14 LEU H . . 4.520 4.437 4.185 4.584 0.064 16 0 "[ . 1 . 2]" 1
74 1 14 LEU H 1 14 LEU MD2 . . 4.480 3.170 2.805 3.861 . 0 0 "[ . 1 . 2]" 1
75 1 12 SER H 1 14 LEU H . . 4.550 4.320 4.081 4.510 . 0 0 "[ . 1 . 2]" 1
76 1 10 THR H 1 14 LEU H . . 4.500 4.209 3.791 4.505 0.005 14 0 "[ . 1 . 2]" 1
77 1 15 LYS H 1 15 LYS QB . . 3.250 2.929 2.648 3.249 . 0 0 "[ . 1 . 2]" 1
78 1 15 LYS H 1 15 LYS HG2 . . 4.660 3.604 2.168 4.669 0.009 19 0 "[ . 1 . 2]" 1
79 1 14 LEU MD2 1 15 LYS H . . 4.550 3.990 2.355 4.600 0.050 14 0 "[ . 1 . 2]" 1
80 1 15 LYS H 1 87 ILE MG . . 5.360 4.667 3.895 5.034 . 0 0 "[ . 1 . 2]" 1
81 1 15 LYS H 1 15 LYS HG3 . . 4.660 3.028 2.306 3.831 . 0 0 "[ . 1 . 2]" 1
82 1 15 LYS H 1 86 THR HB . . 4.020 3.277 2.854 3.719 . 0 0 "[ . 1 . 2]" 1
83 1 14 LEU HA 1 15 LYS H . . 3.160 2.421 2.324 2.480 . 0 0 "[ . 1 . 2]" 1
84 1 8 VAL HB 1 16 TYR H . . 4.840 3.924 2.331 4.870 0.030 14 0 "[ . 1 . 2]" 1
85 1 8 VAL MG2 1 16 TYR H . . 5.050 4.342 3.601 4.537 . 0 0 "[ . 1 . 2]" 1
86 1 15 LYS QB 1 16 TYR H . . 3.740 2.914 2.745 2.964 . 0 0 "[ . 1 . 2]" 1
87 1 15 LYS HG2 1 16 TYR H . . 5.500 4.690 4.130 5.325 . 0 0 "[ . 1 . 2]" 1
88 1 15 LYS HG3 1 16 TYR H . . 5.500 4.929 4.500 5.221 . 0 0 "[ . 1 . 2]" 1
89 1 15 LYS QD 1 16 TYR H . . 5.500 5.147 4.894 5.513 0.013 3 0 "[ . 1 . 2]" 1
90 1 7 VAL HA 1 16 TYR H . . 5.210 4.972 4.608 5.215 0.005 1 0 "[ . 1 . 2]" 1
91 1 15 LYS HA 1 16 TYR H . . 3.000 2.212 2.201 2.267 . 0 0 "[ . 1 . 2]" 1
92 1 16 TYR H 1 16 TYR QD . . 4.270 3.048 2.764 3.203 . 0 0 "[ . 1 . 2]" 1
93 1 8 VAL H 1 16 TYR H . . 3.650 3.348 2.896 3.641 . 0 0 "[ . 1 . 2]" 1
94 1 17 GLU H 1 17 GLU HB3 . . 3.960 2.964 2.744 3.102 . 0 0 "[ . 1 . 2]" 1
95 1 36 HIS H 1 113 GLU HG3 . . 5.500 3.587 2.249 5.548 0.048 15 0 "[ . 1 . 2]" 1
96 1 17 GLU H 1 85 LEU HA . . 4.460 3.645 3.445 3.887 . 0 0 "[ . 1 . 2]" 1
97 1 16 TYR HA 1 17 GLU H . . 3.100 2.414 2.347 2.433 . 0 0 "[ . 1 . 2]" 1
98 1 16 TYR QD 1 17 GLU H . . 4.170 3.140 2.915 3.418 . 0 0 "[ . 1 . 2]" 1
99 1 36 HIS H 1 113 GLU H . . 3.730 2.601 2.318 2.922 . 0 0 "[ . 1 . 2]" 1
100 1 35 VAL HA 1 36 HIS H . . 3.080 2.352 2.311 2.385 . 0 0 "[ . 1 . 2]" 1
101 1 36 HIS H 1 114 LEU HA . . 4.630 3.907 3.640 4.107 . 0 0 "[ . 1 . 2]" 1
102 1 35 VAL HB 1 36 HIS H . . 3.890 2.535 2.467 2.630 . 0 0 "[ . 1 . 2]" 1
103 1 36 HIS H 1 115 LEU HG . . 4.460 3.290 2.777 4.040 . 0 0 "[ . 1 . 2]" 1
104 1 35 VAL MG2 1 36 HIS H . . 4.060 3.329 3.223 3.444 . 0 0 "[ . 1 . 2]" 1
105 1 35 VAL MG1 1 36 HIS H . . 4.060 3.839 3.814 3.888 . 0 0 "[ . 1 . 2]" 1
106 1 17 GLU H 1 83 ARG QG . . 4.500 3.343 2.889 3.904 . 0 0 "[ . 1 . 2]" 1
107 1 36 HIS H 1 115 LEU H . . 4.660 4.486 4.287 4.700 0.040 15 0 "[ . 1 . 2]" 1
108 1 16 TYR H 1 17 GLU H . . 4.860 4.409 4.386 4.434 . 0 0 "[ . 1 . 2]" 1
109 1 18 ASP H 1 18 ASP HB2 . . 3.720 3.211 2.082 3.621 . 0 0 "[ . 1 . 2]" 1
110 1 83 ARG QG 1 84 ARG H . . 4.090 2.651 2.246 3.146 . 0 0 "[ . 1 . 2]" 1
111 1 19 LEU MD2 1 84 ARG H . . 4.800 3.782 1.922 4.802 0.002 17 0 "[ . 1 . 2]" 1
112 1 19 LEU MD1 1 84 ARG H . . 4.800 3.284 1.888 4.786 . 0 0 "[ . 1 . 2]" 1
113 1 17 GLU HA 1 18 ASP H . . 2.940 2.192 2.139 2.267 . 0 0 "[ . 1 . 2]" 1
114 1 19 LEU HG 1 84 ARG H . . 4.240 3.161 2.401 4.392 0.152 12 0 "[ . 1 . 2]" 1
115 1 83 ARG HA 1 84 ARG H . . 3.210 2.170 2.143 2.248 . 0 0 "[ . 1 . 2]" 1
116 1 17 GLU H 1 84 ARG H . . 3.860 3.453 3.038 3.693 . 0 0 "[ . 1 . 2]" 1
117 1 19 LEU H 1 84 ARG H . . 4.200 3.675 3.295 4.111 . 0 0 "[ . 1 . 2]" 1
118 1 84 ARG H 1 112 VAL H . . 5.280 5.048 4.896 5.146 . 0 0 "[ . 1 . 2]" 1
119 1 16 TYR QD 1 18 ASP H . . 4.760 3.960 3.479 4.234 . 0 0 "[ . 1 . 2]" 1
120 1 19 LEU H 1 83 ARG HA . . 3.590 2.207 1.936 2.492 . 0 0 "[ . 1 . 2]" 1
121 1 19 LEU H 1 19 LEU MD2 . . 4.600 3.994 2.681 4.517 . 0 0 "[ . 1 . 2]" 1
122 1 19 LEU H 1 82 VAL MG1 . . 5.120 4.138 3.801 4.501 . 0 0 "[ . 1 . 2]" 1
123 1 19 LEU H 1 19 LEU MD1 . . 4.600 4.091 2.953 4.320 . 0 0 "[ . 1 . 2]" 1
124 1 19 LEU H 1 19 LEU QB . . 3.170 2.283 2.166 2.367 . 0 0 "[ . 1 . 2]" 1
125 1 19 LEU H 1 82 VAL HB . . 4.390 4.166 3.882 4.359 . 0 0 "[ . 1 . 2]" 1
126 1 18 ASP HB2 1 19 LEU H . . 4.810 3.353 2.831 4.300 . 0 0 "[ . 1 . 2]" 1
127 1 18 ASP HB3 1 19 LEU H . . 4.810 3.941 3.029 4.277 . 0 0 "[ . 1 . 2]" 1
128 1 20 THR H 1 20 THR MG . . 4.230 4.000 3.936 4.052 . 0 0 "[ . 1 . 2]" 1
129 1 20 THR H 1 82 VAL MG2 . . 4.590 4.020 3.518 4.465 . 0 0 "[ . 1 . 2]" 1
130 1 20 THR H 1 82 VAL MG1 . . 4.830 3.818 3.276 4.293 . 0 0 "[ . 1 . 2]" 1
131 1 20 THR H 1 82 VAL HB . . 3.550 2.698 1.964 3.286 . 0 0 "[ . 1 . 2]" 1
132 1 19 LEU QB 1 20 THR H . . 3.260 2.476 2.211 2.765 . 0 0 "[ . 1 . 2]" 1
133 1 20 THR H 1 20 THR HB . . 3.640 3.044 2.847 3.217 . 0 0 "[ . 1 . 2]" 1
134 1 18 ASP HA 1 20 THR H . . 4.580 4.305 3.907 4.586 0.006 12 0 "[ . 1 . 2]" 1
135 1 20 THR H 1 83 ARG HA . . 4.850 3.808 3.651 4.045 . 0 0 "[ . 1 . 2]" 1
136 1 19 LEU H 1 20 THR H . . 3.300 2.256 1.954 2.559 . 0 0 "[ . 1 . 2]" 1
137 1 20 THR H 1 82 VAL H . . 3.710 2.823 2.501 3.086 . 0 0 "[ . 1 . 2]" 1
138 1 21 GLU H 1 21 GLU QB . . 3.920 2.312 2.126 2.850 . 0 0 "[ . 1 . 2]" 1
139 1 20 THR MG 1 21 GLU H . . 4.310 2.542 1.952 3.040 . 0 0 "[ . 1 . 2]" 1
140 1 22 GLY H 1 81 GLY HA3 . . 4.190 3.079 2.423 4.001 . 0 0 "[ . 1 . 2]" 1
141 1 22 GLY H 1 81 GLY HA2 . . 4.190 3.341 2.599 3.890 . 0 0 "[ . 1 . 2]" 1
142 1 21 GLU HA 1 22 GLY H . . 3.190 2.221 2.144 2.525 . 0 0 "[ . 1 . 2]" 1
143 1 22 GLY H 1 78 LYS QE . . 5.440 4.866 3.666 5.351 . 0 0 "[ . 1 . 2]" 1
144 1 21 GLU QG 1 22 GLY H . . 4.130 3.339 2.311 4.131 0.001 14 0 "[ . 1 . 2]" 1
145 1 21 GLU QB 1 22 GLY H . . 4.240 3.254 2.149 3.866 . 0 0 "[ . 1 . 2]" 1
146 1 22 GLY H 1 78 LYS H . . 4.430 3.761 2.866 4.424 . 0 0 "[ . 1 . 2]" 1
147 1 23 SER H 1 23 SER HB3 . . 3.830 3.444 2.759 3.853 0.023 9 0 "[ . 1 . 2]" 1
148 1 23 SER H 1 23 SER HB2 . . 3.830 3.123 2.409 3.854 0.024 9 0 "[ . 1 . 2]" 1
149 1 23 SER H 1 79 VAL H . . 5.500 5.284 4.601 5.512 0.012 15 0 "[ . 1 . 2]" 1
150 1 23 SER H 1 24 GLY H . . 3.390 2.602 1.912 3.014 . 0 0 "[ . 1 . 2]" 1
151 1 24 GLY H 1 79 VAL HB . . 4.040 3.634 2.869 3.874 . 0 0 "[ . 1 . 2]" 1
152 1 24 GLY H 1 78 LYS HB3 . . 4.350 2.815 2.248 4.223 . 0 0 "[ . 1 . 2]" 1
153 1 24 GLY H 1 78 LYS HB2 . . 4.350 3.675 3.061 4.349 . 0 0 "[ . 1 . 2]" 1
154 1 24 GLY H 1 79 VAL MG1 . . 4.870 4.718 3.787 4.888 0.018 12 0 "[ . 1 . 2]" 1
155 1 24 GLY H 1 79 VAL H . . 4.430 3.805 3.433 4.141 . 0 0 "[ . 1 . 2]" 1
156 1 25 ALA H 1 25 ALA MB . . 2.800 2.484 2.139 2.689 . 0 0 "[ . 1 . 2]" 1
157 1 25 ALA H 1 79 VAL MG1 . . 4.410 3.823 3.541 4.123 . 0 0 "[ . 1 . 2]" 1
158 1 28 ARG H 1 28 ARG HB2 . . 3.460 2.730 2.540 2.935 . 0 0 "[ . 1 . 2]" 1
159 1 28 ARG H 1 28 ARG QG . . 3.760 2.915 2.554 3.276 . 0 0 "[ . 1 . 2]" 1
160 1 25 ALA H 1 79 VAL HB . . 3.280 2.259 1.948 2.789 . 0 0 "[ . 1 . 2]" 1
161 1 28 ARG H 1 28 ARG HB3 . . 3.950 3.816 3.718 3.932 . 0 0 "[ . 1 . 2]" 1
162 1 24 GLY HA2 1 25 ALA H . . 3.420 3.355 3.113 3.453 0.033 12 0 "[ . 1 . 2]" 1
163 1 27 ALA HA 1 28 ARG H . . 2.750 2.284 2.156 2.355 . 0 0 "[ . 1 . 2]" 1
164 1 24 GLY HA3 1 25 ALA H . . 3.160 2.176 2.136 2.221 . 0 0 "[ . 1 . 2]" 1
165 1 26 GLU H 1 26 GLU QB . . 2.900 2.260 2.227 2.327 . 0 0 "[ . 1 . 2]" 1
166 1 25 ALA MB 1 26 GLU H . . 3.140 2.834 2.561 3.115 . 0 0 "[ . 1 . 2]" 1
167 1 26 GLU H 1 28 ARG QG . . 5.170 5.021 4.511 5.182 0.012 19 0 "[ . 1 . 2]" 1
168 1 26 GLU H 1 78 LYS QE . . 4.920 4.475 2.497 4.928 0.008 6 0 "[ . 1 . 2]" 1
169 1 25 ALA HA 1 26 GLU H . . 2.690 2.241 2.156 2.349 . 0 0 "[ . 1 . 2]" 1
170 1 26 GLU H 1 78 LYS HA . . 4.810 4.257 3.941 4.487 . 0 0 "[ . 1 . 2]" 1
171 1 26 GLU HA 1 27 ALA H . . 2.820 2.192 2.155 2.260 . 0 0 "[ . 1 . 2]" 1
172 1 27 ALA H 1 78 LYS HA . . 3.850 3.174 2.843 3.412 . 0 0 "[ . 1 . 2]" 1
173 1 27 ALA H 1 76 GLY H . . 4.190 3.965 3.703 4.228 0.038 11 0 "[ . 1 . 2]" 1
174 1 27 ALA H 1 28 ARG H . . 4.670 4.625 4.556 4.644 . 0 0 "[ . 1 . 2]" 1
175 1 26 GLU H 1 27 ALA H . . 4.780 4.556 4.449 4.613 . 0 0 "[ . 1 . 2]" 1
176 1 27 ALA H 1 77 MET H . . 4.680 4.477 4.154 4.628 . 0 0 "[ . 1 . 2]" 1
177 1 27 ALA H 1 114 LEU MD1 . . 5.380 4.398 2.987 5.114 . 0 0 "[ . 1 . 2]" 1
178 1 27 ALA H 1 27 ALA MB . . 3.010 2.045 2.024 2.110 . 0 0 "[ . 1 . 2]" 1
179 1 26 GLU QG 1 27 ALA H . . 3.430 2.500 2.222 2.667 . 0 0 "[ . 1 . 2]" 1
180 1 26 GLU QB 1 27 ALA H . . 3.800 3.634 3.508 3.729 . 0 0 "[ . 1 . 2]" 1
181 1 27 ALA H 1 28 ARG QG . . 5.110 4.802 4.561 5.013 . 0 0 "[ . 1 . 2]" 1
182 1 25 ALA MB 1 27 ALA H . . 5.500 5.142 4.860 5.350 . 0 0 "[ . 1 . 2]" 1
183 1 27 ALA H 1 114 LEU HG . . 5.500 4.784 4.061 5.564 0.064 7 0 "[ . 1 . 2]" 1
184 1 27 ALA H 1 114 LEU MD2 . . 5.380 4.316 2.768 5.365 . 0 0 "[ . 1 . 2]" 1
185 1 27 ALA MB 1 28 ARG H . . 3.530 2.780 2.574 3.132 . 0 0 "[ . 1 . 2]" 1
186 1 29 ALA H 1 29 ALA MB . . 2.750 2.085 2.025 2.222 . 0 0 "[ . 1 . 2]" 1
187 1 28 ARG HB2 1 29 ALA H . . 4.310 3.905 3.641 4.032 . 0 0 "[ . 1 . 2]" 1
188 1 28 ARG QG 1 29 ALA H . . 4.730 4.164 3.776 4.542 . 0 0 "[ . 1 . 2]" 1
189 1 28 ARG HB3 1 29 ALA H . . 3.340 2.883 2.479 3.015 . 0 0 "[ . 1 . 2]" 1
190 1 28 ARG HA 1 29 ALA H . . 2.740 2.243 2.203 2.381 . 0 0 "[ . 1 . 2]" 1
191 1 29 ALA HA 1 30 GLY H . . 2.960 2.155 2.145 2.176 . 0 0 "[ . 1 . 2]" 1
192 1 30 GLY H 1 60 VAL HB . . 5.190 4.232 3.482 5.266 0.076 14 0 "[ . 1 . 2]" 1
193 1 30 GLY H 1 61 LEU HB2 . . 5.370 4.240 3.648 4.605 . 0 0 "[ . 1 . 2]" 1
194 1 29 ALA MB 1 30 GLY H . . 3.500 3.161 3.008 3.252 . 0 0 "[ . 1 . 2]" 1
195 1 30 GLY H 1 61 LEU HB3 . . 4.560 2.709 2.294 2.949 . 0 0 "[ . 1 . 2]" 1
196 1 29 ALA H 1 30 GLY H . . 4.830 4.539 4.498 4.587 . 0 0 "[ . 1 . 2]" 1
197 1 29 ALA MB 1 31 GLN H . . 4.650 4.401 4.286 4.580 . 0 0 "[ . 1 . 2]" 1
198 1 28 ARG HB2 1 31 GLN H . . 4.610 4.056 3.741 4.416 . 0 0 "[ . 1 . 2]" 1
199 1 28 ARG H 1 31 GLN H . . 5.070 4.212 3.938 4.463 . 0 0 "[ . 1 . 2]" 1
200 1 29 ALA H 1 31 GLN H . . 5.500 4.594 4.456 4.790 . 0 0 "[ . 1 . 2]" 1
201 1 30 GLY H 1 31 GLN H . . 3.400 2.507 2.297 2.688 . 0 0 "[ . 1 . 2]" 1
202 1 31 GLN H 1 32 THR H . . 4.580 4.533 4.489 4.572 . 0 0 "[ . 1 . 2]" 1
203 1 32 THR H 1 32 THR HB . . 3.160 2.729 2.504 2.855 . 0 0 "[ . 1 . 2]" 1
204 1 32 THR H 1 32 THR MG . . 3.890 3.793 3.769 3.826 . 0 0 "[ . 1 . 2]" 1
205 1 32 THR H 1 33 VAL MG1 . . 4.190 4.124 3.948 4.219 0.029 7 0 "[ . 1 . 2]" 1
206 1 31 GLN HB2 1 32 THR H . . 4.430 3.884 2.790 4.128 . 0 0 "[ . 1 . 2]" 1
207 1 31 GLN HA 1 32 THR H . . 2.870 2.201 2.172 2.323 . 0 0 "[ . 1 . 2]" 1
208 1 33 VAL H 1 33 VAL MG1 . . 3.720 2.771 2.436 3.045 . 0 0 "[ . 1 . 2]" 1
209 1 98 ALA H 1 102 ILE MG . . 4.090 3.296 3.032 3.624 . 0 0 "[ . 1 . 2]" 1
210 1 98 ALA H 1 102 ILE HB . . 3.190 2.730 2.221 3.192 0.002 14 0 "[ . 1 . 2]" 1
211 1 33 VAL H 1 33 VAL MG2 . . 3.100 2.133 2.023 2.397 . 0 0 "[ . 1 . 2]" 1
212 1 98 ALA H 1 98 ALA MB . . 3.520 2.235 2.146 2.381 . 0 0 "[ . 1 . 2]" 1
213 1 32 THR MG 1 33 VAL H . . 3.470 2.930 2.392 3.486 0.016 11 0 "[ . 1 . 2]" 1
214 1 33 VAL H 1 60 VAL HA . . 3.900 3.221 3.095 3.373 . 0 0 "[ . 1 . 2]" 1
215 1 32 THR HA 1 33 VAL H . . 3.010 2.176 2.142 2.274 . 0 0 "[ . 1 . 2]" 1
216 1 98 ALA H 1 102 ILE H . . 3.890 3.720 2.798 3.925 0.035 7 0 "[ . 1 . 2]" 1
217 1 34 SER H 1 115 LEU QB . . 5.500 4.219 3.622 4.597 . 0 0 "[ . 1 . 2]" 1
218 1 34 SER H 1 116 ASP HB2 . . 5.500 5.037 3.936 5.508 0.008 7 0 "[ . 1 . 2]" 1
219 1 34 SER H 1 116 ASP HB3 . . 5.500 4.266 3.146 5.172 . 0 0 "[ . 1 . 2]" 1
220 1 34 SER HA 1 35 VAL H . . 3.010 2.149 2.138 2.199 . 0 0 "[ . 1 . 2]" 1
221 1 34 SER HB3 1 35 VAL H . . 4.640 3.396 3.032 4.126 . 0 0 "[ . 1 . 2]" 1
222 1 36 HIS H 1 113 GLU HG2 . . 5.500 3.894 2.897 4.930 . 0 0 "[ . 1 . 2]" 1
223 1 37 TYR HA 1 38 THR H . . 3.090 2.158 2.154 2.161 . 0 0 "[ . 1 . 2]" 1
224 1 38 THR H 1 38 THR MG . . 4.770 3.890 3.867 3.909 . 0 0 "[ . 1 . 2]" 1
225 1 38 THR H 1 111 GLU HB2 . . 4.780 3.619 3.469 3.825 . 0 0 "[ . 1 . 2]" 1
226 1 38 THR H 1 111 GLU HB3 . . 4.570 2.998 2.877 3.167 . 0 0 "[ . 1 . 2]" 1
227 1 38 THR H 1 38 THR HB . . 3.870 2.971 2.925 3.026 . 0 0 "[ . 1 . 2]" 1
228 1 37 TYR HB2 1 38 THR H . . 3.600 3.228 3.211 3.252 . 0 0 "[ . 1 . 2]" 1
229 1 37 TYR HB3 1 38 THR H . . 4.530 4.149 4.138 4.163 . 0 0 "[ . 1 . 2]" 1
230 1 38 THR H 1 112 VAL HA . . 4.310 4.094 3.978 4.192 . 0 0 "[ . 1 . 2]" 1
231 1 38 THR H 1 110 PHE HA . . 4.820 3.748 3.643 3.865 . 0 0 "[ . 1 . 2]" 1
232 1 37 TYR QD 1 38 THR H . . 4.490 4.234 4.164 4.304 . 0 0 "[ . 1 . 2]" 1
233 1 38 THR H 1 110 PHE QD . . 4.460 2.901 2.675 3.245 . 0 0 "[ . 1 . 2]" 1
234 1 40 TRP H 1 109 VAL MG1 . . 5.500 4.547 4.476 4.722 . 0 0 "[ . 1 . 2]" 1
235 1 40 TRP H 1 109 VAL MG2 . . 5.500 4.843 4.459 4.995 . 0 0 "[ . 1 . 2]" 1
236 1 40 TRP H 1 40 TRP HB2 . . 3.980 2.772 2.746 2.821 . 0 0 "[ . 1 . 2]" 1
237 1 39 GLY HA2 1 40 TRP H . . 3.460 2.232 2.208 2.265 . 0 0 "[ . 1 . 2]" 1
238 1 40 TRP H 1 47 PHE QE . . 4.180 2.803 2.206 2.978 . 0 0 "[ . 1 . 2]" 1
239 1 40 TRP HA 1 41 LEU H . . 3.250 2.183 2.176 2.216 . 0 0 "[ . 1 . 2]" 1
240 1 41 LEU H 1 41 LEU MD1 . . 4.850 3.617 2.898 4.003 . 0 0 "[ . 1 . 2]" 1
241 1 41 LEU H 1 41 LEU MD2 . . 4.850 3.899 1.887 4.400 . 0 0 "[ . 1 . 2]" 1
242 1 41 LEU H 1 41 LEU HG . . 4.690 3.375 2.415 3.963 . 0 0 "[ . 1 . 2]" 1
243 1 40 TRP HB2 1 41 LEU H . . 4.480 4.281 4.206 4.299 . 0 0 "[ . 1 . 2]" 1
244 1 40 TRP HB3 1 41 LEU H . . 3.680 3.176 3.035 3.209 . 0 0 "[ . 1 . 2]" 1
245 1 41 LEU H 1 47 PHE QD . . 4.060 3.013 2.836 3.329 . 0 0 "[ . 1 . 2]" 1
246 1 41 LEU H 1 47 PHE H . . 4.700 3.980 3.764 4.161 . 0 0 "[ . 1 . 2]" 1
247 1 41 LEU HA 1 42 THR H . . 3.320 2.550 2.484 2.658 . 0 0 "[ . 1 . 2]" 1
248 1 41 LEU HB3 1 42 THR H . . 3.830 2.206 1.907 2.393 . 0 0 "[ . 1 . 2]" 1
249 1 41 LEU HB2 1 42 THR H . . 3.830 3.649 3.197 3.821 . 0 0 "[ . 1 . 2]" 1
250 1 42 THR H 1 42 THR MG . . 3.300 2.030 1.911 2.209 . 0 0 "[ . 1 . 2]" 1
251 1 41 LEU MD2 1 42 THR H . . 4.770 2.586 1.930 4.512 . 0 0 "[ . 1 . 2]" 1
252 1 41 LEU MD1 1 42 THR H . . 4.770 4.004 3.264 4.526 . 0 0 "[ . 1 . 2]" 1
253 1 42 THR H 1 43 ASP H . . 3.870 2.636 2.492 2.719 . 0 0 "[ . 1 . 2]" 1
254 1 43 ASP H 1 43 ASP HB3 . . 4.050 3.311 2.497 3.664 . 0 0 "[ . 1 . 2]" 1
255 1 41 LEU MD2 1 43 ASP H . . 5.080 3.854 3.514 4.651 . 0 0 "[ . 1 . 2]" 1
256 1 42 THR MG 1 43 ASP H . . 4.520 3.872 3.763 3.988 . 0 0 "[ . 1 . 2]" 1
257 1 41 LEU HB2 1 43 ASP H . . 4.050 3.331 2.608 3.648 . 0 0 "[ . 1 . 2]" 1
258 1 41 LEU HB3 1 43 ASP H . . 4.050 2.344 2.162 2.692 . 0 0 "[ . 1 . 2]" 1
259 1 43 ASP H 1 43 ASP HB2 . . 4.050 2.670 2.295 3.730 . 0 0 "[ . 1 . 2]" 1
260 1 43 ASP H 1 44 GLY H . . 3.310 2.233 2.022 2.415 . 0 0 "[ . 1 . 2]" 1
261 1 76 GLY H 1 77 MET H . . 3.490 2.061 1.863 2.324 . 0 0 "[ . 1 . 2]" 1
262 1 42 THR HA 1 44 GLY H . . 4.380 4.088 3.934 4.153 . 0 0 "[ . 1 . 2]" 1
263 1 45 GLN H 1 45 GLN HB3 . . 3.620 2.779 2.367 3.587 . 0 0 "[ . 1 . 2]" 1
264 1 45 GLN H 1 45 GLN HB2 . . 3.620 2.486 2.142 2.691 . 0 0 "[ . 1 . 2]" 1
265 1 43 ASP H 1 45 GLN H . . 4.110 3.463 3.264 3.713 . 0 0 "[ . 1 . 2]" 1
266 1 44 GLY H 1 45 GLN H . . 3.300 2.130 2.039 2.388 . 0 0 "[ . 1 . 2]" 1
267 1 41 LEU H 1 45 GLN H . . 4.590 3.178 2.922 3.789 . 0 0 "[ . 1 . 2]" 1
268 1 98 ALA H 1 99 GLY H . . 5.010 3.209 2.537 4.480 . 0 0 "[ . 1 . 2]" 1
269 1 45 GLN HA 1 46 LYS H . . 2.820 2.185 2.144 2.275 . 0 0 "[ . 1 . 2]" 1
270 1 46 LYS H 1 46 LYS QG . . 4.130 3.960 3.855 4.104 . 0 0 "[ . 1 . 2]" 1
271 1 46 LYS H 1 46 LYS HB3 . . 3.600 2.781 2.467 2.944 . 0 0 "[ . 1 . 2]" 1
272 1 46 LYS H 1 46 LYS HB2 . . 3.600 2.420 2.239 2.932 . 0 0 "[ . 1 . 2]" 1
273 1 45 GLN HG3 1 46 LYS H . . 4.670 3.430 2.561 4.681 0.011 12 0 "[ . 1 . 2]" 1
274 1 45 GLN HB3 1 46 LYS H . . 4.240 3.829 2.942 4.246 0.006 8 0 "[ . 1 . 2]" 1
275 1 45 GLN HG2 1 46 LYS H . . 4.670 3.963 2.862 4.677 0.007 16 0 "[ . 1 . 2]" 1
276 1 45 GLN HB2 1 46 LYS H . . 4.240 4.185 3.842 4.262 0.022 19 0 "[ . 1 . 2]" 1
277 1 40 TRP HD1 1 46 LYS H . . 4.150 3.206 3.044 3.415 . 0 0 "[ . 1 . 2]" 1
278 1 45 GLN H 1 46 LYS H . . 4.680 4.560 4.515 4.635 . 0 0 "[ . 1 . 2]" 1
279 1 46 LYS HA 1 47 PHE H . . 3.220 2.150 2.140 2.163 . 0 0 "[ . 1 . 2]" 1
280 1 46 LYS QG 1 47 PHE H . . 3.740 3.201 2.798 3.393 . 0 0 "[ . 1 . 2]" 1
281 1 40 TRP HA 1 47 PHE H . . 3.830 3.121 2.844 3.263 . 0 0 "[ . 1 . 2]" 1
282 1 47 PHE H 1 47 PHE QD . . 3.820 2.770 2.487 2.905 . 0 0 "[ . 1 . 2]" 1
283 1 46 LYS QG 1 48 ASP H . . 3.430 2.807 2.184 3.127 . 0 0 "[ . 1 . 2]" 1
284 1 38 THR MG 1 48 ASP H . . 5.240 4.905 4.738 5.072 . 0 0 "[ . 1 . 2]" 1
285 1 46 LYS HA 1 48 ASP H . . 4.110 3.455 3.293 3.564 . 0 0 "[ . 1 . 2]" 1
286 1 40 TRP HA 1 48 ASP H . . 4.810 4.558 4.351 4.703 . 0 0 "[ . 1 . 2]" 1
287 1 47 PHE QD 1 48 ASP H . . 4.040 3.076 2.873 3.495 . 0 0 "[ . 1 . 2]" 1
288 1 47 PHE H 1 48 ASP H . . 3.070 2.114 1.995 2.261 . 0 0 "[ . 1 . 2]" 1
289 1 39 GLY H 1 48 ASP H . . 3.980 3.705 3.270 4.016 0.036 7 0 "[ . 1 . 2]" 1
290 1 49 SER H 1 49 SER HB2 . . 4.110 3.540 2.523 3.985 . 0 0 "[ . 1 . 2]" 1
291 1 48 ASP HB2 1 49 SER H . . 4.730 4.275 3.324 4.404 . 0 0 "[ . 1 . 2]" 1
292 1 48 ASP HB3 1 49 SER H . . 4.730 3.633 3.126 4.377 . 0 0 "[ . 1 . 2]" 1
293 1 49 SER H 1 49 SER HB3 . . 4.110 3.466 2.495 3.759 . 0 0 "[ . 1 . 2]" 1
294 1 48 ASP H 1 49 SER H . . 4.650 4.230 4.094 4.349 . 0 0 "[ . 1 . 2]" 1
295 1 38 THR HA 1 49 SER H . . 5.400 5.256 4.990 5.428 0.028 11 0 "[ . 1 . 2]" 1
296 1 38 THR MG 1 49 SER H . . 5.150 5.105 4.926 5.164 0.014 12 0 "[ . 1 . 2]" 1
297 1 38 THR HA 1 50 SER H . . 4.190 3.553 2.834 4.006 . 0 0 "[ . 1 . 2]" 1
298 1 49 SER HA 1 50 SER H . . 3.210 2.168 2.138 2.243 . 0 0 "[ . 1 . 2]" 1
299 1 49 SER HB3 1 50 SER H . . 4.700 4.204 3.480 4.538 . 0 0 "[ . 1 . 2]" 1
300 1 49 SER HB2 1 50 SER H . . 4.700 3.994 3.591 4.654 . 0 0 "[ . 1 . 2]" 1
301 1 37 TYR QD 1 50 SER H . . 4.550 4.026 3.610 4.322 . 0 0 "[ . 1 . 2]" 1
302 1 50 SER H 1 51 LYS H . . 3.550 2.618 2.529 2.779 . 0 0 "[ . 1 . 2]" 1
303 1 37 TYR H 1 50 SER H . . 4.170 4.034 3.763 4.182 0.012 14 0 "[ . 1 . 2]" 1
