NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402118 |
1we7   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1we7
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 1812
_Distance_constraint_stats_list.Viol_count 893
_Distance_constraint_stats_list.Viol_total 416.607
_Distance_constraint_stats_list.Viol_max 0.365
_Distance_constraint_stats_list.Viol_rms 0.0075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0233
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 5.940 0.365 11 0 "[ . 1 . 2]"
1 9 GLU 4.094 0.365 11 0 "[ . 1 . 2]"
1 10 ASP 0.095 0.089 2 0 "[ . 1 . 2]"
1 11 SER 0.022 0.019 18 0 "[ . 1 . 2]"
1 12 LEU 0.061 0.019 18 0 "[ . 1 . 2]"
1 13 MET 0.657 0.118 7 0 "[ . 1 . 2]"
1 14 PRO 0.643 0.118 7 0 "[ . 1 . 2]"
1 15 GLU 0.482 0.032 5 0 "[ . 1 . 2]"
1 16 GLU 0.860 0.210 8 0 "[ . 1 . 2]"
1 17 GLU 0.379 0.057 8 0 "[ . 1 . 2]"
1 18 PHE 0.283 0.040 16 0 "[ . 1 . 2]"
1 19 LEU 0.407 0.040 16 0 "[ . 1 . 2]"
1 20 ARG 0.214 0.052 20 0 "[ . 1 . 2]"
1 21 ARG 0.336 0.118 19 0 "[ . 1 . 2]"
1 22 ASN 0.158 0.033 8 0 "[ . 1 . 2]"
1 23 LYS 0.617 0.105 4 0 "[ . 1 . 2]"
1 24 GLY 0.370 0.091 8 0 "[ . 1 . 2]"
1 25 PRO 0.011 0.011 8 0 "[ . 1 . 2]"
1 26 VAL 0.112 0.019 13 0 "[ . 1 . 2]"
1 27 SER 0.138 0.015 4 0 "[ . 1 . 2]"
1 28 ILE 0.036 0.010 9 0 "[ . 1 . 2]"
1 29 LYS 0.769 0.142 17 0 "[ . 1 . 2]"
1 30 VAL 0.294 0.031 1 0 "[ . 1 . 2]"
1 31 GLN 0.053 0.022 1 0 "[ . 1 . 2]"
1 32 VAL 0.131 0.023 19 0 "[ . 1 . 2]"
1 33 PRO 0.301 0.046 18 0 "[ . 1 . 2]"
1 34 ASN 0.136 0.066 5 0 "[ . 1 . 2]"
1 35 MET 0.415 0.068 9 0 "[ . 1 . 2]"
1 36 GLN 0.884 0.122 20 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 0.916 0.104 4 0 "[ . 1 . 2]"
1 39 THR 1.294 0.104 4 0 "[ . 1 . 2]"
1 40 GLU 0.512 0.087 5 0 "[ . 1 . 2]"
1 41 TRP 0.159 0.017 2 0 "[ . 1 . 2]"
1 42 LYS 0.149 0.029 19 0 "[ . 1 . 2]"
1 43 LEU 0.453 0.046 18 0 "[ . 1 . 2]"
1 44 ASN 0.468 0.030 19 0 "[ . 1 . 2]"
1 45 GLY 0.041 0.012 12 0 "[ . 1 . 2]"
1 46 GLN 0.487 0.030 19 0 "[ . 1 . 2]"
1 47 GLY 0.046 0.026 4 0 "[ . 1 . 2]"
1 48 LEU 0.101 0.016 20 0 "[ . 1 . 2]"
1 49 VAL 0.166 0.091 19 0 "[ . 1 . 2]"
1 50 PHE 0.099 0.017 4 0 "[ . 1 . 2]"
1 51 THR 0.254 0.062 6 0 "[ . 1 . 2]"
1 52 LEU 0.162 0.043 16 0 "[ . 1 . 2]"
1 53 PRO 0.057 0.041 8 0 "[ . 1 . 2]"
1 54 LEU 0.232 0.033 8 0 "[ . 1 . 2]"
1 55 THR 0.229 0.041 8 0 "[ . 1 . 2]"
1 56 ASP 0.091 0.031 1 0 "[ . 1 . 2]"
1 57 GLN 0.006 0.005 4 0 "[ . 1 . 2]"
1 58 VAL 0.170 0.033 16 0 "[ . 1 . 2]"
1 59 SER 0.053 0.021 2 0 "[ . 1 . 2]"
1 60 VAL 0.113 0.023 17 0 "[ . 1 . 2]"
1 61 ILE 0.047 0.022 8 0 "[ . 1 . 2]"
1 62 LYS 0.100 0.025 16 0 "[ . 1 . 2]"
1 63 VAL 0.750 0.210 13 0 "[ . 1 . 2]"
1 64 LYS 0.704 0.210 13 0 "[ . 1 . 2]"
1 65 ILE 0.085 0.011 18 0 "[ . 1 . 2]"
1 66 HIS 0.028 0.008 8 0 "[ . 1 . 2]"
1 67 GLU 1.166 0.091 14 0 "[ . 1 . 2]"
1 68 ALA 1.180 0.091 14 0 "[ . 1 . 2]"
1 69 THR 0.061 0.011 18 0 "[ . 1 . 2]"
1 70 GLY 0.043 0.011 18 0 "[ . 1 . 2]"
1 71 MET 0.064 0.010 17 0 "[ . 1 . 2]"
1 72 PRO 0.010 0.004 7 0 "[ . 1 . 2]"
1 73 ALA 0.055 0.008 12 0 "[ . 1 . 2]"
1 74 GLY 0.002 0.002 1 0 "[ . 1 . 2]"
1 75 LYS 0.083 0.017 2 0 "[ . 1 . 2]"
1 76 GLN 0.275 0.065 10 0 "[ . 1 . 2]"
1 77 LYS 0.357 0.142 15 0 "[ . 1 . 2]"
1 78 LEU 0.083 0.025 15 0 "[ . 1 . 2]"
1 79 GLN 0.341 0.133 15 0 "[ . 1 . 2]"
1 80 TYR 0.235 0.040 16 0 "[ . 1 . 2]"
1 81 GLU 0.017 0.013 5 0 "[ . 1 . 2]"
1 82 GLY 0.046 0.021 15 0 "[ . 1 . 2]"
1 83 ILE 0.421 0.040 16 0 "[ . 1 . 2]"
1 84 PHE 0.537 0.142 15 0 "[ . 1 . 2]"
1 85 ILE 0.119 0.024 15 0 "[ . 1 . 2]"
1 86 LYS 0.526 0.212 16 0 "[ . 1 . 2]"
1 87 ASP 0.157 0.035 16 0 "[ . 1 . 2]"
1 88 SER 0.005 0.003 7 0 "[ . 1 . 2]"
1 89 ASN 0.406 0.212 16 0 "[ . 1 . 2]"
1 90 SER 0.118 0.043 7 0 "[ . 1 . 2]"
1 91 LEU 0.255 0.043 7 0 "[ . 1 . 2]"
1 92 ALA 0.047 0.032 16 0 "[ . 1 . 2]"
1 93 TYR 0.096 0.014 14 0 "[ . 1 . 2]"
1 94 TYR 0.025 0.011 9 0 "[ . 1 . 2]"
1 95 ASN 0.033 0.025 14 0 "[ . 1 . 2]"
1 96 MET 0.031 0.015 16 0 "[ . 1 . 2]"
1 97 ALA 0.014 0.011 2 0 "[ . 1 . 2]"
1 98 SER 0.116 0.019 13 0 "[ . 1 . 2]"
1 99 GLY 0.062 0.014 19 0 "[ . 1 . 2]"
1 100 ALA 0.024 0.007 14 0 "[ . 1 . 2]"
1 101 VAL 0.076 0.026 8 0 "[ . 1 . 2]"
1 102 ILE 0.065 0.020 17 0 "[ . 1 . 2]"
1 103 HIS 0.061 0.022 15 0 "[ . 1 . 2]"
1 104 LEU 0.567 0.065 10 0 "[ . 1 . 2]"
1 105 ALA 0.199 0.040 17 0 "[ . 1 . 2]"
1 106 LEU 0.694 0.057 19 0 "[ . 1 . 2]"
1 107 LYS 0.027 0.013 6 0 "[ . 1 . 2]"
1 108 GLU 0.000 0.000 20 0 "[ . 1 . 2]"
1 109 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 GLY 0.000 0.000 . 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 1 104 LEU HA 1 105 ALA H . . 3.100 2.195 2.150 2.220 . 0 0 "[ . 1 . 2]" 1
2 1 77 LYS HB3 1 105 ALA H . . 4.470 3.559 2.833 4.258 . 0 0 "[ . 1 . 2]" 1
3 1 105 ALA H 1 105 ALA MB . . 3.520 2.633 2.451 2.761 . 0 0 "[ . 1 . 2]" 1
4 1 104 LEU HG 1 105 ALA H . . 4.190 2.888 2.498 4.230 0.040 17 0 "[ . 1 . 2]" 1
5 1 78 LEU MD2 1 105 ALA H . . 4.170 3.964 3.126 4.195 0.025 15 0 "[ . 1 . 2]" 1
6 1 65 ILE HA 1 69 THR H . . 3.790 3.611 3.307 3.770 . 0 0 "[ . 1 . 2]" 1
7 1 65 ILE MG 1 69 THR H . . 4.670 3.421 3.217 3.578 . 0 0 "[ . 1 . 2]" 1
8 1 81 GLU H 1 82 GLY H . . 4.050 2.796 2.613 2.984 . 0 0 "[ . 1 . 2]" 1
9 1 79 GLN HB3 1 82 GLY H . . 4.980 4.467 3.466 4.979 . 0 0 "[ . 1 . 2]" 1
10 1 81 GLU HB3 1 82 GLY H . . 4.580 4.395 4.332 4.558 . 0 0 "[ . 1 . 2]" 1
11 1 29 LYS H 1 102 ILE H . . 4.540 2.930 2.652 3.342 . 0 0 "[ . 1 . 2]" 1
12 1 101 VAL HA 1 102 ILE H . . 3.160 2.150 2.140 2.169 . 0 0 "[ . 1 . 2]" 1
13 1 102 ILE H 1 102 ILE HB . . 3.620 2.534 2.486 2.597 . 0 0 "[ . 1 . 2]" 1
14 1 101 VAL MG1 1 102 ILE H . . 4.460 4.123 3.997 4.172 . 0 0 "[ . 1 . 2]" 1
15 1 30 VAL MG2 1 102 ILE H . . 4.170 3.764 3.584 3.954 . 0 0 "[ . 1 . 2]" 1
16 1 102 ILE H 1 102 ILE MD . . 3.920 3.552 3.246 3.709 . 0 0 "[ . 1 . 2]" 1
17 1 79 GLN HA 1 80 TYR H . . 2.970 2.178 2.139 2.278 . 0 0 "[ . 1 . 2]" 1
18 1 80 TYR H 1 80 TYR HB3 . . 3.830 2.578 2.233 2.794 . 0 0 "[ . 1 . 2]" 1
19 1 79 GLN HG2 1 80 TYR H . . 3.690 2.782 2.146 3.678 . 0 0 "[ . 1 . 2]" 1
20 1 80 TYR H 1 85 ILE MG . . 4.230 3.422 2.960 3.909 . 0 0 "[ . 1 . 2]" 1
21 1 79 GLN HG3 1 80 TYR H . . 3.690 3.512 3.107 3.696 0.006 18 0 "[ . 1 . 2]" 1
22 1 80 TYR H 1 83 ILE MD . . 4.870 4.768 4.464 4.910 0.040 16 0 "[ . 1 . 2]" 1
23 1 80 TYR H 1 85 ILE HG12 . . 4.020 3.154 2.241 3.846 . 0 0 "[ . 1 . 2]" 1
24 1 73 ALA HA 1 74 GLY H . . 3.360 2.733 2.475 2.850 . 0 0 "[ . 1 . 2]" 1
25 1 72 PRO HB2 1 74 GLY H . . 4.240 2.904 2.582 3.641 . 0 0 "[ . 1 . 2]" 1
26 1 73 ALA MB 1 74 GLY H . . 3.720 3.701 3.668 3.720 . 0 0 "[ . 1 . 2]" 1
27 1 84 PHE H 1 84 PHE HB2 . . 4.020 2.404 2.220 2.669 . 0 0 "[ . 1 . 2]" 1
28 1 84 PHE H 1 84 PHE HB3 . . 4.020 3.559 2.424 3.696 . 0 0 "[ . 1 . 2]" 1
29 1 84 PHE H 1 84 PHE QD . . 4.210 3.186 2.546 4.184 . 0 0 "[ . 1 . 2]" 1
30 1 14 PRO HB3 1 15 GLU H . . 4.550 3.184 3.138 3.225 . 0 0 "[ . 1 . 2]" 1
31 1 15 GLU H 1 15 GLU QB . . 3.180 2.369 2.288 2.459 . 0 0 "[ . 1 . 2]" 1
32 1 83 ILE MG 1 84 PHE H . . 3.640 2.220 1.848 3.043 . 0 0 "[ . 1 . 2]" 1
33 1 83 ILE HA 1 84 PHE H . . 3.170 2.230 2.141 2.337 . 0 0 "[ . 1 . 2]" 1
34 1 31 GLN H 1 102 ILE H . . 4.430 4.141 3.730 4.434 0.004 10 0 "[ . 1 . 2]" 1
35 1 30 VAL HA 1 31 GLN H . . 3.010 2.158 2.145 2.160 . 0 0 "[ . 1 . 2]" 1
36 1 31 GLN H 1 31 GLN HB2 . . 3.750 2.373 2.192 2.525 . 0 0 "[ . 1 . 2]" 1
37 1 31 GLN H 1 31 GLN HB3 . . 3.750 2.764 2.562 3.474 . 0 0 "[ . 1 . 2]" 1
38 1 30 VAL MG2 1 31 GLN H . . 4.160 4.124 4.086 4.182 0.022 1 0 "[ . 1 . 2]" 1
39 1 30 VAL MG1 1 31 GLN H . . 3.520 2.955 2.865 2.983 . 0 0 "[ . 1 . 2]" 1
40 1 31 GLN H 1 101 VAL MG2 . . 4.480 3.581 3.122 3.783 . 0 0 "[ . 1 . 2]" 1
41 1 31 GLN H 1 103 HIS HA . . 3.820 2.856 2.629 3.093 . 0 0 "[ . 1 . 2]" 1
42 1 80 TYR HA 1 81 GLU H . . 3.320 2.156 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
43 1 103 HIS HA 1 104 LEU H . . 3.180 2.156 2.139 2.194 . 0 0 "[ . 1 . 2]" 1
44 1 103 HIS HB2 1 104 LEU H . . 4.270 4.218 3.972 4.286 0.016 15 0 "[ . 1 . 2]" 1
45 1 104 LEU H 1 104 LEU HB2 . . 3.550 2.613 2.320 2.857 . 0 0 "[ . 1 . 2]" 1
46 1 104 LEU H 1 104 LEU HG . . 4.590 4.467 4.269 4.627 0.037 17 0 "[ . 1 . 2]" 1
47 1 104 LEU H 1 104 LEU HB3 . . 3.550 2.582 2.334 2.936 . 0 0 "[ . 1 . 2]" 1
48 1 104 LEU H 1 104 LEU MD1 . . 5.000 4.139 3.951 4.271 . 0 0 "[ . 1 . 2]" 1
49 1 104 LEU H 1 104 LEU MD2 . . 5.000 4.235 3.945 4.336 . 0 0 "[ . 1 . 2]" 1
50 1 30 VAL MG1 1 104 LEU H . . 4.020 3.811 3.450 4.031 0.011 10 0 "[ . 1 . 2]" 1
51 1 79 GLN H 1 103 HIS H . . 4.060 3.636 3.323 4.082 0.022 15 0 "[ . 1 . 2]" 1
52 1 103 HIS H 1 103 HIS HD2 . . 4.150 2.777 2.064 3.528 . 0 0 "[ . 1 . 2]" 1
53 1 102 ILE HA 1 103 HIS H . . 3.160 2.154 2.141 2.176 . 0 0 "[ . 1 . 2]" 1
54 1 103 HIS H 1 103 HIS HB2 . . 3.680 2.458 2.262 2.615 . 0 0 "[ . 1 . 2]" 1
55 1 103 HIS H 1 103 HIS HB3 . . 3.680 3.602 3.546 3.625 . 0 0 "[ . 1 . 2]" 1
56 1 102 ILE MG 1 103 HIS H . . 3.640 2.966 2.755 3.122 . 0 0 "[ . 1 . 2]" 1
57 1 102 ILE MD 1 103 HIS H . . 3.890 3.702 3.571 3.798 . 0 0 "[ . 1 . 2]" 1
58 1 80 TYR QD 1 81 GLU H . . 4.270 3.055 2.545 3.398 . 0 0 "[ . 1 . 2]" 1
59 1 66 HIS H 1 76 GLN HE22 . . 4.340 3.184 2.624 3.745 . 0 0 "[ . 1 . 2]" 1
60 1 66 HIS H 1 66 HIS HB3 . . 3.380 2.607 2.351 2.783 . 0 0 "[ . 1 . 2]" 1
61 1 66 HIS H 1 66 HIS HB2 . . 3.460 2.481 2.345 2.746 . 0 0 "[ . 1 . 2]" 1
62 1 65 ILE HB 1 66 HIS H . . 3.690 2.204 1.979 2.588 . 0 0 "[ . 1 . 2]" 1
63 1 66 HIS H 1 76 GLN HE21 . . 4.340 4.297 3.993 4.348 0.008 8 0 "[ . 1 . 2]" 1
64 1 63 VAL HA 1 66 HIS H . . 4.020 3.860 3.545 4.017 . 0 0 "[ . 1 . 2]" 1
65 1 65 ILE MG 1 66 HIS H . . 4.230 3.078 2.862 3.415 . 0 0 "[ . 1 . 2]" 1
66 1 106 LEU HA 1 107 LYS H . . 3.020 2.169 2.138 2.263 . 0 0 "[ . 1 . 2]" 1
67 1 107 LYS H 1 107 LYS HB2 . . 3.340 2.477 2.285 2.673 . 0 0 "[ . 1 . 2]" 1
68 1 107 LYS H 1 107 LYS HB3 . . 3.340 2.596 2.409 2.810 . 0 0 "[ . 1 . 2]" 1
69 1 72 PRO HA 1 73 ALA H . . 3.000 2.293 2.230 2.360 . 0 0 "[ . 1 . 2]" 1
70 1 72 PRO HB3 1 73 ALA H . . 3.980 3.618 3.510 3.734 . 0 0 "[ . 1 . 2]" 1
71 1 73 ALA H 1 73 ALA MB . . 3.130 2.178 2.076 2.288 . 0 0 "[ . 1 . 2]" 1
72 1 12 LEU HA 1 13 MET H . . 3.100 2.283 2.148 2.506 . 0 0 "[ . 1 . 2]" 1
73 1 13 MET H 1 13 MET HB2 . . 3.790 2.411 2.145 3.534 . 0 0 "[ . 1 . 2]" 1
74 1 13 MET H 1 13 MET HB3 . . 3.790 3.131 2.154 3.502 . 0 0 "[ . 1 . 2]" 1
75 1 12 LEU HB2 1 13 MET H . . 4.390 4.041 3.596 4.353 . 0 0 "[ . 1 . 2]" 1
76 1 12 LEU HB3 1 13 MET H . . 4.390 2.836 2.217 3.346 . 0 0 "[ . 1 . 2]" 1
77 1 12 LEU MD2 1 13 MET H . . 4.020 2.917 2.375 3.383 . 0 0 "[ . 1 . 2]" 1
78 1 30 VAL HB 1 48 LEU H . . 4.190 2.747 2.514 3.043 . 0 0 "[ . 1 . 2]" 1
79 1 48 LEU H 1 48 LEU HG . . 3.440 2.689 2.325 2.812 . 0 0 "[ . 1 . 2]" 1
80 1 48 LEU H 1 48 LEU HB2 . . 3.550 2.613 2.571 2.685 . 0 0 "[ . 1 . 2]" 1
81 1 48 LEU H 1 48 LEU HB3 . . 3.850 3.728 3.681 3.764 . 0 0 "[ . 1 . 2]" 1
82 1 48 LEU H 1 48 LEU MD1 . . 4.090 3.904 3.733 4.023 . 0 0 "[ . 1 . 2]" 1
83 1 30 VAL MG1 1 48 LEU H . . 4.090 3.625 3.403 3.941 . 0 0 "[ . 1 . 2]" 1
84 1 48 LEU H 1 48 LEU MD2 . . 3.640 3.590 3.086 3.653 0.013 14 0 "[ . 1 . 2]" 1
85 1 35 MET H 1 43 LEU HB3 . . 3.870 2.674 2.041 3.168 . 0 0 "[ . 1 . 2]" 1
86 1 35 MET H 1 36 GLN H . . 4.180 4.163 4.011 4.225 0.045 10 0 "[ . 1 . 2]" 1
87 1 34 ASN HA 1 35 MET H . . 3.180 2.177 2.141 2.233 . 0 0 "[ . 1 . 2]" 1
88 1 35 MET H 1 35 MET HB3 . . 3.880 3.479 2.551 3.635 . 0 0 "[ . 1 . 2]" 1
89 1 99 GLY H 1 100 ALA H . . 3.340 2.812 2.448 3.083 . 0 0 "[ . 1 . 2]" 1
90 1 98 SER HA 1 100 ALA H . . 3.710 3.471 3.277 3.667 . 0 0 "[ . 1 . 2]" 1
91 1 100 ALA H 1 100 ALA MB . . 3.040 2.155 2.033 2.316 . 0 0 "[ . 1 . 2]" 1
92 1 28 ILE MG 1 100 ALA H . . 4.050 3.077 2.898 3.429 . 0 0 "[ . 1 . 2]" 1
93 1 107 LYS HA 1 108 GLU H . . 3.330 2.197 2.142 2.271 . 0 0 "[ . 1 . 2]" 1
94 1 108 GLU H 1 108 GLU HG2 . . 5.270 3.614 2.012 4.670 . 0 0 "[ . 1 . 2]" 1
95 1 108 GLU H 1 108 GLU HG3 . . 5.270 3.680 1.895 4.549 . 0 0 "[ . 1 . 2]" 1
96 1 108 GLU H 1 108 GLU HB2 . . 4.160 2.579 2.251 3.692 . 0 0 "[ . 1 . 2]" 1
97 1 108 GLU H 1 108 GLU HB3 . . 4.160 3.199 2.400 3.857 . 0 0 "[ . 1 . 2]" 1
98 1 107 LYS QD 1 108 GLU H . . 5.120 4.463 2.529 5.058 . 0 0 "[ . 1 . 2]" 1
99 1 107 LYS HG2 1 108 GLU H . . 4.010 2.854 2.192 3.842 . 0 0 "[ . 1 . 2]" 1
100 1 107 LYS HG3 1 108 GLU H . . 4.010 3.190 2.575 3.983 . 0 0 "[ . 1 . 2]" 1
101 1 50 PHE H 1 50 PHE HB3 . . 4.120 3.925 3.819 3.969 . 0 0 "[ . 1 . 2]" 1
102 1 49 VAL HA 1 50 PHE H . . 3.010 2.209 2.170 2.273 . 0 0 "[ . 1 . 2]" 1
103 1 49 VAL QG 1 50 PHE H . . 3.440 2.150 1.893 3.157 . 0 0 "[ . 1 . 2]" 1
104 1 77 LYS HA 1 78 LEU H . . 3.140 2.157 2.141 2.303 . 0 0 "[ . 1 . 2]" 1
105 1 78 LEU H 1 78 LEU HB2 . . 3.600 2.490 2.308 2.712 . 0 0 "[ . 1 . 2]" 1
106 1 78 LEU H 1 78 LEU HG . . 3.560 2.508 2.247 2.883 . 0 0 "[ . 1 . 2]" 1
107 1 77 LYS HB2 1 78 LEU H . . 4.740 4.456 4.122 4.569 . 0 0 "[ . 1 . 2]" 1
108 1 78 LEU H 1 78 LEU HB3 . . 4.060 3.630 3.573 3.788 . 0 0 "[ . 1 . 2]" 1
109 1 78 LEU H 1 78 LEU MD1 . . 4.280 3.824 3.602 4.036 . 0 0 "[ . 1 . 2]" 1
110 1 92 ALA H 1 93 TYR H . . 3.870 2.894 2.614 3.110 . 0 0 "[ . 1 . 2]" 1
111 1 93 TYR H 1 94 TYR H . . 3.760 2.902 2.659 3.137 . 0 0 "[ . 1 . 2]" 1
112 1 93 TYR H 1 93 TYR HB3 . . 3.500 2.507 2.344 2.637 . 0 0 "[ . 1 . 2]" 1
113 1 93 TYR H 1 93 TYR HB2 . . 3.500 2.575 2.485 2.729 . 0 0 "[ . 1 . 2]" 1
114 1 15 GLU HG3 1 93 TYR H . . 4.150 3.136 2.539 3.583 . 0 0 "[ . 1 . 2]" 1
115 1 92 ALA MB 1 93 TYR H . . 3.550 2.559 2.286 2.803 . 0 0 "[ . 1 . 2]" 1
116 1 27 SER QB 1 28 ILE H . . 4.270 3.819 3.580 3.947 . 0 0 "[ . 1 . 2]" 1
117 1 27 SER HA 1 28 ILE H . . 3.000 2.156 2.138 2.199 . 0 0 "[ . 1 . 2]" 1
118 1 28 ILE H 1 28 ILE HG13 . . 3.880 2.422 1.988 2.817 . 0 0 "[ . 1 . 2]" 1
119 1 28 ILE H 1 28 ILE HG12 . . 3.880 2.840 2.221 3.603 . 0 0 "[ . 1 . 2]" 1
120 1 29 LYS HG2 1 30 VAL H . . 4.770 3.087 2.638 3.866 . 0 0 "[ . 1 . 2]" 1
121 1 28 ILE H 1 28 ILE MG . . 3.240 2.588 2.198 2.945 . 0 0 "[ . 1 . 2]" 1
122 1 30 VAL H 1 48 LEU H . . 3.600 3.031 2.774 3.301 . 0 0 "[ . 1 . 2]" 1
123 1 29 LYS HA 1 30 VAL H . . 2.890 2.159 2.140 2.391 . 0 0 "[ . 1 . 2]" 1
124 1 30 VAL H 1 49 VAL HA . . 4.330 3.256 2.931 3.889 . 0 0 "[ . 1 . 2]" 1
125 1 30 VAL H 1 30 VAL HB . . 3.350 2.506 2.451 2.799 . 0 0 "[ . 1 . 2]" 1
126 1 29 LYS HB3 1 30 VAL H . . 4.040 3.923 2.596 4.071 0.031 1 0 "[ . 1 . 2]" 1
127 1 28 ILE H 1 100 ALA MB . . 5.320 4.845 4.469 5.172 . 0 0 "[ . 1 . 2]" 1
128 1 30 VAL H 1 48 LEU HB3 . . 5.360 4.772 4.380 5.043 . 0 0 "[ . 1 . 2]" 1
129 1 30 VAL H 1 30 VAL MG2 . . 3.750 2.612 2.480 2.966 . 0 0 "[ . 1 . 2]" 1
130 1 36 GLN H 1 37 ASP H . . 3.760 2.441 2.184 2.713 . 0 0 "[ . 1 . 2]" 1
131 1 35 MET HA 1 36 GLN H . . 3.280 2.193 2.162 2.220 . 0 0 "[ . 1 . 2]" 1
132 1 36 GLN H 1 36 GLN QG . . 3.980 3.340 1.802 4.102 0.122 20 0 "[ . 1 . 2]" 1
133 1 36 GLN H 1 36 GLN HB2 . . 3.460 2.866 2.177 3.529 0.069 18 0 "[ . 1 . 2]" 1
134 1 36 GLN H 1 36 GLN HB3 . . 3.460 2.720 2.233 3.494 0.034 15 0 "[ . 1 . 2]" 1
135 1 42 LYS HA 1 43 LEU H . . 3.450 2.410 2.245 2.653 . 0 0 "[ . 1 . 2]" 1
136 1 43 LEU H 1 43 LEU HB2 . . 4.140 2.659 2.446 2.736 . 0 0 "[ . 1 . 2]" 1
137 1 66 HIS HA 1 71 MET H . . 3.930 2.863 2.558 3.868 . 0 0 "[ . 1 . 2]" 1
138 1 69 THR HG1 1 71 MET H . . 3.590 1.914 1.894 1.972 . 0 0 "[ . 1 . 2]" 1
139 1 71 MET H 1 71 MET HB2 . . 3.550 2.556 2.254 2.682 . 0 0 "[ . 1 . 2]" 1
140 1 69 THR MG 1 71 MET H . . 4.640 4.341 4.092 4.510 . 0 0 "[ . 1 . 2]" 1
141 1 59 SER H 1 60 VAL H . . 3.950 2.821 2.642 3.169 . 0 0 "[ . 1 . 2]" 1
142 1 60 VAL H 1 61 ILE H . . 3.490 2.653 2.287 2.882 . 0 0 "[ . 1 . 2]" 1
143 1 60 VAL H 1 60 VAL HB . . 3.640 3.617 3.598 3.649 0.009 5 0 "[ . 1 . 2]" 1
144 1 60 VAL H 1 60 VAL MG1 . . 3.150 2.265 1.896 2.673 . 0 0 "[ . 1 . 2]" 1
145 1 60 VAL H 1 60 VAL MG2 . . 3.210 2.177 1.873 2.430 . 0 0 "[ . 1 . 2]" 1
146 1 58 VAL MG1 1 60 VAL H . . 5.500 4.819 4.341 5.156 . 0 0 "[ . 1 . 2]" 1
147 1 60 VAL H 1 61 ILE MD . . 5.500 4.394 3.009 5.286 . 0 0 "[ . 1 . 2]" 1
148 1 69 THR H 1 71 MET H . . 4.570 4.310 4.248 4.505 . 0 0 "[ . 1 . 2]" 1
149 1 28 ILE MD 1 29 LYS H . . 4.570 3.821 3.053 4.574 0.004 19 0 "[ . 1 . 2]" 1
150 1 29 LYS H 1 101 VAL HA . . 3.670 2.044 1.899 2.385 . 0 0 "[ . 1 . 2]" 1
151 1 28 ILE HA 1 29 LYS H . . 3.220 2.247 2.166 2.452 . 0 0 "[ . 1 . 2]" 1
152 1 28 ILE HB 1 29 LYS H . . 3.300 2.851 2.280 3.155 . 0 0 "[ . 1 . 2]" 1
153 1 29 LYS H 1 29 LYS HB2 . . 3.680 2.621 2.178 2.893 . 0 0 "[ . 1 . 2]" 1
154 1 29 LYS H 1 29 LYS HB3 . . 3.310 2.928 2.641 3.452 0.142 17 0 "[ . 1 . 2]" 1
155 1 57 GLN HA 1 58 VAL H . . 3.230 2.608 2.449 2.659 . 0 0 "[ . 1 . 2]" 1
156 1 58 VAL H 1 87 ASP HA . . 4.500 3.345 2.731 3.985 . 0 0 "[ . 1 . 2]" 1
157 1 57 GLN HB3 1 58 VAL H . . 3.180 2.033 1.923 2.327 . 0 0 "[ . 1 . 2]" 1
158 1 58 VAL H 1 58 VAL MG2 . . 3.330 2.117 1.867 2.309 . 0 0 "[ . 1 . 2]" 1
159 1 85 ILE HA 1 86 LYS H . . 3.400 2.187 2.140 2.245 . 0 0 "[ . 1 . 2]" 1
160 1 86 LYS H 1 86 LYS HB3 . . 4.060 3.482 2.882 3.686 . 0 0 "[ . 1 . 2]" 1
161 1 86 LYS H 1 86 LYS HG3 . . 4.160 3.724 3.006 4.240 0.080 9 0 "[ . 1 . 2]" 1
162 1 85 ILE HB 1 86 LYS H . . 3.850 3.103 2.807 3.763 . 0 0 "[ . 1 . 2]" 1
163 1 57 GLN HB2 1 58 VAL H . . 3.920 3.253 3.015 3.549 . 0 0 "[ . 1 . 2]" 1
164 1 79 GLN H 1 79 GLN HB3 . . 4.160 2.864 2.768 3.083 . 0 0 "[ . 1 . 2]" 1
165 1 78 LEU MD2 1 79 GLN H . . 4.350 3.650 3.203 3.879 . 0 0 "[ . 1 . 2]" 1
166 1 79 GLN H 1 102 ILE MG . . 3.540 2.765 2.280 3.486 . 0 0 "[ . 1 . 2]" 1
167 1 77 LYS H 1 78 LEU MD2 . . 4.700 4.419 3.724 4.699 . 0 0 "[ . 1 . 2]" 1
168 1 77 LYS H 1 105 ALA H . . 4.020 2.985 2.409 3.524 . 0 0 "[ . 1 . 2]" 1
169 1 76 GLN HA 1 77 LYS H . . 3.060 2.214 2.139 2.366 . 0 0 "[ . 1 . 2]" 1
170 1 76 GLN QB 1 77 LYS H . . 3.810 3.029 2.508 3.566 . 0 0 "[ . 1 . 2]" 1
171 1 77 LYS H 1 77 LYS HB3 . . 3.510 2.851 2.609 2.982 . 0 0 "[ . 1 . 2]" 1
172 1 77 LYS H 1 105 ALA MB . . 4.070 3.811 3.265 4.044 . 0 0 "[ . 1 . 2]" 1
173 1 77 LYS H 1 77 LYS HB2 . . 3.600 2.708 2.396 3.021 . 0 0 "[ . 1 . 2]" 1
174 1 78 LEU HA 1 79 GLN H . . 3.100 2.162 2.140 2.258 . 0 0 "[ . 1 . 2]" 1
175 1 79 GLN H 1 79 GLN HB2 . . 3.800 2.747 2.538 3.121 . 0 0 "[ . 1 . 2]" 1