304 1 51 LYS H 1 51 LYS HB3 . . 4.060 2.495 2.249 2.668 . 0 0 "[ . 1 . 2]" 1
305 1 51 LYS H 1 51 LYS HB2 . . 4.060 3.582 3.531 3.609 . 0 0 "[ . 1 . 2]" 1
306 1 51 LYS H 1 51 LYS HG3 . . 4.260 2.518 1.959 3.967 . 0 0 "[ . 1 . 2]" 1
307 1 51 LYS H 1 51 LYS HG2 . . 4.260 3.323 3.143 3.781 . 0 0 "[ . 1 . 2]" 1
308 1 52 ASP H 1 52 ASP HB3 . . 3.890 2.607 2.389 3.571 . 0 0 "[ . 1 . 2]" 1
309 1 52 ASP H 1 52 ASP HB2 . . 3.890 2.526 2.318 2.726 . 0 0 "[ . 1 . 2]" 1
310 1 51 LYS HB2 1 52 ASP H . . 4.280 4.047 3.919 4.327 0.047 8 0 "[ . 1 . 2]" 1
311 1 49 SER HB3 1 52 ASP H . . 4.550 3.832 2.324 4.560 0.010 20 0 "[ . 1 . 2]" 1
312 1 49 SER HB2 1 52 ASP H . . 4.550 3.028 2.001 4.509 . 0 0 "[ . 1 . 2]" 1
313 1 52 ASP H 1 53 ARG H . . 3.870 2.564 2.301 2.722 . 0 0 "[ . 1 . 2]" 1
314 1 51 LYS H 1 52 ASP H . . 3.650 2.618 2.423 2.724 . 0 0 "[ . 1 . 2]" 1
315 1 53 ARG H 1 53 ARG QG . . 4.300 3.266 2.149 4.237 . 0 0 "[ . 1 . 2]" 1
316 1 53 ARG QG 1 54 ASN H . . 4.930 4.261 3.268 4.899 . 0 0 "[ . 1 . 2]" 1
317 1 51 LYS HA 1 54 ASN H . . 4.070 3.102 2.845 3.539 . 0 0 "[ . 1 . 2]" 1
318 1 55 ASP H 1 55 ASP HB3 . . 3.790 2.882 2.504 3.691 . 0 0 "[ . 1 . 2]" 1
319 1 55 ASP H 1 55 ASP HB2 . . 3.790 2.784 2.384 3.096 . 0 0 "[ . 1 . 2]" 1
320 1 53 ARG HB3 1 55 ASP H . . 4.940 4.043 2.915 4.948 0.008 9 0 "[ . 1 . 2]" 1
321 1 53 ARG QG 1 55 ASP H . . 4.920 4.300 2.167 4.933 0.013 17 0 "[ . 1 . 2]" 1
322 1 55 ASP H 1 56 PRO HD2 . . 5.000 4.161 4.090 4.270 . 0 0 "[ . 1 . 2]" 1
323 1 55 ASP H 1 56 PRO HD3 . . 5.000 3.481 3.378 3.643 . 0 0 "[ . 1 . 2]" 1
324 1 36 HIS HE1 1 55 ASP H . . 3.630 2.759 2.333 3.289 . 0 0 "[ . 1 . 2]" 1
325 1 56 PRO HA 1 57 PHE H . . 3.220 2.172 2.150 2.259 . 0 0 "[ . 1 . 2]" 1
326 1 57 PHE H 1 57 PHE HB2 . . 3.620 2.336 2.236 2.475 . 0 0 "[ . 1 . 2]" 1
327 1 57 PHE H 1 57 PHE HB3 . . 3.520 2.818 2.777 2.874 . 0 0 "[ . 1 . 2]" 1
328 1 56 PRO HB3 1 57 PHE H . . 4.150 3.977 3.672 4.157 0.007 17 0 "[ . 1 . 2]" 1
329 1 56 PRO HB2 1 57 PHE H . . 4.150 3.492 3.013 3.758 . 0 0 "[ . 1 . 2]" 1
330 1 35 VAL H 1 57 PHE H . . 3.920 3.827 3.669 3.932 0.012 11 0 "[ . 1 . 2]" 1
331 1 57 PHE H 1 58 ALA H . . 4.680 4.299 4.243 4.394 . 0 0 "[ . 1 . 2]" 1
332 1 58 ALA H 1 59 PHE H . . 4.750 4.435 4.331 4.477 . 0 0 "[ . 1 . 2]" 1
333 1 57 PHE QD 1 58 ALA H . . 4.370 3.569 3.362 3.731 . 0 0 "[ . 1 . 2]" 1
334 1 57 PHE QE 1 58 ALA H . . 5.490 5.020 4.906 5.159 . 0 0 "[ . 1 . 2]" 1
335 1 57 PHE HA 1 58 ALA H . . 2.890 2.171 2.149 2.199 . 0 0 "[ . 1 . 2]" 1
336 1 57 PHE HB2 1 58 ALA H . . 5.500 4.577 4.546 4.607 . 0 0 "[ . 1 . 2]" 1
337 1 57 PHE HB3 1 58 ALA H . . 4.910 4.245 4.175 4.296 . 0 0 "[ . 1 . 2]" 1
338 1 58 ALA H 1 58 ALA MB . . 3.080 2.384 2.205 2.427 . 0 0 "[ . 1 . 2]" 1
339 1 32 THR MG 1 59 PHE H . . 3.650 3.157 2.843 3.413 . 0 0 "[ . 1 . 2]" 1
340 1 33 VAL MG2 1 59 PHE H . . 3.660 3.464 3.298 3.622 . 0 0 "[ . 1 . 2]" 1
341 1 32 THR HA 1 59 PHE H . . 4.680 4.236 3.933 4.577 . 0 0 "[ . 1 . 2]" 1
342 1 34 SER HA 1 59 PHE H . . 4.010 3.545 3.452 3.597 . 0 0 "[ . 1 . 2]" 1
343 1 58 ALA HA 1 59 PHE H . . 2.880 2.158 2.142 2.176 . 0 0 "[ . 1 . 2]" 1
344 1 59 PHE H 1 59 PHE QD . . 3.640 2.552 2.358 2.747 . 0 0 "[ . 1 . 2]" 1
345 1 35 VAL H 1 59 PHE H . . 4.960 4.615 4.431 4.835 . 0 0 "[ . 1 . 2]" 1
346 1 60 VAL H 1 60 VAL HB . . 3.830 3.335 2.472 3.687 . 0 0 "[ . 1 . 2]" 1
347 1 59 PHE HB3 1 60 VAL H . . 4.060 3.812 3.681 3.990 . 0 0 "[ . 1 . 2]" 1
348 1 59 PHE HB2 1 60 VAL H . . 4.060 2.391 2.190 2.671 . 0 0 "[ . 1 . 2]" 1
349 1 60 VAL H 1 60 VAL MG2 . . 3.990 2.215 1.911 3.776 . 0 0 "[ . 1 . 2]" 1
350 1 60 VAL H 1 60 VAL MG1 . . 3.990 2.723 1.950 3.791 . 0 0 "[ . 1 . 2]" 1
351 1 59 PHE HA 1 60 VAL H . . 3.100 2.462 2.335 2.568 . 0 0 "[ . 1 . 2]" 1
352 1 59 PHE QD 1 60 VAL H . . 3.930 3.108 2.846 3.401 . 0 0 "[ . 1 . 2]" 1
353 1 59 PHE H 1 60 VAL H . . 4.870 4.369 4.332 4.392 . 0 0 "[ . 1 . 2]" 1
354 1 60 VAL H 1 63 GLY H . . 5.370 4.840 4.513 5.190 . 0 0 "[ . 1 . 2]" 1
355 1 60 VAL H 1 61 LEU H . . 4.630 4.499 4.454 4.530 . 0 0 "[ . 1 . 2]" 1
356 1 61 LEU HB2 1 62 GLY H . . 4.760 4.451 4.336 4.636 . 0 0 "[ . 1 . 2]" 1
357 1 59 PHE QE 1 62 GLY H . . 4.380 3.002 2.619 3.360 . 0 0 "[ . 1 . 2]" 1
358 1 60 VAL HB 1 63 GLY H . . 5.270 4.776 3.942 5.336 0.066 7 0 "[ . 1 . 2]" 1
359 1 62 GLY HA3 1 63 GLY H . . 3.440 2.988 2.656 3.293 . 0 0 "[ . 1 . 2]" 1
360 1 63 GLY H 1 64 GLY QA . . 5.040 4.520 3.902 4.946 . 0 0 "[ . 1 . 2]" 1
361 1 62 GLY H 1 63 GLY H . . 3.440 2.168 1.887 2.739 . 0 0 "[ . 1 . 2]" 1
362 1 63 GLY H 1 64 GLY H . . 4.130 3.901 3.141 4.145 0.015 5 0 "[ . 1 . 2]" 1
363 1 30 GLY H 1 63 GLY H . . 5.500 5.480 4.992 5.604 0.104 6 0 "[ . 1 . 2]" 1
364 1 64 GLY H 1 66 VAL MG2 . . 4.950 3.696 2.752 4.899 . 0 0 "[ . 1 . 2]" 1
365 1 64 GLY H 1 65 MET H . . 3.500 2.396 1.899 3.200 . 0 0 "[ . 1 . 2]" 1
366 1 65 MET H 1 66 VAL MG2 . . 4.100 3.525 3.137 4.116 0.016 16 0 "[ . 1 . 2]" 1
367 1 65 MET H 1 66 VAL MG1 . . 4.730 3.074 2.526 4.196 . 0 0 "[ . 1 . 2]" 1
368 1 65 MET H 1 65 MET QG . . 3.900 2.896 1.938 3.852 . 0 0 "[ . 1 . 2]" 1
369 1 63 GLY H 1 65 MET H . . 5.500 5.316 4.931 5.541 0.041 6 0 "[ . 1 . 2]" 1
370 1 64 GLY QA 1 66 VAL H . . 4.670 3.932 3.073 4.668 . 0 0 "[ . 1 . 2]" 1
371 1 66 VAL H 1 66 VAL MG1 . . 3.720 2.821 2.082 3.017 . 0 0 "[ . 1 . 2]" 1
372 1 66 VAL H 1 66 VAL MG2 . . 3.010 2.250 2.099 2.370 . 0 0 "[ . 1 . 2]" 1
373 1 65 MET QG 1 66 VAL H . . 4.670 4.354 3.539 4.666 . 0 0 "[ . 1 . 2]" 1
374 1 65 MET QB 1 66 VAL H . . 4.180 3.719 2.529 4.015 . 0 0 "[ . 1 . 2]" 1
375 1 59 PHE QE 1 66 VAL H . . 5.500 5.383 4.576 5.556 0.056 11 0 "[ . 1 . 2]" 1
376 1 65 MET H 1 66 VAL H . . 3.210 2.639 2.168 2.890 . 0 0 "[ . 1 . 2]" 1
377 1 66 VAL HA 1 67 ILE H . . 3.150 2.680 2.638 2.698 . 0 0 "[ . 1 . 2]" 1
378 1 66 VAL HB 1 67 ILE H . . 3.060 1.949 1.919 2.018 . 0 0 "[ . 1 . 2]" 1
379 1 67 ILE H 1 67 ILE QG . . 3.610 2.049 2.028 2.070 . 0 0 "[ . 1 . 2]" 1
380 1 66 VAL MG2 1 67 ILE H . . 3.110 2.676 2.544 2.759 . 0 0 "[ . 1 . 2]" 1
381 1 67 ILE H 1 67 ILE MG . . 3.400 3.132 3.028 3.215 . 0 0 "[ . 1 . 2]" 1
382 1 66 VAL H 1 67 ILE H . . 4.890 4.368 4.341 4.482 . 0 0 "[ . 1 . 2]" 1
383 1 67 ILE H 1 70 TRP HE3 . . 4.620 4.303 4.019 4.444 . 0 0 "[ . 1 . 2]" 1
384 1 67 ILE HA 1 68 LYS H . . 2.980 2.424 2.382 2.446 . 0 0 "[ . 1 . 2]" 1
385 1 67 ILE QG 1 68 LYS H . . 4.470 3.851 3.813 3.909 . 0 0 "[ . 1 . 2]" 1
386 1 67 ILE MD 1 68 LYS H . . 4.800 4.753 4.729 4.799 . 0 0 "[ . 1 . 2]" 1
387 1 67 ILE MG 1 68 LYS H . . 3.960 3.257 3.230 3.309 . 0 0 "[ . 1 . 2]" 1
388 1 67 ILE HB 1 68 LYS H . . 3.560 2.347 2.293 2.449 . 0 0 "[ . 1 . 2]" 1
389 1 68 LYS H 1 68 LYS HB3 . . 3.780 3.451 2.418 3.599 . 0 0 "[ . 1 . 2]" 1
390 1 68 LYS H 1 68 LYS HB2 . . 3.780 2.472 2.073 3.566 . 0 0 "[ . 1 . 2]" 1
391 1 68 LYS H 1 68 LYS QG . . 3.870 2.729 1.815 3.995 0.125 2 0 "[ . 1 . 2]" 1
392 1 68 LYS H 1 69 GLY H . . 4.030 2.959 2.896 3.006 . 0 0 "[ . 1 . 2]" 1
393 1 69 GLY H 1 87 ILE MD . . 4.410 3.774 3.174 4.175 . 0 0 "[ . 1 . 2]" 1
394 1 67 ILE QG 1 69 GLY H . . 4.450 3.241 3.098 3.343 . 0 0 "[ . 1 . 2]" 1
395 1 67 ILE MD 1 69 GLY H . . 4.920 4.844 4.704 4.941 0.021 18 0 "[ . 1 . 2]" 1
396 1 67 ILE HB 1 69 GLY H . . 4.370 2.853 2.706 2.963 . 0 0 "[ . 1 . 2]" 1
397 1 68 LYS HB3 1 69 GLY H . . 4.190 3.243 2.506 3.961 . 0 0 "[ . 1 . 2]" 1
398 1 68 LYS HB2 1 69 GLY H . . 4.190 2.682 2.297 3.898 . 0 0 "[ . 1 . 2]" 1
399 1 14 LEU HG 1 69 GLY H . . 4.730 4.404 2.945 5.013 0.283 14 0 "[ . 1 . 2]" 1
400 1 68 LYS QG 1 69 GLY H . . 5.190 3.998 1.837 4.498 . 0 0 "[ . 1 . 2]" 1
401 1 67 ILE HA 1 69 GLY H . . 4.910 4.588 4.435 4.707 . 0 0 "[ . 1 . 2]" 1
402 1 66 VAL MG2 1 70 TRP H . . 4.200 3.994 3.717 4.211 0.011 6 0 "[ . 1 . 2]" 1
403 1 67 ILE QG 1 70 TRP H . . 3.490 2.175 2.105 2.222 . 0 0 "[ . 1 . 2]" 1
404 1 66 VAL HB 1 70 TRP H . . 4.890 4.250 4.143 4.334 . 0 0 "[ . 1 . 2]" 1
405 1 67 ILE HB 1 70 TRP H . . 4.630 3.753 3.661 3.832 . 0 0 "[ . 1 . 2]" 1
406 1 70 TRP H 1 70 TRP HB2 . . 3.400 2.301 2.280 2.336 . 0 0 "[ . 1 . 2]" 1
407 1 70 TRP H 1 70 TRP HB3 . . 3.660 3.555 3.546 3.566 . 0 0 "[ . 1 . 2]" 1
408 1 70 TRP H 1 70 TRP HD1 . . 4.560 2.348 2.256 2.451 . 0 0 "[ . 1 . 2]" 1
409 1 69 GLY H 1 70 TRP H . . 4.020 2.844 2.784 2.894 . 0 0 "[ . 1 . 2]" 1
410 1 71 ASP H 1 71 ASP HB2 . . 3.730 2.572 2.190 2.853 . 0 0 "[ . 1 . 2]" 1
411 1 66 VAL MG2 1 71 ASP H . . 3.490 2.724 2.371 3.290 . 0 0 "[ . 1 . 2]" 1
412 1 70 TRP HB2 1 71 ASP H . . 3.690 2.539 2.454 2.806 . 0 0 "[ . 1 . 2]" 1
413 1 70 TRP HB3 1 71 ASP H . . 3.920 3.270 3.158 3.618 . 0 0 "[ . 1 . 2]" 1
414 1 68 LYS HA 1 71 ASP H . . 4.000 3.569 3.441 3.651 . 0 0 "[ . 1 . 2]" 1
415 1 70 TRP H 1 71 ASP H . . 3.220 2.716 2.597 2.781 . 0 0 "[ . 1 . 2]" 1
416 1 69 GLY HA2 1 72 GLU H . . 4.520 3.792 3.636 3.902 . 0 0 "[ . 1 . 2]" 1
417 1 69 GLY HA3 1 72 GLU H . . 5.040 4.920 4.806 5.032 . 0 0 "[ . 1 . 2]" 1
418 1 72 GLU H 1 73 GLY QA . . 5.350 4.610 4.530 4.680 . 0 0 "[ . 1 . 2]" 1
419 1 71 ASP HB2 1 72 GLU H . . 4.180 3.477 2.406 3.963 . 0 0 "[ . 1 . 2]" 1
420 1 72 GLU H 1 72 GLU HG3 . . 5.010 4.478 4.259 4.593 . 0 0 "[ . 1 . 2]" 1
421 1 72 GLU H 1 72 GLU HB2 . . 3.270 2.270 2.062 2.455 . 0 0 "[ . 1 . 2]" 1
422 1 14 LEU MD2 1 72 GLU H . . 5.500 4.930 4.578 5.508 0.008 9 0 "[ . 1 . 2]" 1
423 1 14 LEU MD1 1 72 GLU H . . 5.500 5.440 5.240 5.554 0.054 14 0 "[ . 1 . 2]" 1
424 1 72 GLU H 1 85 LEU MD2 . . 5.500 5.313 4.707 5.555 0.055 5 0 "[ . 1 . 2]" 1
425 1 71 ASP H 1 72 GLU H . . 3.430 2.775 2.605 2.833 . 0 0 "[ . 1 . 2]" 1
426 1 70 TRP H 1 72 GLU H . . 4.400 4.186 4.041 4.333 . 0 0 "[ . 1 . 2]" 1
427 1 72 GLU H 1 73 GLY H . . 3.400 2.746 2.629 2.864 . 0 0 "[ . 1 . 2]" 1
428 1 72 GLU HB3 1 73 GLY H . . 4.150 2.635 2.441 2.919 . 0 0 "[ . 1 . 2]" 1
429 1 72 GLU HG2 1 73 GLY H . . 5.430 4.821 4.278 5.164 . 0 0 "[ . 1 . 2]" 1
430 1 72 GLU HB2 1 73 GLY H . . 4.150 3.633 3.185 3.908 . 0 0 "[ . 1 . 2]" 1
431 1 73 GLY H 1 85 LEU MD2 . . 4.880 4.469 3.225 4.916 0.036 4 0 "[ . 1 . 2]" 1
432 1 73 GLY H 1 85 LEU MD1 . . 4.880 3.757 3.259 4.060 . 0 0 "[ . 1 . 2]" 1
433 1 70 TRP HA 1 73 GLY H . . 4.200 3.604 3.439 3.757 . 0 0 "[ . 1 . 2]" 1
434 1 69 GLY HA2 1 73 GLY H . . 4.730 4.126 3.997 4.260 . 0 0 "[ . 1 . 2]" 1
435 1 72 GLU HG3 1 73 GLY H . . 5.430 4.394 3.836 5.129 . 0 0 "[ . 1 . 2]" 1
436 1 70 TRP HA 1 74 VAL H . . 4.210 4.008 3.737 4.164 . 0 0 "[ . 1 . 2]" 1
437 1 72 GLU HA 1 74 VAL H . . 5.120 4.660 4.344 5.098 . 0 0 "[ . 1 . 2]" 1
438 1 74 VAL H 1 74 VAL HB . . 3.050 2.532 2.428 2.642 . 0 0 "[ . 1 . 2]" 1
439 1 73 GLY H 1 74 VAL H . . 3.690 2.641 2.476 2.866 . 0 0 "[ . 1 . 2]" 1
440 1 27 ALA MB 1 75 GLN H . . 4.760 4.618 4.393 4.749 . 0 0 "[ . 1 . 2]" 1
441 1 74 VAL MG2 1 75 GLN H . . 4.390 3.886 3.722 3.994 . 0 0 "[ . 1 . 2]" 1
442 1 61 LEU MD1 1 75 GLN H . . 4.650 2.928 2.351 4.163 . 0 0 "[ . 1 . 2]" 1
443 1 74 VAL HB 1 75 GLN H . . 4.120 3.041 2.434 4.152 0.032 12 0 "[ . 1 . 2]" 1
444 1 75 GLN H 1 75 GLN HG2 . . 3.520 2.590 1.940 3.543 0.023 12 0 "[ . 1 . 2]" 1
445 1 75 GLN H 1 75 GLN HG3 . . 3.520 3.037 2.407 3.532 0.012 9 0 "[ . 1 . 2]" 1
446 1 74 VAL H 1 75 GLN H . . 3.110 2.633 2.497 2.757 . 0 0 "[ . 1 . 2]" 1
447 1 27 ALA MB 1 76 GLY H . . 3.720 3.238 2.986 3.664 . 0 0 "[ . 1 . 2]" 1
448 1 26 GLU QG 1 76 GLY H . . 3.690 3.270 2.934 3.461 . 0 0 "[ . 1 . 2]" 1
449 1 26 GLU QB 1 76 GLY H . . 5.500 5.390 5.042 5.511 0.011 11 0 "[ . 1 . 2]" 1
450 1 75 GLN HA 1 76 GLY H . . 3.030 2.652 2.562 2.960 . 0 0 "[ . 1 . 2]" 1
451 1 75 GLN H 1 76 GLY H . . 4.710 3.437 2.889 3.605 . 0 0 "[ . 1 . 2]" 1
452 1 77 MET H 1 77 MET QB . . 3.200 2.263 2.066 2.576 . 0 0 "[ . 1 . 2]" 1
453 1 41 LEU MD1 1 43 ASP H . . 5.080 4.172 3.881 4.668 . 0 0 "[ . 1 . 2]" 1
454 1 74 VAL HA 1 77 MET H . . 4.030 3.421 3.273 3.698 . 0 0 "[ . 1 . 2]" 1
455 1 29 ALA HA 1 31 GLN H . . 4.130 3.424 3.370 3.616 . 0 0 "[ . 1 . 2]" 1
456 1 78 LYS H 1 78 LYS HB2 . . 4.190 2.551 2.354 2.834 . 0 0 "[ . 1 . 2]" 1
457 1 78 LYS H 1 78 LYS HB3 . . 4.190 3.697 3.535 3.836 . 0 0 "[ . 1 . 2]" 1
458 1 77 MET QB 1 78 LYS H . . 3.720 2.732 2.466 3.548 . 0 0 "[ . 1 . 2]" 1
459 1 77 MET HA 1 78 LYS H . . 3.250 2.310 2.235 2.393 . 0 0 "[ . 1 . 2]" 1
460 1 79 VAL H 1 79 VAL MG1 . . 3.840 3.764 3.758 3.766 . 0 0 "[ . 1 . 2]" 1
461 1 79 VAL HA 1 80 GLY H . . 2.980 2.150 2.144 2.156 . 0 0 "[ . 1 . 2]" 1
462 1 80 GLY H 1 114 LEU HB3 . . 4.180 2.258 1.936 3.180 . 0 0 "[ . 1 . 2]" 1
463 1 79 VAL HB 1 80 GLY H . . 4.650 4.229 4.186 4.296 . 0 0 "[ . 1 . 2]" 1
464 1 80 GLY H 1 114 LEU HG . . 4.840 4.286 3.063 4.856 0.016 7 0 "[ . 1 . 2]" 1
465 1 79 VAL MG2 1 80 GLY H . . 4.140 4.022 3.963 4.083 . 0 0 "[ . 1 . 2]" 1
466 1 79 VAL MG1 1 80 GLY H . . 3.390 2.455 2.376 2.573 . 0 0 "[ . 1 . 2]" 1
467 1 79 VAL MG1 1 81 GLY H . . 4.410 4.347 4.303 4.413 0.003 19 0 "[ . 1 . 2]" 1
468 1 81 GLY H 1 114 LEU HB2 . . 4.640 2.834 2.147 4.355 . 0 0 "[ . 1 . 2]" 1
469 1 81 GLY H 1 114 LEU HB3 . . 4.150 2.864 2.385 3.527 . 0 0 "[ . 1 . 2]" 1
470 1 22 GLY HA3 1 81 GLY H . . 4.240 3.108 2.584 3.684 . 0 0 "[ . 1 . 2]" 1
471 1 22 GLY HA2 1 81 GLY H . . 4.240 3.481 2.930 4.158 . 0 0 "[ . 1 . 2]" 1
472 1 79 VAL HA 1 81 GLY H . . 3.860 3.390 3.359 3.441 . 0 0 "[ . 1 . 2]" 1
473 1 80 GLY H 1 81 GLY H . . 3.390 2.516 2.431 2.540 . 0 0 "[ . 1 . 2]" 1
474 1 81 GLY H 1 82 VAL H . . 4.630 4.592 4.571 4.623 . 0 0 "[ . 1 . 2]" 1
475 1 78 LYS H 1 81 GLY H . . 4.520 3.981 3.777 4.251 . 0 0 "[ . 1 . 2]" 1
476 1 20 THR HB 1 82 VAL H . . 3.400 2.561 2.079 3.253 . 0 0 "[ . 1 . 2]" 1
477 1 20 THR MG 1 82 VAL H . . 4.200 3.900 3.471 4.135 . 0 0 "[ . 1 . 2]" 1
478 1 82 VAL H 1 82 VAL MG2 . . 3.580 2.600 2.384 2.831 . 0 0 "[ . 1 . 2]" 1
479 1 82 VAL H 1 82 VAL HB . . 3.770 2.703 2.609 2.821 . 0 0 "[ . 1 . 2]" 1
480 1 82 VAL HA 1 83 ARG H . . 3.160 2.192 2.145 2.205 . 0 0 "[ . 1 . 2]" 1
481 1 83 ARG H 1 83 ARG HB3 . . 4.200 2.887 2.719 3.041 . 0 0 "[ . 1 . 2]" 1
482 1 83 ARG H 1 83 ARG HB2 . . 4.200 3.233 3.025 3.491 . 0 0 "[ . 1 . 2]" 1
483 1 82 VAL MG1 1 83 ARG H . . 3.470 2.320 2.091 2.630 . 0 0 "[ . 1 . 2]" 1
484 1 84 ARG HA 1 85 LEU H . . 3.120 2.152 2.141 2.176 . 0 0 "[ . 1 . 2]" 1
485 1 85 LEU H 1 111 GLU HA . . 4.760 2.973 2.740 3.389 . 0 0 "[ . 1 . 2]" 1
486 1 84 ARG QG 1 85 LEU H . . 3.470 3.053 2.535 3.486 0.016 19 0 "[ . 1 . 2]" 1
487 1 85 LEU H 1 85 LEU MD2 . . 4.480 4.350 4.046 4.481 0.001 15 0 "[ . 1 . 2]" 1
488 1 85 LEU H 1 85 LEU MD1 . . 4.480 3.997 3.295 4.317 . 0 0 "[ . 1 . 2]" 1
489 1 85 LEU H 1 112 VAL H . . 4.730 3.509 3.052 3.937 . 0 0 "[ . 1 . 2]" 1
490 1 86 THR H 1 87 ILE MD . . 5.500 5.233 5.057 5.529 0.029 19 0 "[ . 1 . 2]" 1
491 1 85 LEU HB3 1 86 THR H . . 4.550 3.654 3.182 4.282 . 0 0 "[ . 1 . 2]" 1
492 1 85 LEU HG 1 86 THR H . . 4.800 3.402 2.437 4.933 0.133 19 0 "[ . 1 . 2]" 1
493 1 85 LEU HB2 1 86 THR H . . 4.550 4.310 4.170 4.484 . 0 0 "[ . 1 . 2]" 1
494 1 86 THR H 1 86 THR HB . . 3.590 2.784 2.525 2.984 . 0 0 "[ . 1 . 2]" 1
495 1 16 TYR HA 1 86 THR H . . 4.220 2.774 2.350 2.999 . 0 0 "[ . 1 . 2]" 1
496 1 85 LEU HA 1 86 THR H . . 3.080 2.178 2.138 2.195 . 0 0 "[ . 1 . 2]" 1
497 1 15 LYS H 1 86 THR H . . 4.330 3.689 3.408 4.059 . 0 0 "[ . 1 . 2]" 1
498 1 86 THR H 1 87 ILE H . . 4.550 4.185 4.120 4.396 . 0 0 "[ . 1 . 2]" 1
499 1 87 ILE H 1 87 ILE HB . . 3.650 2.930 2.817 3.228 . 0 0 "[ . 1 . 2]" 1
500 1 87 ILE H 1 87 ILE QG . . 3.710 2.208 2.012 2.368 . 0 0 "[ . 1 . 2]" 1
501 1 86 THR MG 1 87 ILE H . . 3.660 2.823 2.509 2.955 . 0 0 "[ . 1 . 2]" 1
502 1 87 ILE H 1 107 THR MG . . 3.630 3.392 3.238 3.622 . 0 0 "[ . 1 . 2]" 1
503 1 87 ILE H 1 109 VAL HA . . 4.370 3.052 2.820 3.222 . 0 0 "[ . 1 . 2]" 1
504 1 86 THR HA 1 87 ILE H . . 3.090 2.149 2.142 2.152 . 0 0 "[ . 1 . 2]" 1
505 1 87 ILE H 1 108 LEU H . . 4.300 3.850 3.512 4.001 . 0 0 "[ . 1 . 2]" 1
506 1 35 VAL H 1 35 VAL HB . . 4.090 3.867 3.813 3.944 . 0 0 "[ . 1 . 2]" 1
507 1 65 MET H 1 65 MET QB . . 3.560 2.815 2.117 3.439 . 0 0 "[ . 1 . 2]" 1
508 1 90 GLN H 1 90 GLN QB . . 3.780 2.554 2.227 2.786 . 0 0 "[ . 1 . 2]" 1
509 1 89 PRO HB2 1 90 GLN H . . 3.820 3.477 3.174 3.773 . 0 0 "[ . 1 . 2]" 1
510 1 89 PRO QG 1 90 GLN H . . 4.570 2.546 2.169 2.953 . 0 0 "[ . 1 . 2]" 1
511 1 90 GLN H 1 90 GLN QG . . 4.380 2.512 1.931 4.027 . 0 0 "[ . 1 . 2]" 1
512 1 90 GLN H 1 91 LEU H . . 3.670 2.414 2.223 2.677 . 0 0 "[ . 1 . 2]" 1
513 1 90 GLN QB 1 91 LEU H . . 4.190 3.324 2.536 3.627 . 0 0 "[ . 1 . 2]" 1
514 1 89 PRO HB2 1 91 LEU H . . 5.500 5.393 5.090 5.507 0.007 6 0 "[ . 1 . 2]" 1
515 1 91 LEU H 1 91 LEU HG . . 4.550 3.688 2.184 4.587 0.037 12 0 "[ . 1 . 2]" 1
516 1 91 LEU H 1 91 LEU QB . . 3.500 2.445 2.260 2.676 . 0 0 "[ . 1 . 2]" 1
517 1 87 ILE MG 1 91 LEU H . . 4.080 3.949 3.366 4.113 0.033 7 0 "[ . 1 . 2]" 1
518 1 89 PRO HA 1 92 GLY H . . 4.310 3.521 3.370 3.764 . 0 0 "[ . 1 . 2]" 1
519 1 89 PRO QG 1 92 GLY H . . 5.500 5.525 5.488 5.558 0.058 5 0 "[ . 1 . 2]" 1
520 1 91 LEU HG 1 92 GLY H . . 5.500 4.900 4.577 5.571 0.071 18 0 "[ . 1 . 2]" 1
521 1 91 LEU QB 1 92 GLY H . . 4.410 3.528 3.158 3.770 . 0 0 "[ . 1 . 2]" 1
522 1 87 ILE MG 1 92 GLY H . . 4.380 3.724 3.012 4.172 . 0 0 "[ . 1 . 2]" 1
523 1 91 LEU H 1 92 GLY H . . 3.140 2.363 2.034 2.682 . 0 0 "[ . 1 . 2]" 1
524 1 92 GLY HA2 1 93 TYR H . . 3.520 3.327 3.218 3.521 0.001 10 0 "[ . 1 . 2]" 1
525 1 93 TYR H 1 93 TYR QD . . 4.040 2.305 1.945 2.828 . 0 0 "[ . 1 . 2]" 1
526 1 92 GLY HA2 1 94 GLY H . . 4.990 4.892 4.538 5.001 0.011 1 0 "[ . 1 . 2]" 1
527 1 93 TYR HB2 1 94 GLY H . . 4.950 2.812 2.577 3.113 . 0 0 "[ . 1 . 2]" 1
528 1 89 PRO HB2 1 94 GLY H . . 4.400 4.226 4.054 4.401 0.001 16 0 "[ . 1 . 2]" 1
529 1 89 PRO HA 1 94 GLY H . . 3.990 3.205 2.708 3.727 . 0 0 "[ . 1 . 2]" 1
530 1 92 GLY H 1 94 GLY H . . 4.160 3.459 3.069 3.930 . 0 0 "[ . 1 . 2]" 1
531 1 93 TYR H 1 94 GLY H . . 3.550 2.670 2.170 2.889 . 0 0 "[ . 1 . 2]" 1
532 1 96 ARG H 1 97 GLY H . . 3.660 2.529 2.026 3.074 . 0 0 "[ . 1 . 2]" 1
533 1 96 ARG H 1 96 ARG QB . . 3.220 2.331 2.188 2.800 . 0 0 "[ . 1 . 2]" 1