176 1 12 LEU H 1 12 LEU HB3 . . 3.960 3.538 3.470 3.584 . 0 0 "[ . 1 . 2]" 1
177 1 12 LEU H 1 12 LEU MD2 . . 4.440 4.003 3.659 4.247 . 0 0 "[ . 1 . 2]" 1
178 1 12 LEU H 1 12 LEU HG . . 3.240 2.883 2.295 3.241 0.001 12 0 "[ . 1 . 2]" 1
179 1 12 LEU H 1 12 LEU HB2 . . 3.960 2.284 2.170 2.459 . 0 0 "[ . 1 . 2]" 1
180 1 12 LEU H 1 12 LEU MD1 . . 3.980 3.542 3.307 3.790 . 0 0 "[ . 1 . 2]" 1
181 1 9 GLU H 1 10 ASP H . . 3.760 2.885 2.094 3.238 . 0 0 "[ . 1 . 2]" 1
182 1 8 THR H 1 9 GLU H . . 3.980 3.579 2.311 4.345 0.365 11 0 "[ . 1 . 2]" 1
183 1 8 THR HB 1 9 GLU H . . 3.280 3.022 2.144 3.385 0.105 20 0 "[ . 1 . 2]" 1
184 1 9 GLU H 1 9 GLU QG . . 4.160 3.077 1.930 3.992 . 0 0 "[ . 1 . 2]" 1
185 1 96 MET HA 1 97 ALA H . . 2.980 2.427 2.178 2.610 . 0 0 "[ . 1 . 2]" 1
186 1 97 ALA H 1 100 ALA MB . . 3.500 3.210 2.898 3.480 . 0 0 "[ . 1 . 2]" 1
187 1 97 ALA H 1 97 ALA MB . . 3.060 2.460 2.158 2.641 . 0 0 "[ . 1 . 2]" 1
188 1 96 MET HB3 1 97 ALA H . . 3.250 2.441 2.041 3.129 . 0 0 "[ . 1 . 2]" 1
189 1 80 TYR H 1 83 ILE H . . 4.020 2.886 2.308 3.732 . 0 0 "[ . 1 . 2]" 1
190 1 82 GLY H 1 83 ILE H . . 2.810 2.688 2.537 2.827 0.017 1 0 "[ . 1 . 2]" 1
191 1 83 ILE H 1 83 ILE HB . . 3.580 2.610 2.349 2.737 . 0 0 "[ . 1 . 2]" 1
192 1 83 ILE H 1 83 ILE HG13 . . 3.420 2.736 2.031 3.357 . 0 0 "[ . 1 . 2]" 1
193 1 83 ILE H 1 83 ILE MG . . 3.890 3.824 3.713 3.894 0.004 10 0 "[ . 1 . 2]" 1
194 1 63 VAL H 1 64 LYS H . . 3.530 2.789 2.588 2.914 . 0 0 "[ . 1 . 2]" 1
195 1 62 LYS H 1 63 VAL H . . 3.680 2.609 2.482 2.762 . 0 0 "[ . 1 . 2]" 1
196 1 60 VAL HA 1 63 VAL H . . 3.970 3.677 3.257 3.833 . 0 0 "[ . 1 . 2]" 1
197 1 63 VAL H 1 63 VAL HB . . 3.300 2.313 2.244 2.432 . 0 0 "[ . 1 . 2]" 1
198 1 62 LYS HB2 1 63 VAL H . . 4.150 2.543 2.241 2.810 . 0 0 "[ . 1 . 2]" 1
199 1 62 LYS HB3 1 63 VAL H . . 4.150 3.576 3.064 3.868 . 0 0 "[ . 1 . 2]" 1
200 1 63 VAL H 1 63 VAL MG1 . . 3.140 2.549 2.410 2.696 . 0 0 "[ . 1 . 2]" 1
201 1 63 VAL H 1 63 VAL MG2 . . 3.890 3.691 3.637 3.745 . 0 0 "[ . 1 . 2]" 1
202 1 108 GLU HA 1 109 ARG H . . 3.350 2.274 2.139 2.748 . 0 0 "[ . 1 . 2]" 1
203 1 42 LYS H 1 69 THR HB . . 3.670 2.602 2.176 2.987 . 0 0 "[ . 1 . 2]" 1
204 1 42 LYS H 1 42 LYS HB2 . . 3.650 2.399 2.261 2.499 . 0 0 "[ . 1 . 2]" 1
205 1 42 LYS H 1 42 LYS HB3 . . 3.650 3.596 3.540 3.661 0.011 1 0 "[ . 1 . 2]" 1
206 1 42 LYS H 1 42 LYS HG2 . . 3.580 2.939 2.211 3.585 0.005 19 0 "[ . 1 . 2]" 1
207 1 42 LYS H 1 42 LYS HG3 . . 3.580 3.125 2.393 3.587 0.007 18 0 "[ . 1 . 2]" 1
208 1 41 TRP HA 1 42 LYS H . . 3.470 2.278 2.151 2.603 . 0 0 "[ . 1 . 2]" 1
209 1 41 TRP HB3 1 42 LYS H . . 3.530 2.880 2.122 3.304 . 0 0 "[ . 1 . 2]" 1
210 1 67 GLU H 1 68 ALA H . . 3.860 2.839 2.610 3.052 . 0 0 "[ . 1 . 2]" 1
211 1 64 LYS HA 1 67 GLU H . . 4.300 3.561 3.318 3.876 . 0 0 "[ . 1 . 2]" 1
212 1 66 HIS HB3 1 67 GLU H . . 3.830 2.832 2.679 2.986 . 0 0 "[ . 1 . 2]" 1
213 1 66 HIS HB2 1 67 GLU H . . 4.430 3.995 3.897 4.119 . 0 0 "[ . 1 . 2]" 1
214 1 67 GLU H 1 67 GLU HB2 . . 3.400 2.178 2.155 2.207 . 0 0 "[ . 1 . 2]" 1
215 1 67 GLU H 1 67 GLU HB3 . . 3.720 3.148 2.943 3.506 . 0 0 "[ . 1 . 2]" 1
216 1 48 LEU HA 1 49 VAL H . . 3.000 2.202 2.139 2.357 . 0 0 "[ . 1 . 2]" 1
217 1 49 VAL H 1 49 VAL HB . . 3.420 2.687 2.484 3.511 0.091 19 0 "[ . 1 . 2]" 1
218 1 48 LEU HB2 1 49 VAL H . . 4.540 4.053 3.567 4.325 . 0 0 "[ . 1 . 2]" 1
219 1 48 LEU HB3 1 49 VAL H . . 3.930 3.207 2.531 3.636 . 0 0 "[ . 1 . 2]" 1
220 1 48 LEU MD2 1 49 VAL H . . 3.870 3.667 3.443 3.846 . 0 0 "[ . 1 . 2]" 1
221 1 49 VAL H 1 49 VAL QG . . 3.470 2.610 1.783 2.931 . 0 0 "[ . 1 . 2]" 1
222 1 65 ILE H 1 65 ILE HG12 . . 3.620 3.411 3.223 3.619 . 0 0 "[ . 1 . 2]" 1
223 1 65 ILE H 1 65 ILE HB . . 3.370 2.594 2.509 2.649 . 0 0 "[ . 1 . 2]" 1
224 1 64 LYS HB2 1 65 ILE H . . 3.910 2.424 2.259 2.664 . 0 0 "[ . 1 . 2]" 1
225 1 65 ILE H 1 65 ILE MD . . 3.590 3.331 3.122 3.579 . 0 0 "[ . 1 . 2]" 1
226 1 65 ILE H 1 65 ILE HG13 . . 3.620 1.995 1.897 2.154 . 0 0 "[ . 1 . 2]" 1
227 1 64 LYS HB3 1 65 ILE H . . 3.850 3.508 3.273 3.670 . 0 0 "[ . 1 . 2]" 1
228 1 65 ILE H 1 65 ILE MG . . 4.240 3.765 3.761 3.774 . 0 0 "[ . 1 . 2]" 1
229 1 80 TYR QE 1 101 VAL H . . 3.820 3.637 2.974 3.826 0.006 4 0 "[ . 1 . 2]" 1
230 1 100 ALA HA 1 101 VAL H . . 2.920 2.525 2.422 2.639 . 0 0 "[ . 1 . 2]" 1
231 1 101 VAL H 1 101 VAL HB . . 3.360 3.307 3.207 3.386 0.026 8 0 "[ . 1 . 2]" 1
232 1 101 VAL H 1 101 VAL MG1 . . 3.600 2.134 2.038 2.215 . 0 0 "[ . 1 . 2]" 1
233 1 101 VAL H 1 101 VAL MG2 . . 4.320 3.923 3.876 3.971 . 0 0 "[ . 1 . 2]" 1
234 1 100 ALA MB 1 101 VAL H . . 3.690 2.287 2.014 2.432 . 0 0 "[ . 1 . 2]" 1
235 1 44 ASN H 1 46 GLN H . . 4.310 4.325 4.308 4.340 0.030 2 0 "[ . 1 . 2]" 1
236 1 44 ASN H 1 44 ASN HB3 . . 4.090 3.629 2.926 3.856 . 0 0 "[ . 1 . 2]" 1
237 1 43 LEU MD2 1 44 ASN H . . 4.130 4.014 3.797 4.139 0.009 9 0 "[ . 1 . 2]" 1
238 1 40 GLU H 1 41 TRP H . . 3.770 3.018 2.900 3.116 . 0 0 "[ . 1 . 2]" 1
239 1 41 TRP H 1 41 TRP HB2 . . 3.580 2.716 2.600 2.909 . 0 0 "[ . 1 . 2]" 1
240 1 40 GLU HB3 1 41 TRP H . . 5.090 4.612 4.560 4.653 . 0 0 "[ . 1 . 2]" 1
241 1 106 LEU H 1 106 LEU HG . . 4.170 3.968 3.117 4.224 0.054 4 0 "[ . 1 . 2]" 1
242 1 105 ALA HA 1 106 LEU H . . 3.240 2.327 2.143 2.613 . 0 0 "[ . 1 . 2]" 1
243 1 105 ALA MB 1 106 LEU H . . 3.360 2.681 2.103 3.225 . 0 0 "[ . 1 . 2]" 1
244 1 106 LEU H 1 106 LEU MD1 . . 5.180 4.155 3.825 4.448 . 0 0 "[ . 1 . 2]" 1
245 1 106 LEU H 1 106 LEU MD2 . . 5.180 3.920 2.320 4.319 . 0 0 "[ . 1 . 2]" 1
246 1 89 ASN H 1 89 ASN HB3 . . 3.840 3.445 2.562 3.624 . 0 0 "[ . 1 . 2]" 1
247 1 89 ASN H 1 89 ASN HB2 . . 3.840 2.648 2.247 3.702 . 0 0 "[ . 1 . 2]" 1
248 1 37 ASP H 1 38 LYS H . . 3.860 3.117 2.424 3.796 . 0 0 "[ . 1 . 2]" 1
249 1 64 LYS H 1 65 ILE H . . 3.670 2.760 2.555 2.906 . 0 0 "[ . 1 . 2]" 1
250 1 61 ILE HA 1 64 LYS H . . 4.510 3.740 3.360 3.951 . 0 0 "[ . 1 . 2]" 1
251 1 64 LYS H 1 64 LYS HG2 . . 3.610 2.146 1.899 2.368 . 0 0 "[ . 1 . 2]" 1
252 1 64 LYS H 1 64 LYS HB2 . . 3.240 2.526 2.421 2.662 . 0 0 "[ . 1 . 2]" 1
253 1 64 LYS H 1 64 LYS HG3 . . 3.520 3.352 3.153 3.516 . 0 0 "[ . 1 . 2]" 1
254 1 64 LYS H 1 64 LYS HB3 . . 3.680 3.589 3.582 3.598 . 0 0 "[ . 1 . 2]" 1
255 1 92 ALA H 1 92 ALA MB . . 3.370 2.172 2.054 2.259 . 0 0 "[ . 1 . 2]" 1
256 1 16 GLU H 1 17 GLU H . . 3.770 2.997 2.654 3.290 . 0 0 "[ . 1 . 2]" 1
257 1 14 PRO HB2 1 17 GLU H . . 3.810 3.230 2.816 3.595 . 0 0 "[ . 1 . 2]" 1
258 1 17 GLU H 1 18 PHE H . . 3.390 2.796 2.380 3.003 . 0 0 "[ . 1 . 2]" 1
259 1 33 PRO HA 1 34 ASN H . . 3.060 2.411 2.185 2.571 . 0 0 "[ . 1 . 2]" 1
260 1 33 PRO HB2 1 34 ASN H . . 3.830 2.617 2.217 3.315 . 0 0 "[ . 1 . 2]" 1
261 1 34 ASN H 1 34 ASN HB2 . . 3.630 3.173 2.601 3.696 0.066 5 0 "[ . 1 . 2]" 1
262 1 34 ASN H 1 34 ASN HB3 . . 3.630 2.435 2.200 2.646 . 0 0 "[ . 1 . 2]" 1
263 1 33 PRO HB3 1 34 ASN H . . 3.830 3.467 3.268 3.858 0.028 6 0 "[ . 1 . 2]" 1
264 1 50 PHE HA 1 51 THR H . . 3.380 2.160 2.138 2.238 . 0 0 "[ . 1 . 2]" 1
265 1 50 PHE HB2 1 51 THR H . . 4.920 4.102 3.751 4.400 . 0 0 "[ . 1 . 2]" 1
266 1 26 VAL HA 1 27 SER H . . 3.170 2.206 2.144 2.437 . 0 0 "[ . 1 . 2]" 1
267 1 27 SER H 1 98 SER HA . . 3.210 2.812 2.120 3.208 . 0 0 "[ . 1 . 2]" 1
268 1 27 SER H 1 27 SER QB . . 3.690 2.329 2.196 2.519 . 0 0 "[ . 1 . 2]" 1
269 1 26 VAL HB 1 27 SER H . . 3.710 3.012 2.305 3.328 . 0 0 "[ . 1 . 2]" 1
270 1 26 VAL MG1 1 27 SER H . . 4.510 3.854 3.644 3.980 . 0 0 "[ . 1 . 2]" 1
271 1 27 SER H 1 51 THR MG . . 4.770 3.970 3.474 4.484 . 0 0 "[ . 1 . 2]" 1
272 1 26 VAL MG2 1 27 SER H . . 4.510 3.852 3.369 4.037 . 0 0 "[ . 1 . 2]" 1
273 1 91 LEU MD1 1 92 ALA H . . 4.800 3.960 3.364 4.547 . 0 0 "[ . 1 . 2]" 1
274 1 76 GLN H 1 76 GLN HG2 . . 3.550 2.229 1.894 2.696 . 0 0 "[ . 1 . 2]" 1
275 1 76 GLN H 1 76 GLN HG3 . . 4.080 3.372 2.930 3.714 . 0 0 "[ . 1 . 2]" 1
276 1 76 GLN H 1 76 GLN QB . . 3.260 2.461 2.247 2.597 . 0 0 "[ . 1 . 2]" 1
277 1 71 MET ME 1 76 GLN H . . 3.910 3.199 2.601 3.507 . 0 0 "[ . 1 . 2]" 1
278 1 75 LYS HB3 1 76 GLN H . . 4.250 3.309 2.922 3.511 . 0 0 "[ . 1 . 2]" 1
279 1 84 PHE HA 1 85 ILE H . . 3.060 2.482 2.270 2.685 . 0 0 "[ . 1 . 2]" 1
280 1 85 ILE H 1 85 ILE HG13 . . 3.490 2.883 2.216 3.297 . 0 0 "[ . 1 . 2]" 1
281 1 83 ILE MG 1 85 ILE H . . 3.360 2.750 1.968 3.377 0.017 16 0 "[ . 1 . 2]" 1
282 1 85 ILE H 1 85 ILE HG12 . . 3.180 2.168 1.918 2.484 . 0 0 "[ . 1 . 2]" 1
283 1 22 ASN HA 1 23 LYS H . . 3.320 2.274 2.142 2.691 . 0 0 "[ . 1 . 2]" 1
284 1 22 ASN QB 1 23 LYS H . . 4.100 3.414 2.471 3.897 . 0 0 "[ . 1 . 2]" 1
285 1 23 LYS H 1 23 LYS HB3 . . 4.100 3.028 2.414 3.942 . 0 0 "[ . 1 . 2]" 1
286 1 60 VAL MG1 1 61 ILE H . . 4.430 4.064 3.933 4.198 . 0 0 "[ . 1 . 2]" 1
287 1 61 ILE H 1 63 VAL MG1 . . 4.820 4.293 3.926 4.824 0.004 4 0 "[ . 1 . 2]" 1
288 1 60 VAL HB 1 61 ILE H . . 4.140 3.963 3.572 4.144 0.004 6 0 "[ . 1 . 2]" 1
289 1 61 ILE H 1 61 ILE HB . . 3.500 2.475 2.301 2.665 . 0 0 "[ . 1 . 2]" 1
290 1 61 ILE H 1 61 ILE MG . . 3.950 3.756 3.666 3.787 . 0 0 "[ . 1 . 2]" 1
291 1 58 VAL MG1 1 61 ILE H . . 4.320 3.587 3.290 3.763 . 0 0 "[ . 1 . 2]" 1
292 1 91 LEU H 1 91 LEU MD2 . . 4.170 3.984 3.664 4.181 0.011 4 0 "[ . 1 . 2]" 1
293 1 90 SER HB2 1 91 LEU H . . 3.940 3.613 2.348 3.983 0.043 7 0 "[ . 1 . 2]" 1
294 1 90 SER HB3 1 91 LEU H . . 3.940 3.046 2.462 3.866 . 0 0 "[ . 1 . 2]" 1
295 1 91 LEU H 1 91 LEU MD1 . . 3.790 2.919 1.836 3.540 . 0 0 "[ . 1 . 2]" 1
296 1 19 LEU HA 1 22 ASN H . . 4.230 3.898 3.459 4.176 . 0 0 "[ . 1 . 2]" 1
297 1 22 ASN H 1 22 ASN QB . . 3.460 2.662 2.403 3.211 . 0 0 "[ . 1 . 2]" 1
298 1 21 ARG HB3 1 22 ASN H . . 4.420 2.905 2.509 3.452 . 0 0 "[ . 1 . 2]" 1
299 1 18 PHE HB2 1 19 LEU H . . 4.430 3.721 3.437 3.972 . 0 0 "[ . 1 . 2]" 1
300 1 109 ARG QB 1 110 SER H . . 4.280 3.076 2.084 3.867 . 0 0 "[ . 1 . 2]" 1
301 1 19 LEU H 1 19 LEU HG . . 3.270 2.050 1.913 2.286 . 0 0 "[ . 1 . 2]" 1
302 1 19 LEU H 1 92 ALA MB . . 4.700 3.932 3.570 4.276 . 0 0 "[ . 1 . 2]" 1
303 1 109 ARG QG 1 110 SER H . . 4.930 3.541 1.894 4.535 . 0 0 "[ . 1 . 2]" 1
304 1 19 LEU H 1 19 LEU HB2 . . 3.810 2.625 2.505 2.718 . 0 0 "[ . 1 . 2]" 1
305 1 19 LEU H 1 20 ARG H . . 3.560 2.856 2.701 2.932 . 0 0 "[ . 1 . 2]" 1
306 1 17 GLU HA 1 20 ARG H . . 3.520 3.372 3.101 3.506 . 0 0 "[ . 1 . 2]" 1
307 1 20 ARG H 1 20 ARG HB2 . . 3.030 2.582 2.479 2.667 . 0 0 "[ . 1 . 2]" 1
308 1 19 LEU HG 1 20 ARG H . . 4.490 4.257 4.104 4.456 . 0 0 "[ . 1 . 2]" 1
309 1 19 LEU HB2 1 20 ARG H . . 3.740 2.634 2.507 2.835 . 0 0 "[ . 1 . 2]" 1
310 1 68 ALA H 1 69 THR H . . 3.150 2.637 2.405 2.860 . 0 0 "[ . 1 . 2]" 1
311 1 65 ILE HA 1 68 ALA H . . 3.810 3.668 3.530 3.778 . 0 0 "[ . 1 . 2]" 1
312 1 67 GLU HB2 1 68 ALA H . . 3.660 3.123 2.712 3.344 . 0 0 "[ . 1 . 2]" 1
313 1 67 GLU HB3 1 68 ALA H . . 3.870 2.554 2.016 3.536 . 0 0 "[ . 1 . 2]" 1
314 1 68 ALA H 1 68 ALA MB . . 3.120 2.121 2.051 2.324 . 0 0 "[ . 1 . 2]" 1
315 1 68 ALA H 1 69 THR MG . . 4.890 4.505 4.377 4.602 . 0 0 "[ . 1 . 2]" 1
316 1 16 GLU H 1 16 GLU HG2 . . 4.570 3.407 2.003 4.524 . 0 0 "[ . 1 . 2]" 1
317 1 14 PRO HG2 1 16 GLU H . . 4.540 4.262 3.705 4.539 . 0 0 "[ . 1 . 2]" 1
318 1 15 GLU HG2 1 16 GLU H . . 4.800 4.069 3.948 4.233 . 0 0 "[ . 1 . 2]" 1
319 1 15 GLU QB 1 16 GLU H . . 3.140 2.429 2.246 2.690 . 0 0 "[ . 1 . 2]" 1
320 1 74 GLY H 1 75 LYS H . . 3.930 2.378 1.824 2.789 . 0 0 "[ . 1 . 2]" 1
321 1 75 LYS H 1 75 LYS HB2 . . 3.870 2.305 2.172 2.505 . 0 0 "[ . 1 . 2]" 1
322 1 72 PRO HB2 1 75 LYS H . . 3.870 3.244 2.878 3.582 . 0 0 "[ . 1 . 2]" 1
323 1 75 LYS H 1 75 LYS HG2 . . 3.850 3.334 2.461 3.857 0.007 2 0 "[ . 1 . 2]" 1
324 1 75 LYS H 1 75 LYS HB3 . . 3.870 3.549 3.483 3.592 . 0 0 "[ . 1 . 2]" 1
325 1 75 LYS H 1 75 LYS HG3 . . 3.850 2.945 2.223 3.698 . 0 0 "[ . 1 . 2]" 1
326 1 56 ASP HA 1 57 GLN H . . 2.980 2.653 2.617 2.665 . 0 0 "[ . 1 . 2]" 1
327 1 57 GLN H 1 57 GLN HB3 . . 3.780 3.620 3.569 3.681 . 0 0 "[ . 1 . 2]" 1
328 1 57 GLN H 1 57 GLN HG2 . . 4.060 3.760 2.242 4.059 . 0 0 "[ . 1 . 2]" 1
329 1 57 GLN H 1 57 GLN HG3 . . 4.060 2.654 2.245 3.631 . 0 0 "[ . 1 . 2]" 1
330 1 57 GLN H 1 57 GLN HB2 . . 3.450 2.445 2.312 2.592 . 0 0 "[ . 1 . 2]" 1
331 1 89 ASN HA 1 90 SER H . . 3.240 2.249 2.160 2.437 . 0 0 "[ . 1 . 2]" 1
332 1 90 SER H 1 90 SER HB2 . . 4.020 2.694 2.278 3.638 . 0 0 "[ . 1 . 2]" 1
333 1 90 SER H 1 90 SER HB3 . . 4.020 3.272 2.586 3.685 . 0 0 "[ . 1 . 2]" 1
334 1 90 SER H 1 93 TYR HB3 . . 4.250 3.438 2.790 4.056 . 0 0 "[ . 1 . 2]" 1
335 1 90 SER H 1 93 TYR HB2 . . 4.120 3.915 3.680 4.096 . 0 0 "[ . 1 . 2]" 1
336 1 89 ASN HB2 1 90 SER H . . 4.400 3.783 2.664 4.305 . 0 0 "[ . 1 . 2]" 1
337 1 89 ASN HB3 1 90 SER H . . 4.400 3.152 2.364 4.090 . 0 0 "[ . 1 . 2]" 1
338 1 61 ILE H 1 62 LYS H . . 3.570 2.421 2.248 2.831 . 0 0 "[ . 1 . 2]" 1
339 1 59 SER HA 1 62 LYS H . . 4.240 3.317 2.993 3.757 . 0 0 "[ . 1 . 2]" 1
340 1 61 ILE HB 1 62 LYS H . . 3.710 2.797 2.469 3.122 . 0 0 "[ . 1 . 2]" 1
341 1 62 LYS H 1 62 LYS HB2 . . 4.110 2.479 2.256 2.606 . 0 0 "[ . 1 . 2]" 1
342 1 62 LYS H 1 62 LYS QD . . 4.170 3.945 3.418 4.195 0.025 16 0 "[ . 1 . 2]" 1
343 1 62 LYS H 1 62 LYS HB3 . . 4.110 3.590 3.541 3.613 . 0 0 "[ . 1 . 2]" 1
344 1 62 LYS H 1 62 LYS HG2 . . 4.250 3.169 2.105 4.124 . 0 0 "[ . 1 . 2]" 1
345 1 62 LYS H 1 62 LYS HG3 . . 4.250 2.516 2.114 3.454 . 0 0 "[ . 1 . 2]" 1
346 1 61 ILE MG 1 62 LYS H . . 3.780 3.537 3.119 3.802 0.022 8 0 "[ . 1 . 2]" 1
347 1 58 VAL MG1 1 62 LYS H . . 4.180 3.703 3.319 4.089 . 0 0 "[ . 1 . 2]" 1
348 1 62 LYS H 1 78 LEU MD1 . . 4.600 3.623 3.080 3.952 . 0 0 "[ . 1 . 2]" 1
349 1 21 ARG H 1 22 ASN H . . 3.230 2.649 2.523 2.956 . 0 0 "[ . 1 . 2]" 1
350 1 20 ARG H 1 21 ARG H . . 2.690 2.611 2.415 2.695 0.005 15 0 "[ . 1 . 2]" 1
351 1 21 ARG H 1 21 ARG HB2 . . 3.670 2.341 2.176 3.268 . 0 0 "[ . 1 . 2]" 1
352 1 21 ARG H 1 21 ARG HG2 . . 4.370 3.403 2.553 4.317 . 0 0 "[ . 1 . 2]" 1
353 1 21 ARG H 1 21 ARG HB3 . . 3.670 3.481 2.238 3.627 . 0 0 "[ . 1 . 2]" 1
354 1 98 SER HA 1 99 GLY H . . 2.980 2.425 2.242 2.602 . 0 0 "[ . 1 . 2]" 1
355 1 27 SER QB 1 99 GLY H . . 3.590 2.735 2.344 3.024 . 0 0 "[ . 1 . 2]" 1
356 1 28 ILE MG 1 99 GLY H . . 5.500 4.576 3.986 5.119 . 0 0 "[ . 1 . 2]" 1
357 1 98 SER H 1 98 SER HB3 . . 3.790 2.799 2.280 3.607 . 0 0 "[ . 1 . 2]" 1
358 1 26 VAL HB 1 98 SER H . . 4.570 4.094 3.660 4.270 . 0 0 "[ . 1 . 2]" 1
359 1 97 ALA MB 1 98 SER H . . 3.480 2.698 2.346 3.008 . 0 0 "[ . 1 . 2]" 1
360 1 26 VAL MG1 1 98 SER H . . 5.150 2.847 2.403 3.192 . 0 0 "[ . 1 . 2]" 1
361 1 59 SER H 1 59 SER HB3 . . 3.750 2.543 2.324 2.951 . 0 0 "[ . 1 . 2]" 1
362 1 57 GLN HB2 1 59 SER H . . 4.030 2.716 2.512 3.058 . 0 0 "[ . 1 . 2]" 1
363 1 58 VAL H 1 59 SER H . . 3.750 2.621 2.437 2.860 . 0 0 "[ . 1 . 2]" 1
364 1 57 GLN HB3 1 59 SER H . . 3.440 2.832 2.519 3.084 . 0 0 "[ . 1 . 2]" 1
365 1 58 VAL HB 1 59 SER H . . 3.730 3.156 2.838 3.320 . 0 0 "[ . 1 . 2]" 1
366 1 58 VAL MG2 1 59 SER H . . 4.440 4.011 3.810 4.162 . 0 0 "[ . 1 . 2]" 1
367 1 58 VAL MG1 1 59 SER H . . 4.310 3.816 3.669 3.978 . 0 0 "[ . 1 . 2]" 1
368 1 25 PRO HA 1 26 VAL H . . 3.500 2.374 2.199 2.630 . 0 0 "[ . 1 . 2]" 1
369 1 25 PRO HB2 1 26 VAL H . . 4.330 2.703 2.088 3.239 . 0 0 "[ . 1 . 2]" 1
370 1 25 PRO HB3 1 26 VAL H . . 4.330 3.508 3.215 3.810 . 0 0 "[ . 1 . 2]" 1
371 1 26 VAL H 1 26 VAL MG1 . . 4.060 2.818 2.591 3.266 . 0 0 "[ . 1 . 2]" 1
372 1 26 VAL H 1 51 THR MG . . 4.610 3.883 3.085 4.569 . 0 0 "[ . 1 . 2]" 1
373 1 26 VAL H 1 26 VAL MG2 . . 4.060 2.039 1.867 2.327 . 0 0 "[ . 1 . 2]" 1
374 1 11 SER H 1 12 LEU HG . . 4.850 4.132 3.855 4.472 . 0 0 "[ . 1 . 2]" 1
375 1 10 ASP H 1 11 SER H . . 3.570 2.433 2.175 2.839 . 0 0 "[ . 1 . 2]" 1
376 1 11 SER H 1 12 LEU H . . 3.460 3.235 2.882 3.479 0.019 18 0 "[ . 1 . 2]" 1
377 1 11 SER H 1 11 SER HB2 . . 4.100 2.790 2.334 3.754 . 0 0 "[ . 1 . 2]" 1
378 1 11 SER H 1 11 SER HB3 . . 4.100 3.202 2.658 3.822 . 0 0 "[ . 1 . 2]" 1
379 1 10 ASP HB2 1 11 SER H . . 4.150 3.508 2.477 4.063 . 0 0 "[ . 1 . 2]" 1
380 1 10 ASP HB3 1 11 SER H . . 4.150 2.822 2.377 3.680 . 0 0 "[ . 1 . 2]" 1
381 1 7 GLY H 1 8 THR H . . 4.290 3.339 2.256 4.121 . 0 0 "[ . 1 . 2]" 1
382 1 8 THR H 1 8 THR HB . . 3.500 3.305 2.595 3.727 0.227 17 0 "[ . 1 . 2]" 1
383 1 7 GLY QA 1 8 THR H . . 3.390 2.289 2.109 2.698 . 0 0 "[ . 1 . 2]" 1
384 1 8 THR H 1 8 THR MG . . 4.240 3.678 2.523 4.077 . 0 0 "[ . 1 . 2]" 1
385 1 94 TYR H 1 95 ASN H . . 3.670 2.590 2.451 2.731 . 0 0 "[ . 1 . 2]" 1
386 1 70 GLY H 1 71 MET H . . 3.730 3.064 2.659 3.264 . 0 0 "[ . 1 . 2]" 1
387 1 69 THR HG1 1 70 GLY H . . 3.650 3.629 3.508 3.661 0.011 18 0 "[ . 1 . 2]" 1
388 1 39 THR H 1 40 GLU H . . 4.500 4.453 4.235 4.587 0.087 5 0 "[ . 1 . 2]" 1
389 1 38 LYS HA 1 39 THR H . . 3.220 2.558 2.140 3.241 0.021 1 0 "[ . 1 . 2]" 1
390 1 39 THR H 1 39 THR HB . . 4.010 3.074 2.579 4.008 . 0 0 "[ . 1 . 2]" 1
391 1 38 LYS HB3 1 39 THR H . . 5.040 4.277 4.016 4.495 . 0 0 "[ . 1 . 2]" 1
392 1 39 THR H 1 39 THR MG . . 3.570 2.225 1.869 2.914 . 0 0 "[ . 1 . 2]" 1
393 1 95 ASN HA 1 95 ASN HD21 . . 4.660 2.893 1.925 3.785 . 0 0 "[ . 1 . 2]" 1
394 1 86 LYS HB3 1 89 ASN HD21 . . 4.950 3.354 2.062 4.648 . 0 0 "[ . 1 . 2]" 1
395 1 86 LYS QD 1 89 ASN HD21 . . 4.310 3.766 3.451 4.313 0.003 7 0 "[ . 1 . 2]" 1
396 1 86 LYS HB3 1 89 ASN HD22 . . 4.950 4.065 2.163 4.928 . 0 0 "[ . 1 . 2]" 1
397 1 94 TYR H 1 94 TYR HB2 . . 4.000 2.358 2.202 2.481 . 0 0 "[ . 1 . 2]" 1
398 1 93 TYR HB3 1 94 TYR H . . 4.180 2.516 2.255 2.988 . 0 0 "[ . 1 . 2]" 1
399 1 94 TYR H 1 94 TYR HB3 . . 4.000 3.568 3.504 3.589 . 0 0 "[ . 1 . 2]" 1
400 1 23 LYS HB3 1 24 GLY H . . 4.050 3.302 2.580 4.120 0.070 8 0 "[ . 1 . 2]" 1
401 1 23 LYS H 1 24 GLY H . . 3.970 2.513 1.828 4.061 0.091 8 0 "[ . 1 . 2]" 1
402 1 44 ASN H 1 45 GLY H . . 3.460 3.094 2.753 3.388 . 0 0 "[ . 1 . 2]" 1
403 1 34 ASN HA 1 45 GLY H . . 3.520 2.081 1.884 2.403 . 0 0 "[ . 1 . 2]" 1
404 1 46 GLN HA 1 47 GLY H . . 3.210 2.581 2.440 2.655 . 0 0 "[ . 1 . 2]" 1
405 1 46 GLN HG3 1 47 GLY H . . 4.680 3.248 2.985 3.569 . 0 0 "[ . 1 . 2]" 1
406 1 46 GLN QB 1 47 GLY H . . 3.490 2.115 1.981 2.369 . 0 0 "[ . 1 . 2]" 1
407 1 31 GLN HA 1 32 VAL H . . 3.080 2.185 2.148 2.245 . 0 0 "[ . 1 . 2]" 1