534 1 96 ARG H 1 96 ARG QG . . 4.120 3.419 2.051 4.070 . 0 0 "[ . 1 . 2]" 1
535 1 95 ALA MB 1 96 ARG H . . 4.000 3.150 2.916 3.347 . 0 0 "[ . 1 . 2]" 1
536 1 96 ARG H 1 96 ARG QD . . 4.790 3.934 2.061 4.678 . 0 0 "[ . 1 . 2]" 1
537 1 97 GLY H 1 98 ALA H . . 4.740 4.523 4.182 4.628 . 0 0 "[ . 1 . 2]" 1
538 1 96 ARG QB 1 97 GLY H . . 3.670 2.475 1.959 3.728 0.058 7 0 "[ . 1 . 2]" 1
539 1 101 VAL H 1 101 VAL MG1 . . 3.860 3.402 1.915 3.865 0.005 9 0 "[ . 1 . 2]" 1
540 1 101 VAL H 1 101 VAL MG2 . . 3.860 2.497 1.958 3.874 0.014 5 0 "[ . 1 . 2]" 1
541 1 98 ALA MB 1 101 VAL H . . 5.230 3.659 2.698 4.374 . 0 0 "[ . 1 . 2]" 1
542 1 101 VAL H 1 102 ILE HB . . 5.490 5.054 4.539 5.492 0.002 19 0 "[ . 1 . 2]" 1
543 1 101 VAL H 1 101 VAL HB . . 3.770 2.776 2.524 3.736 . 0 0 "[ . 1 . 2]" 1
544 1 101 VAL H 1 102 ILE H . . 3.030 2.402 1.893 2.849 . 0 0 "[ . 1 . 2]" 1
545 1 101 VAL HB 1 102 ILE H . . 3.940 2.912 2.263 3.973 0.033 5 0 "[ . 1 . 2]" 1
546 1 102 ILE H 1 102 ILE HB . . 3.380 2.787 2.668 2.912 . 0 0 "[ . 1 . 2]" 1
547 1 102 ILE H 1 102 ILE HG13 . . 4.170 2.820 2.465 3.059 . 0 0 "[ . 1 . 2]" 1
548 1 102 ILE H 1 102 ILE MG . . 4.150 3.909 3.864 3.958 . 0 0 "[ . 1 . 2]" 1
549 1 98 ALA MB 1 102 ILE H . . 4.080 2.624 1.927 3.397 . 0 0 "[ . 1 . 2]" 1
550 1 102 ILE H 1 102 ILE HG12 . . 4.170 3.970 3.609 4.180 0.010 7 0 "[ . 1 . 2]" 1
551 1 102 ILE H 1 102 ILE MD . . 4.300 4.042 3.740 4.267 . 0 0 "[ . 1 . 2]" 1
552 1 89 PRO HB2 1 105 ASN H . . 4.480 2.415 1.981 2.953 . 0 0 "[ . 1 . 2]" 1
553 1 89 PRO QG 1 105 ASN H . . 4.910 3.312 2.870 4.139 . 0 0 "[ . 1 . 2]" 1
554 1 87 ILE HB 1 108 LEU H . . 4.480 4.164 4.023 4.508 0.028 1 0 "[ . 1 . 2]" 1
555 1 108 LEU H 1 108 LEU HG . . 3.910 2.383 1.971 3.839 . 0 0 "[ . 1 . 2]" 1
556 1 108 LEU H 1 108 LEU MD2 . . 4.330 2.777 1.906 3.568 . 0 0 "[ . 1 . 2]" 1
557 1 107 THR MG 1 108 LEU H . . 3.340 2.144 1.959 2.445 . 0 0 "[ . 1 . 2]" 1
558 1 108 LEU H 1 108 LEU MD1 . . 4.330 3.632 1.943 4.025 . 0 0 "[ . 1 . 2]" 1
559 1 86 THR HA 1 108 LEU H . . 5.400 5.283 4.913 5.413 0.013 6 0 "[ . 1 . 2]" 1
560 1 109 VAL H 1 109 VAL HB . . 3.450 2.603 2.552 2.764 . 0 0 "[ . 1 . 2]" 1
561 1 108 LEU HB3 1 109 VAL H . . 4.160 4.043 3.541 4.116 . 0 0 "[ . 1 . 2]" 1
562 1 108 LEU HB2 1 109 VAL H . . 4.160 2.989 2.350 3.103 . 0 0 "[ . 1 . 2]" 1
563 1 42 THR MG 1 109 VAL H . . 5.480 5.118 4.932 5.483 0.003 19 0 "[ . 1 . 2]" 1
564 1 108 LEU MD2 1 109 VAL H . . 5.500 4.967 3.387 5.166 . 0 0 "[ . 1 . 2]" 1
565 1 86 THR MG 1 109 VAL H . . 5.160 4.769 4.385 5.105 . 0 0 "[ . 1 . 2]" 1
566 1 108 LEU MD1 1 109 VAL H . . 5.500 3.934 3.291 4.668 . 0 0 "[ . 1 . 2]" 1
567 1 108 LEU HA 1 109 VAL H . . 3.060 2.209 2.178 2.432 . 0 0 "[ . 1 . 2]" 1
568 1 40 TRP HE3 1 109 VAL H . . 5.500 5.508 5.368 5.553 0.053 18 0 "[ . 1 . 2]" 1
569 1 47 PHE QE 1 109 VAL H . . 4.370 3.677 3.112 3.897 . 0 0 "[ . 1 . 2]" 1
570 1 40 TRP H 1 109 VAL H . . 4.000 3.085 2.801 3.261 . 0 0 "[ . 1 . 2]" 1
571 1 109 VAL HA 1 110 PHE H . . 3.040 2.179 2.143 2.256 . 0 0 "[ . 1 . 2]" 1
572 1 86 THR HA 1 110 PHE H . . 4.380 3.271 3.107 3.500 . 0 0 "[ . 1 . 2]" 1
573 1 85 LEU HB3 1 110 PHE H . . 4.770 3.412 3.059 4.786 0.016 1 0 "[ . 1 . 2]" 1
574 1 109 VAL HB 1 110 PHE H . . 4.990 4.067 3.808 4.231 . 0 0 "[ . 1 . 2]" 1
575 1 87 ILE QG 1 110 PHE H . . 4.850 3.913 3.650 4.293 . 0 0 "[ . 1 . 2]" 1
576 1 84 ARG QG 1 110 PHE H . . 4.520 4.405 3.498 4.545 0.025 14 0 "[ . 1 . 2]" 1
577 1 85 LEU HB2 1 110 PHE H . . 4.770 4.260 3.488 4.801 0.031 9 0 "[ . 1 . 2]" 1
578 1 110 PHE H 1 110 PHE QD . . 4.300 3.847 3.623 3.958 . 0 0 "[ . 1 . 2]" 1
579 1 109 VAL H 1 110 PHE H . . 5.180 4.450 4.359 4.502 . 0 0 "[ . 1 . 2]" 1
580 1 85 LEU H 1 110 PHE H . . 3.860 3.519 2.882 3.851 . 0 0 "[ . 1 . 2]" 1
581 1 38 THR MG 1 111 GLU H . . 5.100 4.216 4.160 4.307 . 0 0 "[ . 1 . 2]" 1
582 1 38 THR HB 1 111 GLU H . . 4.610 2.743 2.664 2.836 . 0 0 "[ . 1 . 2]" 1
583 1 37 TYR HB2 1 111 GLU H . . 4.950 4.509 4.360 4.782 . 0 0 "[ . 1 . 2]" 1
584 1 111 GLU H 1 111 GLU HB2 . . 3.820 2.414 2.358 2.548 . 0 0 "[ . 1 . 2]" 1
585 1 111 GLU H 1 111 GLU HB3 . . 3.740 2.932 2.758 2.996 . 0 0 "[ . 1 . 2]" 1
586 1 39 GLY HA2 1 111 GLU H . . 4.720 3.965 3.822 4.060 . 0 0 "[ . 1 . 2]" 1
587 1 110 PHE HA 1 111 GLU H . . 3.160 2.164 2.160 2.166 . 0 0 "[ . 1 . 2]" 1
588 1 40 TRP HZ3 1 111 GLU H . . 4.430 4.378 4.327 4.428 . 0 0 "[ . 1 . 2]" 1
589 1 40 TRP HE3 1 111 GLU H . . 4.690 4.230 4.160 4.475 . 0 0 "[ . 1 . 2]" 1
590 1 38 THR H 1 111 GLU H . . 3.760 2.162 2.040 2.265 . 0 0 "[ . 1 . 2]" 1
591 1 111 GLU HA 1 112 VAL H . . 2.960 2.146 2.139 2.156 . 0 0 "[ . 1 . 2]" 1
592 1 112 VAL H 1 112 VAL HB . . 3.460 2.555 2.443 2.637 . 0 0 "[ . 1 . 2]" 1
593 1 82 VAL MG1 1 112 VAL H . . 5.410 4.160 3.691 4.509 . 0 0 "[ . 1 . 2]" 1
594 1 112 VAL H 1 112 VAL MG2 . . 4.250 2.424 2.273 2.535 . 0 0 "[ . 1 . 2]" 1
595 1 112 VAL H 1 112 VAL MG1 . . 4.250 3.805 3.761 3.838 . 0 0 "[ . 1 . 2]" 1
596 1 84 ARG HA 1 112 VAL H . . 4.080 3.379 3.058 3.574 . 0 0 "[ . 1 . 2]" 1
597 1 83 ARG H 1 112 VAL H . . 3.910 3.481 3.232 3.783 . 0 0 "[ . 1 . 2]" 1
598 1 112 VAL HA 1 113 GLU H . . 2.990 2.145 2.140 2.164 . 0 0 "[ . 1 . 2]" 1
599 1 82 VAL MG2 1 113 GLU H . . 5.500 5.316 4.856 5.526 0.026 5 0 "[ . 1 . 2]" 1
600 1 82 VAL MG1 1 113 GLU H . . 5.500 4.795 4.462 5.157 . 0 0 "[ . 1 . 2]" 1
601 1 112 VAL MG2 1 113 GLU H . . 4.400 4.089 3.972 4.187 . 0 0 "[ . 1 . 2]" 1
602 1 112 VAL MG1 1 113 GLU H . . 4.400 2.689 2.488 2.856 . 0 0 "[ . 1 . 2]" 1
603 1 35 VAL HB 1 113 GLU H . . 5.110 3.304 2.963 3.599 . 0 0 "[ . 1 . 2]" 1
604 1 113 GLU H 1 113 GLU HG3 . . 4.570 3.329 2.018 4.626 0.056 15 0 "[ . 1 . 2]" 1
605 1 113 GLU H 1 113 GLU HG2 . . 4.570 3.290 1.981 4.648 0.078 15 0 "[ . 1 . 2]" 1
606 1 36 HIS HB3 1 113 GLU H . . 4.680 4.125 3.838 4.362 . 0 0 "[ . 1 . 2]" 1
607 1 77 MET ME 1 114 LEU H . . 3.230 2.416 1.873 3.006 . 0 0 "[ . 1 . 2]" 1
608 1 114 LEU H 1 114 LEU HB2 . . 3.620 2.166 2.049 2.596 . 0 0 "[ . 1 . 2]" 1
609 1 82 VAL MG2 1 114 LEU H . . 4.820 4.177 3.817 4.502 . 0 0 "[ . 1 . 2]" 1
610 1 114 LEU H 1 114 LEU MD2 . . 5.060 3.132 2.001 4.403 . 0 0 "[ . 1 . 2]" 1
611 1 114 LEU H 1 114 LEU MD1 . . 5.060 3.992 2.836 4.233 . 0 0 "[ . 1 . 2]" 1
612 1 113 GLU HA 1 114 LEU H . . 3.040 2.145 2.139 2.175 . 0 0 "[ . 1 . 2]" 1
613 1 82 VAL HA 1 114 LEU H . . 4.090 3.662 3.473 3.850 . 0 0 "[ . 1 . 2]" 1
614 1 80 GLY H 1 114 LEU H . . 4.480 4.075 3.794 4.416 . 0 0 "[ . 1 . 2]" 1
615 1 113 GLU H 1 114 LEU H . . 4.730 4.155 3.982 4.241 . 0 0 "[ . 1 . 2]" 1
616 1 81 GLY H 1 114 LEU H . . 4.420 3.595 3.473 3.779 . 0 0 "[ . 1 . 2]" 1
617 1 115 LEU H 1 115 LEU QB . . 3.520 2.616 2.359 2.711 . 0 0 "[ . 1 . 2]" 1
618 1 114 LEU HB3 1 115 LEU H . . 4.600 3.568 3.128 4.124 . 0 0 "[ . 1 . 2]" 1
619 1 115 LEU H 1 115 LEU HG . . 3.530 2.450 2.130 2.978 . 0 0 "[ . 1 . 2]" 1
620 1 114 LEU HB2 1 115 LEU H . . 5.250 4.369 4.181 4.461 . 0 0 "[ . 1 . 2]" 1
621 1 114 LEU HG 1 115 LEU H . . 5.480 4.471 2.971 5.311 . 0 0 "[ . 1 . 2]" 1
622 1 114 LEU HA 1 115 LEU H . . 3.170 2.167 2.142 2.205 . 0 0 "[ . 1 . 2]" 1
623 1 35 VAL HA 1 115 LEU H . . 3.640 2.675 2.468 2.867 . 0 0 "[ . 1 . 2]" 1
624 1 116 ASP H 1 116 ASP HB2 . . 4.200 3.279 2.852 4.059 . 0 0 "[ . 1 . 2]" 1
625 1 116 ASP H 1 116 ASP HB3 . . 4.200 3.342 2.926 3.873 . 0 0 "[ . 1 . 2]" 1
626 1 115 LEU QB 1 116 ASP H . . 3.750 2.351 2.218 2.584 . 0 0 "[ . 1 . 2]" 1
627 1 79 VAL MG2 1 116 ASP H . . 4.100 4.021 3.719 4.130 0.030 19 0 "[ . 1 . 2]" 1
628 1 33 VAL HB 1 116 ASP H . . 4.530 4.211 3.979 4.435 . 0 0 "[ . 1 . 2]" 1
629 1 115 LEU HG 1 116 ASP H . . 4.270 3.930 3.637 4.463 0.193 15 0 "[ . 1 . 2]" 1
630 1 34 SER HB2 1 116 ASP H . . 4.620 3.257 2.851 4.138 . 0 0 "[ . 1 . 2]" 1
631 1 34 SER HB3 1 116 ASP H . . 4.620 4.515 4.243 4.622 0.002 19 0 "[ . 1 . 2]" 1
632 1 115 LEU H 1 116 ASP H . . 3.270 2.255 2.105 2.395 . 0 0 "[ . 1 . 2]" 1
633 1 116 ASP HA 1 117 VAL H . . 2.700 2.371 2.277 2.472 . 0 0 "[ . 1 . 2]" 1
634 1 116 ASP HB2 1 117 VAL H . . 4.750 3.849 2.656 4.125 . 0 0 "[ . 1 . 2]" 1
635 1 116 ASP HB3 1 117 VAL H . . 4.750 3.296 2.540 4.088 . 0 0 "[ . 1 . 2]" 1
636 1 117 VAL H 1 117 VAL HB . . 4.150 3.752 3.640 3.850 . 0 0 "[ . 1 . 2]" 1
637 1 25 ALA MB 1 117 VAL H . . 5.240 4.664 3.743 5.245 0.005 20 0 "[ . 1 . 2]" 1
638 1 79 VAL MG2 1 117 VAL H . . 3.450 2.636 2.362 2.989 . 0 0 "[ . 1 . 2]" 1
639 1 79 VAL MG1 1 117 VAL H . . 4.220 3.675 3.380 4.052 . 0 0 "[ . 1 . 2]" 1
640 1 104 PRO HA 1 106 ALA H . . 4.910 3.275 3.157 3.410 . 0 0 "[ . 1 . 2]" 1
641 1 89 PRO HB2 1 106 ALA H . . 4.450 2.972 2.795 3.151 . 0 0 "[ . 1 . 2]" 1
642 1 106 ALA H 1 106 ALA MB . . 3.110 2.528 2.456 2.577 . 0 0 "[ . 1 . 2]" 1
643 1 102 ILE MG 1 106 ALA H . . 5.080 4.874 4.740 4.973 . 0 0 "[ . 1 . 2]" 1
644 1 105 ASN H 1 106 ALA H . . 3.850 2.645 2.603 2.910 . 0 0 "[ . 1 . 2]" 1
645 1 104 PRO HA 1 105 ASN H . . 3.260 2.333 2.257 2.433 . 0 0 "[ . 1 . 2]" 1
646 1 107 THR H 1 107 THR HB . . 3.180 2.488 2.450 2.571 . 0 0 "[ . 1 . 2]" 1
647 1 106 ALA HA 1 107 THR H . . 2.880 2.146 2.140 2.162 . 0 0 "[ . 1 . 2]" 1
648 1 107 THR H 1 107 THR MG . . 3.950 3.769 3.758 3.791 . 0 0 "[ . 1 . 2]" 1
649 1 6 THR H 1 7 VAL H . . 4.640 4.417 4.049 4.606 . 0 0 "[ . 1 . 2]" 1
650 1 90 GLN H 1 92 GLY H . . 4.710 3.745 3.436 4.146 . 0 0 "[ . 1 . 2]" 1
651 1 29 ALA H 1 61 LEU HB3 . . 4.440 4.177 3.929 4.449 0.009 3 0 "[ . 1 . 2]" 1
652 1 29 ALA H 1 61 LEU MD1 . . 5.500 4.416 2.830 5.121 . 0 0 "[ . 1 . 2]" 1
653 1 10 THR HB 1 12 SER H . . 4.000 3.047 2.711 3.566 . 0 0 "[ . 1 . 2]" 1
654 1 17 GLU H 1 17 GLU HB2 . . 3.960 3.198 2.975 3.442 . 0 0 "[ . 1 . 2]" 1
655 1 33 VAL MG2 1 61 LEU H . . 4.340 3.788 3.479 4.056 . 0 0 "[ . 1 . 2]" 1
656 1 18 ASP H 1 83 ARG QD . . 5.500 3.979 2.923 4.912 . 0 0 "[ . 1 . 2]" 1
657 1 83 ARG QD 1 84 ARG H . . 5.500 3.989 2.480 4.893 . 0 0 "[ . 1 . 2]" 1
658 1 78 LYS H 1 79 VAL H . . 4.680 4.495 4.447 4.558 . 0 0 "[ . 1 . 2]" 1
659 1 77 MET H 1 78 LYS H . . 5.010 4.633 4.613 4.646 . 0 0 "[ . 1 . 2]" 1
660 1 27 ALA H 1 79 VAL H . . 5.330 4.956 4.637 5.206 . 0 0 "[ . 1 . 2]" 1
661 1 33 VAL H 1 61 LEU H . . 4.610 3.847 3.225 4.506 . 0 0 "[ . 1 . 2]" 1
662 1 31 GLN H 1 61 LEU H . . 4.620 3.419 3.026 3.859 . 0 0 "[ . 1 . 2]" 1
663 1 60 VAL MG1 1 61 LEU H . . 4.120 3.680 2.295 4.122 0.002 14 0 "[ . 1 . 2]" 1
664 1 61 LEU H 1 61 LEU MD2 . . 4.780 4.181 4.141 4.212 . 0 0 "[ . 1 . 2]" 1
665 1 60 VAL HA 1 61 LEU H . . 3.070 2.155 2.142 2.174 . 0 0 "[ . 1 . 2]" 1
666 1 32 THR HA 1 61 LEU H . . 3.890 3.536 3.327 3.645 . 0 0 "[ . 1 . 2]" 1
667 1 61 LEU H 1 61 LEU HB2 . . 3.670 2.492 2.107 2.761 . 0 0 "[ . 1 . 2]" 1
668 1 61 LEU H 1 61 LEU HB3 . . 3.490 2.548 2.290 3.015 . 0 0 "[ . 1 . 2]" 1
669 1 10 THR H 1 12 SER H . . 4.910 4.523 4.043 4.836 . 0 0 "[ . 1 . 2]" 1
670 1 33 VAL HA 1 33 VAL MG1 . . 3.460 2.329 2.302 2.395 . 0 0 "[ . 1 . 2]" 1
671 1 28 ARG H 1 33 VAL MG1 . . 4.360 3.322 2.989 3.805 . 0 0 "[ . 1 . 2]" 1
672 1 33 VAL MG1 1 117 VAL HB . . 3.500 2.399 2.173 2.902 . 0 0 "[ . 1 . 2]" 1
673 1 27 ALA MB 1 33 VAL MG1 . . 3.120 2.309 1.893 2.594 . 0 0 "[ . 1 . 2]" 1
674 1 27 ALA MB 1 33 VAL MG2 . . 3.540 2.473 2.140 2.740 . 0 0 "[ . 1 . 2]" 1
675 1 32 THR HA 1 33 VAL MG2 . . 4.360 3.886 3.747 3.994 . 0 0 "[ . 1 . 2]" 1
676 1 33 VAL MG2 1 59 PHE QE . . 3.990 3.840 3.559 3.996 0.006 18 0 "[ . 1 . 2]" 1
677 1 32 THR HA 1 32 THR MG . . 3.340 2.199 2.085 2.358 . 0 0 "[ . 1 . 2]" 1
678 1 45 GLN HA 1 45 GLN HG2 . . 3.940 3.289 2.368 3.841 . 0 0 "[ . 1 . 2]" 1
679 1 45 GLN HA 1 45 GLN HG3 . . 3.940 2.940 2.194 3.603 . 0 0 "[ . 1 . 2]" 1
680 1 31 GLN HA 1 31 GLN HG2 . . 4.070 3.689 3.537 3.784 . 0 0 "[ . 1 . 2]" 1
681 1 29 ALA HA 1 61 LEU HB2 . . 4.050 3.790 3.560 4.060 0.010 17 0 "[ . 1 . 2]" 1
682 1 28 ARG HA 1 29 ALA MB . . 4.080 4.002 3.956 4.066 . 0 0 "[ . 1 . 2]" 1
683 1 29 ALA MB 1 62 GLY HA2 . . 4.300 4.168 3.885 4.350 0.050 14 0 "[ . 1 . 2]" 1
684 1 28 ARG HA 1 28 ARG QG . . 3.660 2.552 2.333 2.931 . 0 0 "[ . 1 . 2]" 1
685 1 28 ARG HB3 1 28 ARG QD . . 3.500 2.538 2.108 3.005 . 0 0 "[ . 1 . 2]" 1
686 1 28 ARG HA 1 28 ARG QD . . 4.420 3.654 1.994 4.244 . 0 0 "[ . 1 . 2]" 1
687 1 28 ARG H 1 28 ARG QD . . 5.030 4.277 3.883 4.909 . 0 0 "[ . 1 . 2]" 1
688 1 28 ARG QD 1 29 ALA H . . 5.500 4.742 3.505 5.489 . 0 0 "[ . 1 . 2]" 1
689 1 26 GLU QG 1 27 ALA MB . . 3.770 3.493 3.343 3.748 . 0 0 "[ . 1 . 2]" 1
690 1 27 ALA MB 1 61 LEU HB2 . . 4.080 3.217 2.766 3.484 . 0 0 "[ . 1 . 2]" 1
691 1 26 GLU QB 1 78 LYS HG3 . . 4.450 2.558 2.086 3.412 . 0 0 "[ . 1 . 2]" 1
692 1 26 GLU QB 1 78 LYS HG2 . . 4.450 2.359 1.990 3.118 . 0 0 "[ . 1 . 2]" 1
693 1 26 GLU HA 1 26 GLU QG . . 3.390 2.496 2.244 2.570 . 0 0 "[ . 1 . 2]" 1
694 1 26 GLU H 1 26 GLU QG . . 3.940 3.942 3.923 3.987 0.047 19 0 "[ . 1 . 2]" 1
695 1 26 GLU QG 1 78 LYS HG3 . . 4.380 3.352 1.991 4.390 0.010 15 0 "[ . 1 . 2]" 1
696 1 26 GLU QG 1 28 ARG QG . . 4.310 3.820 3.105 4.311 0.001 19 0 "[ . 1 . 2]" 1
697 1 26 GLU QG 1 78 LYS QE . . 4.750 3.993 2.468 4.741 . 0 0 "[ . 1 . 2]" 1
698 1 25 ALA HA 1 26 GLU QB . . 4.140 4.071 4.023 4.111 . 0 0 "[ . 1 . 2]" 1
699 1 25 ALA MB 1 117 VAL MG1 . . 3.440 2.727 1.908 3.415 . 0 0 "[ . 1 . 2]" 1
700 1 24 GLY HA3 1 79 VAL HB . . 3.550 2.082 1.986 2.213 . 0 0 "[ . 1 . 2]" 1
701 1 24 GLY HA2 1 79 VAL HB . . 3.960 3.806 3.670 3.953 . 0 0 "[ . 1 . 2]" 1
702 1 24 GLY HA2 1 79 VAL MG1 . . 5.010 4.594 4.432 4.800 . 0 0 "[ . 1 . 2]" 1
703 1 24 GLY HA3 1 79 VAL MG1 . . 3.990 3.317 3.136 3.500 . 0 0 "[ . 1 . 2]" 1
704 1 21 GLU HA 1 21 GLU QG . . 3.560 2.588 2.183 3.459 . 0 0 "[ . 1 . 2]" 1
705 1 20 THR HA 1 21 GLU H . . 3.520 2.202 2.143 2.321 . 0 0 "[ . 1 . 2]" 1
706 1 20 THR HB 1 82 VAL HB . . 3.560 2.673 2.191 3.184 . 0 0 "[ . 1 . 2]" 1
707 1 20 THR HA 1 20 THR MG . . 3.310 2.193 2.045 2.346 . 0 0 "[ . 1 . 2]" 1
708 1 20 THR MG 1 21 GLU QB . . 4.610 3.882 3.479 4.534 . 0 0 "[ . 1 . 2]" 1
709 1 20 THR MG 1 82 VAL HB . . 4.890 4.163 3.779 4.715 . 0 0 "[ . 1 . 2]" 1
710 1 19 LEU HA 1 19 LEU HG . . 4.120 2.873 2.203 3.679 . 0 0 "[ . 1 . 2]" 1
711 1 19 LEU QB 1 82 VAL MG1 . . 4.360 2.175 1.897 2.720 . 0 0 "[ . 1 . 2]" 1
712 1 18 ASP HA 1 19 LEU H . . 3.190 2.215 2.153 2.261 . 0 0 "[ . 1 . 2]" 1
713 1 18 ASP H 1 18 ASP HB3 . . 3.720 2.646 2.350 3.465 . 0 0 "[ . 1 . 2]" 1
714 1 16 TYR HA 1 17 GLU HB3 . . 4.900 4.631 4.320 4.884 . 0 0 "[ . 1 . 2]" 1
715 1 15 LYS QB 1 16 TYR HA . . 4.500 4.030 3.985 4.073 . 0 0 "[ . 1 . 2]" 1
716 1 16 TYR HA 1 85 LEU HG . . 5.080 4.544 4.075 5.070 . 0 0 "[ . 1 . 2]" 1
717 1 37 TYR HB2 1 39 GLY H . . 4.920 4.772 4.719 4.819 . 0 0 "[ . 1 . 2]" 1
718 1 19 LEU H 1 83 ARG QD . . 5.020 4.510 3.320 5.045 0.025 5 0 "[ . 1 . 2]" 1
719 1 9 THR MG 1 15 LYS QE . . 4.120 3.656 2.799 4.152 0.032 14 0 "[ . 1 . 2]" 1
720 1 11 GLU HA 1 11 GLU QG . . 3.520 2.655 2.215 3.416 . 0 0 "[ . 1 . 2]" 1
721 1 11 GLU HA 1 13 GLY H . . 4.690 4.520 4.338 4.666 . 0 0 "[ . 1 . 2]" 1
722 1 10 THR HB 1 11 GLU QB . . 4.380 4.046 3.680 4.392 0.012 3 0 "[ . 1 . 2]" 1
723 1 10 THR HA 1 11 GLU QG . . 5.050 4.255 3.815 5.014 . 0 0 "[ . 1 . 2]" 1
724 1 10 THR HB 1 11 GLU QG . . 5.360 4.140 3.193 5.115 . 0 0 "[ . 1 . 2]" 1
725 1 11 GLU H 1 11 GLU QG . . 3.790 2.429 2.123 3.289 . 0 0 "[ . 1 . 2]" 1
726 1 9 THR HA 1 9 THR MG . . 3.270 2.366 2.005 3.197 . 0 0 "[ . 1 . 2]" 1
727 1 9 THR HA 1 15 LYS HA . . 3.620 2.863 2.215 3.503 . 0 0 "[ . 1 . 2]" 1
728 1 9 THR H 1 9 THR HB . . 3.730 3.484 2.858 3.730 0.000 5 0 "[ . 1 . 2]" 1
729 1 9 THR MG 1 10 THR H . . 4.090 3.541 2.257 4.137 0.047 14 0 "[ . 1 . 2]" 1
730 1 9 THR MG 1 15 LYS HA . . 5.020 3.883 3.079 5.069 0.049 16 0 "[ . 1 . 2]" 1
731 1 35 VAL MG2 1 58 ALA HA . . 5.500 4.104 3.858 4.397 . 0 0 "[ . 1 . 2]" 1
732 1 8 VAL HB 1 16 TYR QE . . 5.230 4.089 3.118 5.226 . 0 0 "[ . 1 . 2]" 1
733 1 26 GLU H 1 117 VAL MG1 . . 5.500 4.698 3.782 5.179 . 0 0 "[ . 1 . 2]" 1
734 1 26 GLU H 1 117 VAL MG2 . . 5.500 5.229 4.452 5.517 0.017 19 0 "[ . 1 . 2]" 1
735 1 8 VAL H 1 8 VAL MG1 . . 4.320 2.958 1.946 3.910 . 0 0 "[ . 1 . 2]" 1
736 1 8 VAL MG1 1 16 TYR QD . . 4.450 3.364 2.730 3.984 . 0 0 "[ . 1 . 2]" 1
737 1 7 VAL HA 1 8 VAL HB . . 4.680 4.559 4.339 4.689 0.009 3 0 "[ . 1 . 2]" 1
738 1 33 VAL HB 1 117 VAL HA . . 4.160 2.593 2.459 2.794 . 0 0 "[ . 1 . 2]" 1
739 1 33 VAL MG1 1 117 VAL HA . . 3.080 2.004 1.923 2.289 . 0 0 "[ . 1 . 2]" 1
740 1 7 VAL HA 1 7 VAL MG1 . . 3.330 2.849 2.291 3.203 . 0 0 "[ . 1 . 2]" 1
741 1 33 VAL HA 1 117 VAL HA . . 3.410 2.462 2.068 3.247 . 0 0 "[ . 1 . 2]" 1
742 1 79 VAL MG2 1 117 VAL HA . . 4.670 4.047 3.651 4.370 . 0 0 "[ . 1 . 2]" 1
743 1 7 VAL MG2 1 15 LYS QE . . 5.500 3.812 2.082 5.506 0.006 14 0 "[ . 1 . 2]" 1
744 1 7 VAL MG1 1 15 LYS QE . . 5.500 4.026 1.794 5.373 . 0 0 "[ . 1 . 2]" 1
745 1 7 VAL HA 1 7 VAL MG2 . . 3.330 2.290 2.195 2.430 . 0 0 "[ . 1 . 2]" 1
746 1 6 THR HA 1 7 VAL HB . . 4.900 4.573 4.313 4.810 . 0 0 "[ . 1 . 2]" 1
747 1 6 THR HA 1 7 VAL H . . 2.880 2.231 2.142 2.439 . 0 0 "[ . 1 . 2]" 1
748 1 6 THR HB 1 7 VAL H . . 4.250 3.760 2.353 4.251 0.001 11 0 "[ . 1 . 2]" 1
749 1 6 THR HA 1 6 THR MG . . 3.340 2.559 2.069 3.207 . 0 0 "[ . 1 . 2]" 1
750 1 4 SER H 1 4 SER QB . . 3.910 2.698 2.329 3.439 . 0 0 "[ . 1 . 2]" 1
751 1 34 SER HB3 1 58 ALA MB . . 4.570 3.126 2.469 3.369 . 0 0 "[ . 1 . 2]" 1
752 1 34 SER HB3 1 115 LEU MD2 . . 5.450 5.153 4.654 5.503 0.053 13 0 "[ . 1 . 2]" 1
753 1 34 SER HB2 1 115 LEU MD2 . . 5.450 5.246 4.272 5.458 0.008 19 0 "[ . 1 . 2]" 1
754 1 34 SER HB3 1 115 LEU MD1 . . 5.450 2.655 1.991 3.518 . 0 0 "[ . 1 . 2]" 1
755 1 34 SER HB2 1 115 LEU MD1 . . 5.450 3.143 1.958 3.587 . 0 0 "[ . 1 . 2]" 1
756 1 34 SER H 1 34 SER HB2 . . 3.910 2.593 2.433 3.692 . 0 0 "[ . 1 . 2]" 1
757 1 34 SER HB2 1 35 VAL H . . 4.640 4.223 3.263 4.408 . 0 0 "[ . 1 . 2]" 1
758 1 35 VAL HA 1 115 LEU QB . . 4.510 3.832 3.432 4.233 . 0 0 "[ . 1 . 2]" 1
759 1 35 VAL HA 1 115 LEU HG . . 4.000 2.332 1.996 3.615 . 0 0 "[ . 1 . 2]" 1