408 1 32 VAL H 1 32 VAL HB . . 3.460 2.565 2.507 2.636 . 0 0 "[ . 1 . 2]" 1
409 1 32 VAL H 1 32 VAL MG1 . . 4.230 3.798 3.769 3.825 . 0 0 "[ . 1 . 2]" 1
410 1 32 VAL H 1 32 VAL MG2 . . 3.480 2.438 2.324 2.566 . 0 0 "[ . 1 . 2]" 1
411 1 87 ASP H 1 88 SER H . . 3.840 2.569 2.319 2.805 . 0 0 "[ . 1 . 2]" 1
412 1 88 SER H 1 88 SER HB2 . . 4.030 2.696 2.297 3.593 . 0 0 "[ . 1 . 2]" 1
413 1 88 SER H 1 88 SER HB3 . . 4.030 2.871 2.364 3.594 . 0 0 "[ . 1 . 2]" 1
414 1 86 LYS HB2 1 88 SER H . . 4.450 3.553 2.561 4.263 . 0 0 "[ . 1 . 2]" 1
415 1 8 THR MG 1 9 GLU H . . 5.110 3.207 2.011 4.098 . 0 0 "[ . 1 . 2]" 1
416 1 9 GLU H 1 83 ILE MD . . 5.500 5.257 4.890 5.520 0.020 17 0 "[ . 1 . 2]" 1
417 1 15 GLU H 1 16 GLU H . . 4.040 2.274 2.036 2.509 . 0 0 "[ . 1 . 2]" 1
418 1 14 PRO HB2 1 16 GLU H . . 4.460 2.851 2.505 3.059 . 0 0 "[ . 1 . 2]" 1
419 1 19 LEU MD1 1 20 ARG H . . 5.220 4.471 4.249 4.756 . 0 0 "[ . 1 . 2]" 1
420 1 19 LEU MD2 1 20 ARG H . . 5.500 4.654 4.553 4.737 . 0 0 "[ . 1 . 2]" 1
421 1 29 LYS H 1 101 VAL MG1 . . 4.900 4.759 4.638 4.922 0.022 4 0 "[ . 1 . 2]" 1
422 1 42 LYS H 1 43 LEU MD2 . . 4.410 4.286 3.415 4.439 0.029 19 0 "[ . 1 . 2]" 1
423 1 42 LYS H 1 69 THR MG . . 4.560 3.858 3.343 4.280 . 0 0 "[ . 1 . 2]" 1
424 1 43 LEU H 1 43 LEU HG . . 3.800 2.786 2.580 3.004 . 0 0 "[ . 1 . 2]" 1
425 1 19 LEU H 1 19 LEU MD1 . . 4.610 3.557 3.371 3.729 . 0 0 "[ . 1 . 2]" 1
426 1 11 SER HB2 1 12 LEU H . . 4.990 4.491 4.234 4.660 . 0 0 "[ . 1 . 2]" 1
427 1 12 LEU H 1 13 MET H . . 5.250 4.576 4.456 4.647 . 0 0 "[ . 1 . 2]" 1
428 1 12 LEU HG 1 13 MET H . . 5.440 4.592 4.263 4.837 . 0 0 "[ . 1 . 2]" 1
429 1 14 PRO HB3 1 16 GLU H . . 5.070 4.521 4.242 4.705 . 0 0 "[ . 1 . 2]" 1
430 1 14 PRO HA 1 16 GLU H . . 4.900 4.788 4.597 4.927 0.027 16 0 "[ . 1 . 2]" 1
431 1 19 LEU H 1 22 ASN H . . 5.500 4.904 4.685 5.270 . 0 0 "[ . 1 . 2]" 1
432 1 22 ASN H 1 23 LYS H . . 4.950 4.148 3.401 4.612 . 0 0 "[ . 1 . 2]" 1
433 1 24 GLY HA2 1 26 VAL H . . 5.280 3.872 3.306 4.345 . 0 0 "[ . 1 . 2]" 1
434 1 24 GLY HA3 1 26 VAL H . . 5.280 3.574 3.056 4.282 . 0 0 "[ . 1 . 2]" 1
435 1 27 SER H 1 99 GLY H . . 4.650 2.162 1.799 2.379 . 0 0 "[ . 1 . 2]" 1
436 1 28 ILE H 1 29 LYS H . . 4.830 4.498 4.447 4.546 . 0 0 "[ . 1 . 2]" 1
437 1 29 LYS H 1 30 VAL H . . 5.100 4.364 4.170 4.584 . 0 0 "[ . 1 . 2]" 1
438 1 30 VAL HB 1 32 VAL H . . 5.340 5.020 4.675 5.310 . 0 0 "[ . 1 . 2]" 1
439 1 31 GLN HG3 1 32 VAL H . . 5.500 4.734 3.519 5.340 . 0 0 "[ . 1 . 2]" 1
440 1 32 VAL H 1 46 GLN QB . . 5.500 5.118 4.937 5.324 . 0 0 "[ . 1 . 2]" 1
441 1 35 MET H 1 43 LEU MD1 . . 4.730 3.424 2.912 3.981 . 0 0 "[ . 1 . 2]" 1
442 1 35 MET H 1 44 ASN HA . . 4.450 3.911 3.433 4.261 . 0 0 "[ . 1 . 2]" 1
443 1 35 MET H 1 45 GLY H . . 4.740 4.093 3.726 4.493 . 0 0 "[ . 1 . 2]" 1
444 1 38 LYS HB2 1 39 THR H . . 5.040 4.357 3.022 4.646 . 0 0 "[ . 1 . 2]" 1
445 1 39 THR MG 1 41 TRP H . . 5.050 2.289 1.874 4.382 . 0 0 "[ . 1 . 2]" 1
446 1 40 GLU HB2 1 41 TRP H . . 4.710 4.458 4.407 4.511 . 0 0 "[ . 1 . 2]" 1
447 1 46 GLN HG2 1 47 GLY H . . 4.680 4.260 2.961 4.562 . 0 0 "[ . 1 . 2]" 1
448 1 50 PHE H 1 50 PHE QD . . 4.380 3.484 3.224 3.702 . 0 0 "[ . 1 . 2]" 1
449 1 62 LYS H 1 63 VAL MG1 . . 4.440 4.090 3.870 4.404 . 0 0 "[ . 1 . 2]" 1
450 1 61 ILE HA 1 65 ILE H . . 5.500 4.963 4.371 5.185 . 0 0 "[ . 1 . 2]" 1
451 1 65 ILE H 1 66 HIS HB2 . . 5.500 5.357 5.134 5.492 . 0 0 "[ . 1 . 2]" 1
452 1 65 ILE MD 1 66 HIS H . . 4.500 4.117 3.800 4.422 . 0 0 "[ . 1 . 2]" 1
453 1 66 HIS H 1 67 GLU H . . 3.750 2.774 2.554 2.922 . 0 0 "[ . 1 . 2]" 1
454 1 65 ILE MG 1 68 ALA H . . 4.840 4.640 4.492 4.821 . 0 0 "[ . 1 . 2]" 1
455 1 66 HIS HA 1 69 THR H . . 4.650 3.997 3.561 4.295 . 0 0 "[ . 1 . 2]" 1
456 1 41 TRP HB3 1 71 MET H . . 4.840 4.205 2.271 4.726 . 0 0 "[ . 1 . 2]" 1
457 1 66 HIS HB2 1 73 ALA H . . 4.550 3.672 3.001 4.477 . 0 0 "[ . 1 . 2]" 1
458 1 66 HIS HD2 1 73 ALA H . . 4.560 4.192 3.956 4.563 0.003 16 0 "[ . 1 . 2]" 1
459 1 72 PRO HB3 1 74 GLY H . . 5.210 4.546 4.267 5.212 0.002 1 0 "[ . 1 . 2]" 1
460 1 74 GLY H 1 76 GLN HG3 . . 5.500 4.302 3.683 5.140 . 0 0 "[ . 1 . 2]" 1
461 1 72 PRO HB3 1 75 LYS H . . 5.460 4.780 4.486 5.067 . 0 0 "[ . 1 . 2]" 1
462 1 75 LYS H 1 76 GLN HG2 . . 4.610 4.162 3.784 4.497 . 0 0 "[ . 1 . 2]" 1
463 1 76 GLN H 1 77 LYS H . . 4.670 4.550 4.333 4.642 . 0 0 "[ . 1 . 2]" 1
464 1 79 GLN H 1 85 ILE HG13 . . 5.500 4.995 3.783 5.500 . 0 0 "[ . 1 . 2]" 1
465 1 83 ILE H 1 85 ILE MG . . 5.500 4.788 4.367 5.274 . 0 0 "[ . 1 . 2]" 1
466 1 79 GLN HA 1 83 ILE H . . 4.930 4.365 3.964 4.970 0.040 18 0 "[ . 1 . 2]" 1
467 1 80 TYR HA 1 83 ILE H . . 5.320 4.407 4.063 4.855 . 0 0 "[ . 1 . 2]" 1
468 1 86 LYS HG2 1 88 SER H . . 4.730 4.251 2.605 4.657 . 0 0 "[ . 1 . 2]" 1
469 1 86 LYS HG3 1 88 SER H . . 5.500 4.799 1.982 5.408 . 0 0 "[ . 1 . 2]" 1
470 1 86 LYS QD 1 88 SER H . . 5.500 4.487 2.843 5.421 . 0 0 "[ . 1 . 2]" 1
471 1 86 LYS HB3 1 88 SER H . . 4.450 2.587 2.186 4.217 . 0 0 "[ . 1 . 2]" 1
472 1 58 VAL MG2 1 89 ASN H . . 4.750 4.178 3.941 4.536 . 0 0 "[ . 1 . 2]" 1
473 1 86 LYS HB3 1 89 ASN H . . 4.790 3.487 2.775 5.002 0.212 16 0 "[ . 1 . 2]" 1
474 1 86 LYS HB2 1 89 ASN H . . 4.790 3.492 3.044 4.390 . 0 0 "[ . 1 . 2]" 1
475 1 94 TYR H 1 94 TYR QD . . 3.810 3.022 2.296 3.273 . 0 0 "[ . 1 . 2]" 1
476 1 92 ALA HA 1 95 ASN H . . 4.470 3.283 3.041 3.493 . 0 0 "[ . 1 . 2]" 1
477 1 28 ILE MG 1 97 ALA H . . 5.500 5.307 5.004 5.504 0.004 15 0 "[ . 1 . 2]" 1
478 1 99 GLY H 1 100 ALA MB . . 4.610 4.364 4.142 4.601 . 0 0 "[ . 1 . 2]" 1
479 1 32 VAL HA 1 104 LEU H . . 4.830 4.547 4.020 4.812 . 0 0 "[ . 1 . 2]" 1
480 1 31 GLN H 1 104 LEU H . . 4.570 3.333 2.925 3.795 . 0 0 "[ . 1 . 2]" 1
481 1 65 ILE MD 1 76 GLN HE22 . . 5.090 2.328 1.835 3.214 . 0 0 "[ . 1 . 2]" 1
482 1 66 HIS HB2 1 76 GLN HE22 . . 5.050 3.970 2.900 4.771 . 0 0 "[ . 1 . 2]" 1
483 1 65 ILE MG 1 76 GLN HE21 . . 4.410 3.438 2.534 4.093 . 0 0 "[ . 1 . 2]" 1
484 1 65 ILE MD 1 76 GLN HE21 . . 5.090 3.092 2.268 3.889 . 0 0 "[ . 1 . 2]" 1
485 1 21 ARG HB3 1 22 ASN HD21 . . 5.040 3.225 2.186 5.038 . 0 0 "[ . 1 . 2]" 1
486 1 21 ARG HB2 1 22 ASN HD21 . . 5.040 3.025 2.218 4.690 . 0 0 "[ . 1 . 2]" 1
487 1 21 ARG HB3 1 22 ASN HD22 . . 5.040 3.384 2.488 4.934 . 0 0 "[ . 1 . 2]" 1
488 1 86 LYS HB2 1 89 ASN HD22 . . 4.950 3.090 1.901 4.954 0.004 18 0 "[ . 1 . 2]" 1
489 1 46 GLN QB 1 46 GLN HE22 . . 4.610 4.119 3.968 4.186 . 0 0 "[ . 1 . 2]" 1
490 1 5 SER QB 1 6 SER H . . 4.940 3.108 2.136 3.820 . 0 0 "[ . 1 . 2]" 1
491 1 10 ASP H 1 10 ASP HB2 . . 4.100 2.713 2.292 3.568 . 0 0 "[ . 1 . 2]" 1
492 1 9 GLU HA 1 11 SER H . . 4.500 4.297 3.921 4.502 0.002 3 0 "[ . 1 . 2]" 1
493 1 9 GLU HA 1 12 LEU H . . 4.630 4.348 3.857 4.635 0.005 16 0 "[ . 1 . 2]" 1
494 1 12 LEU MD1 1 13 MET H . . 5.240 4.770 4.370 5.157 . 0 0 "[ . 1 . 2]" 1
495 1 13 MET H 1 13 MET HG3 . . 4.620 3.924 3.364 4.506 . 0 0 "[ . 1 . 2]" 1
496 1 14 PRO HG2 1 15 GLU H . . 3.970 3.886 3.753 3.997 0.027 9 0 "[ . 1 . 2]" 1
497 1 15 GLU HA 1 17 GLU H . . 5.150 4.928 4.027 5.172 0.022 20 0 "[ . 1 . 2]" 1
498 1 18 PHE H 1 18 PHE HB3 . . 3.790 2.561 2.304 2.902 . 0 0 "[ . 1 . 2]" 1
499 1 18 PHE H 1 18 PHE HB2 . . 3.790 2.577 2.276 2.818 . 0 0 "[ . 1 . 2]" 1
500 1 18 PHE H 1 18 PHE QD . . 4.840 4.153 3.970 4.212 . 0 0 "[ . 1 . 2]" 1
501 1 18 PHE H 1 19 LEU H . . 3.200 3.161 3.024 3.240 0.040 16 0 "[ . 1 . 2]" 1
502 1 18 PHE HB3 1 19 LEU H . . 4.430 2.281 2.015 2.623 . 0 0 "[ . 1 . 2]" 1
503 1 21 ARG H 1 22 ASN HD22 . . 5.500 5.235 4.221 5.491 . 0 0 "[ . 1 . 2]" 1
504 1 19 LEU HA 1 21 ARG H . . 4.240 4.130 3.979 4.239 . 0 0 "[ . 1 . 2]" 1
505 1 21 ARG HB2 1 22 ASN H . . 4.420 2.400 1.897 3.780 . 0 0 "[ . 1 . 2]" 1
506 1 23 LYS HG2 1 24 GLY H . . 5.500 4.240 2.066 5.535 0.035 8 0 "[ . 1 . 2]" 1
507 1 23 LYS HG3 1 24 GLY H . . 5.500 4.342 2.206 5.148 . 0 0 "[ . 1 . 2]" 1
508 1 23 LYS HB2 1 24 GLY H . . 4.050 3.543 2.229 4.136 0.086 15 0 "[ . 1 . 2]" 1
509 1 26 VAL H 1 53 PRO HA . . 3.800 3.023 2.416 3.498 . 0 0 "[ . 1 . 2]" 1
510 1 28 ILE H 1 50 PHE H . . 3.770 3.215 2.775 3.460 . 0 0 "[ . 1 . 2]" 1
511 1 40 GLU H 1 40 GLU HG3 . . 4.480 3.237 2.533 3.856 . 0 0 "[ . 1 . 2]" 1
512 1 41 TRP H 1 43 LEU HG . . 4.780 4.670 4.125 4.793 0.013 9 0 "[ . 1 . 2]" 1
513 1 41 TRP HE1 1 72 PRO HD2 . . 4.150 3.142 2.475 3.618 . 0 0 "[ . 1 . 2]" 1
514 1 41 TRP HE1 1 72 PRO HD3 . . 4.150 2.441 2.111 3.015 . 0 0 "[ . 1 . 2]" 1
515 1 41 TRP HE1 1 71 MET HA . . 4.100 3.423 2.998 3.856 . 0 0 "[ . 1 . 2]" 1
516 1 40 GLU HG2 1 41 TRP HE1 . . 4.540 3.381 2.544 4.126 . 0 0 "[ . 1 . 2]" 1
517 1 40 GLU HG3 1 41 TRP HE1 . . 4.540 3.158 2.498 3.833 . 0 0 "[ . 1 . 2]" 1
518 1 40 GLU HB2 1 41 TRP HE1 . . 5.500 5.179 4.738 5.460 . 0 0 "[ . 1 . 2]" 1
519 1 42 LYS H 1 69 THR HA . . 3.900 3.699 3.444 3.902 0.002 17 0 "[ . 1 . 2]" 1
520 1 43 LEU H 1 43 LEU HB3 . . 4.000 3.765 3.649 3.820 . 0 0 "[ . 1 . 2]" 1
521 1 43 LEU H 1 43 LEU MD2 . . 4.240 3.768 3.399 4.020 . 0 0 "[ . 1 . 2]" 1
522 1 106 LEU H 1 106 LEU HB3 . . 3.410 2.899 2.312 3.467 0.057 19 0 "[ . 1 . 2]" 1
523 1 32 VAL H 1 46 GLN H . . 3.870 3.621 3.455 3.812 . 0 0 "[ . 1 . 2]" 1
524 1 45 GLY H 1 46 GLN H . . 3.760 3.553 3.475 3.630 . 0 0 "[ . 1 . 2]" 1
525 1 32 VAL HB 1 46 GLN H . . 3.620 2.495 2.165 2.811 . 0 0 "[ . 1 . 2]" 1
526 1 46 GLN H 1 46 GLN QB . . 3.530 3.201 3.101 3.265 . 0 0 "[ . 1 . 2]" 1
527 1 32 VAL MG1 1 46 GLN H . . 4.380 3.381 3.132 3.788 . 0 0 "[ . 1 . 2]" 1
528 1 32 VAL MG2 1 46 GLN H . . 4.200 4.058 3.756 4.218 0.018 10 0 "[ . 1 . 2]" 1
529 1 49 VAL HB 1 50 PHE H . . 4.060 3.932 2.825 4.064 0.004 10 0 "[ . 1 . 2]" 1
530 1 52 LEU H 1 52 LEU HG . . 4.240 3.033 2.296 3.916 . 0 0 "[ . 1 . 2]" 1
531 1 51 THR MG 1 52 LEU H . . 4.160 3.284 2.817 3.967 . 0 0 "[ . 1 . 2]" 1
532 1 55 THR H 1 55 THR HB . . 4.110 3.736 3.634 3.793 . 0 0 "[ . 1 . 2]" 1
533 1 53 PRO HB2 1 55 THR H . . 4.250 4.194 4.093 4.291 0.041 8 0 "[ . 1 . 2]" 1
534 1 55 THR H 1 55 THR MG . . 3.710 3.218 3.083 3.457 . 0 0 "[ . 1 . 2]" 1
535 1 57 GLN H 1 60 VAL MG2 . . 3.840 3.590 3.259 3.838 . 0 0 "[ . 1 . 2]" 1
536 1 58 VAL H 1 90 SER HA . . 3.420 3.167 2.830 3.418 . 0 0 "[ . 1 . 2]" 1
537 1 58 VAL H 1 58 VAL MG1 . . 3.940 3.763 3.734 3.772 . 0 0 "[ . 1 . 2]" 1
538 1 35 MET HB2 1 43 LEU H . . 4.800 4.355 3.933 4.720 . 0 0 "[ . 1 . 2]" 1
539 1 60 VAL H 1 61 ILE HB . . 5.330 4.901 4.347 5.133 . 0 0 "[ . 1 . 2]" 1
540 1 60 VAL MG2 1 62 LYS H . . 4.890 4.315 4.121 4.462 . 0 0 "[ . 1 . 2]" 1
541 1 63 VAL H 1 73 ALA MB . . 4.420 3.767 3.323 4.231 . 0 0 "[ . 1 . 2]" 1
542 1 61 ILE HA 1 63 VAL H . . 5.450 4.579 4.079 5.002 . 0 0 "[ . 1 . 2]" 1
543 1 60 VAL HA 1 64 LYS H . . 5.150 4.716 4.207 5.150 0.000 11 0 "[ . 1 . 2]" 1
544 1 62 LYS HA 1 65 ILE H . . 4.510 3.434 3.172 3.788 . 0 0 "[ . 1 . 2]" 1
545 1 48 LEU MD1 1 68 ALA H . . 4.530 4.494 4.358 4.545 0.015 19 0 "[ . 1 . 2]" 1
546 1 75 LYS H 1 76 GLN QB . . 5.500 4.945 4.680 5.186 . 0 0 "[ . 1 . 2]" 1
547 1 75 LYS H 1 76 GLN H . . 3.190 2.795 2.466 3.001 . 0 0 "[ . 1 . 2]" 1
548 1 75 LYS HB2 1 76 GLN H . . 4.250 2.668 2.391 2.914 . 0 0 "[ . 1 . 2]" 1
549 1 76 GLN HG3 1 77 LYS H . . 5.450 4.163 3.662 4.928 . 0 0 "[ . 1 . 2]" 1
550 1 77 LYS H 1 106 LEU HA . . 4.160 3.542 3.052 3.843 . 0 0 "[ . 1 . 2]" 1
551 1 79 GLN H 1 104 LEU HA . . 4.590 3.618 3.044 4.173 . 0 0 "[ . 1 . 2]" 1
552 1 80 TYR HB2 1 81 GLU H . . 5.190 4.213 3.949 4.374 . 0 0 "[ . 1 . 2]" 1
553 1 80 TYR HA 1 82 GLY H . . 5.010 3.957 3.725 4.195 . 0 0 "[ . 1 . 2]" 1
554 1 88 SER H 1 89 ASN H . . 2.630 2.558 2.458 2.630 . 18 0 "[ . 1 . 2]" 1
555 1 86 LYS HB2 1 89 ASN HD21 . . 4.950 2.640 1.943 4.985 0.035 16 0 "[ . 1 . 2]" 1
556 1 86 LYS QD 1 89 ASN HD22 . . 4.310 3.685 2.904 4.371 0.061 18 0 "[ . 1 . 2]" 1
557 1 90 SER HA 1 92 ALA H . . 4.990 4.588 4.240 5.022 0.032 16 0 "[ . 1 . 2]" 1
558 1 15 GLU HG2 1 93 TYR H . . 5.300 4.810 4.166 5.300 . 0 0 "[ . 1 . 2]" 1
559 1 76 GLN HG3 1 78 LEU H . . 5.500 4.564 3.878 5.497 . 0 0 "[ . 1 . 2]" 1
560 1 91 LEU HA 1 94 TYR H . . 4.550 3.611 3.397 3.857 . 0 0 "[ . 1 . 2]" 1
561 1 93 TYR HB2 1 94 TYR H . . 4.510 3.879 3.715 4.161 . 0 0 "[ . 1 . 2]" 1
562 1 96 MET H 1 96 MET HB2 . . 3.540 2.463 2.247 2.563 . 0 0 "[ . 1 . 2]" 1
563 1 96 MET H 1 96 MET HB3 . . 3.900 3.590 3.531 3.627 . 0 0 "[ . 1 . 2]" 1
564 1 26 VAL MG2 1 98 SER H . . 5.150 5.094 4.890 5.169 0.019 13 0 "[ . 1 . 2]" 1
565 1 26 VAL HA 1 99 GLY H . . 3.710 3.689 3.595 3.724 0.014 19 0 "[ . 1 . 2]" 1
566 1 29 LYS HB2 1 102 ILE H . . 5.190 4.718 3.765 5.045 . 0 0 "[ . 1 . 2]" 1
567 1 100 ALA MB 1 102 ILE H . . 5.480 4.382 4.200 4.712 . 0 0 "[ . 1 . 2]" 1
568 1 29 LYS HB3 1 102 ILE H . . 4.340 3.891 3.601 4.360 0.020 17 0 "[ . 1 . 2]" 1
569 1 80 TYR HA 1 103 HIS H . . 4.610 3.506 2.373 3.834 . 0 0 "[ . 1 . 2]" 1
570 1 102 ILE HB 1 103 HIS H . . 4.600 4.351 4.246 4.423 . 0 0 "[ . 1 . 2]" 1
571 1 103 HIS HB3 1 104 LEU H . . 4.270 3.309 3.071 3.586 . 0 0 "[ . 1 . 2]" 1
572 1 43 LEU HB3 1 44 ASN H . . 4.760 3.842 3.795 3.893 . 0 0 "[ . 1 . 2]" 1
573 1 109 ARG H 1 109 ARG QG . . 4.580 3.160 1.931 4.315 . 0 0 "[ . 1 . 2]" 1
574 1 114 SER QB 1 115 GLY H . . 4.800 2.994 2.156 3.926 . 0 0 "[ . 1 . 2]" 1
575 1 54 LEU H 1 54 LEU MD2 . . 4.920 2.955 1.896 4.226 . 0 0 "[ . 1 . 2]" 1
576 1 54 LEU H 1 54 LEU HB3 . . 3.940 3.617 3.541 3.704 . 0 0 "[ . 1 . 2]" 1
577 1 54 LEU H 1 54 LEU HB2 . . 3.940 2.460 2.258 2.659 . 0 0 "[ . 1 . 2]" 1
578 1 53 PRO HA 1 54 LEU H . . 3.380 2.371 2.252 2.447 . 0 0 "[ . 1 . 2]" 1
579 1 54 LEU H 1 55 THR H . . 4.120 3.972 3.887 4.016 . 0 0 "[ . 1 . 2]" 1
580 1 41 TRP HD1 1 42 LYS H . . 4.510 4.338 4.136 4.518 0.008 4 0 "[ . 1 . 2]" 1
581 1 97 ALA HA 1 98 SER H . . 3.270 2.288 2.170 2.417 . 0 0 "[ . 1 . 2]" 1
582 1 51 THR HA 1 52 LEU H . . 3.420 2.166 2.143 2.186 . 0 0 "[ . 1 . 2]" 1
583 1 54 LEU H 1 54 LEU HG . . 4.250 3.379 2.163 4.230 . 0 0 "[ . 1 . 2]" 1
584 1 54 LEU H 1 54 LEU MD1 . . 4.920 3.244 1.985 3.892 . 0 0 "[ . 1 . 2]" 1
585 1 65 ILE MG 1 71 MET H . . 4.310 3.627 3.211 4.315 0.005 1 0 "[ . 1 . 2]" 1
586 1 71 MET H 1 71 MET HB3 . . 3.550 2.763 2.690 2.840 . 0 0 "[ . 1 . 2]" 1
587 1 91 LEU H 1 92 ALA H . . 3.890 2.670 2.449 2.948 . 0 0 "[ . 1 . 2]" 1
588 1 49 VAL H 1 50 PHE H . . 4.910 4.462 4.336 4.576 . 0 0 "[ . 1 . 2]" 1
589 1 27 SER HA 1 50 PHE H . . 4.390 4.305 4.026 4.397 0.007 2 0 "[ . 1 . 2]" 1
590 1 51 THR H 1 51 THR MG . . 4.790 3.611 2.812 3.884 . 0 0 "[ . 1 . 2]" 1
591 1 50 PHE HB3 1 51 THR H . . 4.920 3.370 2.935 3.700 . 0 0 "[ . 1 . 2]" 1
592 1 98 SER H 1 99 GLY H . . 5.280 4.635 4.585 4.653 . 0 0 "[ . 1 . 2]" 1
593 1 100 ALA H 1 101 VAL H . . 5.040 4.558 4.511 4.586 . 0 0 "[ . 1 . 2]" 1
594 1 29 LYS H 1 100 ALA H . . 5.490 4.598 4.098 4.887 . 0 0 "[ . 1 . 2]" 1
595 1 101 VAL H 1 102 ILE H . . 4.950 4.017 3.917 4.201 . 0 0 "[ . 1 . 2]" 1
596 1 103 HIS H 1 104 LEU H . . 5.310 4.518 4.433 4.584 . 0 0 "[ . 1 . 2]" 1
597 1 77 LYS H 1 107 LYS H . . 4.660 3.840 3.035 4.421 . 0 0 "[ . 1 . 2]" 1
598 1 79 GLN H 1 80 TYR H . . 4.550 4.389 4.217 4.522 . 0 0 "[ . 1 . 2]" 1
599 1 80 TYR H 1 82 GLY H . . 4.360 3.981 3.514 4.353 . 0 0 "[ . 1 . 2]" 1
600 1 80 TYR H 1 80 TYR QD . . 4.420 4.198 4.024 4.357 . 0 0 "[ . 1 . 2]" 1
601 1 80 TYR H 1 81 GLU H . . 5.500 4.129 3.947 4.300 . 0 0 "[ . 1 . 2]" 1
602 1 81 GLU H 1 103 HIS HD2 . . 4.470 3.484 2.513 4.144 . 0 0 "[ . 1 . 2]" 1
603 1 83 ILE H 1 84 PHE H . . 5.500 4.471 4.274 4.631 . 0 0 "[ . 1 . 2]" 1
604 1 84 PHE H 1 85 ILE H . . 5.000 3.614 3.212 4.036 . 0 0 "[ . 1 . 2]" 1
605 1 80 TYR H 1 85 ILE H . . 4.720 3.314 2.750 3.766 . 0 0 "[ . 1 . 2]" 1
606 1 85 ILE H 1 86 LYS H . . 4.700 4.558 4.324 4.627 . 0 0 "[ . 1 . 2]" 1
607 1 89 ASN H 1 90 SER H . . 4.760 4.563 4.449 4.627 . 0 0 "[ . 1 . 2]" 1
608 1 58 VAL H 1 89 ASN H . . 4.780 4.672 4.560 4.795 0.015 16 0 "[ . 1 . 2]" 1
609 1 87 ASP HA 1 89 ASN H . . 5.050 3.975 3.720 4.129 . 0 0 "[ . 1 . 2]" 1
610 1 90 SER H 1 91 LEU H . . 5.340 4.591 4.553 4.627 . 0 0 "[ . 1 . 2]" 1
611 1 91 LEU H 1 93 TYR H . . 5.500 4.119 3.800 4.544 . 0 0 "[ . 1 . 2]" 1
612 1 9 GLU H 1 11 SER H . . 5.500 4.760 3.652 5.427 . 0 0 "[ . 1 . 2]" 1
613 1 83 ILE HG13 1 84 PHE H . . 5.470 4.800 3.877 5.041 . 0 0 "[ . 1 . 2]" 1
614 1 83 ILE HG12 1 84 PHE H . . 4.470 4.307 4.098 4.502 0.032 15 0 "[ . 1 . 2]" 1
615 1 16 GLU H 1 18 PHE H . . 5.500 4.269 3.706 4.699 . 0 0 "[ . 1 . 2]" 1
616 1 19 LEU H 1 21 ARG H . . 5.440 4.183 4.065 4.295 . 0 0 "[ . 1 . 2]" 1
617 1 21 ARG H 1 22 ASN HD21 . . 5.500 4.377 3.883 5.485 . 0 0 "[ . 1 . 2]" 1
618 1 79 GLN HE21 1 84 PHE QE . . 4.990 3.384 2.049 4.843 . 0 0 "[ . 1 . 2]" 1
619 1 79 GLN HE22 1 84 PHE QE . . 4.990 4.008 3.029 4.929 . 0 0 "[ . 1 . 2]" 1
620 1 23 LYS H 1 23 LYS HG2 . . 5.410 3.810 1.896 4.932 . 0 0 "[ . 1 . 2]" 1
621 1 23 LYS H 1 23 LYS HG3 . . 5.410 3.730 2.212 4.640 . 0 0 "[ . 1 . 2]" 1
622 1 85 ILE HB 1 85 ILE MD . . 3.390 2.238 2.125 2.356 . 0 0 "[ . 1 . 2]" 1
623 1 78 LEU HB3 1 85 ILE MD . . 3.370 2.405 2.076 3.114 . 0 0 "[ . 1 . 2]" 1
624 1 58 VAL MG1 1 85 ILE MD . . 3.010 2.121 1.813 2.793 . 0 0 "[ . 1 . 2]" 1
625 1 85 ILE MD 1 102 ILE MD . . 3.240 2.178 1.828 2.721 . 0 0 "[ . 1 . 2]" 1
626 1 85 ILE MD 1 85 ILE MG . . 3.320 2.244 2.059 2.496 . 0 0 "[ . 1 . 2]" 1
627 1 96 MET ME 1 102 ILE MD . . 3.140 2.647 1.885 2.951 . 0 0 "[ . 1 . 2]" 1
628 1 61 ILE HB 1 61 ILE MD . . 3.390 2.377 2.179 3.230 . 0 0 "[ . 1 . 2]" 1
629 1 52 LEU HB2 1 52 LEU MD2 . . 3.600 2.954 2.299 3.187 . 0 0 "[ . 1 . 2]" 1
630 1 52 LEU HB3 1 52 LEU MD2 . . 3.600 2.284 1.988 3.190 . 0 0 "[ . 1 . 2]" 1
631 1 48 LEU HB2 1 48 LEU MD1 . . 3.310 2.267 2.146 2.379 . 0 0 "[ . 1 . 2]" 1
632 1 20 ARG HB2 1 20 ARG QD . . 3.390 2.806 2.158 3.403 0.013 11 0 "[ . 1 . 2]" 1
633 1 78 LEU HB2 1 78 LEU MD1 . . 3.460 2.360 2.200 2.498 . 0 0 "[ . 1 . 2]" 1
634 1 78 LEU HB3 1 78 LEU MD1 . . 3.560 2.326 2.174 2.476 . 0 0 "[ . 1 . 2]" 1
635 1 106 LEU H 1 106 LEU HB2 . . 3.410 2.537 2.153 3.271 . 0 0 "[ . 1 . 2]" 1
636 1 19 LEU HB2 1 19 LEU MD1 . . 3.430 2.227 2.111 2.366 . 0 0 "[ . 1 . 2]" 1
637 1 80 TYR HB3 1 85 ILE HG12 . . 4.300 3.083 2.764 3.319 . 0 0 "[ . 1 . 2]" 1
638 1 107 LYS QE 1 107 LYS HG2 . . 3.460 2.537 2.114 3.460 . 0 0 "[ . 1 . 2]" 1
639 1 107 LYS QE 1 107 LYS HG3 . . 3.460 2.789 2.251 3.461 0.001 2 0 "[ . 1 . 2]" 1