760 1 35 VAL HA 1 114 LEU HA . . 4.330 2.674 2.375 2.900 . 0 0 "[ . 1 . 2]" 1
761 1 32 THR MG 1 59 PHE HA . . 3.330 2.840 2.512 3.147 . 0 0 "[ . 1 . 2]" 1
762 1 59 PHE QE 1 74 VAL MG2 . . 4.620 2.972 2.592 3.848 . 0 0 "[ . 1 . 2]" 1
763 1 17 GLU H 1 84 ARG HA . . 4.920 4.778 4.645 4.863 . 0 0 "[ . 1 . 2]" 1
764 1 36 HIS HB2 1 113 GLU H . . 4.680 3.671 3.387 3.963 . 0 0 "[ . 1 . 2]" 1
765 1 37 TYR HA 1 112 VAL MG2 . . 4.650 3.480 3.159 3.851 . 0 0 "[ . 1 . 2]" 1
766 1 37 TYR HA 1 112 VAL MG1 . . 4.650 4.331 4.157 4.551 . 0 0 "[ . 1 . 2]" 1
767 1 37 TYR HA 1 113 GLU H . . 4.100 3.962 3.805 4.069 . 0 0 "[ . 1 . 2]" 1
768 1 16 TYR HB2 1 86 THR H . . 4.870 3.917 3.640 4.270 . 0 0 "[ . 1 . 2]" 1
769 1 16 TYR HB3 1 86 THR H . . 4.870 2.940 2.623 3.393 . 0 0 "[ . 1 . 2]" 1
770 1 16 TYR HB3 1 85 LEU HA . . 4.900 2.286 1.999 2.612 . 0 0 "[ . 1 . 2]" 1
771 1 16 TYR HB2 1 85 LEU HA . . 4.900 2.429 2.195 2.784 . 0 0 "[ . 1 . 2]" 1
772 1 38 THR HA 1 49 SER HA . . 3.780 2.700 2.484 2.881 . 0 0 "[ . 1 . 2]" 1
773 1 37 TYR QD 1 38 THR HA . . 4.300 3.996 3.880 4.083 . 0 0 "[ . 1 . 2]" 1
774 1 38 THR HB 1 111 GLU HB2 . . 4.610 2.156 1.988 2.616 . 0 0 "[ . 1 . 2]" 1
775 1 38 THR HB 1 111 GLU HB3 . . 4.620 2.373 2.262 2.541 . 0 0 "[ . 1 . 2]" 1
776 1 38 THR HB 1 40 TRP HH2 . . 4.260 3.826 3.503 3.902 . 0 0 "[ . 1 . 2]" 1
777 1 38 THR HB 1 39 GLY H . . 4.290 4.191 4.152 4.215 . 0 0 "[ . 1 . 2]" 1
778 1 38 THR HA 1 38 THR MG . . 3.250 2.037 1.984 2.122 . 0 0 "[ . 1 . 2]" 1
779 1 38 THR MG 1 49 SER HB3 . . 3.990 3.112 2.207 4.016 0.026 16 0 "[ . 1 . 2]" 1
780 1 66 VAL MG1 1 70 TRP HB3 . . 4.170 3.003 2.923 3.074 . 0 0 "[ . 1 . 2]" 1
781 1 66 VAL MG1 1 70 TRP HB2 . . 5.170 3.550 3.469 3.647 . 0 0 "[ . 1 . 2]" 1
782 1 38 THR MG 1 49 SER HA . . 4.180 2.869 2.630 3.002 . 0 0 "[ . 1 . 2]" 1
783 1 66 VAL MG1 1 71 ASP HA . . 5.210 5.059 4.794 5.214 0.004 6 0 "[ . 1 . 2]" 1
784 1 38 THR MG 1 39 GLY HA2 . . 4.930 4.784 4.712 4.875 . 0 0 "[ . 1 . 2]" 1
785 1 38 THR MG 1 46 LYS QG . . 3.440 2.574 2.410 2.771 . 0 0 "[ . 1 . 2]" 1
786 1 39 GLY HA3 1 40 TRP HA . . 4.410 4.377 4.362 4.387 . 0 0 "[ . 1 . 2]" 1
787 1 40 TRP HA 1 46 LYS QG . . 4.530 3.803 3.509 4.203 . 0 0 "[ . 1 . 2]" 1
788 1 40 TRP HB3 1 109 VAL HB . . 4.250 3.151 2.982 3.456 . 0 0 "[ . 1 . 2]" 1
789 1 40 TRP HB2 1 109 VAL MG2 . . 5.000 3.906 3.725 4.017 . 0 0 "[ . 1 . 2]" 1
790 1 40 TRP HB2 1 109 VAL HB . . 3.940 2.323 2.243 2.437 . 0 0 "[ . 1 . 2]" 1
791 1 38 THR HA 1 46 LYS QG . . 4.460 4.206 4.020 4.391 . 0 0 "[ . 1 . 2]" 1
792 1 41 LEU MD1 1 47 PHE QE . . 4.740 4.340 2.863 4.813 0.073 15 0 "[ . 1 . 2]" 1
793 1 41 LEU HA 1 42 THR HA . . 4.640 4.308 4.298 4.334 . 0 0 "[ . 1 . 2]" 1
794 1 42 THR HA 1 42 THR MG . . 2.950 2.447 2.425 2.489 . 0 0 "[ . 1 . 2]" 1
795 1 10 THR HA 1 10 THR MG . . 3.480 2.416 2.301 2.536 . 0 0 "[ . 1 . 2]" 1
796 1 9 THR HA 1 10 THR MG . . 4.420 3.550 3.235 3.769 . 0 0 "[ . 1 . 2]" 1
797 1 26 GLU HA 1 78 LYS H . . 4.730 4.352 4.190 4.555 . 0 0 "[ . 1 . 2]" 1
798 1 38 THR MG 1 46 LYS QD . . 4.030 2.370 1.933 4.034 0.004 18 0 "[ . 1 . 2]" 1
799 1 66 VAL HB 1 70 TRP HB3 . . 3.980 2.546 2.402 2.652 . 0 0 "[ . 1 . 2]" 1
800 1 59 PHE HB2 1 66 VAL MG1 . . 5.000 4.244 4.007 4.439 . 0 0 "[ . 1 . 2]" 1
801 1 47 PHE QD 1 48 ASP HB2 . . 3.950 2.281 1.981 3.627 . 0 0 "[ . 1 . 2]" 1
802 1 38 THR MG 1 49 SER HB2 . . 3.990 3.574 2.455 4.023 0.033 8 0 "[ . 1 . 2]" 1
803 1 37 TYR QE 1 50 SER HA . . 4.910 4.301 3.745 4.856 . 0 0 "[ . 1 . 2]" 1
804 1 60 VAL HA 1 62 GLY H . . 5.500 5.460 5.268 5.544 0.044 18 0 "[ . 1 . 2]" 1
805 1 60 VAL HA 1 60 VAL MG1 . . 3.660 2.424 2.239 3.183 . 0 0 "[ . 1 . 2]" 1
806 1 32 THR HA 1 60 VAL HA . . 3.550 1.980 1.955 1.991 . 0 0 "[ . 1 . 2]" 1
807 1 51 LYS HA 1 55 ASP H . . 4.490 3.549 3.088 4.178 . 0 0 "[ . 1 . 2]" 1
808 1 71 ASP H 1 71 ASP HB3 . . 3.730 2.794 2.280 3.592 . 0 0 "[ . 1 . 2]" 1
809 1 53 ARG HA 1 53 ARG QG . . 3.730 2.759 2.338 3.343 . 0 0 "[ . 1 . 2]" 1
810 1 27 ALA MB 1 74 VAL HB . . 4.620 4.280 3.960 4.646 0.026 11 0 "[ . 1 . 2]" 1
811 1 25 ALA MB 1 79 VAL HB . . 4.530 3.984 3.376 4.499 . 0 0 "[ . 1 . 2]" 1
812 1 89 PRO HB2 1 106 ALA MB . . 5.080 4.906 4.727 5.103 0.023 19 0 "[ . 1 . 2]" 1
813 1 53 ARG HB2 1 55 ASP H . . 4.940 4.126 3.014 4.946 0.006 5 0 "[ . 1 . 2]" 1
814 1 84 ARG HB3 1 84 ARG QD . . 3.830 2.815 2.509 3.345 . 0 0 "[ . 1 . 2]" 1
815 1 54 ASN HA 1 55 ASP H . . 3.550 2.841 2.712 2.933 . 0 0 "[ . 1 . 2]" 1
816 1 93 TYR HB3 1 102 ILE MG . . 4.600 3.657 2.810 4.131 . 0 0 "[ . 1 . 2]" 1
817 1 54 ASN HB3 1 55 ASP H . . 4.690 4.379 4.100 4.566 . 0 0 "[ . 1 . 2]" 1
818 1 54 ASN HB2 1 55 ASP H . . 4.690 4.299 4.080 4.585 . 0 0 "[ . 1 . 2]" 1
819 1 93 TYR HB3 1 94 GLY H . . 4.950 3.331 3.052 3.574 . 0 0 "[ . 1 . 2]" 1
820 1 55 ASP HA 1 56 PRO QG . . 4.310 3.884 3.851 3.907 . 0 0 "[ . 1 . 2]" 1
821 1 55 ASP HA 1 56 PRO HD2 . . 3.270 2.035 1.992 2.065 . 0 0 "[ . 1 . 2]" 1
822 1 55 ASP HA 1 56 PRO HD3 . . 3.270 2.844 2.770 2.893 . 0 0 "[ . 1 . 2]" 1
823 1 53 ARG QD 1 54 ASN H . . 5.240 5.033 4.397 5.252 0.012 20 0 "[ . 1 . 2]" 1
824 1 32 THR MG 1 58 ALA HA . . 4.550 4.218 3.867 4.501 . 0 0 "[ . 1 . 2]" 1
825 1 35 VAL MG1 1 58 ALA HA . . 5.500 4.585 4.208 4.778 . 0 0 "[ . 1 . 2]" 1
826 1 34 SER HA 1 58 ALA HA . . 3.320 1.987 1.971 1.997 . 0 0 "[ . 1 . 2]" 1
827 1 35 VAL H 1 58 ALA HA . . 4.060 3.122 2.968 3.329 . 0 0 "[ . 1 . 2]" 1
828 1 34 SER HA 1 58 ALA MB . . 3.700 2.696 2.447 2.899 . 0 0 "[ . 1 . 2]" 1
829 1 58 ALA MB 1 59 PHE H . . 3.500 3.090 2.996 3.231 . 0 0 "[ . 1 . 2]" 1
830 1 34 SER HB2 1 58 ALA MB . . 4.570 3.833 3.266 3.993 . 0 0 "[ . 1 . 2]" 1
831 1 59 PHE HB3 1 66 VAL MG1 . . 5.000 4.081 3.783 4.269 . 0 0 "[ . 1 . 2]" 1
832 1 82 VAL HA 1 82 VAL MG2 . . 3.270 2.411 2.371 2.470 . 0 0 "[ . 1 . 2]" 1
833 1 109 VAL HA 1 109 VAL MG1 . . 3.650 2.353 2.246 2.400 . 0 0 "[ . 1 . 2]" 1
834 1 82 VAL MG2 1 83 ARG H . . 4.260 4.029 3.947 4.155 . 0 0 "[ . 1 . 2]" 1
835 1 47 PHE QE 1 109 VAL HB . . 5.500 5.429 4.985 5.526 0.026 19 0 "[ . 1 . 2]" 1
836 1 57 PHE QD 1 65 MET QB . . 5.500 5.176 4.704 5.555 0.055 11 0 "[ . 1 . 2]" 1
837 1 65 MET QB 1 66 VAL MG1 . . 4.710 3.344 2.879 3.982 . 0 0 "[ . 1 . 2]" 1
838 1 66 VAL HA 1 66 VAL MG2 . . 3.570 3.191 3.183 3.199 . 0 0 "[ . 1 . 2]" 1
839 1 66 VAL HA 1 66 VAL MG1 . . 3.170 2.389 2.324 2.428 . 0 0 "[ . 1 . 2]" 1
840 1 102 ILE HA 1 102 ILE HG12 . . 3.540 2.626 2.522 2.748 . 0 0 "[ . 1 . 2]" 1
841 1 96 ARG HA 1 96 ARG QG . . 3.640 2.453 2.124 3.342 . 0 0 "[ . 1 . 2]" 1
842 1 102 ILE HA 1 102 ILE HG13 . . 3.540 3.046 2.790 3.185 . 0 0 "[ . 1 . 2]" 1
843 1 102 ILE HA 1 102 ILE MG . . 3.560 2.296 2.242 2.378 . 0 0 "[ . 1 . 2]" 1
844 1 59 PHE HZ 1 66 VAL HB . . 5.020 4.468 4.136 4.780 . 0 0 "[ . 1 . 2]" 1
845 1 66 VAL MG2 1 70 TRP HB2 . . 3.770 2.388 2.064 2.679 . 0 0 "[ . 1 . 2]" 1
846 1 66 VAL MG2 1 71 ASP HB3 . . 4.390 3.953 3.648 4.182 . 0 0 "[ . 1 . 2]" 1
847 1 66 VAL MG2 1 71 ASP HB2 . . 4.390 3.104 2.549 4.126 . 0 0 "[ . 1 . 2]" 1
848 1 66 VAL MG2 1 70 TRP HE3 . . 4.030 3.619 3.456 3.931 . 0 0 "[ . 1 . 2]" 1
849 1 66 VAL MG2 1 67 ILE HB . . 5.220 5.136 5.018 5.230 0.010 13 0 "[ . 1 . 2]" 1
850 1 67 ILE HB 1 92 GLY HA2 . . 5.500 5.414 5.127 5.516 0.016 1 0 "[ . 1 . 2]" 1
851 1 67 ILE HB 1 68 LYS HA . . 4.740 4.635 4.610 4.687 . 0 0 "[ . 1 . 2]" 1
852 1 66 VAL MG2 1 67 ILE MG . . 4.620 4.549 4.491 4.594 . 0 0 "[ . 1 . 2]" 1
853 1 67 ILE MD 1 67 ILE MG . . 3.290 1.839 1.836 1.852 . 0 0 "[ . 1 . 2]" 1
854 1 67 ILE HA 1 67 ILE MG . . 3.380 2.244 2.238 2.252 . 0 0 "[ . 1 . 2]" 1
855 1 66 VAL HA 1 67 ILE MG . . 4.020 3.802 3.785 3.826 . 0 0 "[ . 1 . 2]" 1
856 1 67 ILE HB 1 67 ILE MD . . 3.660 3.175 3.172 3.177 . 0 0 "[ . 1 . 2]" 1
857 1 66 VAL MG2 1 67 ILE MD . . 4.140 4.050 3.961 4.134 . 0 0 "[ . 1 . 2]" 1
858 1 66 VAL HA 1 67 ILE MD . . 3.790 2.801 2.690 2.931 . 0 0 "[ . 1 . 2]" 1
859 1 67 ILE MD 1 70 TRP HE3 . . 4.700 4.304 3.960 4.541 . 0 0 "[ . 1 . 2]" 1
860 1 67 ILE MD 1 70 TRP H . . 4.170 3.810 3.751 3.858 . 0 0 "[ . 1 . 2]" 1
861 1 66 VAL MG2 1 67 ILE HA . . 4.760 3.734 3.640 3.846 . 0 0 "[ . 1 . 2]" 1
862 1 68 LYS HA 1 68 LYS QG . . 3.800 2.547 2.141 3.285 . 0 0 "[ . 1 . 2]" 1
863 1 68 LYS HA 1 68 LYS QD . . 4.420 2.811 2.027 4.375 . 0 0 "[ . 1 . 2]" 1
864 1 14 LEU HG 1 69 GLY HA2 . . 4.990 3.662 2.085 4.330 . 0 0 "[ . 1 . 2]" 1
865 1 14 LEU HG 1 69 GLY HA3 . . 5.370 4.122 2.555 4.933 . 0 0 "[ . 1 . 2]" 1
866 1 14 LEU MD2 1 69 GLY HA3 . . 4.100 2.655 2.291 3.144 . 0 0 "[ . 1 . 2]" 1
867 1 14 LEU MD1 1 69 GLY HA3 . . 4.100 2.778 2.040 4.152 0.052 16 0 "[ . 1 . 2]" 1
868 1 69 GLY HA3 1 87 ILE MD . . 3.670 3.381 2.715 3.680 0.010 4 0 "[ . 1 . 2]" 1
869 1 69 GLY HA3 1 85 LEU MD2 . . 4.200 2.076 1.881 3.033 . 0 0 "[ . 1 . 2]" 1
870 1 14 LEU MD1 1 69 GLY HA2 . . 4.110 2.387 1.939 3.237 . 0 0 "[ . 1 . 2]" 1
871 1 69 GLY HA2 1 70 TRP HD1 . . 4.780 4.780 4.669 4.824 0.044 5 0 "[ . 1 . 2]" 1
872 1 69 GLY HA3 1 70 TRP HD1 . . 5.200 3.397 3.285 3.448 . 0 0 "[ . 1 . 2]" 1
873 1 70 TRP HA 1 85 LEU MD1 . . 4.400 2.875 2.060 3.827 . 0 0 "[ . 1 . 2]" 1
874 1 70 TRP HA 1 85 LEU MD2 . . 4.400 3.377 2.548 4.403 0.003 10 0 "[ . 1 . 2]" 1
875 1 66 VAL MG2 1 70 TRP HB3 . . 3.680 2.897 2.568 3.312 . 0 0 "[ . 1 . 2]" 1
876 1 67 ILE QG 1 70 TRP HB2 . . 4.390 2.577 2.352 2.721 . 0 0 "[ . 1 . 2]" 1
877 1 67 ILE QG 1 70 TRP HB3 . . 4.910 4.024 3.819 4.156 . 0 0 "[ . 1 . 2]" 1
878 1 71 ASP HB3 1 72 GLU H . . 4.180 2.804 2.354 3.744 . 0 0 "[ . 1 . 2]" 1
879 1 72 GLU HA 1 72 GLU HG2 . . 3.870 3.384 2.410 3.776 . 0 0 "[ . 1 . 2]" 1
880 1 72 GLU HA 1 72 GLU HG3 . . 3.870 2.986 2.457 3.661 . 0 0 "[ . 1 . 2]" 1
881 1 74 VAL HA 1 74 VAL MG1 . . 3.590 2.546 2.242 3.202 . 0 0 "[ . 1 . 2]" 1
882 1 74 VAL HA 1 74 VAL MG2 . . 3.590 2.335 2.277 2.416 . 0 0 "[ . 1 . 2]" 1
883 1 74 VAL HA 1 77 MET QG . . 4.140 3.479 2.053 4.189 0.049 15 0 "[ . 1 . 2]" 1
884 1 27 ALA MB 1 75 GLN HA . . 3.710 3.419 3.135 3.733 0.023 4 0 "[ . 1 . 2]" 1
885 1 28 ARG HA 1 75 GLN HA . . 5.210 4.548 3.653 5.238 0.028 11 0 "[ . 1 . 2]" 1
886 1 75 GLN HA 1 76 GLY HA3 . . 5.500 4.636 4.520 4.845 . 0 0 "[ . 1 . 2]" 1
887 1 77 MET QB 1 114 LEU HB2 . . 4.260 3.256 2.567 3.803 . 0 0 "[ . 1 . 2]" 1
888 1 77 MET QB 1 114 LEU HG . . 5.380 3.370 2.255 5.268 . 0 0 "[ . 1 . 2]" 1
889 1 26 GLU QG 1 76 GLY HA2 . . 3.690 2.635 2.358 2.971 . 0 0 "[ . 1 . 2]" 1
890 1 26 GLU QB 1 76 GLY HA2 . . 4.530 4.324 4.050 4.529 . 0 0 "[ . 1 . 2]" 1
891 1 27 ALA MB 1 76 GLY HA2 . . 5.180 4.989 4.630 5.220 0.040 7 0 "[ . 1 . 2]" 1
892 1 77 MET ME 1 77 MET QG . . 3.370 2.255 2.041 2.513 . 0 0 "[ . 1 . 2]" 1
893 1 74 VAL MG1 1 77 MET QG . . 5.500 4.971 3.444 5.582 0.082 11 0 "[ . 1 . 2]" 1
894 1 74 VAL MG2 1 77 MET QG . . 5.500 4.556 3.686 5.370 . 0 0 "[ . 1 . 2]" 1
895 1 77 MET QG 1 114 LEU MD2 . . 5.500 3.194 1.858 4.730 . 0 0 "[ . 1 . 2]" 1
896 1 113 GLU HA 1 113 GLU HG2 . . 4.250 3.642 2.586 3.901 . 0 0 "[ . 1 . 2]" 1
897 1 77 MET HA 1 77 MET ME . . 4.370 3.971 3.320 4.284 . 0 0 "[ . 1 . 2]" 1
898 1 77 MET ME 1 81 GLY HA3 . . 4.790 3.232 2.647 3.803 . 0 0 "[ . 1 . 2]" 1
899 1 77 MET ME 1 82 VAL HA . . 3.720 2.565 1.959 3.620 . 0 0 "[ . 1 . 2]" 1
900 1 77 MET ME 1 81 GLY HA2 . . 4.790 4.202 3.516 4.833 0.043 20 0 "[ . 1 . 2]" 1
901 1 77 MET ME 1 82 VAL MG2 . . 5.150 4.044 3.623 4.830 . 0 0 "[ . 1 . 2]" 1
902 1 77 MET ME 1 82 VAL MG1 . . 5.500 3.897 3.506 4.714 . 0 0 "[ . 1 . 2]" 1
903 1 77 MET ME 1 114 LEU HB2 . . 3.420 2.770 1.998 3.429 0.009 10 0 "[ . 1 . 2]" 1
904 1 77 MET ME 1 114 LEU HA . . 5.280 4.121 3.192 5.027 . 0 0 "[ . 1 . 2]" 1
905 1 77 MET ME 1 78 LYS H . . 4.380 3.868 3.244 4.343 . 0 0 "[ . 1 . 2]" 1
906 1 77 MET ME 1 83 ARG H . . 3.580 2.633 2.093 3.599 0.019 7 0 "[ . 1 . 2]" 1
907 1 77 MET ME 1 81 GLY H . . 4.250 3.959 3.636 4.291 0.041 15 0 "[ . 1 . 2]" 1
908 1 66 VAL HB 1 70 TRP HB2 . . 4.630 2.080 1.986 2.160 . 0 0 "[ . 1 . 2]" 1
909 1 26 GLU QG 1 78 LYS HG2 . . 4.380 3.845 2.674 4.398 0.018 6 0 "[ . 1 . 2]" 1
910 1 14 LEU MD2 1 69 GLY HA2 . . 4.110 2.279 1.944 2.558 . 0 0 "[ . 1 . 2]" 1
911 1 79 VAL HA 1 114 LEU HG . . 4.290 3.240 1.996 4.293 0.003 7 0 "[ . 1 . 2]" 1
912 1 79 VAL HA 1 114 LEU HB3 . . 4.230 2.097 1.977 3.106 . 0 0 "[ . 1 . 2]" 1
913 1 79 VAL HA 1 79 VAL MG2 . . 3.520 2.353 2.238 2.431 . 0 0 "[ . 1 . 2]" 1
914 1 79 VAL MG2 1 117 VAL MG2 . . 3.380 2.492 1.881 3.150 . 0 0 "[ . 1 . 2]" 1
915 1 25 ALA MB 1 79 VAL MG2 . . 3.110 2.552 1.947 3.051 . 0 0 "[ . 1 . 2]" 1
916 1 24 GLY HA2 1 79 VAL MG2 . . 4.780 4.600 4.243 4.775 . 0 0 "[ . 1 . 2]" 1
917 1 24 GLY HA3 1 79 VAL MG2 . . 4.560 3.331 2.908 3.493 . 0 0 "[ . 1 . 2]" 1
918 1 79 VAL MG2 1 116 ASP HA . . 3.570 2.287 2.025 2.549 . 0 0 "[ . 1 . 2]" 1
919 1 78 LYS HA 1 79 VAL MG2 . . 4.650 3.751 3.613 3.879 . 0 0 "[ . 1 . 2]" 1
920 1 25 ALA H 1 79 VAL MG2 . . 3.950 2.157 1.914 2.502 . 0 0 "[ . 1 . 2]" 1
921 1 79 VAL HA 1 79 VAL MG1 . . 3.450 2.333 2.308 2.369 . 0 0 "[ . 1 . 2]" 1
922 1 29 ALA MB 1 62 GLY HA3 . . 4.850 4.004 3.389 4.412 . 0 0 "[ . 1 . 2]" 1
923 1 82 VAL HA 1 82 VAL MG1 . . 3.600 2.341 2.217 2.396 . 0 0 "[ . 1 . 2]" 1
924 1 20 THR HB 1 82 VAL MG2 . . 3.310 2.467 1.963 3.180 . 0 0 "[ . 1 . 2]" 1
925 1 83 ARG HA 1 83 ARG QG . . 3.910 2.398 2.224 2.932 . 0 0 "[ . 1 . 2]" 1
926 1 19 LEU QB 1 83 ARG HA . . 3.950 2.403 1.995 2.920 . 0 0 "[ . 1 . 2]" 1
927 1 77 MET ME 1 83 ARG QD . . 5.310 4.217 3.142 5.075 . 0 0 "[ . 1 . 2]" 1
928 1 84 ARG HA 1 84 ARG QG . . 3.560 2.223 2.099 2.410 . 0 0 "[ . 1 . 2]" 1
929 1 84 ARG HA 1 84 ARG QD . . 5.040 3.606 2.813 4.080 . 0 0 "[ . 1 . 2]" 1
930 1 40 TRP HE3 1 84 ARG QG . . 4.320 3.841 3.011 4.294 . 0 0 "[ . 1 . 2]" 1
931 1 19 LEU MD2 1 84 ARG QD . . 4.990 2.921 1.860 3.630 . 0 0 "[ . 1 . 2]" 1
932 1 29 ALA H 1 61 LEU MD2 . . 5.500 3.253 2.305 4.553 . 0 0 "[ . 1 . 2]" 1
933 1 72 GLU H 1 85 LEU MD1 . . 5.500 5.042 4.712 5.516 0.016 19 0 "[ . 1 . 2]" 1
934 1 15 LYS QB 1 86 THR HB . . 3.350 3.027 2.535 3.408 0.058 15 0 "[ . 1 . 2]" 1
935 1 86 THR HA 1 86 THR MG . . 3.370 2.235 2.071 2.382 . 0 0 "[ . 1 . 2]" 1
936 1 35 VAL H 1 58 ALA MB . . 4.990 4.073 3.831 4.268 . 0 0 "[ . 1 . 2]" 1
937 1 15 LYS QE 1 86 THR MG . . 4.660 4.082 2.494 4.702 0.042 14 0 "[ . 1 . 2]" 1
938 1 15 LYS QB 1 86 THR MG . . 4.040 3.834 3.144 4.058 0.018 20 0 "[ . 1 . 2]" 1
939 1 87 ILE MG 1 91 LEU QB . . 3.690 2.503 1.983 2.942 . 0 0 "[ . 1 . 2]" 1
940 1 69 GLY HA3 1 87 ILE MG . . 4.480 4.386 4.210 4.496 0.016 7 0 "[ . 1 . 2]" 1
941 1 14 LEU HA 1 87 ILE MG . . 4.140 3.814 3.000 4.153 0.013 2 0 "[ . 1 . 2]" 1
942 1 87 ILE MG 1 92 GLY HA3 . . 4.040 2.988 2.475 3.871 . 0 0 "[ . 1 . 2]" 1
943 1 87 ILE HA 1 87 ILE MG . . 3.700 2.137 1.910 2.253 . 0 0 "[ . 1 . 2]" 1
944 1 70 TRP H 1 87 ILE MG . . 5.500 5.563 5.516 5.590 0.090 4 0 "[ . 1 . 2]" 1
945 1 69 GLY H 1 87 ILE MG . . 4.490 4.166 3.953 4.305 . 0 0 "[ . 1 . 2]" 1
946 1 87 ILE H 1 87 ILE MG . . 4.770 3.888 3.823 3.919 . 0 0 "[ . 1 . 2]" 1
947 1 67 ILE MD 1 87 ILE MG . . 4.770 4.172 3.870 4.456 . 0 0 "[ . 1 . 2]" 1
948 1 89 PRO QG 1 90 GLN HA . . 5.120 4.229 4.084 4.344 . 0 0 "[ . 1 . 2]" 1
949 1 90 GLN QG 1 91 LEU QB . . 4.280 3.293 2.472 4.294 0.014 20 0 "[ . 1 . 2]" 1
950 1 19 LEU H 1 19 LEU HG . . 4.760 3.921 3.469 4.775 0.015 9 0 "[ . 1 . 2]" 1
951 1 87 ILE HB 1 92 GLY HA3 . . 3.920 3.622 3.209 3.918 . 0 0 "[ . 1 . 2]" 1
952 1 92 GLY HA2 1 108 LEU MD2 . . 5.110 3.871 3.329 4.452 . 0 0 "[ . 1 . 2]" 1
953 1 87 ILE MG 1 92 GLY HA2 . . 4.290 2.700 2.268 3.407 . 0 0 "[ . 1 . 2]" 1
954 1 87 ILE MD 1 92 GLY HA2 . . 4.950 3.855 3.285 4.148 . 0 0 "[ . 1 . 2]" 1
955 1 67 ILE MD 1 92 GLY HA2 . . 5.070 4.870 4.174 5.077 0.007 4 0 "[ . 1 . 2]" 1
956 1 67 ILE MG 1 92 GLY HA2 . . 4.390 3.583 3.421 3.712 . 0 0 "[ . 1 . 2]" 1
957 1 67 ILE MG 1 92 GLY HA3 . . 4.950 4.962 4.867 5.044 0.094 7 0 "[ . 1 . 2]" 1
958 1 93 TYR HB2 1 102 ILE MG . . 4.600 2.994 2.494 3.347 . 0 0 "[ . 1 . 2]" 1
959 1 95 ALA HA 1 105 ASN H . . 3.960 3.786 3.047 3.999 0.039 7 0 "[ . 1 . 2]" 1
960 1 95 ALA MB 1 105 ASN H . . 5.120 4.934 4.267 5.127 0.007 10 0 "[ . 1 . 2]" 1
961 1 89 PRO QG 1 91 LEU H . . 5.070 4.767 4.543 4.985 . 0 0 "[ . 1 . 2]" 1
962 1 84 ARG HB2 1 84 ARG QD . . 3.830 2.144 1.974 2.531 . 0 0 "[ . 1 . 2]" 1
963 1 92 GLY HA2 1 108 LEU MD1 . . 5.110 4.569 4.176 4.915 . 0 0 "[ . 1 . 2]" 1
964 1 98 ALA MB 1 102 ILE HB . . 3.460 1.991 1.913 2.105 . 0 0 "[ . 1 . 2]" 1
965 1 98 ALA MB 1 102 ILE MD . . 3.520 2.743 2.350 3.206 . 0 0 "[ . 1 . 2]" 1
966 1 98 ALA MB 1 101 VAL HB . . 5.160 3.663 2.391 5.161 0.001 13 0 "[ . 1 . 2]" 1
967 1 101 VAL HA 1 101 VAL MG1 . . 3.650 2.411 2.203 3.201 . 0 0 "[ . 1 . 2]" 1
968 1 101 VAL HA 1 101 VAL MG2 . . 3.650 2.442 2.281 3.183 . 0 0 "[ . 1 . 2]" 1
969 1 79 VAL MG1 1 116 ASP H . . 4.900 3.955 3.754 4.342 . 0 0 "[ . 1 . 2]" 1
970 1 60 VAL MG2 1 61 LEU H . . 4.120 3.840 2.357 4.110 . 0 0 "[ . 1 . 2]" 1
971 1 35 VAL HA 1 114 LEU MD2 . . 5.340 4.252 3.517 5.443 0.103 10 0 "[ . 1 . 2]" 1
972 1 60 VAL HA 1 60 VAL MG2 . . 3.660 2.943 2.321 3.203 . 0 0 "[ . 1 . 2]" 1
973 1 40 TRP HB2 1 109 VAL MG1 . . 5.000 3.161 2.981 3.405 . 0 0 "[ . 1 . 2]" 1
974 1 97 GLY HA2 1 102 ILE MG . . 4.700 3.567 3.155 4.076 . 0 0 "[ . 1 . 2]" 1
975 1 97 GLY HA3 1 102 ILE MG . . 4.700 4.131 3.320 4.705 0.005 14 0 "[ . 1 . 2]" 1
976 1 102 ILE MG 1 107 THR HA . . 5.500 5.497 5.336 5.541 0.041 20 0 "[ . 1 . 2]" 1
977 1 102 ILE MD 1 102 ILE MG . . 3.170 2.039 1.921 2.228 . 0 0 "[ . 1 . 2]" 1
978 1 101 VAL HB 1 102 ILE MD . . 5.100 4.102 3.635 5.143 0.043 7 0 "[ . 1 . 2]" 1
979 1 102 ILE HA 1 102 ILE MD . . 4.150 3.867 3.821 3.890 . 0 0 "[ . 1 . 2]" 1
980 1 89 PRO HB2 1 105 ASN HA . . 3.600 3.058 2.437 3.517 . 0 0 "[ . 1 . 2]" 1
981 1 89 PRO QG 1 105 ASN HA . . 4.010 2.317 2.035 2.709 . 0 0 "[ . 1 . 2]" 1
982 1 89 PRO QG 1 105 ASN HB3 . . 4.830 4.215 3.728 4.555 . 0 0 "[ . 1 . 2]" 1
983 1 89 PRO QG 1 105 ASN HB2 . . 4.830 4.616 4.020 4.843 0.013 7 0 "[ . 1 . 2]" 1
984 1 106 ALA MB 1 107 THR H . . 3.580 3.200 3.067 3.337 . 0 0 "[ . 1 . 2]" 1