640 1 29 LYS QE 1 29 LYS HG3 . . 3.680 2.434 2.077 3.284 . 0 0 "[ . 1 . 2]" 1
641 1 29 LYS QE 1 29 LYS HG2 . . 3.680 2.830 2.239 3.465 . 0 0 "[ . 1 . 2]" 1
642 1 29 LYS QE 1 49 VAL QG . . 4.380 3.025 2.212 4.058 . 0 0 "[ . 1 . 2]" 1
643 1 12 LEU HB3 1 12 LEU MD2 . . 3.580 2.232 2.034 2.331 . 0 0 "[ . 1 . 2]" 1
644 1 87 ASP H 1 87 ASP HB3 . . 3.970 2.940 2.782 3.109 . 0 0 "[ . 1 . 2]" 1
645 1 10 ASP H 1 10 ASP HB3 . . 4.100 2.804 2.269 3.674 . 0 0 "[ . 1 . 2]" 1
646 1 43 LEU MD2 1 69 THR HB . . 3.850 3.732 3.474 3.859 0.009 18 0 "[ . 1 . 2]" 1
647 1 28 ILE HB 1 28 ILE MD . . 3.550 2.139 2.067 2.328 . 0 0 "[ . 1 . 2]" 1
648 1 83 ILE HB 1 83 ILE MD . . 3.110 2.284 2.072 2.406 . 0 0 "[ . 1 . 2]" 1
649 1 30 VAL HA 1 102 ILE HB . . 3.730 2.753 2.542 3.028 . 0 0 "[ . 1 . 2]" 1
650 1 30 VAL MG2 1 102 ILE HB . . 3.350 2.471 2.109 2.870 . 0 0 "[ . 1 . 2]" 1
651 1 102 ILE HB 1 102 ILE MD . . 3.220 3.217 3.215 3.227 0.007 2 0 "[ . 1 . 2]" 1
652 1 43 LEU HB3 1 43 LEU MD1 . . 3.350 2.433 2.275 2.537 . 0 0 "[ . 1 . 2]" 1
653 1 43 LEU HB2 1 43 LEU MD1 . . 3.170 2.250 2.087 2.375 . 0 0 "[ . 1 . 2]" 1
654 1 65 ILE HB 1 65 ILE MD . . 3.470 2.296 2.100 2.463 . 0 0 "[ . 1 . 2]" 1
655 1 9 GLU HA 1 9 GLU QG . . 3.770 2.537 2.187 3.441 . 0 0 "[ . 1 . 2]" 1
656 1 40 GLU H 1 40 GLU HG2 . . 4.480 2.393 1.933 3.000 . 0 0 "[ . 1 . 2]" 1
657 1 30 VAL HB 1 48 LEU HB2 . . 3.510 2.077 1.990 2.339 . 0 0 "[ . 1 . 2]" 1
658 1 80 TYR QD 1 85 ILE MG . . 4.060 2.722 2.425 2.887 . 0 0 "[ . 1 . 2]" 1
659 1 80 TYR HA 1 80 TYR QD . . 3.900 2.541 2.267 2.759 . 0 0 "[ . 1 . 2]" 1
660 1 63 VAL HA 1 66 HIS HB3 . . 3.760 3.209 2.743 3.579 . 0 0 "[ . 1 . 2]" 1
661 1 63 VAL HA 1 63 VAL MG1 . . 3.260 3.178 3.161 3.191 . 0 0 "[ . 1 . 2]" 1
662 1 63 VAL HA 1 63 VAL MG2 . . 3.060 2.227 2.135 2.296 . 0 0 "[ . 1 . 2]" 1
663 1 60 VAL HA 1 63 VAL HB . . 3.470 3.417 3.234 3.493 0.023 17 0 "[ . 1 . 2]" 1
664 1 60 VAL HA 1 60 VAL MG1 . . 3.180 2.293 2.132 2.414 . 0 0 "[ . 1 . 2]" 1
665 1 62 LYS HB3 1 62 LYS QD . . 3.830 2.234 2.046 2.629 . 0 0 "[ . 1 . 2]" 1
666 1 65 ILE HA 1 65 ILE HG12 . . 3.650 2.667 2.485 2.823 . 0 0 "[ . 1 . 2]" 1
667 1 65 ILE HA 1 65 ILE HG13 . . 3.650 2.851 2.681 3.004 . 0 0 "[ . 1 . 2]" 1
668 1 65 ILE HA 1 65 ILE MG . . 3.230 2.398 2.264 2.477 . 0 0 "[ . 1 . 2]" 1
669 1 58 VAL HA 1 58 VAL MG2 . . 3.310 2.378 2.270 2.476 . 0 0 "[ . 1 . 2]" 1
670 1 58 VAL HA 1 91 LEU MD1 . . 3.010 2.758 2.052 3.022 0.012 16 0 "[ . 1 . 2]" 1
671 1 58 VAL HA 1 58 VAL MG1 . . 3.290 2.360 2.261 2.461 . 0 0 "[ . 1 . 2]" 1
672 1 58 VAL HA 1 61 ILE MD . . 3.550 2.192 1.787 3.548 . 0 0 "[ . 1 . 2]" 1
673 1 84 PHE HA 1 84 PHE QD . . 3.650 2.405 2.107 2.983 . 0 0 "[ . 1 . 2]" 1
674 1 63 VAL HB 1 64 LYS H . . 3.780 3.783 3.645 3.990 0.210 13 0 "[ . 1 . 2]" 1
675 1 58 VAL H 1 58 VAL HB . . 3.720 2.536 2.395 2.675 . 0 0 "[ . 1 . 2]" 1
676 1 71 MET ME 1 76 GLN QB . . 3.280 2.112 1.913 2.449 . 0 0 "[ . 1 . 2]" 1
677 1 20 ARG H 1 20 ARG HB3 . . 3.760 3.589 3.581 3.611 . 0 0 "[ . 1 . 2]" 1
678 1 14 PRO HA 1 15 GLU H . . 3.330 2.674 2.620 2.737 . 0 0 "[ . 1 . 2]" 1
679 1 14 PRO HA 1 15 GLU QB . . 4.860 4.142 4.072 4.219 . 0 0 "[ . 1 . 2]" 1
680 1 27 SER QB 1 49 VAL QG . . 3.560 3.427 2.776 3.572 0.012 10 0 "[ . 1 . 2]" 1
681 1 48 LEU MD1 1 50 PHE HZ . . 3.420 2.360 1.994 2.914 . 0 0 "[ . 1 . 2]" 1
682 1 77 LYS HB3 1 77 LYS QD . . 3.490 2.811 2.178 3.385 . 0 0 "[ . 1 . 2]" 1
683 1 77 LYS HB2 1 77 LYS QD . . 2.880 2.421 2.093 2.917 0.037 1 0 "[ . 1 . 2]" 1
684 1 39 THR HA 1 39 THR HB . . 2.650 2.435 2.354 2.517 . 0 0 "[ . 1 . 2]" 1
685 1 16 GLU HB2 1 17 GLU H . . 3.940 2.817 2.107 3.979 0.039 8 0 "[ . 1 . 2]" 1
686 1 16 GLU HB3 1 17 GLU H . . 3.940 2.897 2.148 3.921 . 0 0 "[ . 1 . 2]" 1
687 1 102 ILE HG13 1 102 ILE MG . . 3.280 2.392 2.294 2.517 . 0 0 "[ . 1 . 2]" 1
688 1 102 ILE HG12 1 102 ILE MG . . 3.280 3.194 3.183 3.200 . 0 0 "[ . 1 . 2]" 1
689 1 85 ILE HA 1 85 ILE MG . . 3.660 2.263 2.086 2.380 . 0 0 "[ . 1 . 2]" 1
690 1 91 LEU H 1 91 LEU HG . . 3.730 2.821 2.378 3.246 . 0 0 "[ . 1 . 2]" 1
691 1 91 LEU HA 1 91 LEU HG . . 4.070 2.629 2.349 2.908 . 0 0 "[ . 1 . 2]" 1
692 1 15 GLU QB 1 93 TYR HA . . 3.560 3.337 2.715 3.565 0.005 16 0 "[ . 1 . 2]" 1
693 1 41 TRP HE3 1 43 LEU MD1 . . 3.750 1.984 1.834 2.248 . 0 0 "[ . 1 . 2]" 1
694 1 35 MET HB2 1 43 LEU MD1 . . 3.040 2.191 1.806 2.685 . 0 0 "[ . 1 . 2]" 1
695 1 83 ILE HA 1 83 ILE HG12 . . 3.530 2.705 2.508 3.443 . 0 0 "[ . 1 . 2]" 1
696 1 83 ILE HA 1 83 ILE MG . . 3.470 2.389 2.274 2.518 . 0 0 "[ . 1 . 2]" 1
697 1 15 GLU HA 1 15 GLU HG3 . . 3.140 2.553 2.311 2.817 . 0 0 "[ . 1 . 2]" 1
698 1 12 LEU MD1 1 94 TYR HA . . 3.490 3.008 2.396 3.466 . 0 0 "[ . 1 . 2]" 1
699 1 12 LEU MD2 1 94 TYR HA . . 3.600 3.422 2.475 3.609 0.009 14 0 "[ . 1 . 2]" 1
700 1 48 LEU HB3 1 48 LEU MD1 . . 3.430 2.415 2.295 2.495 . 0 0 "[ . 1 . 2]" 1
701 1 41 TRP HA 1 41 TRP HD1 . . 3.680 2.326 2.176 2.528 . 0 0 "[ . 1 . 2]" 1
702 1 91 LEU HA 1 91 LEU MD2 . . 3.580 2.746 2.155 3.532 . 0 0 "[ . 1 . 2]" 1
703 1 67 GLU HA 1 67 GLU HG3 . . 4.220 3.581 2.683 3.635 . 0 0 "[ . 1 . 2]" 1
704 1 19 LEU HB3 1 19 LEU MD1 . . 3.570 2.405 2.255 2.522 . 0 0 "[ . 1 . 2]" 1
705 1 16 GLU HA 1 19 LEU MD1 . . 3.800 3.061 2.683 3.642 . 0 0 "[ . 1 . 2]" 1
706 1 19 LEU MD1 1 55 THR MG . . 4.290 4.282 4.182 4.316 0.026 16 0 "[ . 1 . 2]" 1
707 1 54 LEU HA 1 91 LEU MD1 . . 3.610 3.037 2.072 3.616 0.006 2 0 "[ . 1 . 2]" 1
708 1 91 LEU HB2 1 91 LEU MD1 . . 3.440 2.105 1.987 2.266 . 0 0 "[ . 1 . 2]" 1
709 1 91 LEU HB3 1 91 LEU MD1 . . 3.440 2.753 2.469 3.112 . 0 0 "[ . 1 . 2]" 1
710 1 12 LEU HB2 1 12 LEU MD1 . . 3.380 2.128 2.003 2.255 . 0 0 "[ . 1 . 2]" 1
711 1 12 LEU HB3 1 12 LEU MD1 . . 3.380 2.549 2.438 2.644 . 0 0 "[ . 1 . 2]" 1
712 1 96 MET HA 1 96 MET HG2 . . 3.440 2.526 2.341 2.852 . 0 0 "[ . 1 . 2]" 1
713 1 36 GLN HA 1 36 GLN QG . . 3.850 2.759 2.136 3.294 . 0 0 "[ . 1 . 2]" 1
714 1 64 LYS HA 1 67 GLU HB2 . . 3.670 2.528 2.333 2.948 . 0 0 "[ . 1 . 2]" 1
715 1 64 LYS HA 1 64 LYS HG3 . . 3.850 3.798 3.751 3.849 . 0 0 "[ . 1 . 2]" 1
716 1 19 LEU HA 1 19 LEU MD2 . . 3.350 2.076 1.945 2.378 . 0 0 "[ . 1 . 2]" 1
717 1 19 LEU HB3 1 19 LEU MD2 . . 3.110 2.343 2.180 2.440 . 0 0 "[ . 1 . 2]" 1
718 1 19 LEU HB2 1 19 LEU MD2 . . 3.220 3.185 3.172 3.194 . 0 0 "[ . 1 . 2]" 1
719 1 9 GLU HA 1 12 LEU HG . . 3.810 2.191 1.992 2.584 . 0 0 "[ . 1 . 2]" 1
720 1 106 LEU HA 1 106 LEU MD2 . . 4.570 2.937 1.971 4.019 . 0 0 "[ . 1 . 2]" 1
721 1 58 VAL MG2 1 85 ILE HB . . 3.710 2.219 1.971 2.622 . 0 0 "[ . 1 . 2]" 1
722 1 58 VAL MG2 1 85 ILE MD . . 3.850 2.494 1.794 3.170 . 0 0 "[ . 1 . 2]" 1
723 1 57 GLN HA 1 90 SER HA . . 3.530 2.073 1.982 2.271 . 0 0 "[ . 1 . 2]" 1
724 1 58 VAL HB 1 87 ASP HA . . 3.280 2.128 1.978 2.412 . 0 0 "[ . 1 . 2]" 1
725 1 52 LEU HB2 1 52 LEU MD1 . . 3.600 2.236 2.008 3.176 . 0 0 "[ . 1 . 2]" 1
726 1 58 VAL MG2 1 91 LEU MD2 . . 3.790 2.448 1.852 3.490 . 0 0 "[ . 1 . 2]" 1
727 1 21 ARG HA 1 21 ARG HG2 . . 3.790 2.656 2.266 3.691 . 0 0 "[ . 1 . 2]" 1
728 1 107 LYS HA 1 107 LYS HG2 . . 3.680 2.994 2.295 3.446 . 0 0 "[ . 1 . 2]" 1
729 1 107 LYS HA 1 107 LYS HG3 . . 3.680 2.633 2.324 3.565 . 0 0 "[ . 1 . 2]" 1
730 1 32 VAL MG1 1 43 LEU MD2 . . 2.870 1.751 1.645 1.989 . 0 0 "[ . 1 . 2]" 1
731 1 81 GLU HA 1 81 GLU HG3 . . 4.210 3.542 2.708 3.785 . 0 0 "[ . 1 . 2]" 1
732 1 57 GLN H 1 60 VAL MG1 . . 3.660 3.241 2.967 3.607 . 0 0 "[ . 1 . 2]" 1
733 1 32 VAL MG2 1 48 LEU HG . . 3.600 2.081 1.896 2.755 . 0 0 "[ . 1 . 2]" 1
734 1 48 LEU MD2 1 68 ALA MB . . 3.570 3.131 2.817 3.491 . 0 0 "[ . 1 . 2]" 1
735 1 77 LYS HB3 1 105 ALA MB . . 3.480 2.514 1.931 3.247 . 0 0 "[ . 1 . 2]" 1
736 1 30 VAL MG1 1 32 VAL MG2 . . 3.450 2.094 1.931 2.269 . 0 0 "[ . 1 . 2]" 1
737 1 19 LEU MD2 1 55 THR MG . . 3.940 3.724 3.211 3.956 0.016 9 0 "[ . 1 . 2]" 1
738 1 78 LEU MD2 1 104 LEU HA . . 3.890 2.992 2.145 3.410 . 0 0 "[ . 1 . 2]" 1
739 1 76 GLN QB 1 78 LEU MD2 . . 4.250 3.538 2.988 4.168 . 0 0 "[ . 1 . 2]" 1
740 1 62 LYS HB3 1 73 ALA HA . . 4.380 2.726 2.419 2.923 . 0 0 "[ . 1 . 2]" 1
741 1 32 VAL MG1 1 44 ASN H . . 3.890 2.803 2.470 3.500 . 0 0 "[ . 1 . 2]" 1
742 1 60 VAL HA 1 63 VAL MG1 . . 3.400 2.503 2.051 3.317 . 0 0 "[ . 1 . 2]" 1
743 1 58 VAL MG1 1 85 ILE HB . . 3.670 3.018 2.508 3.674 0.004 15 0 "[ . 1 . 2]" 1
744 1 39 THR HA 1 39 THR MG . . 3.340 3.163 2.480 3.207 . 0 0 "[ . 1 . 2]" 1
745 1 8 THR HA 1 8 THR MG . . 3.200 2.157 1.974 2.407 . 0 0 "[ . 1 . 2]" 1
746 1 101 VAL HA 1 101 VAL MG1 . . 3.540 3.188 3.183 3.199 . 0 0 "[ . 1 . 2]" 1
747 1 12 LEU HA 1 12 LEU MD2 . . 3.180 2.249 2.039 2.565 . 0 0 "[ . 1 . 2]" 1
748 1 27 SER HA 1 51 THR MG . . 3.530 3.103 2.157 3.502 . 0 0 "[ . 1 . 2]" 1
749 1 50 PHE HA 1 50 PHE QD . . 3.630 2.539 2.221 2.795 . 0 0 "[ . 1 . 2]" 1
750 1 68 ALA MB 1 69 THR H . . 3.730 2.322 2.138 2.479 . 0 0 "[ . 1 . 2]" 1
751 1 65 ILE HA 1 68 ALA MB . . 3.700 3.576 3.219 3.711 0.011 18 0 "[ . 1 . 2]" 1
752 1 48 LEU MD1 1 68 ALA MB . . 3.050 2.541 2.333 2.784 . 0 0 "[ . 1 . 2]" 1
753 1 65 ILE MG 1 69 THR MG . . 3.550 3.034 2.702 3.272 . 0 0 "[ . 1 . 2]" 1