985 1 102 ILE MG 1 106 ALA MB . . 3.390 3.333 3.182 3.396 0.006 13 0 "[ . 1 . 2]" 1
986 1 42 THR MG 1 107 THR HB . . 3.440 3.037 2.525 3.424 . 0 0 "[ . 1 . 2]" 1
987 1 42 THR HB 1 107 THR HB . . 5.180 4.603 4.384 4.977 . 0 0 "[ . 1 . 2]" 1
988 1 106 ALA HA 1 107 THR HB . . 5.500 4.610 4.559 4.721 . 0 0 "[ . 1 . 2]" 1
989 1 42 THR HB 1 107 THR MG . . 5.500 5.509 5.434 5.545 0.045 19 0 "[ . 1 . 2]" 1
990 1 89 PRO HA 1 107 THR MG . . 5.500 5.389 5.160 5.509 0.009 6 0 "[ . 1 . 2]" 1
991 1 106 ALA HA 1 107 THR MG . . 5.500 5.472 5.459 5.477 . 0 0 "[ . 1 . 2]" 1
992 1 107 THR HA 1 107 THR MG . . 3.520 2.348 2.251 2.447 . 0 0 "[ . 1 . 2]" 1
993 1 109 VAL HA 1 109 VAL MG2 . . 3.650 2.344 2.275 2.423 . 0 0 "[ . 1 . 2]" 1
994 1 86 THR HA 1 109 VAL HA . . 3.780 2.305 2.061 2.401 . 0 0 "[ . 1 . 2]" 1
995 1 40 TRP H 1 109 VAL HB . . 4.490 3.811 3.532 3.925 . 0 0 "[ . 1 . 2]" 1
996 1 109 VAL HB 1 110 PHE HA . . 5.410 4.719 4.580 4.817 . 0 0 "[ . 1 . 2]" 1
997 1 40 TRP H 1 110 PHE HA . . 4.480 3.760 3.656 3.868 . 0 0 "[ . 1 . 2]" 1
998 1 84 ARG HA 1 111 GLU HA . . 3.560 2.570 2.170 2.719 . 0 0 "[ . 1 . 2]" 1
999 1 82 VAL MG1 1 111 GLU HA . . 5.500 4.386 3.911 4.679 . 0 0 "[ . 1 . 2]" 1
1000 1 40 TRP HH2 1 111 GLU HB3 . . 4.340 4.014 3.839 4.073 . 0 0 "[ . 1 . 2]" 1
1001 1 40 TRP HZ3 1 111 GLU HB3 . . 4.080 3.711 3.526 3.801 . 0 0 "[ . 1 . 2]" 1
1002 1 111 GLU HB2 1 112 VAL H . . 5.060 4.556 4.511 4.589 . 0 0 "[ . 1 . 2]" 1
1003 1 111 GLU HB3 1 112 VAL H . . 4.450 4.075 3.941 4.226 . 0 0 "[ . 1 . 2]" 1
1004 1 84 ARG QG 1 111 GLU HG3 . . 4.350 3.664 1.979 4.362 0.012 12 0 "[ . 1 . 2]" 1
1005 1 84 ARG QG 1 111 GLU HG2 . . 4.350 3.659 2.923 4.355 0.005 1 0 "[ . 1 . 2]" 1
1006 1 111 GLU HA 1 112 VAL HB . . 4.860 4.682 4.579 4.778 . 0 0 "[ . 1 . 2]" 1
1007 1 83 ARG H 1 112 VAL HB . . 4.830 3.596 3.115 4.104 . 0 0 "[ . 1 . 2]" 1
1008 1 37 TYR HB3 1 112 VAL MG2 . . 4.980 3.674 3.061 4.029 . 0 0 "[ . 1 . 2]" 1
1009 1 37 TYR HB3 1 112 VAL MG1 . . 4.980 4.533 4.219 4.914 . 0 0 "[ . 1 . 2]" 1
1010 1 35 VAL HA 1 114 LEU MD1 . . 5.340 3.731 2.917 5.384 0.044 7 0 "[ . 1 . 2]" 1
1011 1 8 VAL MG1 1 16 TYR H . . 5.050 3.032 1.938 4.270 . 0 0 "[ . 1 . 2]" 1
1012 1 77 MET ME 1 113 GLU HA . . 3.840 2.767 2.055 3.508 . 0 0 "[ . 1 . 2]" 1
1013 1 82 VAL MG2 1 113 GLU HA . . 3.920 3.156 2.718 3.540 . 0 0 "[ . 1 . 2]" 1
1014 1 82 VAL MG1 1 113 GLU HA . . 4.330 3.454 3.247 3.771 . 0 0 "[ . 1 . 2]" 1
1015 1 82 VAL HA 1 113 GLU HA . . 3.460 2.413 2.216 2.569 . 0 0 "[ . 1 . 2]" 1
1016 1 83 ARG H 1 113 GLU HA . . 4.120 3.589 3.207 3.835 . 0 0 "[ . 1 . 2]" 1
1017 1 113 GLU HA 1 113 GLU HG3 . . 4.250 3.238 2.523 3.913 . 0 0 "[ . 1 . 2]" 1
1018 1 77 MET QB 1 114 LEU H . . 4.650 4.294 3.878 4.854 0.204 15 0 "[ . 1 . 2]" 1
1019 1 115 LEU QB 1 116 ASP HB2 . . 5.350 3.521 3.206 4.802 . 0 0 "[ . 1 . 2]" 1
1020 1 115 LEU QB 1 116 ASP HB3 . . 5.350 3.995 3.331 4.811 . 0 0 "[ . 1 . 2]" 1
1021 1 25 ALA MB 1 117 VAL HB . . 4.780 4.217 2.999 4.760 . 0 0 "[ . 1 . 2]" 1
1022 1 79 VAL MG2 1 117 VAL HB . . 4.850 4.155 3.718 4.482 . 0 0 "[ . 1 . 2]" 1
1023 1 116 ASP HA 1 117 VAL MG1 . . 4.680 3.527 3.383 3.758 . 0 0 "[ . 1 . 2]" 1
1024 1 116 ASP HA 1 117 VAL MG2 . . 4.680 3.867 3.617 4.100 . 0 0 "[ . 1 . 2]" 1
1025 1 33 VAL MG1 1 61 LEU H . . 4.650 4.005 3.658 4.373 . 0 0 "[ . 1 . 2]" 1
1026 1 25 ALA MB 1 117 VAL MG2 . . 3.440 2.326 1.808 2.737 . 0 0 "[ . 1 . 2]" 1
1027 1 79 VAL MG2 1 117 VAL MG1 . . 3.380 1.920 1.762 2.204 . 0 0 "[ . 1 . 2]" 1
1028 1 84 ARG QG 1 112 VAL H . . 5.160 4.970 4.450 5.195 0.035 15 0 "[ . 1 . 2]" 1
1029 1 14 LEU MD1 1 15 LYS H . . 4.550 2.926 2.437 3.959 . 0 0 "[ . 1 . 2]" 1
1030 1 41 LEU HG 1 47 PHE H . . 5.500 4.796 3.858 5.596 0.096 20 0 "[ . 1 . 2]" 1
1031 1 19 LEU MD1 1 84 ARG QD . . 4.990 2.723 1.822 3.952 . 0 0 "[ . 1 . 2]" 1
1032 1 14 LEU HA 1 15 LYS QB . . 5.430 4.430 4.147 4.523 . 0 0 "[ . 1 . 2]" 1
1033 1 14 LEU HB3 1 87 ILE MG . . 4.870 2.917 2.416 3.447 . 0 0 "[ . 1 . 2]" 1
1034 1 14 LEU HB2 1 87 ILE MG . . 4.870 2.879 2.118 3.211 . 0 0 "[ . 1 . 2]" 1
1035 1 26 GLU QG 1 78 LYS HA . . 4.740 3.845 3.403 4.103 . 0 0 "[ . 1 . 2]" 1
1036 1 26 GLU QB 1 78 LYS QE . . 4.650 2.647 1.983 3.749 . 0 0 "[ . 1 . 2]" 1
1037 1 31 GLN HB3 1 33 VAL MG1 . . 4.780 3.418 3.010 4.470 . 0 0 "[ . 1 . 2]" 1
1038 1 31 GLN HB2 1 33 VAL MG1 . . 4.780 4.335 3.935 4.586 . 0 0 "[ . 1 . 2]" 1
1039 1 31 GLN HB3 1 32 THR H . . 4.430 4.163 4.076 4.272 . 0 0 "[ . 1 . 2]" 1
1040 1 31 GLN HA 1 31 GLN HG3 . . 4.070 2.692 2.448 3.593 . 0 0 "[ . 1 . 2]" 1
1041 1 31 GLN HG3 1 61 LEU H . . 5.500 5.386 4.394 5.518 0.018 8 0 "[ . 1 . 2]" 1
1042 1 31 GLN HG2 1 61 LEU H . . 5.500 4.970 3.804 5.236 . 0 0 "[ . 1 . 2]" 1
1043 1 77 MET QG 1 114 LEU MD1 . . 5.500 4.604 1.893 5.537 0.037 16 0 "[ . 1 . 2]" 1
1044 1 66 VAL MG2 1 67 ILE QG . . 4.140 3.967 3.757 4.157 0.017 6 0 "[ . 1 . 2]" 1
1045 1 19 LEU QB 1 82 VAL HB . . 4.620 2.338 1.974 2.695 . 0 0 "[ . 1 . 2]" 1
1046 1 18 ASP HA 1 84 ARG H . . 3.930 3.563 3.199 3.890 . 0 0 "[ . 1 . 2]" 1
1047 1 18 ASP HA 1 83 ARG QG . . 4.290 2.242 1.953 3.926 . 0 0 "[ . 1 . 2]" 1
1048 1 16 TYR HA 1 83 ARG QG . . 5.500 4.901 4.386 5.581 0.081 4 0 "[ . 1 . 2]" 1
1049 1 16 TYR HA 1 16 TYR QD . . 4.040 3.734 3.724 3.742 . 0 0 "[ . 1 . 2]" 1
1050 1 19 LEU HG 1 84 ARG QD . . 3.820 3.530 2.851 3.871 0.051 8 0 "[ . 1 . 2]" 1
1051 1 61 LEU H 1 61 LEU MD1 . . 4.780 4.114 3.925 4.254 . 0 0 "[ . 1 . 2]" 1
1052 1 69 GLY HA3 1 85 LEU MD1 . . 4.200 2.823 2.022 3.813 . 0 0 "[ . 1 . 2]" 1
1053 1 59 PHE HA 1 65 MET ME . . 4.730 4.181 3.430 4.737 0.007 7 0 "[ . 1 . 2]" 1
1054 1 60 VAL H 1 65 MET ME . . 5.120 4.781 3.344 5.135 0.015 6 0 "[ . 1 . 2]" 1
1055 1 65 MET ME 1 66 VAL MG1 . . 4.750 4.167 3.475 4.751 0.001 18 0 "[ . 1 . 2]" 1
1056 1 79 VAL HA 1 115 LEU H . . 4.920 4.465 4.273 4.880 . 0 0 "[ . 1 . 2]" 1
1057 1 57 PHE HA 1 57 PHE QD . . 3.500 3.057 3.001 3.072 . 0 0 "[ . 1 . 2]" 1
1058 1 37 TYR HB3 1 70 TRP HZ2 . . 3.660 2.846 2.573 3.015 . 0 0 "[ . 1 . 2]" 1
1059 1 93 TYR HA 1 93 TYR QD . . 3.630 2.782 2.609 3.032 . 0 0 "[ . 1 . 2]" 1
1060 1 93 TYR HA 1 93 TYR QE . . 4.520 4.441 4.361 4.558 0.038 18 0 "[ . 1 . 2]" 1
1061 1 37 TYR QD 1 70 TRP HZ2 . . 3.670 3.620 3.461 3.704 0.034 12 0 "[ . 1 . 2]" 1
1062 1 37 TYR HA 1 37 TYR QD . . 3.810 3.736 3.729 3.742 . 0 0 "[ . 1 . 2]" 1
1063 1 41 LEU HA 1 47 PHE QD . . 3.600 3.355 3.149 3.618 0.018 15 0 "[ . 1 . 2]" 1
1064 1 47 PHE QE 1 108 LEU HA . . 4.200 3.763 3.410 4.000 . 0 0 "[ . 1 . 2]" 1
1065 1 57 PHE HA 1 57 PHE QE . . 4.750 4.545 4.521 4.559 . 0 0 "[ . 1 . 2]" 1
1066 1 57 PHE QD 1 59 PHE QD . . 2.950 2.139 1.996 2.299 . 0 0 "[ . 1 . 2]" 1
1067 1 110 PHE HA 1 110 PHE QD . . 3.650 2.429 2.312 2.536 . 0 0 "[ . 1 . 2]" 1
1068 1 37 TYR QD 1 57 PHE QD . . 3.740 3.359 3.156 3.612 . 0 0 "[ . 1 . 2]" 1
1069 1 40 TRP HB3 1 40 TRP HE3 . . 3.990 3.598 3.568 3.687 . 0 0 "[ . 1 . 2]" 1
1070 1 40 TRP HE3 1 84 ARG QD . . 4.340 3.993 2.526 4.416 0.076 17 0 "[ . 1 . 2]" 1
1071 1 40 TRP HZ3 1 84 ARG QD . . 4.460 3.321 1.957 4.193 . 0 0 "[ . 1 . 2]" 1
1072 1 36 HIS HA 1 37 TYR QD . . 4.070 3.455 3.293 3.553 . 0 0 "[ . 1 . 2]" 1
1073 1 37 TYR QE 1 49 SER HA . . 5.040 4.917 4.483 5.048 0.008 18 0 "[ . 1 . 2]" 1
1074 1 37 TYR QE 1 50 SER QB . . 3.910 3.007 2.586 3.654 . 0 0 "[ . 1 . 2]" 1
1075 1 37 TYR QD 1 50 SER QB . . 4.430 3.468 2.836 4.036 . 0 0 "[ . 1 . 2]" 1
1076 1 37 TYR QE 1 57 PHE HB3 . . 3.800 3.772 3.700 3.832 0.032 18 0 "[ . 1 . 2]" 1
1077 1 14 LEU HG 1 16 TYR QE . . 5.500 4.703 4.288 5.536 0.036 17 0 "[ . 1 . 2]" 1
1078 1 8 VAL MG1 1 16 TYR QE . . 3.600 2.728 2.163 3.063 . 0 0 "[ . 1 . 2]" 1
1079 1 8 VAL MG2 1 16 TYR QE . . 3.600 3.366 2.852 3.603 0.003 9 0 "[ . 1 . 2]" 1
1080 1 14 LEU MD1 1 16 TYR QE . . 4.160 3.556 3.319 4.004 . 0 0 "[ . 1 . 2]" 1
1081 1 10 THR MG 1 16 TYR QE . . 2.880 2.239 1.958 2.610 . 0 0 "[ . 1 . 2]" 1
1082 1 14 LEU MD2 1 16 TYR QE . . 4.160 3.965 3.198 4.235 0.075 5 0 "[ . 1 . 2]" 1
1083 1 16 TYR QE 1 83 ARG QG . . 4.550 4.195 3.904 4.539 . 0 0 "[ . 1 . 2]" 1
1084 1 37 TYR QD 1 57 PHE HB3 . . 3.970 3.028 2.906 3.193 . 0 0 "[ . 1 . 2]" 1
1085 1 37 TYR QD 1 57 PHE HB2 . . 3.980 2.189 2.069 2.385 . 0 0 "[ . 1 . 2]" 1
1086 1 37 TYR QE 1 57 PHE HB2 . . 3.420 2.046 1.995 2.116 . 0 0 "[ . 1 . 2]" 1
1087 1 16 TYR QE 1 69 GLY HA2 . . 5.220 4.374 3.663 5.220 . 0 0 "[ . 1 . 2]" 1
1088 1 37 TYR QE 1 38 THR HA . . 5.500 5.440 5.327 5.520 0.020 11 0 "[ . 1 . 2]" 1
1089 1 37 TYR QD 1 49 SER HA . . 4.730 4.668 4.122 4.761 0.031 12 0 "[ . 1 . 2]" 1
1090 1 37 TYR QE 1 57 PHE HA . . 4.250 3.775 3.641 4.011 . 0 0 "[ . 1 . 2]" 1
1091 1 37 TYR QD 1 57 PHE HA . . 5.050 4.759 4.622 4.969 . 0 0 "[ . 1 . 2]" 1
1092 1 9 THR HA 1 16 TYR QE . . 5.500 5.319 4.829 5.510 0.010 11 0 "[ . 1 . 2]" 1
1093 1 16 TYR QE 1 18 ASP HA . . 5.500 5.495 5.248 5.561 0.061 1 0 "[ . 1 . 2]" 1
1094 1 37 TYR QD 1 70 TRP HH2 . . 3.680 2.604 2.529 2.696 . 0 0 "[ . 1 . 2]" 1
1095 1 36 HIS HA 1 37 TYR QE . . 4.840 4.722 4.591 4.829 . 0 0 "[ . 1 . 2]" 1
1096 1 37 TYR QE 1 70 TRP HH2 . . 3.880 3.642 3.561 3.753 . 0 0 "[ . 1 . 2]" 1
1097 1 37 TYR QE 1 70 TRP HZ3 . . 4.630 4.635 4.539 4.664 0.034 15 0 "[ . 1 . 2]" 1
1098 1 37 TYR QE 1 57 PHE QD . . 3.480 2.053 1.998 2.128 . 0 0 "[ . 1 . 2]" 1
1099 1 37 TYR QD 1 110 PHE QD . . 3.510 3.093 2.754 3.522 0.012 10 0 "[ . 1 . 2]" 1
1100 1 37 TYR QD 1 110 PHE HZ . . 4.940 4.030 3.734 4.456 . 0 0 "[ . 1 . 2]" 1
1101 1 37 TYR QE 1 110 PHE HZ . . 5.330 4.621 4.286 5.181 . 0 0 "[ . 1 . 2]" 1
1102 1 53 ARG H 1 55 ASP H . . 4.350 3.264 3.092 3.472 . 0 0 "[ . 1 . 2]" 1
1103 1 36 HIS HD2 1 51 LYS HB3 . . 5.500 3.996 3.390 4.547 . 0 0 "[ . 1 . 2]" 1
1104 1 36 HIS HD2 1 56 PRO HB3 . . 5.500 3.571 3.084 3.953 . 0 0 "[ . 1 . 2]" 1
1105 1 36 HIS HD2 1 115 LEU QB . . 4.230 4.229 4.049 4.351 0.121 13 0 "[ . 1 . 2]" 1
1106 1 93 TYR QD 1 102 ILE HB . . 4.660 3.556 2.691 4.163 . 0 0 "[ . 1 . 2]" 1
1107 1 93 TYR QE 1 102 ILE MG . . 3.960 3.419 3.175 3.655 . 0 0 "[ . 1 . 2]" 1
1108 1 93 TYR QD 1 102 ILE MG . . 3.120 2.987 2.357 3.123 0.003 18 0 "[ . 1 . 2]" 1
1109 1 93 TYR QE 1 102 ILE MD . . 2.990 2.485 2.201 2.826 . 0 0 "[ . 1 . 2]" 1
1110 1 47 PHE QD 1 102 ILE MD . . 3.830 2.972 2.582 3.533 . 0 0 "[ . 1 . 2]" 1
1111 1 93 TYR QD 1 102 ILE MD . . 4.110 3.584 3.246 4.099 . 0 0 "[ . 1 . 2]" 1
1112 1 57 PHE HB3 1 70 TRP HE3 . . 4.890 4.767 4.584 4.888 . 0 0 "[ . 1 . 2]" 1
1113 1 47 PHE QD 1 48 ASP HB3 . . 3.950 3.455 1.959 4.022 0.072 20 0 "[ . 1 . 2]" 1
1114 1 41 LEU HG 1 47 PHE QD . . 4.070 2.206 1.972 4.078 0.008 20 0 "[ . 1 . 2]" 1
1115 1 93 TYR QE 1 108 LEU HG . . 5.410 5.340 3.990 5.430 0.020 7 0 "[ . 1 . 2]" 1
1116 1 93 TYR QD 1 98 ALA MB . . 3.310 2.767 2.305 3.301 . 0 0 "[ . 1 . 2]" 1
1117 1 93 TYR QE 1 98 ALA MB . . 3.110 2.044 1.885 2.503 . 0 0 "[ . 1 . 2]" 1
1118 1 93 TYR QE 1 110 PHE HZ . . 4.410 3.961 3.390 4.413 0.003 2 0 "[ . 1 . 2]" 1
1119 1 47 PHE HZ 1 110 PHE HZ . . 3.830 3.698 2.783 3.849 0.019 17 0 "[ . 1 . 2]" 1
1120 1 47 PHE QE 1 110 PHE HZ . . 3.330 2.713 2.034 3.112 . 0 0 "[ . 1 . 2]" 1
1121 1 59 PHE HZ 1 70 TRP HE3 . . 3.920 3.608 3.322 3.922 0.002 16 0 "[ . 1 . 2]" 1
1122 1 37 TYR QE 1 57 PHE QE . . 4.270 4.271 4.230 4.317 0.047 13 0 "[ . 1 . 2]" 1
1123 1 39 GLY HA2 1 110 PHE QD . . 4.300 2.759 2.607 3.024 . 0 0 "[ . 1 . 2]" 1
1124 1 39 GLY HA2 1 47 PHE HZ . . 5.090 3.425 3.024 3.656 . 0 0 "[ . 1 . 2]" 1
1125 1 59 PHE HZ 1 61 LEU HA . . 4.680 4.226 4.027 4.442 . 0 0 "[ . 1 . 2]" 1
1126 1 57 PHE HB3 1 59 PHE QE . . 4.260 4.215 4.007 4.285 0.025 11 0 "[ . 1 . 2]" 1
1127 1 59 PHE HZ 1 70 TRP HB2 . . 4.880 4.704 4.574 4.877 . 0 0 "[ . 1 . 2]" 1
1128 1 39 GLY HA3 1 47 PHE HZ . . 4.330 3.190 2.707 3.365 . 0 0 "[ . 1 . 2]" 1
1129 1 39 GLY HA3 1 47 PHE QE . . 3.870 2.961 2.583 3.371 . 0 0 "[ . 1 . 2]" 1
1130 1 47 PHE QE 1 108 LEU HB3 . . 4.280 3.931 3.116 4.237 . 0 0 "[ . 1 . 2]" 1
1131 1 87 ILE QG 1 110 PHE QD . . 4.590 3.402 3.091 3.821 . 0 0 "[ . 1 . 2]" 1
1132 1 47 PHE HZ 1 108 LEU HB3 . . 4.720 3.847 3.425 4.152 . 0 0 "[ . 1 . 2]" 1
1133 1 47 PHE HZ 1 108 LEU HG . . 5.170 5.083 3.468 5.210 0.040 5 0 "[ . 1 . 2]" 1
1134 1 59 PHE QE 1 66 VAL HB . . 5.100 4.602 4.385 4.761 . 0 0 "[ . 1 . 2]" 1
1135 1 42 THR MG 1 47 PHE QE . . 5.500 5.530 5.430 5.763 0.263 18 0 "[ . 1 . 2]" 1
1136 1 41 LEU MD2 1 47 PHE QD . . 3.700 3.276 1.850 3.709 0.009 19 0 "[ . 1 . 2]" 1
1137 1 41 LEU MD2 1 47 PHE QE . . 4.740 3.606 2.360 4.412 . 0 0 "[ . 1 . 2]" 1
1138 1 41 LEU MD1 1 47 PHE QD . . 3.700 2.816 1.873 3.439 . 0 0 "[ . 1 . 2]" 1
1139 1 36 HIS HD2 1 115 LEU MD2 . . 4.030 1.952 1.904 2.105 . 0 0 "[ . 1 . 2]" 1
1140 1 47 PHE HZ 1 102 ILE MG . . 5.020 4.356 4.100 4.738 . 0 0 "[ . 1 . 2]" 1
1141 1 36 HIS HD2 1 115 LEU MD1 . . 4.030 2.227 1.972 2.509 . 0 0 "[ . 1 . 2]" 1
1142 1 47 PHE HZ 1 102 ILE MD . . 3.880 3.082 2.677 3.706 . 0 0 "[ . 1 . 2]" 1
1143 1 59 PHE HZ 1 66 VAL MG1 . . 4.060 2.870 2.632 3.204 . 0 0 "[ . 1 . 2]" 1
1144 1 47 PHE QE 1 102 ILE MD . . 3.480 2.595 2.263 2.928 . 0 0 "[ . 1 . 2]" 1
1145 1 40 TRP HZ3 1 110 PHE HA . . 5.500 5.535 5.507 5.614 0.114 8 0 "[ . 1 . 2]" 1
1146 1 47 PHE HZ 1 110 PHE HA . . 5.500 5.356 4.764 5.537 0.037 15 0 "[ . 1 . 2]" 1
1147 1 40 TRP HA 1 47 PHE QE . . 4.290 3.584 3.279 3.867 . 0 0 "[ . 1 . 2]" 1
1148 1 40 TRP HA 1 47 PHE QD . . 3.660 3.556 3.244 3.668 0.008 17 0 "[ . 1 . 2]" 1
1149 1 47 PHE HZ 1 108 LEU HA . . 5.500 4.552 4.250 4.899 . 0 0 "[ . 1 . 2]" 1
1150 1 41 LEU HA 1 47 PHE QE . . 4.220 2.699 2.489 3.516 . 0 0 "[ . 1 . 2]" 1
1151 1 47 PHE QE 1 48 ASP HB3 . . 4.150 3.468 2.446 3.913 . 0 0 "[ . 1 . 2]" 1
1152 1 59 PHE HZ 1 70 TRP HB3 . . 4.240 3.312 3.190 3.519 . 0 0 "[ . 1 . 2]" 1
1153 1 59 PHE HZ 1 74 VAL HB . . 4.240 3.610 2.570 3.895 . 0 0 "[ . 1 . 2]" 1
1154 1 47 PHE QE 1 48 ASP HB2 . . 4.150 2.676 2.341 4.258 0.108 15 0 "[ . 1 . 2]" 1
1155 1 47 PHE QE 1 108 LEU HB2 . . 4.280 3.221 2.524 3.476 . 0 0 "[ . 1 . 2]" 1
1156 1 47 PHE HZ 1 108 LEU HB2 . . 4.720 2.621 2.384 2.814 . 0 0 "[ . 1 . 2]" 1
1157 1 47 PHE HZ 1 108 LEU MD2 . . 4.770 4.225 3.190 4.785 0.015 11 0 "[ . 1 . 2]" 1
1158 1 47 PHE HZ 1 108 LEU MD1 . . 4.770 3.085 2.625 4.694 . 0 0 "[ . 1 . 2]" 1
1159 1 59 PHE HZ 1 66 VAL MG2 . . 3.740 3.138 2.851 3.413 . 0 0 "[ . 1 . 2]" 1
1160 1 51 LYS QD 1 53 ARG H . . 4.700 4.560 4.251 4.712 0.012 16 0 "[ . 1 . 2]" 1
1161 1 57 PHE QE 1 59 PHE QD . . 3.640 3.379 3.246 3.535 . 0 0 "[ . 1 . 2]" 1
1162 1 39 GLY HA2 1 47 PHE QD . . 5.500 5.115 4.681 5.452 . 0 0 "[ . 1 . 2]" 1
1163 1 57 PHE QE 1 59 PHE HA . . 5.500 5.012 4.898 5.110 . 0 0 "[ . 1 . 2]" 1
1164 1 57 PHE QD 1 59 PHE HA . . 5.080 5.088 5.030 5.118 0.038 13 0 "[ . 1 . 2]" 1
1165 1 92 GLY HA3 1 93 TYR QD . . 4.780 3.535 3.183 3.851 . 0 0 "[ . 1 . 2]" 1
1166 1 57 PHE QD 1 65 MET ME . . 4.760 4.484 3.438 4.741 . 0 0 "[ . 1 . 2]" 1
1167 1 51 LYS HB3 1 52 ASP H . . 4.280 4.066 3.912 4.219 . 0 0 "[ . 1 . 2]" 1
1168 1 40 TRP HD1 1 46 LYS QD . . 5.260 4.512 3.854 5.188 . 0 0 "[ . 1 . 2]" 1
1169 1 57 PHE QD 1 58 ALA MB . . 5.240 4.668 4.554 4.792 . 0 0 "[ . 1 . 2]" 1
1170 1 40 TRP HZ2 1 46 LYS QG . . 4.580 4.309 3.938 4.579 . 0 0 "[ . 1 . 2]" 1
1171 1 67 ILE H 1 67 ILE MD . . 3.580 2.138 2.029 2.236 . 0 0 "[ . 1 . 2]" 1
1172 1 57 PHE QE 1 66 VAL MG1 . . 2.980 2.871 2.494 2.997 0.017 14 0 "[ . 1 . 2]" 1
1173 1 38 THR MG 1 40 TRP HZ2 . . 3.500 2.934 2.609 3.135 . 0 0 "[ . 1 . 2]" 1
1174 1 57 PHE QD 1 66 VAL MG1 . . 3.990 3.698 3.388 3.828 . 0 0 "[ . 1 . 2]" 1
1175 1 57 PHE QD 1 70 TRP HE3 . . 4.560 4.442 4.141 4.567 0.007 20 0 "[ . 1 . 2]" 1
1176 1 57 PHE QD 1 70 TRP HZ3 . . 3.410 3.097 2.940 3.244 . 0 0 "[ . 1 . 2]" 1
1177 1 57 PHE QE 1 70 TRP HZ3 . . 3.980 3.759 3.526 3.984 0.004 20 0 "[ . 1 . 2]" 1
1178 1 57 PHE QD 1 58 ALA HA . . 4.850 3.898 3.768 4.047 . 0 0 "[ . 1 . 2]" 1
1179 1 57 PHE QD 1 70 TRP HH2 . . 4.000 3.344 3.002 3.770 . 0 0 "[ . 1 . 2]" 1
1180 1 57 PHE QE 1 70 TRP HH2 . . 4.760 4.352 4.022 4.711 . 0 0 "[ . 1 . 2]" 1
1181 1 40 TRP HA 1 40 TRP HD1 . . 3.510 2.173 2.138 2.289 . 0 0 "[ . 1 . 2]" 1
1182 1 40 TRP HD1 1 45 GLN HA . . 3.900 3.903 3.782 3.938 0.038 18 0 "[ . 1 . 2]" 1
1183 1 40 TRP HD1 1 46 LYS HA . . 3.240 2.020 1.973 2.176 . 0 0 "[ . 1 . 2]" 1
1184 1 40 TRP HB3 1 40 TRP HD1 . . 3.600 3.160 3.084 3.185 . 0 0 "[ . 1 . 2]" 1
1185 1 67 ILE H 1 70 TRP HB2 . . 3.990 2.157 1.984 2.249 . 0 0 "[ . 1 . 2]" 1
1186 1 57 PHE HZ 1 65 MET QB . . 4.940 2.529 1.955 3.306 . 0 0 "[ . 1 . 2]" 1
1187 1 96 ARG QG 1 97 GLY H . . 4.910 3.849 2.235 4.807 . 0 0 "[ . 1 . 2]" 1
1188 1 66 VAL HB 1 71 ASP H . . 4.910 4.126 3.873 4.393 . 0 0 "[ . 1 . 2]" 1
1189 1 40 TRP HD1 1 46 LYS QG . . 3.650 3.009 2.672 3.614 . 0 0 "[ . 1 . 2]" 1
1190 1 67 ILE QG 1 71 ASP H . . 4.330 4.139 4.016 4.220 . 0 0 "[ . 1 . 2]" 1
1191 1 57 PHE QD 1 59 PHE QE . . 3.690 3.599 3.367 3.707 0.017 18 0 "[ . 1 . 2]" 1
1192 1 58 ALA HA 1 59 PHE QE . . 5.440 4.921 4.711 5.198 . 0 0 "[ . 1 . 2]" 1
1193 1 34 SER HA 1 59 PHE QD . . 4.840 4.548 4.370 4.763 . 0 0 "[ . 1 . 2]" 1
1194 1 39 GLY HA2 1 47 PHE QE . . 4.440 3.826 3.443 4.087 . 0 0 "[ . 1 . 2]" 1
1195 1 59 PHE QE 1 71 ASP HA . . 4.920 4.011 3.799 4.582 . 0 0 "[ . 1 . 2]" 1
1196 1 59 PHE QE 1 61 LEU HA . . 3.220 2.991 2.631 3.102 . 0 0 "[ . 1 . 2]" 1
1197 1 52 ASP HA 1 53 ARG H . . 3.520 3.453 3.405 3.507 . 0 0 "[ . 1 . 2]" 1
1198 1 59 PHE QE 1 74 VAL HB . . 4.510 4.340 3.527 4.528 0.018 2 0 "[ . 1 . 2]" 1
1199 1 47 PHE QE 1 102 ILE MG . . 4.850 4.247 3.962 4.547 . 0 0 "[ . 1 . 2]" 1
1200 1 59 PHE QD 1 66 VAL MG1 . . 3.410 3.265 3.089 3.433 0.023 5 0 "[ . 1 . 2]" 1
1201 1 59 PHE QE 1 66 VAL MG1 . . 3.810 2.850 2.649 3.018 . 0 0 "[ . 1 . 2]" 1
1202 1 59 PHE QE 1 70 TRP HE3 . . 3.800 3.335 3.256 3.449 . 0 0 "[ . 1 . 2]" 1
1203 1 59 PHE QE 1 70 TRP HZ3 . . 4.500 4.108 3.939 4.312 . 0 0 "[ . 1 . 2]" 1
1204 1 59 PHE QE 1 70 TRP HB2 . . 5.360 5.183 5.066 5.335 . 0 0 "[ . 1 . 2]" 1
1205 1 59 PHE QE 1 70 TRP HB3 . . 4.110 4.118 4.070 4.144 0.034 6 0 "[ . 1 . 2]" 1
1206 1 35 VAL MG2 1 59 PHE QE . . 3.380 2.464 2.252 2.643 . 0 0 "[ . 1 . 2]" 1
1207 1 35 VAL MG1 1 59 PHE QE . . 3.380 3.370 3.187 3.401 0.021 17 0 "[ . 1 . 2]" 1
1208 1 59 PHE QE 1 74 VAL MG1 . . 4.620 3.536 2.796 3.780 . 0 0 "[ . 1 . 2]" 1
1209 1 59 PHE QE 1 66 VAL MG2 . . 3.200 2.551 2.328 2.732 . 0 0 "[ . 1 . 2]" 1
1210 1 59 PHE QD 1 66 VAL MG2 . . 3.990 3.868 3.552 4.008 0.018 14 0 "[ . 1 . 2]" 1
1211 1 67 ILE H 1 70 TRP H . . 3.550 3.361 3.216 3.480 . 0 0 "[ . 1 . 2]" 1
1212 1 70 TRP HZ2 1 110 PHE HZ . . 5.170 4.858 4.645 5.196 0.026 8 0 "[ . 1 . 2]" 1
1213 1 70 TRP HD1 1 110 PHE QD . . 5.420 5.338 5.118 5.452 0.032 8 0 "[ . 1 . 2]" 1
1214 1 70 TRP HZ2 1 110 PHE QD . . 3.820 3.770 3.636 3.858 0.038 12 0 "[ . 1 . 2]" 1
1215 1 31 GLN H 1 61 LEU HB2 . . 5.230 4.249 3.055 4.790 . 0 0 "[ . 1 . 2]" 1
1216 1 67 ILE MG 1 70 TRP H . . 5.240 4.723 4.674 4.774 . 0 0 "[ . 1 . 2]" 1
1217 1 102 ILE MD 1 110 PHE HZ . . 5.460 4.187 3.651 4.620 . 0 0 "[ . 1 . 2]" 1
1218 1 67 ILE H 1 70 TRP HD1 . . 4.600 3.948 3.787 4.122 . 0 0 "[ . 1 . 2]" 1
1219 1 37 TYR HA 1 110 PHE QD . . 4.370 3.849 3.675 4.088 . 0 0 "[ . 1 . 2]" 1
1220 1 70 TRP HH2 1 110 PHE QD . . 5.500 5.464 5.249 5.538 0.038 6 0 "[ . 1 . 2]" 1
1221 1 37 TYR HB2 1 110 PHE QD . . 3.730 2.578 2.417 2.723 . 0 0 "[ . 1 . 2]" 1
1222 1 67 ILE H 1 70 TRP HB3 . . 3.860 3.617 3.400 3.717 . 0 0 "[ . 1 . 2]" 1
1223 1 31 GLN H 1 61 LEU HB3 . . 3.590 3.088 2.742 3.517 . 0 0 "[ . 1 . 2]" 1
1224 1 70 TRP H 1 87 ILE MD . . 5.140 3.961 3.676 4.219 . 0 0 "[ . 1 . 2]" 1
1225 1 87 ILE MD 1 110 PHE QD . . 3.330 2.693 2.051 3.287 . 0 0 "[ . 1 . 2]" 1
1226 1 59 PHE QE 1 61 LEU H . . 5.070 5.038 4.713 5.108 0.038 11 0 "[ . 1 . 2]" 1
1227 1 57 PHE H 1 70 TRP HZ3 . . 5.500 5.482 5.278 5.521 0.021 15 0 "[ . 1 . 2]" 1
1228 1 93 TYR QE 1 99 GLY H . . 4.970 4.963 4.803 5.006 0.036 18 0 "[ . 1 . 2]" 1
1229 1 40 TRP HE3 1 110 PHE HA . . 4.560 4.370 4.303 4.584 0.024 15 0 "[ . 1 . 2]" 1
1230 1 37 TYR QD 1 70 TRP HZ3 . . 4.120 3.656 3.543 3.779 . 0 0 "[ . 1 . 2]" 1
1231 1 38 THR HB 1 40 TRP HZ3 . . 3.840 3.791 3.511 3.885 0.045 19 0 "[ . 1 . 2]" 1
1232 1 67 ILE MD 1 110 PHE QD . . 4.320 4.307 4.202 4.360 0.040 17 0 "[ . 1 . 2]" 1
1233 1 40 TRP HE3 1 111 GLU HB3 . . 5.500 5.094 4.836 5.208 . 0 0 "[ . 1 . 2]" 1
1234 1 40 TRP HA 1 40 TRP HE3 . . 5.470 5.054 5.009 5.079 . 0 0 "[ . 1 . 2]" 1
1235 1 40 TRP HE3 1 109 VAL HA . . 5.500 5.424 5.318 5.534 0.034 19 0 "[ . 1 . 2]" 1
1236 1 40 TRP HZ3 1 111 GLU HA . . 4.450 3.990 3.766 4.155 . 0 0 "[ . 1 . 2]" 1
1237 1 38 THR HB 1 40 TRP HE3 . . 4.600 4.221 4.076 4.306 . 0 0 "[ . 1 . 2]" 1
1238 1 38 THR HB 1 40 TRP HZ2 . . 4.280 4.282 4.093 4.308 0.028 9 0 "[ . 1 . 2]" 1
1239 1 40 TRP HB2 1 40 TRP HE3 . . 3.560 2.453 2.419 2.466 . 0 0 "[ . 1 . 2]" 1
1240 1 40 TRP HE3 1 111 GLU HB2 . . 4.220 3.361 3.214 3.479 . 0 0 "[ . 1 . 2]" 1
1241 1 40 TRP HZ2 1 111 GLU HB2 . . 5.090 4.929 4.775 5.140 0.050 8 0 "[ . 1 . 2]" 1
1242 1 40 TRP HH2 1 111 GLU HB2 . . 3.480 3.409 3.325 3.487 0.007 8 0 "[ . 1 . 2]" 1
1243 1 40 TRP HZ3 1 111 GLU HB2 . . 3.360 2.286 2.065 2.391 . 0 0 "[ . 1 . 2]" 1
1244 1 40 TRP HZ3 1 111 GLU HG3 . . 4.210 2.024 1.988 2.223 . 0 0 "[ . 1 . 2]" 1
1245 1 67 ILE H 1 67 ILE HB . . 4.150 3.649 3.625 3.672 . 0 0 "[ . 1 . 2]" 1
1246 1 40 TRP HE3 1 109 VAL HB . . 3.560 3.337 3.142 3.473 . 0 0 "[ . 1 . 2]" 1
1247 1 57 PHE QE 1 65 MET QB . . 3.750 3.220 2.719 3.695 . 0 0 "[ . 1 . 2]" 1
1248 1 57 PHE QE 1 65 MET ME . . 3.840 2.902 2.073 3.353 . 0 0 "[ . 1 . 2]" 1
1249 1 40 TRP HZ3 1 111 GLU HG2 . . 4.210 3.307 2.598 3.746 . 0 0 "[ . 1 . 2]" 1
1250 1 40 TRP HZ3 1 84 ARG QG . . 4.640 3.483 2.475 4.220 . 0 0 "[ . 1 . 2]" 1
1251 1 14 LEU H 1 14 LEU MD1 . . 4.480 3.602 1.859 4.235 . 0 0 "[ . 1 . 2]" 1
1252 1 37 TYR HA 1 70 TRP HZ2 . . 4.900 4.665 4.357 4.838 . 0 0 "[ . 1 . 2]" 1
1253 1 39 GLY HA2 1 110 PHE HA . . 4.170 2.591 2.388 2.695 . 0 0 "[ . 1 . 2]" 1
1254 1 16 TYR HA 1 17 GLU HA . . 4.570 4.503 4.462 4.530 . 0 0 "[ . 1 . 2]" 1
1255 1 37 TYR HA 1 112 VAL HA . . 3.480 2.841 2.639 2.987 . 0 0 "[ . 1 . 2]" 1
1256 1 37 TYR HB2 1 70 TRP HH2 . . 4.760 3.428 3.223 3.589 . 0 0 "[ . 1 . 2]" 1
1257 1 39 GLY HA3 1 110 PHE HA . . 4.380 4.292 4.023 4.413 0.033 10 0 "[ . 1 . 2]" 1
1258 1 70 TRP HD1 1 87 ILE MD . . 3.240 2.922 2.679 3.249 0.009 1 0 "[ . 1 . 2]" 1
1259 1 67 ILE MD 1 70 TRP HD1 . . 3.530 2.970 2.897 3.081 . 0 0 "[ . 1 . 2]" 1
1260 1 66 VAL MG1 1 70 TRP HZ3 . . 3.820 2.967 2.889 3.178 . 0 0 "[ . 1 . 2]" 1
1261 1 66 VAL MG1 1 70 TRP HE3 . . 3.350 1.944 1.916 2.041 . 0 0 "[ . 1 . 2]" 1
1262 1 67 ILE MG 1 70 TRP HD1 . . 5.140 4.881 4.834 4.961 . 0 0 "[ . 1 . 2]" 1
1263 1 66 VAL HA 1 70 TRP HE3 . . 4.260 4.158 3.784 4.314 0.054 7 0 "[ . 1 . 2]" 1
1264 1 38 THR HA 1 110 PHE HA . . 5.500 5.018 4.902 5.116 . 0 0 "[ . 1 . 2]" 1
1265 1 66 VAL HA 1 70 TRP HZ3 . . 5.500 5.019 4.659 5.240 . 0 0 "[ . 1 . 2]" 1
1266 1 70 TRP HA 1 70 TRP HD1 . . 3.260 2.852 2.761 2.925 . 0 0 "[ . 1 . 2]" 1
1267 1 70 TRP HB3 1 70 TRP HE3 . . 3.960 2.476 2.451 2.525 . 0 0 "[ . 1 . 2]" 1
1268 1 37 TYR HB3 1 70 TRP HH2 . . 4.300 2.651 2.458 2.793 . 0 0 "[ . 1 . 2]" 1
1269 1 37 TYR HB2 1 70 TRP HZ2 . . 3.600 2.564 2.329 2.751 . 0 0 "[ . 1 . 2]" 1
1270 1 16 TYR HA 1 17 GLU HB2 . . 4.900 4.185 4.007 4.449 . 0 0 "[ . 1 . 2]" 1
1271 1 70 TRP HD1 1 87 ILE QG . . 4.630 4.403 4.129 4.687 0.057 1 0 "[ . 1 . 2]" 1
1272 1 66 VAL HB 1 70 TRP HZ3 . . 4.760 4.608 4.508 4.743 . 0 0 "[ . 1 . 2]" 1
1273 1 66 VAL HB 1 70 TRP HE3 . . 3.710 2.672 2.501 2.810 . 0 0 "[ . 1 . 2]" 1
1274 1 15 LYS HA 1 15 LYS QD . . 4.870 4.016 3.530 4.461 . 0 0 "[ . 1 . 2]" 1
1275 1 67 ILE QG 1 70 TRP HD1 . . 3.960 2.280 2.216 2.370 . 0 0 "[ . 1 . 2]" 1
1276 1 70 TRP HD1 1 85 LEU MD2 . . 3.990 2.588 1.891 3.999 0.009 19 0 "[ . 1 . 2]" 1
1277 1 70 TRP HD1 1 85 LEU MD1 . . 3.990 3.079 1.908 4.001 0.011 9 0 "[ . 1 . 2]" 1
1278 1 15 LYS HA 1 16 TYR QD . . 4.140 3.600 3.328 3.862 . 0 0 "[ . 1 . 2]" 1
1279 1 59 PHE QD 1 70 TRP HZ3 . . 4.580 4.579 4.531 4.599 0.019 13 0 "[ . 1 . 2]" 1
1280 1 36 HIS HD2 1 51 LYS HB2 . . 5.500 4.640 3.776 5.240 . 0 0 "[ . 1 . 2]" 1
1281 1 36 HIS HD2 1 56 PRO HB2 . . 5.500 5.034 4.564 5.466 . 0 0 "[ . 1 . 2]" 1
1282 1 36 HIS HA 1 36 HIS HE1 . . 4.890 4.485 4.408 4.703 . 0 0 "[ . 1 . 2]" 1
1283 1 36 HIS HA 1 36 HIS HD2 . . 4.740 4.393 4.291 4.489 . 0 0 "[ . 1 . 2]" 1
1284 1 36 HIS HE1 1 55 ASP HA . . 4.850 4.200 3.902 4.432 . 0 0 "[ . 1 . 2]" 1
1285 1 36 HIS HE1 1 54 ASN HA . . 3.380 3.320 3.100 3.410 0.030 16 0 "[ . 1 . 2]" 1
1286 1 36 HIS HE1 1 56 PRO HA . . 3.660 2.785 2.658 2.998 . 0 0 "[ . 1 . 2]" 1
1287 1 36 HIS HE1 1 51 LYS HA . . 3.240 2.547 2.216 2.976 . 0 0 "[ . 1 . 2]" 1
1288 1 36 HIS HE1 1 56 PRO QG . . 4.370 4.202 3.652 4.381 0.011 14 0 "[ . 1 . 2]" 1
1289 1 36 HIS HD2 1 115 LEU HG . . 5.500 3.672 2.459 3.989 . 0 0 "[ . 1 . 2]" 1
1290 1 36 HIS HD2 1 56 PRO HA . . 4.680 4.625 4.360 4.715 0.035 8 0 "[ . 1 . 2]" 1
1291 1 58 ALA HA 1 59 PHE QD . . 3.980 3.237 3.067 3.474 . 0 0 "[ . 1 . 2]" 1
1292 1 59 PHE HA 1 59 PHE QD . . 3.870 3.710 3.696 3.721 . 0 0 "[ . 1 . 2]" 1
1293 1 16 TYR QD 1 83 ARG HA . . 5.500 5.535 5.349 5.578 0.078 4 0 "[ . 1 . 2]" 1
1294 1 16 TYR QD 1 83 ARG QD . . 3.690 2.209 1.948 3.547 . 0 0 "[ . 1 . 2]" 1
1295 1 16 TYR QD 1 83 ARG QG . . 3.780 2.872 2.474 3.559 . 0 0 "[ . 1 . 2]" 1
1296 1 93 TYR QE 1 102 ILE HB . . 4.520 3.341 2.758 4.035 . 0 0 "[ . 1 . 2]" 1
1297 1 10 THR MG 1 16 TYR QD . . 3.470 3.155 2.760 3.478 0.008 10 0 "[ . 1 . 2]" 1
1298 1 14 LEU MD2 1 16 TYR QD . . 4.130 3.382 1.951 3.919 . 0 0 "[ . 1 . 2]" 1
1299 1 74 VAL MG1 1 75 GLN H . . 4.390 3.311 2.130 3.810 . 0 0 "[ . 1 . 2]" 1
1300 1 8 VAL MG2 1 16 TYR QD . . 4.450 4.158 3.516 4.505 0.055 14 0 "[ . 1 . 2]" 1
1301 1 61 LEU MD2 1 75 GLN H . . 4.650 3.494 3.034 4.197 . 0 0 "[ . 1 . 2]" 1
1302 1 16 TYR QD 1 18 ASP HA . . 4.880 4.460 4.251 4.562 . 0 0 "[ . 1 . 2]" 1
1303 1 16 TYR QD 1 85 LEU HA . . 5.180 4.209 3.999 4.508 . 0 0 "[ . 1 . 2]" 1
1304 1 16 TYR HA 1 85 LEU HA . . 3.460 2.665 2.429 2.830 . 0 0 "[ . 1 . 2]" 1
1305 1 16 TYR QD 1 17 GLU HA . . 3.980 3.184 2.996 3.466 . 0 0 "[ . 1 . 2]" 1
1306 1 14 LEU HG 1 16 TYR QD . . 4.540 3.856 3.505 4.483 . 0 0 "[ . 1 . 2]" 1
1307 1 16 TYR QD 1 85 LEU HG . . 4.970 4.176 3.498 4.974 0.004 5 0 "[ . 1 . 2]" 1
1308 1 14 LEU MD1 1 16 TYR QD . . 4.130 2.406 1.888 3.862 . 0 0 "[ . 1 . 2]" 1
1309 1 16 TYR QE 1 83 ARG QD . . 3.870 3.124 2.432 3.897 0.027 14 0 "[ . 1 . 2]" 1
1310 1 5 MET H 1 5 MET QG . . 4.950 2.945 2.088 4.049 . 0 0 "[ . 1 . 2]" 1
1311 1 5 MET QB 1 6 THR H . . 4.340 3.373 1.980 4.045 . 0 0 "[ . 1 . 2]" 1
1312 1 7 VAL H 1 7 VAL QG . . 3.090 2.227 1.920 2.888 . 0 0 "[ . 1 . 2]" 1
1313 1 7 VAL H 1 8 VAL QG . . 5.440 4.900 4.179 5.409 . 0 0 "[ . 1 . 2]" 1
1314 1 7 VAL QG 1 8 VAL H . . 3.460 2.371 1.937 2.716 . 0 0 "[ . 1 . 2]" 1
1315 1 7 VAL QG 1 8 VAL HA . . 4.580 3.614 3.200 3.938 . 0 0 "[ . 1 . 2]" 1
1316 1 7 VAL QG 1 9 THR HA . . 4.770 4.144 3.634 4.757 . 0 0 "[ . 1 . 2]" 1
1317 1 7 VAL QG 1 15 LYS HA . . 4.430 3.775 3.174 4.398 . 0 0 "[ . 1 . 2]" 1
1318 1 7 VAL QG 1 15 LYS QB . . 4.480 2.205 1.849 2.640 . 0 0 "[ . 1 . 2]" 1
1319 1 7 VAL QG 1 15 LYS QE . . 4.070 3.139 1.773 3.843 . 0 0 "[ . 1 . 2]" 1
1320 1 7 VAL QG 1 16 TYR H . . 4.850 3.639 2.524 4.736 . 0 0 "[ . 1 . 2]" 1
1321 1 8 VAL H 1 8 VAL QG . . 3.280 2.320 1.940 2.711 . 0 0 "[ . 1 . 2]" 1
1322 1 8 VAL HA 1 8 VAL QG . . 3.070 2.123 2.047 2.226 . 0 0 "[ . 1 . 2]" 1
1323 1 8 VAL QG 1 9 THR H . . 3.110 2.437 1.903 3.095 . 0 0 "[ . 1 . 2]" 1
1324 1 8 VAL QG 1 9 THR HA . . 4.650 3.611 3.292 4.004 . 0 0 "[ . 1 . 2]" 1
1325 1 8 VAL QG 1 10 THR H . . 4.530 4.122 3.339 4.536 0.006 11 0 "[ . 1 . 2]" 1
1326 1 8 VAL QG 1 10 THR MG . . 3.370 2.992 2.584 3.205 . 0 0 "[ . 1 . 2]" 1
1327 1 8 VAL QG 1 14 LEU QD . . 4.820 4.047 3.436 4.783 . 0 0 "[ . 1 . 2]" 1
1328 1 8 VAL QG 1 15 LYS HA . . 4.920 3.744 2.934 4.593 . 0 0 "[ . 1 . 2]" 1
1329 1 8 VAL QG 1 16 TYR H . . 4.010 2.859 1.936 3.851 . 0 0 "[ . 1 . 2]" 1
1330 1 8 VAL QG 1 16 TYR QB . . 4.600 4.142 3.635 4.598 . 0 0 "[ . 1 . 2]" 1
1331 1 8 VAL QG 1 16 TYR QD . . 3.670 3.144 2.707 3.543 . 0 0 "[ . 1 . 2]" 1
1332 1 8 VAL QG 1 16 TYR QE . . 3.130 2.605 2.146 2.901 . 0 0 "[ . 1 . 2]" 1
1333 1 10 THR H 1 14 LEU QB . . 5.340 5.007 4.762 5.357 0.017 9 0 "[ . 1 . 2]" 1
1334 1 12 SER H 1 12 SER QB . . 3.400 2.552 2.117 2.956 . 0 0 "[ . 1 . 2]" 1
1335 1 12 SER H 1 13 GLY QA . . 4.830 4.421 4.297 4.537 . 0 0 "[ . 1 . 2]" 1
1336 1 12 SER H 1 14 LEU QD . . 4.710 3.895 3.216 4.595 . 0 0 "[ . 1 . 2]" 1
1337 1 12 SER QB 1 13 GLY H . . 3.960 2.880 2.503 3.366 . 0 0 "[ . 1 . 2]" 1
1338 1 12 SER QB 1 14 LEU H . . 4.180 2.935 2.429 3.689 . 0 0 "[ . 1 . 2]" 1
1339 1 12 SER QB 1 91 LEU QD . . 3.690 2.342 1.745 3.665 . 0 0 "[ . 1 . 2]" 1
1340 1 13 GLY H 1 14 LEU QD . . 4.650 3.450 2.420 4.082 . 0 0 "[ . 1 . 2]" 1
1341 1 14 LEU H 1 14 LEU QB . . 3.180 2.231 2.142 2.295 . 0 0 "[ . 1 . 2]" 1
1342 1 14 LEU H 1 14 LEU QD . . 3.220 2.630 1.855 3.169 . 0 0 "[ . 1 . 2]" 1
1343 1 14 LEU HA 1 14 LEU QD . . 4.020 3.283 3.042 3.395 . 0 0 "[ . 1 . 2]" 1
1344 1 14 LEU QB 1 15 LYS H . . 4.390 2.506 2.355 2.749 . 0 0 "[ . 1 . 2]" 1
1345 1 14 LEU QD 1 15 LYS H . . 3.350 2.520 2.337 2.727 . 0 0 "[ . 1 . 2]" 1
1346 1 14 LEU QD 1 15 LYS HA . . 5.150 2.800 2.518 3.032 . 0 0 "[ . 1 . 2]" 1
1347 1 14 LEU QD 1 16 TYR HA . . 4.130 4.134 4.084 4.166 0.036 4 0 "[ . 1 . 2]" 1
1348 1 14 LEU QD 1 16 TYR QB . . 5.000 2.752 2.613 2.942 . 0 0 "[ . 1 . 2]" 1
1349 1 14 LEU QD 1 16 TYR QD . . 3.420 1.950 1.883 2.003 . 0 0 "[ . 1 . 2]" 1
1350 1 14 LEU QD 1 16 TYR QE . . 3.330 3.234 3.070 3.337 0.007 12 0 "[ . 1 . 2]" 1
1351 1 14 LEU QD 1 69 GLY H . . 4.180 2.414 1.899 3.811 . 0 0 "[ . 1 . 2]" 1
1352 1 14 LEU QD 1 69 GLY HA2 . . 3.440 2.034 1.838 2.458 . 0 0 "[ . 1 . 2]" 1
1353 1 14 LEU QD 1 69 GLY HA3 . . 3.350 2.348 1.990 3.049 . 0 0 "[ . 1 . 2]" 1
1354 1 14 LEU QD 1 72 GLU H . . 4.770 4.562 4.375 4.863 0.093 17 0 "[ . 1 . 2]" 1
1355 1 14 LEU QD 1 72 GLU QB . . 3.860 3.338 3.077 3.544 . 0 0 "[ . 1 . 2]" 1
1356 1 14 LEU QD 1 73 GLY H . . 5.440 4.900 4.711 5.067 . 0 0 "[ . 1 . 2]" 1
1357 1 14 LEU QD 1 85 LEU QD . . 3.970 2.122 1.848 2.937 . 0 0 "[ . 1 . 2]" 1
1358 1 14 LEU QD 1 86 THR H . . 4.020 3.294 3.003 3.843 . 0 0 "[ . 1 . 2]" 1
1359 1 15 LYS H 1 15 LYS QG . . 3.950 2.758 2.155 3.427 . 0 0 "[ . 1 . 2]" 1
1360 1 15 LYS HA 1 15 LYS QG . . 3.670 2.763 2.357 3.419 . 0 0 "[ . 1 . 2]" 1
1361 1 15 LYS QG 1 16 TYR H . . 4.630 4.230 3.820 4.409 . 0 0 "[ . 1 . 2]" 1
1362 1 16 TYR H 1 85 LEU QD . . 5.390 4.572 4.376 5.103 . 0 0 "[ . 1 . 2]" 1
1363 1 16 TYR HA 1 17 GLU QB . . 4.110 3.877 3.833 3.914 . 0 0 "[ . 1 . 2]" 1
1364 1 16 TYR HA 1 85 LEU QB . . 5.340 4.757 4.345 4.976 . 0 0 "[ . 1 . 2]" 1
1365 1 16 TYR HA 1 85 LEU QD . . 4.140 3.821 3.457 4.142 0.002 6 0 "[ . 1 . 2]" 1
1366 1 16 TYR QB 1 17 GLU H . . 3.700 2.402 2.342 2.566 . 0 0 "[ . 1 . 2]" 1
1367 1 16 TYR QB 1 85 LEU H . . 5.190 4.280 4.070 4.534 . 0 0 "[ . 1 . 2]" 1
1368 1 16 TYR QB 1 85 LEU HA . . 4.110 2.076 1.920 2.371 . 0 0 "[ . 1 . 2]" 1
1369 1 16 TYR QB 1 85 LEU QB . . 5.180 3.388 2.791 3.853 . 0 0 "[ . 1 . 2]" 1
1370 1 16 TYR QB 1 85 LEU HG . . 3.780 2.746 2.216 3.460 . 0 0 "[ . 1 . 2]" 1
1371 1 16 TYR QB 1 85 LEU QD . . 3.240 1.970 1.812 2.340 . 0 0 "[ . 1 . 2]" 1
1372 1 16 TYR QB 1 86 THR H . . 4.160 2.857 2.567 3.269 . 0 0 "[ . 1 . 2]" 1
1373 1 16 TYR QD 1 17 GLU QG . . 5.340 5.130 4.863 5.341 0.001 20 0 "[ . 1 . 2]" 1
1374 1 16 TYR QD 1 18 ASP QB . . 5.340 4.811 4.253 5.342 0.002 5 0 "[ . 1 . 2]" 1
1375 1 16 TYR QD 1 72 GLU QG . . 4.600 4.278 3.818 4.644 0.044 8 0 "[ . 1 . 2]" 1
1376 1 16 TYR QD 1 85 LEU QD . . 3.840 2.741 2.238 3.447 . 0 0 "[ . 1 . 2]" 1
1377 1 16 TYR QE 1 72 GLU QG . . 4.370 2.418 1.986 3.423 . 0 0 "[ . 1 . 2]" 1
1378 1 16 TYR QE 1 85 LEU QD . . 4.620 4.074 3.707 4.628 0.008 16 0 "[ . 1 . 2]" 1
1379 1 17 GLU H 1 17 GLU QB . . 3.440 2.720 2.633 2.775 . 0 0 "[ . 1 . 2]" 1
1380 1 17 GLU H 1 17 GLU QG . . 4.730 4.189 4.023 4.309 . 0 0 "[ . 1 . 2]" 1
1381 1 17 GLU H 1 84 ARG QB . . 3.880 3.126 2.913 3.291 . 0 0 "[ . 1 . 2]" 1
1382 1 17 GLU HA 1 18 ASP QB . . 5.100 4.290 4.095 4.546 . 0 0 "[ . 1 . 2]" 1
1383 1 17 GLU QB 1 18 ASP H . . 4.440 3.611 3.367 3.805 . 0 0 "[ . 1 . 2]" 1
1384 1 18 ASP H 1 18 ASP QB . . 3.260 2.378 2.063 2.688 . 0 0 "[ . 1 . 2]" 1
1385 1 18 ASP QB 1 19 LEU H . . 4.070 3.053 2.759 3.744 . 0 0 "[ . 1 . 2]" 1
1386 1 18 ASP QB 1 20 THR H . . 5.180 4.197 3.691 4.620 . 0 0 "[ . 1 . 2]" 1
1387 1 18 ASP QB 1 83 ARG QG . . 4.720 3.793 3.298 4.811 0.091 1 0 "[ . 1 . 2]" 1
1388 1 19 LEU H 1 19 LEU QD . . 3.990 3.512 2.649 3.823 . 0 0 "[ . 1 . 2]" 1
1389 1 19 LEU H 1 83 ARG QB . . 4.460 3.528 3.093 3.843 . 0 0 "[ . 1 . 2]" 1
1390 1 19 LEU HA 1 19 LEU QD . . 3.470 2.100 1.923 2.963 . 0 0 "[ . 1 . 2]" 1
1391 1 19 LEU QD 1 20 THR H . . 4.830 3.927 3.721 4.163 . 0 0 "[ . 1 . 2]" 1
1392 1 19 LEU QD 1 84 ARG H . . 3.920 2.709 1.814 3.318 . 0 0 "[ . 1 . 2]" 1
1393 1 19 LEU QD 1 84 ARG HA . . 4.760 3.080 2.778 3.480 . 0 0 "[ . 1 . 2]" 1
1394 1 19 LEU QD 1 84 ARG QB . . 3.660 2.079 1.671 2.409 . 0 0 "[ . 1 . 2]" 1
1395 1 19 LEU QD 1 84 ARG QD . . 3.500 2.322 1.806 3.010 . 0 0 "[ . 1 . 2]" 1
1396 1 19 LEU QD 1 111 GLU HA . . 4.950 4.106 3.700 4.616 . 0 0 "[ . 1 . 2]" 1
1397 1 19 LEU QD 1 111 GLU HB2 . . 5.020 4.686 4.350 5.148 0.128 8 0 "[ . 1 . 2]" 1
1398 1 19 LEU QD 1 111 GLU QG . . 4.150 2.612 2.240 3.266 . 0 0 "[ . 1 . 2]" 1
1399 1 19 LEU QD 1 112 VAL H . . 5.160 4.642 4.163 5.181 0.021 1 0 "[ . 1 . 2]" 1
1400 1 22 GLY H 1 78 LYS QB . . 4.090 2.907 2.107 3.661 . 0 0 "[ . 1 . 2]" 1
1401 1 22 GLY H 1 78 LYS QG . . 5.240 4.511 3.353 5.059 . 0 0 "[ . 1 . 2]" 1
1402 1 22 GLY H 1 78 LYS QD . . 4.630 3.421 2.720 4.615 . 0 0 "[ . 1 . 2]" 1
1403 1 22 GLY QA 1 23 SER H . . 3.120 2.354 2.161 2.790 . 0 0 "[ . 1 . 2]" 1
1404 1 22 GLY QA 1 24 GLY H . . 4.540 3.275 2.907 3.559 . 0 0 "[ . 1 . 2]" 1
1405 1 22 GLY QA 1 78 LYS QB . . 3.730 2.275 1.945 2.888 . 0 0 "[ . 1 . 2]" 1
1406 1 22 GLY QA 1 79 VAL H . . 5.340 4.210 3.642 4.717 . 0 0 "[ . 1 . 2]" 1
1407 1 22 GLY QA 1 81 GLY H . . 3.580 2.877 2.508 3.252 . 0 0 "[ . 1 . 2]" 1
1408 1 23 SER H 1 78 LYS QB . . 4.470 3.645 2.673 4.283 . 0 0 "[ . 1 . 2]" 1
1409 1 23 SER H 1 78 LYS QD . . 5.340 4.458 2.551 5.339 . 0 0 "[ . 1 . 2]" 1
1410 1 23 SER H 1 81 GLY QA . . 5.340 4.550 3.998 5.206 . 0 0 "[ . 1 . 2]" 1
1411 1 24 GLY H 1 78 LYS QB . . 3.810 2.677 2.194 3.799 . 0 0 "[ . 1 . 2]" 1
1412 1 24 GLY HA3 1 117 VAL QG . . 5.300 4.881 4.157 5.322 0.022 15 0 "[ . 1 . 2]" 1
1413 1 25 ALA MB 1 117 VAL QG . . 2.870 2.170 1.663 2.611 . 0 0 "[ . 1 . 2]" 1
1414 1 26 GLU H 1 78 LYS QG . . 4.120 3.065 2.620 3.843 . 0 0 "[ . 1 . 2]" 1
1415 1 26 GLU H 1 78 LYS QD . . 4.860 4.461 2.385 4.869 0.009 6 0 "[ . 1 . 2]" 1
1416 1 26 GLU HA 1 78 LYS QG . . 4.130 2.243 1.985 2.654 . 0 0 "[ . 1 . 2]" 1
1417 1 26 GLU QB 1 78 LYS QG . . 3.870 2.085 1.897 2.407 . 0 0 "[ . 1 . 2]" 1
1418 1 26 GLU QG 1 78 LYS QG . . 3.850 3.036 1.980 3.589 . 0 0 "[ . 1 . 2]" 1
1419 1 27 ALA H 1 74 VAL QG . . 4.890 4.505 4.194 4.683 . 0 0 "[ . 1 . 2]" 1
1420 1 27 ALA H 1 78 LYS QG . . 4.850 3.993 3.650 4.442 . 0 0 "[ . 1 . 2]" 1
1421 1 27 ALA H 1 114 LEU QD . . 4.270 3.665 2.745 4.245 . 0 0 "[ . 1 . 2]" 1
1422 1 27 ALA H 1 117 VAL QG . . 4.830 3.674 3.401 4.206 . 0 0 "[ . 1 . 2]" 1
1423 1 27 ALA HA 1 117 VAL QG . . 3.400 2.570 1.993 3.053 . 0 0 "[ . 1 . 2]" 1
1424 1 27 ALA MB 1 61 LEU QD . . 2.650 2.088 1.826 2.373 . 0 0 "[ . 1 . 2]" 1
1425 1 28 ARG H 1 31 GLN QG . . 3.870 3.287 2.312 3.586 . 0 0 "[ . 1 . 2]" 1
1426 1 28 ARG H 1 61 LEU QD . . 3.700 2.931 2.677 3.237 . 0 0 "[ . 1 . 2]" 1
1427 1 28 ARG HB2 1 31 GLN QG . . 5.110 4.128 3.571 4.705 . 0 0 "[ . 1 . 2]" 1
1428 1 28 ARG QG 1 31 GLN QG . . 5.340 4.805 4.401 5.285 . 0 0 "[ . 1 . 2]" 1
1429 1 29 ALA H 1 61 LEU QD . . 4.080 2.836 2.299 3.298 . 0 0 "[ . 1 . 2]" 1
1430 1 29 ALA HA 1 61 LEU QD . . 4.110 2.629 2.277 2.764 . 0 0 "[ . 1 . 2]" 1
1431 1 30 GLY H 1 60 VAL QG . . 4.750 3.694 2.407 4.398 . 0 0 "[ . 1 . 2]" 1
1432 1 30 GLY QA 1 60 VAL QG . . 3.920 3.050 2.041 3.613 . 0 0 "[ . 1 . 2]" 1
1433 1 31 GLN H 1 31 GLN QB . . 2.990 2.287 2.160 2.460 . 0 0 "[ . 1 . 2]" 1
1434 1 31 GLN H 1 31 GLN QG . . 4.160 3.776 2.507 3.984 . 0 0 "[ . 1 . 2]" 1
1435 1 31 GLN H 1 60 VAL QG . . 4.540 4.007 2.859 4.575 0.035 18 0 "[ . 1 . 2]" 1
1436 1 31 GLN H 1 61 LEU QD . . 4.850 4.105 3.674 4.344 . 0 0 "[ . 1 . 2]" 1
1437 1 31 GLN HA 1 31 GLN QG . . 3.450 2.617 2.406 3.278 . 0 0 "[ . 1 . 2]" 1
1438 1 31 GLN QB 1 32 THR H . . 3.680 3.550 2.745 3.677 . 0 0 "[ . 1 . 2]" 1
1439 1 31 GLN QG 1 32 THR H . . 3.640 2.327 2.173 3.089 . 0 0 "[ . 1 . 2]" 1
1440 1 31 GLN QG 1 33 VAL MG1 . . 3.950 2.031 1.869 2.237 . 0 0 "[ . 1 . 2]" 1
1441 1 31 GLN QG 1 61 LEU H . . 4.690 4.579 3.659 4.737 0.047 7 0 "[ . 1 . 2]" 1
1442 1 33 VAL MG2 1 74 VAL QG . . 3.270 2.252 1.975 2.557 . 0 0 "[ . 1 . 2]" 1
1443 1 33 VAL MG2 1 114 LEU QD . . 3.600 2.652 2.401 3.008 . 0 0 "[ . 1 . 2]" 1
1444 1 34 SER H 1 34 SER QB . . 3.420 2.517 2.399 2.944 . 0 0 "[ . 1 . 2]" 1
1445 1 34 SER QB 1 35 VAL H . . 3.940 3.236 2.948 3.389 . 0 0 "[ . 1 . 2]" 1
1446 1 34 SER QB 1 57 PHE H . . 5.340 5.011 4.791 5.204 . 0 0 "[ . 1 . 2]" 1
1447 1 34 SER QB 1 58 ALA H . . 5.230 4.914 4.631 5.112 . 0 0 "[ . 1 . 2]" 1
1448 1 34 SER QB 1 58 ALA MB . . 3.990 2.992 2.399 3.164 . 0 0 "[ . 1 . 2]" 1
1449 1 34 SER QB 1 115 LEU H . . 5.340 4.069 3.785 4.302 . 0 0 "[ . 1 . 2]" 1
1450 1 34 SER QB 1 115 LEU QB . . 4.960 2.700 2.118 2.976 . 0 0 "[ . 1 . 2]" 1
1451 1 34 SER QB 1 115 LEU QD . . 3.610 2.456 1.903 2.924 . 0 0 "[ . 1 . 2]" 1
1452 1 34 SER QB 1 116 ASP H . . 3.800 3.177 2.817 3.801 0.001 13 0 "[ . 1 . 2]" 1
1453 1 34 SER QB 1 116 ASP QB . . 3.950 3.466 2.697 3.971 0.021 13 0 "[ . 1 . 2]" 1
1454 1 35 VAL H 1 35 VAL QG . . 3.180 2.147 2.031 2.297 . 0 0 "[ . 1 . 2]" 1
1455 1 35 VAL H 1 115 LEU QD . . 4.810 3.758 3.121 4.619 . 0 0 "[ . 1 . 2]" 1
1456 1 35 VAL HA 1 112 VAL QG . . 4.770 4.361 4.185 4.684 . 0 0 "[ . 1 . 2]" 1
1457 1 35 VAL HA 1 114 LEU QD . . 4.340 3.416 2.906 4.115 . 0 0 "[ . 1 . 2]" 1
1458 1 35 VAL HA 1 115 LEU QD . . 4.130 2.910 2.177 3.740 . 0 0 "[ . 1 . 2]" 1
1459 1 35 VAL HB 1 112 VAL QG . . 3.580 2.441 2.205 2.750 . 0 0 "[ . 1 . 2]" 1
1460 1 35 VAL QG 1 37 TYR HB3 . . 5.440 3.835 3.779 3.954 . 0 0 "[ . 1 . 2]" 1
1461 1 35 VAL QG 1 37 TYR QD . . 3.810 3.646 3.567 3.737 . 0 0 "[ . 1 . 2]" 1
1462 1 35 VAL QG 1 57 PHE H . . 4.080 3.739 3.608 4.009 . 0 0 "[ . 1 . 2]" 1
1463 1 35 VAL QG 1 57 PHE HB2 . . 4.610 3.763 3.598 3.940 . 0 0 "[ . 1 . 2]" 1
1464 1 35 VAL QG 1 57 PHE HB3 . . 4.040 2.562 2.267 2.730 . 0 0 "[ . 1 . 2]" 1
1465 1 35 VAL QG 1 57 PHE QD . . 3.720 3.606 3.439 3.713 . 0 0 "[ . 1 . 2]" 1
1466 1 35 VAL QG 1 58 ALA HA . . 4.770 3.828 3.642 4.063 . 0 0 "[ . 1 . 2]" 1
1467 1 35 VAL QG 1 59 PHE QD . . 3.930 3.369 3.155 3.496 . 0 0 "[ . 1 . 2]" 1
1468 1 35 VAL QG 1 59 PHE QE . . 2.820 2.404 2.215 2.557 . 0 0 "[ . 1 . 2]" 1
1469 1 35 VAL QG 1 59 PHE HZ . . 4.190 3.878 3.656 4.016 . 0 0 "[ . 1 . 2]" 1
1470 1 35 VAL QG 1 70 TRP HB3 . . 4.720 4.604 4.347 4.773 0.053 1 0 "[ . 1 . 2]" 1
1471 1 35 VAL QG 1 70 TRP HE3 . . 3.960 3.788 3.631 3.894 . 0 0 "[ . 1 . 2]" 1
1472 1 35 VAL QG 1 70 TRP HZ3 . . 3.620 3.604 3.501 3.655 0.035 5 0 "[ . 1 . 2]" 1
1473 1 35 VAL QG 1 70 TRP HH2 . . 4.930 4.508 4.451 4.599 . 0 0 "[ . 1 . 2]" 1
1474 1 35 VAL QG 1 74 VAL HB . . 5.280 4.700 3.420 5.293 0.013 1 0 "[ . 1 . 2]" 1
1475 1 35 VAL QG 1 112 VAL HB . . 5.440 4.770 4.543 5.057 . 0 0 "[ . 1 . 2]" 1
1476 1 35 VAL QG 1 112 VAL QG . . 4.490 2.431 2.230 2.682 . 0 0 "[ . 1 . 2]" 1
1477 1 35 VAL QG 1 113 GLU H . . 5.040 3.861 3.604 4.135 . 0 0 "[ . 1 . 2]" 1
1478 1 35 VAL QG 1 115 LEU QD . . 4.600 3.766 3.439 4.390 . 0 0 "[ . 1 . 2]" 1
1479 1 36 HIS H 1 36 HIS QB . . 3.290 2.323 2.314 2.374 . 0 0 "[ . 1 . 2]" 1
1480 1 36 HIS H 1 112 VAL QG . . 4.380 3.729 3.553 4.022 . 0 0 "[ . 1 . 2]" 1
1481 1 36 HIS H 1 113 GLU QB . . 4.670 3.718 2.748 4.281 . 0 0 "[ . 1 . 2]" 1
1482 1 36 HIS H 1 115 LEU QD . . 4.640 2.979 2.794 3.934 . 0 0 "[ . 1 . 2]" 1
1483 1 36 HIS QB 1 36 HIS HD2 . . 3.210 2.628 2.624 2.651 . 0 0 "[ . 1 . 2]" 1
1484 1 36 HIS QB 1 37 TYR H . . 4.050 3.215 3.093 3.261 . 0 0 "[ . 1 . 2]" 1
1485 1 36 HIS QB 1 112 VAL QG . . 5.190 4.795 4.656 5.036 . 0 0 "[ . 1 . 2]" 1
1486 1 36 HIS QB 1 113 GLU H . . 4.100 3.429 3.176 3.655 . 0 0 "[ . 1 . 2]" 1
1487 1 36 HIS QB 1 113 GLU QB . . 4.550 3.110 1.942 3.791 . 0 0 "[ . 1 . 2]" 1
1488 1 36 HIS QB 1 113 GLU QG . . 4.490 2.450 1.846 3.978 . 0 0 "[ . 1 . 2]" 1
1489 1 36 HIS QB 1 115 LEU QD . . 4.480 2.290 1.973 3.443 . 0 0 "[ . 1 . 2]" 1
1490 1 36 HIS HD2 1 51 LYS QB . . 4.620 3.760 3.269 4.193 . 0 0 "[ . 1 . 2]" 1
1491 1 36 HIS HD2 1 56 PRO QB . . 4.780 3.499 3.038 3.866 . 0 0 "[ . 1 . 2]" 1
1492 1 36 HIS HD2 1 113 GLU QG . . 4.720 4.097 3.490 4.712 . 0 0 "[ . 1 . 2]" 1
1493 1 36 HIS HD2 1 115 LEU QD . . 3.130 1.828 1.761 1.939 . 0 0 "[ . 1 . 2]" 1
1494 1 36 HIS HE1 1 51 LYS QB . . 4.200 3.822 3.338 4.215 0.015 18 0 "[ . 1 . 2]" 1
1495 1 36 HIS HE1 1 54 ASN QB . . 5.340 5.055 4.747 5.298 . 0 0 "[ . 1 . 2]" 1
1496 1 36 HIS HE1 1 56 PRO QB . . 4.580 3.270 2.723 3.461 . 0 0 "[ . 1 . 2]" 1
1497 1 36 HIS HE1 1 56 PRO QD . . 3.540 2.850 2.451 3.026 . 0 0 "[ . 1 . 2]" 1
1498 1 36 HIS HE1 1 115 LEU QD . . 4.480 4.027 3.534 4.281 . 0 0 "[ . 1 . 2]" 1
1499 1 37 TYR HB2 1 112 VAL QG . . 4.430 4.020 3.625 4.379 . 0 0 "[ . 1 . 2]" 1
1500 1 37 TYR HB3 1 112 VAL QG . . 3.830 3.512 3.008 3.843 0.013 13 0 "[ . 1 . 2]" 1
1501 1 37 TYR QD 1 112 VAL QG . . 5.440 4.726 4.383 4.999 . 0 0 "[ . 1 . 2]" 1
1502 1 37 TYR QE 1 48 ASP QB . . 3.660 3.326 2.452 3.679 0.019 18 0 "[ . 1 . 2]" 1
1503 1 38 THR H 1 110 PHE QB . . 4.680 3.845 3.680 3.981 . 0 0 "[ . 1 . 2]" 1
1504 1 38 THR H 1 112 VAL QG . . 4.870 4.250 4.088 4.427 . 0 0 "[ . 1 . 2]" 1
1505 1 38 THR MG 1 46 LYS QE . . 4.440 3.497 1.973 4.452 0.012 16 0 "[ . 1 . 2]" 1
1506 1 38 THR MG 1 49 SER QB . . 3.460 2.775 2.163 3.483 0.023 8 0 "[ . 1 . 2]" 1
1507 1 39 GLY H 1 49 SER QB . . 5.030 4.453 3.963 4.949 . 0 0 "[ . 1 . 2]" 1
1508 1 40 TRP H 1 41 LEU QD . . 5.440 5.254 4.050 5.467 0.027 11 0 "[ . 1 . 2]" 1
1509 1 40 TRP H 1 109 VAL QG . . 4.710 4.164 4.008 4.257 . 0 0 "[ . 1 . 2]" 1
1510 1 40 TRP HB2 1 109 VAL QG . . 3.940 3.028 2.901 3.197 . 0 0 "[ . 1 . 2]" 1
1511 1 40 TRP HD1 1 45 GLN QB . . 5.310 4.810 4.630 4.941 . 0 0 "[ . 1 . 2]" 1
1512 1 40 TRP HD1 1 46 LYS QB . . 3.270 2.829 2.414 3.050 . 0 0 "[ . 1 . 2]" 1
1513 1 40 TRP HE3 1 109 VAL QG . . 3.710 2.443 2.155 2.650 . 0 0 "[ . 1 . 2]" 1
1514 1 40 TRP HE3 1 111 GLU QG . . 4.260 4.043 3.915 4.300 0.040 8 0 "[ . 1 . 2]" 1
1515 1 40 TRP HZ3 1 109 VAL QG . . 3.870 3.775 3.631 3.885 0.015 8 0 "[ . 1 . 2]" 1
1516 1 40 TRP HZ3 1 111 GLU QG . . 3.350 1.999 1.928 2.206 . 0 0 "[ . 1 . 2]" 1
1517 1 40 TRP HZ2 1 111 GLU QG . . 5.340 5.047 4.421 5.375 0.035 15 0 "[ . 1 . 2]" 1
1518 1 40 TRP HH2 1 111 GLU QG . . 3.870 2.883 2.211 3.317 . 0 0 "[ . 1 . 2]" 1
1519 1 41 LEU H 1 41 LEU QB . . 3.400 2.135 2.064 2.386 . 0 0 "[ . 1 . 2]" 1
1520 1 41 LEU H 1 41 LEU QD . . 3.890 3.217 1.875 3.614 . 0 0 "[ . 1 . 2]" 1
1521 1 41 LEU HA 1 41 LEU QD . . 3.870 2.258 1.863 2.848 . 0 0 "[ . 1 . 2]" 1
1522 1 41 LEU QB 1 42 THR H . . 3.190 2.189 1.894 2.370 . 0 0 "[ . 1 . 2]" 1
1523 1 41 LEU QB 1 43 ASP H . . 3.510 2.272 2.136 2.390 . 0 0 "[ . 1 . 2]" 1
1524 1 41 LEU QB 1 44 GLY H . . 4.530 2.871 2.812 3.009 . 0 0 "[ . 1 . 2]" 1
1525 1 41 LEU QB 1 45 GLN H . . 3.360 2.537 2.334 2.973 . 0 0 "[ . 1 . 2]" 1
1526 1 41 LEU QB 1 45 GLN QB . . 4.010 2.249 1.962 2.780 . 0 0 "[ . 1 . 2]" 1
1527 1 41 LEU QB 1 47 PHE QD . . 4.390 3.365 3.148 4.044 . 0 0 "[ . 1 . 2]" 1
1528 1 41 LEU QD 1 42 THR H . . 3.840 2.437 1.925 3.267 . 0 0 "[ . 1 . 2]" 1
1529 1 41 LEU QD 1 43 ASP H . . 4.370 3.528 3.356 4.068 . 0 0 "[ . 1 . 2]" 1
1530 1 41 LEU QD 1 45 GLN H . . 4.230 3.717 3.386 3.911 . 0 0 "[ . 1 . 2]" 1
1531 1 41 LEU QD 1 45 GLN QB . . 3.810 2.288 1.934 2.706 . 0 0 "[ . 1 . 2]" 1
1532 1 41 LEU QD 1 47 PHE QD . . 3.120 2.538 1.660 3.034 . 0 0 "[ . 1 . 2]" 1
1533 1 41 LEU QD 1 47 PHE QE . . 3.970 3.299 2.355 3.808 . 0 0 "[ . 1 . 2]" 1
1534 1 43 ASP H 1 43 ASP QB . . 3.440 2.448 2.269 2.867 . 0 0 "[ . 1 . 2]" 1
1535 1 45 GLN H 1 45 GLN QB . . 3.130 2.237 2.123 2.378 . 0 0 "[ . 1 . 2]" 1
1536 1 45 GLN HA 1 45 GLN QG . . 3.410 2.616 2.172 3.084 . 0 0 "[ . 1 . 2]" 1
1537 1 45 GLN QG 1 46 LYS H . . 4.110 3.133 2.527 4.108 . 0 0 "[ . 1 . 2]" 1
1538 1 46 LYS H 1 46 LYS QB . . 3.040 2.259 2.174 2.345 . 0 0 "[ . 1 . 2]" 1
1539 1 46 LYS QB 1 46 LYS QE . . 4.390 2.100 1.949 2.534 . 0 0 "[ . 1 . 2]" 1
1540 1 46 LYS QG 1 49 SER QB . . 4.930 2.853 2.498 3.421 . 0 0 "[ . 1 . 2]" 1
1541 1 46 LYS QD 1 49 SER QB . . 3.580 2.106 1.877 3.566 . 0 0 "[ . 1 . 2]" 1
1542 1 47 PHE HA 1 101 VAL QG . . 3.770 3.501 2.856 3.826 0.056 7 0 "[ . 1 . 2]" 1
1543 1 47 PHE QB 1 101 VAL QG . . 3.920 1.949 1.780 2.390 . 0 0 "[ . 1 . 2]" 1
1544 1 47 PHE QB 1 102 ILE MD . . 5.340 3.742 3.180 4.490 . 0 0 "[ . 1 . 2]" 1
1545 1 47 PHE QD 1 48 ASP QB . . 3.220 2.174 1.925 2.787 . 0 0 "[ . 1 . 2]" 1
1546 1 47 PHE QD 1 101 VAL QG . . 3.520 3.116 2.583 3.536 0.016 18 0 "[ . 1 . 2]" 1
1547 1 47 PHE QE 1 48 ASP QB . . 3.600 2.477 2.322 2.810 . 0 0 "[ . 1 . 2]" 1
1548 1 47 PHE QE 1 108 LEU QB . . 3.610 3.078 2.469 3.325 . 0 0 "[ . 1 . 2]" 1
1549 1 47 PHE HZ 1 108 LEU QB . . 4.090 2.579 2.359 2.771 . 0 0 "[ . 1 . 2]" 1
1550 1 47 PHE HZ 1 108 LEU QD . . 3.760 2.931 2.613 3.757 . 0 0 "[ . 1 . 2]" 1
1551 1 48 ASP QB 1 49 SER H . . 4.090 3.392 3.051 3.747 . 0 0 "[ . 1 . 2]" 1
1552 1 49 SER QB 1 50 SER H . . 4.070 3.609 3.328 3.961 . 0 0 "[ . 1 . 2]" 1
1553 1 49 SER QB 1 51 LYS H . . 4.630 3.685 3.146 4.448 . 0 0 "[ . 1 . 2]" 1
1554 1 49 SER QB 1 51 LYS QD . . 5.030 3.052 1.977 4.598 . 0 0 "[ . 1 . 2]" 1
1555 1 49 SER QB 1 52 ASP H . . 3.880 2.604 1.991 3.564 . 0 0 "[ . 1 . 2]" 1
1556 1 49 SER QB 1 52 ASP QB . . 4.120 2.168 1.862 2.920 . 0 0 "[ . 1 . 2]" 1
1557 1 51 LYS H 1 51 LYS QB . . 3.390 2.449 2.225 2.601 . 0 0 "[ . 1 . 2]" 1
1558 1 51 LYS H 1 51 LYS QG . . 3.530 2.382 1.944 3.444 . 0 0 "[ . 1 . 2]" 1
1559 1 51 LYS QG 1 52 ASP H . . 3.280 2.476 2.056 3.185 . 0 0 "[ . 1 . 2]" 1
1560 1 52 ASP H 1 52 ASP QB . . 3.240 2.258 2.206 2.321 . 0 0 "[ . 1 . 2]" 1
1561 1 52 ASP H 1 53 ARG QB . . 5.030 4.665 4.179 4.991 . 0 0 "[ . 1 . 2]" 1
1562 1 53 ARG QB 1 55 ASP H . . 4.210 3.429 2.875 4.245 0.035 8 0 "[ . 1 . 2]" 1
1563 1 53 ARG QB 1 55 ASP QB . . 4.950 2.842 2.474 3.950 . 0 0 "[ . 1 . 2]" 1
1564 1 53 ARG QG 1 55 ASP QB . . 5.090 3.558 1.790 4.580 . 0 0 "[ . 1 . 2]" 1
1565 1 54 ASN H 1 54 ASN QB . . 3.590 3.182 2.855 3.429 . 0 0 "[ . 1 . 2]" 1
1566 1 54 ASN QB 1 55 ASP H . . 3.930 3.845 3.777 3.924 . 0 0 "[ . 1 . 2]" 1
1567 1 55 ASP H 1 56 PRO QD . . 4.250 3.314 3.227 3.450 . 0 0 "[ . 1 . 2]" 1
1568 1 55 ASP HA 1 56 PRO QD . . 2.850 1.992 1.949 2.022 . 0 0 "[ . 1 . 2]" 1
1569 1 56 PRO HA 1 115 LEU QD . . 4.700 3.253 2.977 3.691 . 0 0 "[ . 1 . 2]" 1
1570 1 56 PRO QB 1 57 PHE H . . 3.640 3.277 2.882 3.495 . 0 0 "[ . 1 . 2]" 1
1571 1 56 PRO QB 1 115 LEU QD . . 3.240 1.873 1.782 2.066 . 0 0 "[ . 1 . 2]" 1
1572 1 57 PHE H 1 115 LEU QD . . 4.760 4.085 3.853 4.600 . 0 0 "[ . 1 . 2]" 1
1573 1 57 PHE QD 1 59 PHE QB . . 4.370 3.010 2.900 3.130 . 0 0 "[ . 1 . 2]" 1
1574 1 57 PHE QE 1 59 PHE QB . . 3.680 2.505 2.373 2.626 . 0 0 "[ . 1 . 2]" 1
1575 1 59 PHE QB 1 60 VAL H . . 3.280 2.367 2.174 2.633 . 0 0 "[ . 1 . 2]" 1
1576 1 59 PHE QB 1 65 MET ME . . 4.480 2.824 1.983 3.261 . 0 0 "[ . 1 . 2]" 1
1577 1 59 PHE QB 1 66 VAL MG1 . . 4.280 3.703 3.460 3.874 . 0 0 "[ . 1 . 2]" 1
1578 1 59 PHE QE 1 61 LEU QD . . 3.660 3.583 3.315 3.701 0.041 11 0 "[ . 1 . 2]" 1
1579 1 59 PHE QE 1 71 ASP QB . . 4.740 4.583 4.045 4.794 0.054 11 0 "[ . 1 . 2]" 1
1580 1 59 PHE QE 1 74 VAL QG . . 3.490 2.782 2.530 3.207 . 0 0 "[ . 1 . 2]" 1
1581 1 59 PHE HZ 1 61 LEU QD . . 4.320 4.026 3.519 4.364 0.044 16 0 "[ . 1 . 2]" 1
1582 1 59 PHE HZ 1 74 VAL QG . . 3.160 2.081 1.874 2.666 . 0 0 "[ . 1 . 2]" 1
1583 1 60 VAL H 1 60 VAL QG . . 3.070 1.988 1.848 2.502 . 0 0 "[ . 1 . 2]" 1
1584 1 60 VAL HA 1 60 VAL QG . . 3.140 2.248 2.055 2.345 . 0 0 "[ . 1 . 2]" 1
1585 1 60 VAL QG 1 62 GLY HA3 . . 3.990 3.900 3.628 4.010 0.020 12 0 "[ . 1 . 2]" 1
1586 1 60 VAL QG 1 63 GLY H . . 3.820 3.133 2.688 3.826 0.006 17 0 "[ . 1 . 2]" 1
1587 1 60 VAL QG 1 63 GLY QA . . 4.950 3.854 2.303 4.972 0.022 17 0 "[ . 1 . 2]" 1
1588 1 61 LEU H 1 61 LEU QD . . 4.110 3.693 3.592 3.757 . 0 0 "[ . 1 . 2]" 1
1589 1 61 LEU H 1 74 VAL QG . . 4.880 3.921 3.596 4.304 . 0 0 "[ . 1 . 2]" 1
1590 1 61 LEU QD 1 62 GLY H . . 4.650 2.769 2.377 3.011 . 0 0 "[ . 1 . 2]" 1
1591 1 61 LEU QD 1 63 GLY H . . 5.440 4.545 4.344 4.800 . 0 0 "[ . 1 . 2]" 1
1592 1 61 LEU QD 1 74 VAL H . . 5.340 3.910 3.541 4.458 . 0 0 "[ . 1 . 2]" 1
1593 1 61 LEU QD 1 74 VAL HB . . 4.670 2.472 1.868 3.986 . 0 0 "[ . 1 . 2]" 1
1594 1 61 LEU QD 1 74 VAL QG . . 4.340 1.783 1.618 2.440 . 0 0 "[ . 1 . 2]" 1
1595 1 61 LEU QD 1 75 GLN H . . 3.990 2.741 2.275 3.270 . 0 0 "[ . 1 . 2]" 1
1596 1 61 LEU QD 1 75 GLN HA . . 3.450 1.917 1.786 2.136 . 0 0 "[ . 1 . 2]" 1
1597 1 61 LEU QD 1 75 GLN QB . . 4.470 2.428 1.804 3.286 . 0 0 "[ . 1 . 2]" 1
1598 1 61 LEU QD 1 75 GLN QG . . 4.630 2.739 1.702 3.572 . 0 0 "[ . 1 . 2]" 1
1599 1 61 LEU QD 1 76 GLY H . . 4.090 3.489 3.295 3.739 . 0 0 "[ . 1 . 2]" 1
1600 1 66 VAL MG2 1 71 ASP QB . . 3.830 2.959 2.516 3.695 . 0 0 "[ . 1 . 2]" 1
1601 1 68 LYS H 1 68 LYS QB . . 3.180 2.373 2.051 2.712 . 0 0 "[ . 1 . 2]" 1
1602 1 68 LYS QB 1 69 GLY H . . 3.620 2.480 2.267 3.061 . 0 0 "[ . 1 . 2]" 1
1603 1 68 LYS QB 1 70 TRP H . . 5.340 4.668 4.560 4.954 . 0 0 "[ . 1 . 2]" 1
1604 1 69 GLY HA2 1 85 LEU QD . . 3.690 2.573 2.311 3.098 . 0 0 "[ . 1 . 2]" 1
1605 1 69 GLY HA3 1 85 LEU QB . . 5.070 4.381 3.199 4.817 . 0 0 "[ . 1 . 2]" 1
1606 1 69 GLY HA3 1 85 LEU QD . . 3.300 1.997 1.854 2.921 . 0 0 "[ . 1 . 2]" 1
1607 1 70 TRP H 1 71 ASP QB . . 4.810 4.501 4.345 4.831 0.021 12 0 "[ . 1 . 2]" 1
1608 1 70 TRP H 1 85 LEU QD . . 4.680 2.970 2.746 3.535 . 0 0 "[ . 1 . 2]" 1
1609 1 70 TRP HA 1 74 VAL QG . . 4.170 3.693 3.430 4.295 0.125 13 0 "[ . 1 . 2]" 1
1610 1 70 TRP HA 1 85 LEU QD . . 3.500 2.538 2.049 2.970 . 0 0 "[ . 1 . 2]" 1
1611 1 70 TRP HB2 1 74 VAL QG . . 5.440 4.393 4.186 4.741 . 0 0 "[ . 1 . 2]" 1
1612 1 70 TRP HB3 1 74 VAL QG . . 5.020 3.234 2.939 3.951 . 0 0 "[ . 1 . 2]" 1
1613 1 70 TRP HD1 1 85 LEU QD . . 3.270 2.094 1.885 2.671 . 0 0 "[ . 1 . 2]" 1
1614 1 70 TRP HD1 1 112 VAL QG . . 4.050 3.843 3.472 4.056 0.006 11 0 "[ . 1 . 2]" 1
1615 1 70 TRP HZ2 1 112 VAL QG . . 4.560 4.271 3.884 4.569 0.009 13 0 "[ . 1 . 2]" 1
1616 1 70 TRP HH2 1 112 VAL QG . . 5.370 4.932 4.441 5.351 . 0 0 "[ . 1 . 2]" 1
1617 1 71 ASP H 1 71 ASP QB . . 3.010 2.297 2.133 2.604 . 0 0 "[ . 1 . 2]" 1
1618 1 71 ASP H 1 72 GLU QB . . 5.110 4.471 4.282 4.541 . 0 0 "[ . 1 . 2]" 1
1619 1 71 ASP QB 1 72 GLU H . . 3.500 2.475 2.331 2.572 . 0 0 "[ . 1 . 2]" 1
1620 1 72 GLU H 1 72 GLU QG . . 4.310 3.929 3.408 4.058 . 0 0 "[ . 1 . 2]" 1
1621 1 72 GLU H 1 75 GLN QG . . 5.270 4.285 4.031 4.746 . 0 0 "[ . 1 . 2]" 1
1622 1 72 GLU H 1 85 LEU QD . . 4.770 4.575 4.420 4.748 . 0 0 "[ . 1 . 2]" 1
1623 1 72 GLU HA 1 72 GLU QG . . 3.250 2.624 2.374 2.905 . 0 0 "[ . 1 . 2]" 1
1624 1 72 GLU QB 1 73 GLY H . . 3.430 2.568 2.387 2.837 . 0 0 "[ . 1 . 2]" 1
1625 1 72 GLU QG 1 73 GLY H . . 4.660 4.065 3.637 4.540 . 0 0 "[ . 1 . 2]" 1
1626 1 73 GLY H 1 74 VAL QG . . 4.480 3.993 3.670 4.218 . 0 0 "[ . 1 . 2]" 1
1627 1 73 GLY H 1 75 GLN QG . . 5.180 4.552 3.857 5.302 0.122 6 0 "[ . 1 . 2]" 1
1628 1 73 GLY H 1 85 LEU QD . . 4.300 3.512 3.105 3.867 . 0 0 "[ . 1 . 2]" 1
1629 1 73 GLY QA 1 85 LEU QD . . 3.920 3.271 2.759 3.842 . 0 0 "[ . 1 . 2]" 1
1630 1 74 VAL H 1 74 VAL QG . . 3.060 2.239 2.101 2.355 . 0 0 "[ . 1 . 2]" 1
1631 1 74 VAL H 1 112 VAL QG . . 5.370 4.295 3.957 4.776 . 0 0 "[ . 1 . 2]" 1
1632 1 74 VAL HA 1 74 VAL QG . . 3.110 2.132 2.062 2.269 . 0 0 "[ . 1 . 2]" 1
1633 1 74 VAL QG 1 75 GLN H . . 3.570 3.089 2.120 3.419 . 0 0 "[ . 1 . 2]" 1
1634 1 74 VAL QG 1 75 GLN HA . . 4.740 3.407 3.048 3.771 . 0 0 "[ . 1 . 2]" 1
1635 1 74 VAL QG 1 75 GLN QG . . 4.760 3.947 2.601 4.551 . 0 0 "[ . 1 . 2]" 1
1636 1 74 VAL QG 1 76 GLY H . . 4.800 3.892 3.644 4.049 . 0 0 "[ . 1 . 2]" 1
1637 1 74 VAL QG 1 77 MET H . . 5.440 4.359 4.216 4.553 . 0 0 "[ . 1 . 2]" 1
1638 1 75 GLN H 1 75 GLN QB . . 3.410 2.487 2.185 2.630 . 0 0 "[ . 1 . 2]" 1
1639 1 75 GLN H 1 75 GLN QG . . 3.060 2.374 1.930 2.953 . 0 0 "[ . 1 . 2]" 1
1640 1 75 GLN HA 1 75 GLN QG . . 3.610 2.964 2.117 3.341 . 0 0 "[ . 1 . 2]" 1
1641 1 77 MET H 1 114 LEU QD . . 5.280 4.204 3.551 4.566 . 0 0 "[ . 1 . 2]" 1
1642 1 77 MET QB 1 81 GLY QA . . 4.780 3.996 3.171 4.957 0.177 15 0 "[ . 1 . 2]" 1
1643 1 77 MET QB 1 114 LEU QD . . 3.060 2.209 1.783 3.131 0.071 20 0 "[ . 1 . 2]" 1
1644 1 77 MET QG 1 112 VAL QG . . 5.440 3.697 2.899 4.228 . 0 0 "[ . 1 . 2]" 1
1645 1 77 MET ME 1 81 GLY QA . . 4.110 3.130 2.581 3.669 . 0 0 "[ . 1 . 2]" 1
1646 1 77 MET ME 1 112 VAL QG . . 3.570 2.475 1.883 3.575 0.005 10 0 "[ . 1 . 2]" 1
1647 1 77 MET ME 1 114 LEU QD . . 3.910 2.507 1.836 3.850 . 0 0 "[ . 1 . 2]" 1
1648 1 78 LYS H 1 78 LYS QB . . 3.400 2.507 2.324 2.763 . 0 0 "[ . 1 . 2]" 1
1649 1 78 LYS H 1 78 LYS QG . . 4.020 3.107 2.619 3.564 . 0 0 "[ . 1 . 2]" 1
1650 1 78 LYS H 1 78 LYS QD . . 4.490 3.786 2.471 4.503 0.013 20 0 "[ . 1 . 2]" 1
1651 1 78 LYS H 1 114 LEU QD . . 4.420 3.826 3.169 4.337 . 0 0 "[ . 1 . 2]" 1
1652 1 78 LYS QB 1 78 LYS QD . . 3.340 2.088 1.940 2.143 . 0 0 "[ . 1 . 2]" 1
1653 1 78 LYS QB 1 79 VAL H . . 3.680 2.444 2.181 2.738 . 0 0 "[ . 1 . 2]" 1
1654 1 78 LYS QB 1 81 GLY H . . 4.700 4.044 3.941 4.164 . 0 0 "[ . 1 . 2]" 1
1655 1 79 VAL H 1 114 LEU QD . . 4.860 3.763 2.658 4.473 . 0 0 "[ . 1 . 2]" 1
1656 1 79 VAL H 1 117 VAL QG . . 5.440 3.446 3.004 4.166 . 0 0 "[ . 1 . 2]" 1
1657 1 79 VAL HA 1 114 LEU QD . . 4.880 2.690 1.985 3.393 . 0 0 "[ . 1 . 2]" 1
1658 1 79 VAL MG1 1 80 GLY QA . . 4.450 3.134 3.075 3.170 . 0 0 "[ . 1 . 2]" 1
1659 1 79 VAL MG2 1 117 VAL QG . . 2.820 1.847 1.616 2.068 . 0 0 "[ . 1 . 2]" 1
1660 1 80 GLY H 1 114 LEU QD . . 4.820 3.557 2.818 4.034 . 0 0 "[ . 1 . 2]" 1
1661 1 81 GLY H 1 114 LEU QD . . 4.690 3.912 3.489 4.204 . 0 0 "[ . 1 . 2]" 1
1662 1 81 GLY QA 1 82 VAL MG2 . . 4.210 3.297 3.183 3.408 . 0 0 "[ . 1 . 2]" 1
1663 1 82 VAL MG1 1 111 GLU QG . . 4.560 2.832 2.234 3.358 . 0 0 "[ . 1 . 2]" 1
1664 1 82 VAL MG1 1 113 GLU QB . . 3.800 2.736 2.255 3.132 . 0 0 "[ . 1 . 2]" 1
1665 1 82 VAL MG2 1 113 GLU QB . . 3.600 2.679 2.143 3.566 . 0 0 "[ . 1 . 2]" 1
1666 1 83 ARG H 1 83 ARG QB . . 3.650 2.688 2.586 2.765 . 0 0 "[ . 1 . 2]" 1
1667 1 83 ARG QB 1 112 VAL H . . 4.890 3.967 3.784 4.165 . 0 0 "[ . 1 . 2]" 1
1668 1 84 ARG H 1 84 ARG QB . . 3.280 2.274 2.115 2.379 . 0 0 "[ . 1 . 2]" 1
1669 1 84 ARG HA 1 109 VAL QG . . 4.420 3.930 3.489 4.172 . 0 0 "[ . 1 . 2]" 1
1670 1 84 ARG HA 1 111 GLU QG . . 4.350 2.929 2.674 3.311 . 0 0 "[ . 1 . 2]" 1
1671 1 84 ARG QB 1 84 ARG QD . . 3.280 2.070 1.943 2.323 . 0 0 "[ . 1 . 2]" 1
1672 1 84 ARG QG 1 109 VAL QG . . 3.300 2.303 2.043 2.499 . 0 0 "[ . 1 . 2]" 1
1673 1 84 ARG QD 1 109 VAL QG . . 4.030 3.098 2.041 3.707 . 0 0 "[ . 1 . 2]" 1
1674 1 85 LEU H 1 85 LEU QB . . 3.500 2.353 2.161 2.604 . 0 0 "[ . 1 . 2]" 1
1675 1 85 LEU H 1 109 VAL QG . . 4.490 3.403 2.905 3.776 . 0 0 "[ . 1 . 2]" 1
1676 1 85 LEU H 1 110 PHE QB . . 5.340 4.079 3.755 4.233 . 0 0 "[ . 1 . 2]" 1
1677 1 85 LEU QB 1 86 THR H . . 3.890 3.448 3.102 3.887 . 0 0 "[ . 1 . 2]" 1
1678 1 85 LEU QB 1 87 ILE QG . . 4.120 3.383 3.072 3.789 . 0 0 "[ . 1 . 2]" 1
1679 1 85 LEU QB 1 87 ILE MD . . 4.540 3.627 3.400 3.957 . 0 0 "[ . 1 . 2]" 1
1680 1 85 LEU QB 1 109 VAL QG . . 4.850 4.129 3.930 4.395 . 0 0 "[ . 1 . 2]" 1
1681 1 85 LEU QB 1 110 PHE QB . . 4.270 2.753 2.615 2.968 . 0 0 "[ . 1 . 2]" 1
1682 1 85 LEU QB 1 110 PHE QD . . 4.780 4.490 4.215 4.686 . 0 0 "[ . 1 . 2]" 1
1683 1 85 LEU QB 1 112 VAL QG . . 4.230 2.538 1.956 3.490 . 0 0 "[ . 1 . 2]" 1
1684 1 85 LEU QD 1 86 THR H . . 4.260 3.067 2.101 3.984 . 0 0 "[ . 1 . 2]" 1
1685 1 85 LEU QD 1 87 ILE MD . . 4.510 2.488 1.804 3.990 . 0 0 "[ . 1 . 2]" 1
1686 1 85 LEU QD 1 110 PHE HA . . 5.440 5.361 4.933 5.464 0.024 1 0 "[ . 1 . 2]" 1
1687 1 85 LEU QD 1 110 PHE QB . . 5.050 3.045 2.449 3.295 . 0 0 "[ . 1 . 2]" 1
1688 1 85 LEU QD 1 110 PHE QD . . 4.760 4.277 3.706 4.795 0.035 1 0 "[ . 1 . 2]" 1
1689 1 85 LEU QD 1 112 VAL HB . . 5.440 3.780 2.477 4.512 . 0 0 "[ . 1 . 2]" 1
1690 1 85 LEU QD 1 112 VAL QG . . 4.660 2.295 1.752 2.992 . 0 0 "[ . 1 . 2]" 1
1691 1 86 THR H 1 109 VAL QG . . 5.440 4.187 3.558 4.490 . 0 0 "[ . 1 . 2]" 1
1692 1 86 THR HA 1 109 VAL QG . . 3.920 2.655 2.420 2.880 . 0 0 "[ . 1 . 2]" 1
1693 1 87 ILE H 1 109 VAL QG . . 4.840 3.736 3.510 3.904 . 0 0 "[ . 1 . 2]" 1
1694 1 89 PRO HB2 1 105 ASN QB . . 5.340 4.832 4.373 5.213 . 0 0 "[ . 1 . 2]" 1
1695 1 89 PRO QD 1 90 GLN H . . 3.980 2.652 2.602 2.760 . 0 0 "[ . 1 . 2]" 1
1696 1 89 PRO QD 1 107 THR HA . . 3.370 2.008 1.965 2.409 . 0 0 "[ . 1 . 2]" 1
1697 1 89 PRO QD 1 107 THR MG . . 4.300 3.325 3.006 3.514 . 0 0 "[ . 1 . 2]" 1
1698 1 90 GLN QB 1 91 LEU QD . . 4.630 3.653 2.711 4.616 . 0 0 "[ . 1 . 2]" 1
1699 1 90 GLN QG 1 91 LEU QD . . 4.450 2.705 1.801 4.330 . 0 0 "[ . 1 . 2]" 1
1700 1 91 LEU H 1 91 LEU QD . . 4.390 3.293 2.668 3.858 . 0 0 "[ . 1 . 2]" 1
1701 1 91 LEU QD 1 92 GLY HA2 . . 5.440 5.034 3.940 5.401 . 0 0 "[ . 1 . 2]" 1
1702 1 92 GLY HA2 1 108 LEU QD . . 4.380 3.668 3.205 4.110 . 0 0 "[ . 1 . 2]" 1
1703 1 92 GLY HA3 1 108 LEU QD . . 4.630 2.603 1.964 3.321 . 0 0 "[ . 1 . 2]" 1
1704 1 93 TYR H 1 108 LEU QD . . 4.430 2.650 2.147 3.240 . 0 0 "[ . 1 . 2]" 1
1705 1 93 TYR QB 1 94 GLY H . . 4.260 2.669 2.480 2.931 . 0 0 "[ . 1 . 2]" 1
1706 1 93 TYR QB 1 97 GLY H . . 3.820 3.071 2.595 3.546 . 0 0 "[ . 1 . 2]" 1
1707 1 93 TYR QB 1 97 GLY QA . . 4.030 2.159 1.882 2.618 . 0 0 "[ . 1 . 2]" 1
1708 1 93 TYR QB 1 98 ALA MB . . 4.460 4.301 3.928 4.570 0.110 7 0 "[ . 1 . 2]" 1
1709 1 93 TYR QB 1 102 ILE MG . . 4.050 2.862 2.367 3.190 . 0 0 "[ . 1 . 2]" 1
1710 1 93 TYR QB 1 102 ILE MD . . 5.340 4.458 3.947 5.045 . 0 0 "[ . 1 . 2]" 1
1711 1 93 TYR QD 1 97 GLY QA . . 3.890 2.704 2.062 3.176 . 0 0 "[ . 1 . 2]" 1
1712 1 93 TYR QD 1 108 LEU QD . . 3.320 2.291 1.992 3.266 . 0 0 "[ . 1 . 2]" 1
1713 1 93 TYR QE 1 97 GLY QA . . 4.930 4.639 3.862 4.936 0.006 16 0 "[ . 1 . 2]" 1
1714 1 93 TYR QE 1 108 LEU QD . . 4.340 2.543 2.388 3.898 . 0 0 "[ . 1 . 2]" 1
1715 1 94 GLY QA 1 95 ALA MB . . 4.280 3.744 3.724 3.771 . 0 0 "[ . 1 . 2]" 1
1716 1 95 ALA HA 1 104 PRO QB . . 3.790 2.803 1.948 3.562 . 0 0 "[ . 1 . 2]" 1
1717 1 97 GLY QA 1 98 ALA H . . 3.080 2.252 2.151 2.283 . 0 0 "[ . 1 . 2]" 1
1718 1 97 GLY QA 1 98 ALA MB . . 4.220 3.719 3.670 3.789 . 0 0 "[ . 1 . 2]" 1
1719 1 97 GLY QA 1 102 ILE MG . . 3.880 3.340 2.999 3.637 . 0 0 "[ . 1 . 2]" 1
1720 1 98 ALA MB 1 99 GLY QA . . 4.690 3.485 3.326 3.600 . 0 0 "[ . 1 . 2]" 1
1721 1 99 GLY QA 1 102 ILE H . . 5.340 4.451 3.732 5.136 . 0 0 "[ . 1 . 2]" 1
1722 1 100 GLY QA 1 102 ILE H . . 4.410 4.172 3.765 4.417 0.007 7 0 "[ . 1 . 2]" 1
1723 1 101 VAL H 1 101 VAL QG . . 3.380 2.185 1.910 2.789 . 0 0 "[ . 1 . 2]" 1
1724 1 101 VAL HA 1 101 VAL QG . . 3.130 2.107 2.033 2.294 . 0 0 "[ . 1 . 2]" 1
1725 1 101 VAL HB 1 102 ILE QG . . 4.410 2.917 2.476 4.195 . 0 0 "[ . 1 . 2]" 1
1726 1 102 ILE H 1 102 ILE QG . . 3.310 2.763 2.426 2.987 . 0 0 "[ . 1 . 2]" 1
1727 1 102 ILE MG 1 108 LEU QB . . 5.240 2.877 2.632 3.054 . 0 0 "[ . 1 . 2]" 1
1728 1 102 ILE MD 1 108 LEU QD . . 4.140 3.045 2.631 3.914 . 0 0 "[ . 1 . 2]" 1
1729 1 104 PRO QB 1 105 ASN H . . 3.940 2.699 2.470 2.894 . 0 0 "[ . 1 . 2]" 1
1730 1 108 LEU H 1 108 LEU QB . . 3.470 2.947 2.827 3.128 . 0 0 "[ . 1 . 2]" 1
1731 1 108 LEU QB 1 109 VAL H . . 3.640 2.913 2.318 3.017 . 0 0 "[ . 1 . 2]" 1
1732 1 108 LEU QD 1 109 VAL H . . 4.030 3.738 3.246 4.035 0.005 12 0 "[ . 1 . 2]" 1
1733 1 108 LEU QD 1 110 PHE QD . . 3.250 2.255 1.997 2.794 . 0 0 "[ . 1 . 2]" 1
1734 1 108 LEU QD 1 110 PHE HZ . . 4.720 3.711 3.517 4.455 . 0 0 "[ . 1 . 2]" 1
1735 1 109 VAL H 1 109 VAL QG . . 3.360 2.609 2.403 2.787 . 0 0 "[ . 1 . 2]" 1
1736 1 109 VAL HA 1 109 VAL QG . . 2.950 2.091 2.043 2.127 . 0 0 "[ . 1 . 2]" 1
1737 1 109 VAL QG 1 110 PHE H . . 3.340 2.349 2.039 2.640 . 0 0 "[ . 1 . 2]" 1
1738 1 109 VAL QG 1 110 PHE HA . . 4.140 3.569 3.424 3.743 . 0 0 "[ . 1 . 2]" 1
1739 1 109 VAL QG 1 111 GLU H . . 4.890 4.176 4.066 4.373 . 0 0 "[ . 1 . 2]" 1
1740 1 109 VAL QG 1 111 GLU HA . . 5.440 4.182 4.109 4.263 . 0 0 "[ . 1 . 2]" 1
1741 1 109 VAL QG 1 111 GLU HB2 . . 5.230 4.228 4.022 4.415 . 0 0 "[ . 1 . 2]" 1
1742 1 110 PHE H 1 110 PHE QB . . 3.630 2.431 2.344 2.527 . 0 0 "[ . 1 . 2]" 1
1743 1 110 PHE QB 1 111 GLU H . . 4.250 3.237 3.180 3.264 . 0 0 "[ . 1 . 2]" 1
1744 1 110 PHE QB 1 112 VAL QG . . 3.920 3.128 2.943 3.335 . 0 0 "[ . 1 . 2]" 1
1745 1 110 PHE QD 1 112 VAL QG . . 4.780 4.567 4.363 4.744 . 0 0 "[ . 1 . 2]" 1
1746 1 111 GLU H 1 111 GLU QG . . 4.440 3.941 3.904 4.025 . 0 0 "[ . 1 . 2]" 1
1747 1 111 GLU H 1 112 VAL QG . . 4.820 4.422 4.279 4.570 . 0 0 "[ . 1 . 2]" 1
1748 1 111 GLU HA 1 111 GLU QG . . 3.400 2.166 2.083 2.270 . 0 0 "[ . 1 . 2]" 1
1749 1 111 GLU HA 1 112 VAL QG . . 4.570 3.679 3.584 3.823 . 0 0 "[ . 1 . 2]" 1
1750 1 111 GLU QG 1 112 VAL H . . 3.810 3.300 3.018 3.645 . 0 0 "[ . 1 . 2]" 1
1751 1 112 VAL H 1 112 VAL QG . . 3.430 2.397 2.257 2.497 . 0 0 "[ . 1 . 2]" 1
1752 1 112 VAL QG 1 113 GLU H . . 3.460 2.654 2.468 2.810 . 0 0 "[ . 1 . 2]" 1
1753 1 112 VAL QG 1 113 GLU HA . . 4.930 3.604 3.445 3.784 . 0 0 "[ . 1 . 2]" 1
1754 1 112 VAL QG 1 114 LEU H . . 4.410 3.801 3.348 4.077 . 0 0 "[ . 1 . 2]" 1
1755 1 113 GLU H 1 113 GLU QB . . 3.580 2.864 2.487 3.134 . 0 0 "[ . 1 . 2]" 1
1756 1 113 GLU QG 1 114 LEU H . . 4.970 3.852 2.801 4.491 . 0 0 "[ . 1 . 2]" 1
1757 1 114 LEU H 1 114 LEU QD . . 4.330 2.865 1.996 3.698 . 0 0 "[ . 1 . 2]" 1
1758 1 114 LEU QD 1 115 LEU H . . 3.760 2.490 2.029 3.728 . 0 0 "[ . 1 . 2]" 1
1759 1 114 LEU QD 1 116 ASP H . . 4.240 2.966 2.159 4.238 . 0 0 "[ . 1 . 2]" 1
1760 1 115 LEU H 1 115 LEU QD . . 3.990 3.064 2.785 3.352 . 0 0 "[ . 1 . 2]" 1
1761 1 115 LEU QB 1 116 ASP QB . . 4.490 3.209 3.135 3.388 . 0 0 "[ . 1 . 2]" 1
1762 1 115 LEU QD 1 116 ASP H . . 3.920 3.800 3.458 3.949 0.029 10 0 "[ . 1 . 2]" 1
1763 1 115 LEU QD 1 116 ASP QB . . 4.850 4.350 4.182 4.539 . 0 0 "[ . 1 . 2]" 1
1764 1 116 ASP H 1 116 ASP QB . . 3.560 2.898 2.689 3.158 . 0 0 "[ . 1 . 2]" 1
1765 1 116 ASP HA 1 117 VAL QG . . 3.930 3.264 3.159 3.364 . 0 0 "[ . 1 . 2]" 1
1766 1 116 ASP QB 1 117 VAL H . . 4.110 3.027 2.510 3.437 . 0 0 "[ . 1 . 2]" 1
1767 1 116 ASP QB 1 117 VAL QG . . 5.280 4.012 3.568 4.224 . 0 0 "[ . 1 . 2]" 1
1768 1 117 VAL H 1 117 VAL QG . . 3.130 2.013 1.878 2.195 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 78
_Distance_constraint_stats_list.Viol_count 1512
_Distance_constraint_stats_list.Viol_total 5971.250
_Distance_constraint_stats_list.Viol_max 0.446
_Distance_constraint_stats_list.Viol_rms 0.0987
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1914
_Distance_constraint_stats_list.Viol_average_violations_only 0.1975
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 15 LYS 11.522 0.366 9 0 "[ . 1 . 2]"
1 17 GLU 13.410 0.335 12 0 "[ . 1 . 2]"
1 19 LEU 6.872 0.259 5 0 "[ . 1 . 2]"
1 20 THR 9.693 0.293 8 0 "[ . 1 . 2]"
1 25 ALA 6.690 0.236 11 0 "[ . 1 . 2]"
1 27 ALA 11.181 0.336 18 0 "[ . 1 . 2]"
1 28 ARG 10.330 0.344 3 0 "[ . 1 . 2]"
1 31 GLN 20.175 0.344 3 0 "[ . 1 . 2]"
1 33 VAL 10.726 0.308 5 0 "[ . 1 . 2]"
1 34 SER 17.708 0.292 19 0 "[ . 1 . 2]"
1 35 VAL 8.991 0.289 14 0 "[ . 1 . 2]"
1 36 HIS 16.634 0.305 19 0 "[ . 1 . 2]"
1 38 THR 15.313 0.356 7 0 "[ . 1 . 2]"
1 39 GLY 4.759 0.227 18 0 "[ . 1 . 2]"
1 40 TRP 16.720 0.342 20 0 "[ . 1 . 2]"
1 41 LEU 1.240 0.070 3 0 "[ . 1 . 2]"
1 45 GLN 1.240 0.070 3 0 "[ . 1 . 2]"
1 48 ASP 4.759 0.227 18 0 "[ . 1 . 2]"
1 57 PHE 8.991 0.289 14 0 "[ . 1 . 2]"
1 59 PHE 10.726 0.308 5 0 "[ . 1 . 2]"
1 61 LEU 9.845 0.316 7 0 "[ . 1 . 2]"
1 67 ILE 20.442 0.446 12 0 "[ . 1 . 2]"
1 68 LYS 2.527 0.232 9 0 "[ . 1 . 2]"
1 69 GLY 14.000 0.436 11 0 "[ . 1 . 2]"
1 70 TRP 14.515 0.446 12 0 "[ . 1 . 2]"
1 71 ASP 19.793 0.347 11 0 "[ . 1 . 2]"
1 72 GLU 2.527 0.232 9 0 "[ . 1 . 2]"
1 73 GLY 24.775 0.436 11 0 "[ . 1 . 2]"
1 74 VAL 4.371 0.291 12 0 "[ . 1 . 2]"
1 75 GLN 9.495 0.347 11 0 "[ . 1 . 2]"
1 77 MET 21.956 0.358 13 0 "[ . 1 . 2]"
1 78 LYS 3.137 0.203 13 0 "[ . 1 . 2]"
1 79 VAL 6.690 0.236 11 0 "[ . 1 . 2]"
1 80 GLY 5.540 0.227 2 0 "[ . 1 . 2]"
1 81 GLY 12.751 0.319 10 0 "[ . 1 . 2]"
1 82 VAL 16.565 0.293 8 0 "[ . 1 . 2]"
1 83 ARG 17.678 0.304 15 0 "[ . 1 . 2]"
1 84 ARG 13.410 0.335 12 0 "[ . 1 . 2]"
1 85 LEU 3.124 0.184 7 0 "[ . 1 . 2]"
1 86 THR 11.522 0.366 9 0 "[ . 1 . 2]"
1 87 ILE 20.147 0.428 19 0 "[ . 1 . 2]"
1 98 ALA 6.078 0.282 2 0 "[ . 1 . 2]"
1 102 ILE 6.078 0.282 2 0 "[ . 1 . 2]"
1 108 LEU 20.147 0.428 19 0 "[ . 1 . 2]"
1 109 VAL 16.720 0.342 20 0 "[ . 1 . 2]"
1 110 PHE 3.124 0.184 7 0 "[ . 1 . 2]"
1 111 GLU 15.313 0.356 7 0 "[ . 1 . 2]"
1 112 VAL 17.678 0.304 15 0 "[ . 1 . 2]"
1 113 GLU 16.634 0.305 19 0 "[ . 1 . 2]"
1 114 LEU 15.154 0.319 10 0 "[ . 1 . 2]"
1 115 LEU 8.611 0.284 18 0 "[ . 1 . 2]"
1 116 ASP 9.097 0.292 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 LYS H 1 86 THR O . . 1.800 2.056 2.025 2.094 0.294 20 0 "[ . 1 . 2]" 2
2 1 15 LYS N 1 86 THR O . . 2.700 3.020 2.981 3.066 0.366 9 0 "[ . 1 . 2]" 2
3 1 17 GLU H 1 84 ARG O . . 1.800 1.906 1.799 2.010 0.210 12 0 "[ . 1 . 2]" 2
4 1 17 GLU N 1 84 ARG O . . 2.700 2.849 2.741 2.960 0.260 12 0 "[ . 1 . 2]" 2
5 1 19 LEU H 1 82 VAL O . . 1.800 2.003 1.873 2.059 0.259 5 0 "[ . 1 . 2]" 2
6 1 19 LEU N 1 82 VAL O . . 2.700 2.841 2.740 2.918 0.218 17 0 "[ . 1 . 2]" 2
7 1 20 THR H 1 82 VAL O . . 1.800 1.879 1.792 2.039 0.239 8 0 "[ . 1 . 2]" 2
8 1 20 THR N 1 82 VAL O . . 2.700 2.812 2.731 2.993 0.293 8 0 "[ . 1 . 2]" 2
9 1 27 ALA H 1 77 MET O . . 1.800 2.057 2.031 2.095 0.295 16 0 "[ . 1 . 2]" 2
10 1 27 ALA N 1 77 MET O . . 2.700 3.002 2.956 3.036 0.336 18 0 "[ . 1 . 2]" 2
11 1 28 ARG O 1 31 GLN H . . 1.800 2.057 2.020 2.108 0.308 6 0 "[ . 1 . 2]" 2
12 1 28 ARG O 1 31 GLN N . . 2.700 2.960 2.866 3.044 0.344 3 0 "[ . 1 . 2]" 2
13 1 34 SER H 1 116 ASP O . . 1.800 1.997 1.953 2.023 0.223 18 0 "[ . 1 . 2]" 2
14 1 34 SER N 1 116 ASP O . . 2.700 2.958 2.886 2.992 0.292 19 0 "[ . 1 . 2]" 2
15 1 35 VAL H 1 57 PHE O . . 1.800 1.990 1.876 2.022 0.222 13 0 "[ . 1 . 2]" 2
16 1 35 VAL N 1 57 PHE O . . 2.700 2.960 2.848 2.989 0.289 14 0 "[ . 1 . 2]" 2
17 1 36 HIS H 1 113 GLU O . . 1.800 1.979 1.851 2.059 0.259 19 0 "[ . 1 . 2]" 2
18 1 36 HIS N 1 113 GLU O . . 2.700 2.911 2.737 3.005 0.305 19 0 "[ . 1 . 2]" 2
19 1 38 THR H 1 111 GLU O . . 1.800 2.107 2.054 2.156 0.356 7 0 "[ . 1 . 2]" 2
20 1 38 THR N 1 111 GLU O . . 2.700 2.896 2.837 2.931 0.231 6 0 "[ . 1 . 2]" 2
21 1 39 GLY H 1 48 ASP O . . 1.800 1.975 1.930 2.027 0.227 18 0 "[ . 1 . 2]" 2
22 1 39 GLY N 1 48 ASP O . . 2.700 2.763 2.737 2.839 0.139 15 0 "[ . 1 . 2]" 2
23 1 40 TRP H 1 109 VAL O . . 1.800 2.068 2.026 2.112 0.312 18 0 "[ . 1 . 2]" 2
24 1 40 TRP N 1 109 VAL O . . 2.700 2.716 2.694 2.747 0.047 19 0 "[ . 1 . 2]" 2
25 1 41 LEU H 1 45 GLN O . . 1.800 1.807 1.720 1.869 0.069 17 0 "[ . 1 . 2]" 2
26 1 41 LEU N 1 45 GLN O . . 2.700 2.744 2.681 2.770 0.070 3 0 "[ . 1 . 2]" 2
27 1 33 VAL O 1 59 PHE H . . 1.800 2.064 2.036 2.096 0.296 13 0 "[ . 1 . 2]" 2
28 1 33 VAL O 1 59 PHE N . . 2.700 2.972 2.939 3.008 0.308 5 0 "[ . 1 . 2]" 2
29 1 31 GLN O 1 61 LEU H . . 1.800 2.024 1.805 2.071 0.271 7 0 "[ . 1 . 2]" 2
30 1 31 GLN O 1 61 LEU N . . 2.700 2.968 2.768 3.016 0.316 7 0 "[ . 1 . 2]" 2
31 1 67 ILE O 1 70 TRP H . . 1.800 2.201 2.144 2.246 0.446 12 0 "[ . 1 . 2]" 2
32 1 67 ILE O 1 70 TRP N . . 2.700 2.806 2.767 2.828 0.128 12 0 "[ . 1 . 2]" 2
33 1 67 ILE O 1 71 ASP H . . 1.800 2.028 1.926 2.078 0.278 17 0 "[ . 1 . 2]" 2
34 1 67 ILE O 1 71 ASP N . . 2.700 2.987 2.892 3.042 0.342 17 0 "[ . 1 . 2]" 2
35 1 68 LYS O 1 72 GLU H . . 1.800 1.825 1.775 1.956 0.156 9 0 "[ . 1 . 2]" 2
36 1 68 LYS O 1 72 GLU N . . 2.700 2.796 2.746 2.932 0.232 9 0 "[ . 1 . 2]" 2
37 1 69 GLY O 1 73 GLY H . . 1.800 2.152 2.111 2.236 0.436 11 0 "[ . 1 . 2]" 2
38 1 69 GLY O 1 73 GLY N . . 2.700 3.048 3.005 3.092 0.392 12 0 "[ . 1 . 2]" 2
39 1 70 TRP O 1 74 VAL H . . 1.800 1.891 1.786 2.026 0.226 12 0 "[ . 1 . 2]" 2
40 1 70 TRP O 1 74 VAL N . . 2.700 2.826 2.733 2.991 0.291 12 0 "[ . 1 . 2]" 2
41 1 71 ASP O 1 75 GLN H . . 1.800 2.059 2.022 2.147 0.347 11 0 "[ . 1 . 2]" 2
42 1 71 ASP O 1 75 GLN N . . 2.700 2.916 2.836 3.030 0.330 7 0 "[ . 1 . 2]" 2
43 1 73 GLY O 1 77 MET H . . 1.800 2.079 1.784 2.153 0.353 6 0 "[ . 1 . 2]" 2
44 1 73 GLY O 1 77 MET N . . 2.700 2.959 2.741 3.058 0.358 13 0 "[ . 1 . 2]" 2
45 1 25 ALA O 1 79 VAL H . . 1.800 1.992 1.840 2.036 0.236 11 0 "[ . 1 . 2]" 2
46 1 25 ALA O 1 79 VAL N . . 2.700 2.843 2.738 2.934 0.234 11 0 "[ . 1 . 2]" 2
47 1 80 GLY H 1 114 LEU O . . 1.800 1.991 1.870 2.027 0.227 2 0 "[ . 1 . 2]" 2
48 1 80 GLY N 1 114 LEU O . . 2.700 2.786 2.741 2.903 0.203 3 0 "[ . 1 . 2]" 2
49 1 78 LYS O 1 81 GLY H . . 1.800 1.889 1.831 2.003 0.203 13 0 "[ . 1 . 2]" 2
50 1 78 LYS O 1 81 GLY N . . 2.700 2.768 2.701 2.896 0.196 13 0 "[ . 1 . 2]" 2
51 1 20 THR O 1 82 VAL H . . 1.800 1.951 1.832 2.010 0.210 13 0 "[ . 1 . 2]" 2
52 1 20 THR O 1 82 VAL N . . 2.700 2.842 2.739 2.977 0.277 1 0 "[ . 1 . 2]" 2
53 1 83 ARG H 1 112 VAL O . . 1.800 2.004 1.938 2.052 0.252 19 0 "[ . 1 . 2]" 2
54 1 83 ARG N 1 112 VAL O . . 2.700 2.908 2.813 2.998 0.298 13 0 "[ . 1 . 2]" 2
55 1 17 GLU O 1 84 ARG H . . 1.800 2.029 1.999 2.135 0.335 12 0 "[ . 1 . 2]" 2
56 1 17 GLU O 1 84 ARG N . . 2.700 2.887 2.776 2.974 0.274 1 0 "[ . 1 . 2]" 2
57 1 85 LEU H 1 110 PHE O . . 1.800 1.866 1.789 1.984 0.184 7 0 "[ . 1 . 2]" 2
58 1 85 LEU N 1 110 PHE O . . 2.700 2.742 2.683 2.825 0.125 7 0 "[ . 1 . 2]" 2
59 1 87 ILE H 1 108 LEU O . . 1.800 2.059 2.017 2.081 0.281 1 0 "[ . 1 . 2]" 2
60 1 87 ILE N 1 108 LEU O . . 2.700 2.961 2.927 2.996 0.296 16 0 "[ . 1 . 2]" 2
61 1 98 ALA H 1 102 ILE O . . 1.800 1.936 1.799 2.041 0.241 7 0 "[ . 1 . 2]" 2
62 1 98 ALA N 1 102 ILE O . . 2.700 2.868 2.750 2.982 0.282 2 0 "[ . 1 . 2]" 2
63 1 87 ILE O 1 108 LEU H . . 1.800 2.026 2.003 2.169 0.369 19 0 "[ . 1 . 2]" 2
64 1 87 ILE O 1 108 LEU N . . 2.700 2.962 2.882 3.128 0.428 19 0 "[ . 1 . 2]" 2
65 1 40 TRP O 1 109 VAL H . . 1.800 2.041 2.017 2.066 0.266 20 0 "[ . 1 . 2]" 2
66 1 40 TRP O 1 109 VAL N . . 2.700 3.011 2.978 3.042 0.342 20 0 "[ . 1 . 2]" 2
67 1 85 LEU O 1 110 PHE H . . 1.800 1.810 1.787 1.866 0.066 15 0 "[ . 1 . 2]" 2
68 1 85 LEU O 1 110 PHE N . . 2.700 2.731 2.708 2.757 0.057 4 0 "[ . 1 . 2]" 2
69 1 38 THR O 1 111 GLU H . . 1.800 1.934 1.867 2.015 0.215 3 0 "[ . 1 . 2]" 2
70 1 38 THR O 1 111 GLU N . . 2.700 2.828 2.748 2.914 0.214 3 0 "[ . 1 . 2]" 2
71 1 83 ARG O 1 112 VAL H . . 1.800 2.037 1.940 2.083 0.283 16 0 "[ . 1 . 2]" 2
72 1 83 ARG O 1 112 VAL N . . 2.700 2.935 2.816 3.004 0.304 15 0 "[ . 1 . 2]" 2
73 1 36 HIS O 1 113 GLU H . . 1.800 2.022 1.998 2.055 0.255 16 0 "[ . 1 . 2]" 2
74 1 36 HIS O 1 113 GLU N . . 2.700 2.919 2.827 2.981 0.281 17 0 "[ . 1 . 2]" 2
75 1 81 GLY O 1 114 LEU H . . 1.800 2.036 1.939 2.116 0.316 15 0 "[ . 1 . 2]" 2
76 1 81 GLY O 1 114 LEU N . . 2.700 2.945 2.808 3.019 0.319 10 0 "[ . 1 . 2]" 2
77 1 34 SER O 1 115 LEU H . . 1.800 2.009 1.793 2.058 0.258 11 0 "[ . 1 . 2]" 2
78 1 34 SER O 1 115 LEU N . . 2.700 2.922 2.728 2.984 0.284 18 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 16, 2024 1:49:14 PM GMT (wattos1)