754 1 60 VAL HA 1 60 VAL MG2 . . 3.410 3.184 3.176 3.188 . 0 0 "[ . 1 . 2]" 1
755 1 60 VAL MG2 1 61 ILE MD . . 3.900 2.793 1.712 3.741 . 0 0 "[ . 1 . 2]" 1
756 1 101 VAL MG2 1 102 ILE H . . 4.000 2.950 2.579 3.136 . 0 0 "[ . 1 . 2]" 1
757 1 101 VAL HA 1 101 VAL MG2 . . 3.610 2.385 2.279 2.462 . 0 0 "[ . 1 . 2]" 1
758 1 69 THR H 1 69 THR MG . . 3.780 2.517 2.352 2.616 . 0 0 "[ . 1 . 2]" 1
759 1 69 THR HG1 1 69 THR MG . . 3.480 3.042 3.032 3.051 . 0 0 "[ . 1 . 2]" 1
760 1 68 ALA MB 1 69 THR MG . . 3.560 2.638 2.505 2.825 . 0 0 "[ . 1 . 2]" 1
761 1 48 LEU MD1 1 69 THR MG . . 3.150 2.228 1.893 2.816 . 0 0 "[ . 1 . 2]" 1
762 1 30 VAL HA 1 30 VAL MG2 . . 3.700 2.283 2.223 2.404 . 0 0 "[ . 1 . 2]" 1
763 1 30 VAL HA 1 30 VAL MG1 . . 3.450 2.331 2.264 2.379 . 0 0 "[ . 1 . 2]" 1
764 1 29 LYS HA 1 49 VAL HA . . 3.760 2.518 2.205 2.768 . 0 0 "[ . 1 . 2]" 1
765 1 71 MET HA 1 72 PRO HD3 . . 3.330 2.262 2.253 2.291 . 0 0 "[ . 1 . 2]" 1
766 1 78 LEU HA 1 78 LEU MD2 . . 3.450 2.080 1.922 2.297 . 0 0 "[ . 1 . 2]" 1
767 1 85 ILE MD 1 102 ILE MG . . 4.110 2.555 2.099 3.126 . 0 0 "[ . 1 . 2]" 1
768 1 48 LEU HA 1 48 LEU MD2 . . 3.530 2.056 1.970 2.357 . 0 0 "[ . 1 . 2]" 1
769 1 80 TYR QE 1 100 ALA MB . . 3.510 2.891 2.555 3.318 . 0 0 "[ . 1 . 2]" 1
770 1 96 MET HB3 1 100 ALA MB . . 3.800 3.192 2.600 3.604 . 0 0 "[ . 1 . 2]" 1
771 1 66 HIS HD2 1 72 PRO HA . . 3.660 2.323 2.044 2.732 . 0 0 "[ . 1 . 2]" 1
772 1 15 GLU HG3 1 92 ALA MB . . 3.610 1.880 1.772 2.015 . 0 0 "[ . 1 . 2]" 1
773 1 28 ILE MG 1 100 ALA MB . . 3.270 2.027 1.792 2.250 . 0 0 "[ . 1 . 2]" 1
774 1 28 ILE HG13 1 28 ILE MG . . 3.400 2.954 2.612 3.187 . 0 0 "[ . 1 . 2]" 1
775 1 65 ILE MG 1 69 THR HG1 . . 3.400 2.357 2.041 2.739 . 0 0 "[ . 1 . 2]" 1
776 1 65 ILE MD 1 65 ILE MG . . 2.930 2.190 1.938 2.532 . 0 0 "[ . 1 . 2]" 1
777 1 85 ILE H 1 85 ILE MG . . 3.390 2.345 1.956 2.780 . 0 0 "[ . 1 . 2]" 1
778 1 80 TYR HB3 1 85 ILE MG . . 3.850 2.223 1.962 2.596 . 0 0 "[ . 1 . 2]" 1
779 1 83 ILE MG 1 85 ILE MG . . 3.430 2.248 1.789 2.789 . 0 0 "[ . 1 . 2]" 1
780 1 85 ILE HG12 1 85 ILE MG . . 3.380 2.242 2.048 2.387 . 0 0 "[ . 1 . 2]" 1
781 1 71 MET HA 1 72 PRO HD2 . . 3.330 2.115 2.024 2.171 . 0 0 "[ . 1 . 2]" 1
782 1 32 VAL HA 1 33 PRO HD2 . . 3.690 1.948 1.912 2.012 . 0 0 "[ . 1 . 2]" 1
783 1 32 VAL HA 1 33 PRO HD3 . . 3.690 2.375 2.297 2.487 . 0 0 "[ . 1 . 2]" 1
784 1 32 VAL MG1 1 33 PRO HD3 . . 3.970 3.714 3.464 3.921 . 0 0 "[ . 1 . 2]" 1
785 1 7 GLY QA 1 8 THR MG . . 5.500 4.500 3.761 5.229 . 0 0 "[ . 1 . 2]" 1
786 1 8 THR HB 1 10 ASP H . . 4.820 3.515 2.489 4.823 0.003 16 0 "[ . 1 . 2]" 1
787 1 9 GLU HA 1 12 LEU MD2 . . 3.960 2.948 2.053 3.570 . 0 0 "[ . 1 . 2]" 1
788 1 9 GLU HB2 1 12 LEU MD1 . . 4.420 3.555 1.957 4.247 . 0 0 "[ . 1 . 2]" 1
789 1 9 GLU HB3 1 12 LEU MD1 . . 4.420 2.916 1.955 4.179 . 0 0 "[ . 1 . 2]" 1
790 1 9 GLU QG 1 12 LEU MD1 . . 3.770 2.712 1.835 3.775 0.005 10 0 "[ . 1 . 2]" 1
791 1 9 GLU QG 1 83 ILE HG12 . . 4.360 3.281 2.612 4.092 . 0 0 "[ . 1 . 2]" 1
792 1 9 GLU QG 1 10 ASP H . . 5.190 4.438 3.958 4.852 . 0 0 "[ . 1 . 2]" 1
793 1 11 SER HB3 1 12 LEU H . . 4.990 4.382 4.224 4.653 . 0 0 "[ . 1 . 2]" 1
794 1 9 GLU QG 1 12 LEU MD2 . . 4.820 3.715 2.530 4.689 . 0 0 "[ . 1 . 2]" 1
795 1 12 LEU MD2 1 94 TYR QD . . 4.870 4.243 3.334 4.864 . 0 0 "[ . 1 . 2]" 1
796 1 12 LEU MD2 1 95 ASN H . . 5.380 4.866 4.167 5.222 . 0 0 "[ . 1 . 2]" 1
797 1 12 LEU MD2 1 95 ASN HD21 . . 5.500 4.299 3.001 5.240 . 0 0 "[ . 1 . 2]" 1
798 1 9 GLU HA 1 12 LEU MD1 . . 3.600 2.301 1.896 3.510 . 0 0 "[ . 1 . 2]" 1
799 1 12 LEU MD1 1 94 TYR QD . . 4.080 3.239 2.629 3.922 . 0 0 "[ . 1 . 2]" 1
800 1 71 MET HA 1 71 MET HG3 . . 4.050 2.321 2.218 2.380 . 0 0 "[ . 1 . 2]" 1
801 1 71 MET HA 1 71 MET HG2 . . 4.250 3.027 2.834 3.115 . 0 0 "[ . 1 . 2]" 1
802 1 69 THR HG1 1 71 MET HB2 . . 5.190 2.668 2.322 2.912 . 0 0 "[ . 1 . 2]" 1
803 1 69 THR HG1 1 71 MET HB3 . . 5.190 2.636 2.423 2.864 . 0 0 "[ . 1 . 2]" 1
804 1 13 MET HG3 1 14 PRO HD3 . . 4.580 3.440 3.002 4.643 0.063 1 0 "[ . 1 . 2]" 1
805 1 13 MET HG3 1 14 PRO HD2 . . 4.580 2.435 1.961 3.781 . 0 0 "[ . 1 . 2]" 1
806 1 15 GLU HA 1 92 ALA MB . . 4.200 2.736 2.149 3.371 . 0 0 "[ . 1 . 2]" 1
807 1 15 GLU HA 1 15 GLU HG2 . . 3.530 2.824 2.555 3.037 . 0 0 "[ . 1 . 2]" 1
808 1 15 GLU HA 1 18 PHE HB3 . . 4.340 2.512 2.069 2.851 . 0 0 "[ . 1 . 2]" 1
809 1 15 GLU HA 1 18 PHE HB2 . . 4.340 3.294 2.764 3.681 . 0 0 "[ . 1 . 2]" 1
810 1 15 GLU HA 1 18 PHE H . . 4.490 3.792 3.060 4.042 . 0 0 "[ . 1 . 2]" 1
811 1 15 GLU HG3 1 19 LEU MD1 . . 5.030 4.476 3.758 4.941 . 0 0 "[ . 1 . 2]" 1
812 1 15 GLU H 1 15 GLU HG3 . . 4.780 4.523 4.403 4.652 . 0 0 "[ . 1 . 2]" 1
813 1 15 GLU HG3 1 16 GLU H . . 4.920 4.898 4.729 4.950 0.030 18 0 "[ . 1 . 2]" 1
814 1 15 GLU HG2 1 19 LEU MD2 . . 4.680 3.546 2.604 4.245 . 0 0 "[ . 1 . 2]" 1
815 1 15 GLU H 1 15 GLU HG2 . . 4.930 4.533 4.472 4.616 . 0 0 "[ . 1 . 2]" 1
816 1 16 GLU H 1 16 GLU HG3 . . 4.570 3.383 1.982 4.447 . 0 0 "[ . 1 . 2]" 1
817 1 16 GLU HG3 1 17 GLU H . . 5.080 3.980 1.900 4.728 . 0 0 "[ . 1 . 2]" 1
818 1 16 GLU HG2 1 17 GLU H . . 5.080 4.002 2.079 4.855 . 0 0 "[ . 1 . 2]" 1
819 1 18 PHE HA 1 21 ARG HB3 . . 5.000 4.307 3.272 4.664 . 0 0 "[ . 1 . 2]" 1
820 1 6 SER QB 1 7 GLY H . . 4.240 3.045 2.250 4.050 . 0 0 "[ . 1 . 2]" 1
821 1 19 LEU HB3 1 20 ARG HA . . 5.110 4.479 4.290 4.555 . 0 0 "[ . 1 . 2]" 1
822 1 19 LEU HB3 1 20 ARG H . . 4.350 3.725 3.540 3.888 . 0 0 "[ . 1 . 2]" 1
823 1 19 LEU HB2 1 20 ARG HA . . 5.190 4.220 4.144 4.385 . 0 0 "[ . 1 . 2]" 1
824 1 15 GLU HG2 1 19 LEU MD1 . . 4.010 3.084 2.285 3.467 . 0 0 "[ . 1 . 2]" 1
825 1 17 GLU HA 1 20 ARG QD . . 4.090 3.069 1.991 4.092 0.002 18 0 "[ . 1 . 2]" 1
826 1 20 ARG H 1 20 ARG QD . . 4.400 3.737 3.189 4.301 . 0 0 "[ . 1 . 2]" 1
827 1 21 ARG HB2 1 22 ASN HD22 . . 5.040 3.540 2.757 5.050 0.010 19 0 "[ . 1 . 2]" 1
828 1 21 ARG H 1 21 ARG HG3 . . 4.370 3.499 2.184 4.408 0.038 19 0 "[ . 1 . 2]" 1
829 1 21 ARG HB3 1 21 ARG HD3 . . 4.080 2.831 2.109 3.580 . 0 0 "[ . 1 . 2]" 1
830 1 21 ARG HB2 1 21 ARG HD3 . . 4.080 3.347 2.297 4.195 0.115 20 0 "[ . 1 . 2]" 1
831 1 21 ARG HB2 1 21 ARG HD2 . . 4.080 3.346 2.237 4.099 0.019 1 0 "[ . 1 . 2]" 1
832 1 21 ARG HB3 1 21 ARG HD2 . . 4.080 2.938 2.182 3.825 . 0 0 "[ . 1 . 2]" 1
833 1 21 ARG HA 1 21 ARG HD2 . . 5.230 3.872 2.431 4.910 . 0 0 "[ . 1 . 2]" 1
834 1 21 ARG HA 1 21 ARG HD3 . . 5.230 3.518 2.038 4.863 . 0 0 "[ . 1 . 2]" 1
835 1 42 LYS HA 1 42 LYS HG2 . . 4.250 2.557 2.248 2.908 . 0 0 "[ . 1 . 2]" 1
836 1 42 LYS HA 1 42 LYS HG3 . . 4.250 3.521 3.079 3.803 . 0 0 "[ . 1 . 2]" 1
837 1 27 SER H 1 28 ILE MG . . 5.500 4.204 3.748 4.474 . 0 0 "[ . 1 . 2]" 1
838 1 28 ILE MG 1 29 LYS H . . 4.260 3.891 3.648 4.156 . 0 0 "[ . 1 . 2]" 1
839 1 28 ILE HG12 1 28 ILE MG . . 3.400 2.154 1.984 2.311 . 0 0 "[ . 1 . 2]" 1
840 1 27 SER HA 1 28 ILE MG . . 5.080 3.749 3.548 4.139 . 0 0 "[ . 1 . 2]" 1
841 1 27 SER QB 1 51 THR MG . . 4.620 2.992 1.901 4.180 . 0 0 "[ . 1 . 2]" 1
842 1 26 VAL HB 1 27 SER QB . . 5.120 4.907 4.512 5.126 0.006 12 0 "[ . 1 . 2]" 1
843 1 27 SER QB 1 98 SER HA . . 4.610 4.528 3.842 4.620 0.010 8 0 "[ . 1 . 2]" 1
844 1 28 ILE HB 1 100 ALA MB . . 4.450 3.143 2.762 3.496 . 0 0 "[ . 1 . 2]" 1
845 1 28 ILE MD 1 102 ILE HA . . 5.110 4.940 4.156 5.120 0.010 9 0 "[ . 1 . 2]" 1
846 1 28 ILE H 1 28 ILE MD . . 5.280 3.767 3.493 3.941 . 0 0 "[ . 1 . 2]" 1
847 1 28 ILE MD 1 30 VAL H . . 5.500 4.070 2.925 5.259 . 0 0 "[ . 1 . 2]" 1
848 1 29 LYS HA 1 49 VAL QG . . 3.840 2.506 2.048 3.053 . 0 0 "[ . 1 . 2]" 1
849 1 29 LYS HA 1 29 LYS HG3 . . 4.090 2.685 2.323 3.518 . 0 0 "[ . 1 . 2]" 1
850 1 29 LYS HA 1 29 LYS HG2 . . 4.090 2.595 2.126 3.069 . 0 0 "[ . 1 . 2]" 1
851 1 29 LYS HB3 1 101 VAL MG2 . . 4.630 2.247 1.981 3.216 . 0 0 "[ . 1 . 2]" 1
852 1 29 LYS HB3 1 101 VAL HA . . 4.010 2.794 2.315 3.790 . 0 0 "[ . 1 . 2]" 1
853 1 81 GLU H 1 81 GLU HG2 . . 4.420 3.058 2.591 4.315 . 0 0 "[ . 1 . 2]" 1
854 1 29 LYS HB2 1 49 VAL QG . . 4.190 3.161 2.579 4.210 0.020 4 0 "[ . 1 . 2]" 1
855 1 29 LYS HB2 1 29 LYS QE . . 5.090 3.403 2.287 4.305 . 0 0 "[ . 1 . 2]" 1
856 1 29 LYS HB2 1 101 VAL HA . . 4.040 3.325 2.247 3.829 . 0 0 "[ . 1 . 2]" 1
857 1 29 LYS HB2 1 30 VAL H . . 4.590 4.409 3.956 4.521 . 0 0 "[ . 1 . 2]" 1
858 1 29 LYS HG2 1 49 VAL HA . . 4.930 4.291 3.219 4.889 . 0 0 "[ . 1 . 2]" 1
859 1 29 LYS H 1 29 LYS HG2 . . 5.050 4.525 3.981 4.670 . 0 0 "[ . 1 . 2]" 1
860 1 29 LYS HG3 1 30 VAL H . . 4.770 4.002 3.192 4.785 0.015 19 0 "[ . 1 . 2]" 1
861 1 29 LYS H 1 29 LYS HG3 . . 5.050 4.407 3.425 4.766 . 0 0 "[ . 1 . 2]" 1
862 1 29 LYS HG3 1 49 VAL HA . . 4.930 4.055 3.345 4.905 . 0 0 "[ . 1 . 2]" 1
863 1 29 LYS QD 1 49 VAL QG . . 4.100 3.437 2.824 3.763 . 0 0 "[ . 1 . 2]" 1
864 1 29 LYS QD 1 101 VAL MG2 . . 4.720 2.947 2.292 3.839 . 0 0 "[ . 1 . 2]" 1
865 1 29 LYS QD 1 47 GLY HA3 . . 5.420 3.976 3.249 4.679 . 0 0 "[ . 1 . 2]" 1
866 1 29 LYS QD 1 47 GLY HA2 . . 5.420 4.882 3.322 5.446 0.026 4 0 "[ . 1 . 2]" 1
867 1 29 LYS QD 1 101 VAL HA . . 5.500 4.507 4.111 4.951 . 0 0 "[ . 1 . 2]" 1
868 1 29 LYS H 1 29 LYS QD . . 4.860 4.638 4.240 4.884 0.024 20 0 "[ . 1 . 2]" 1
869 1 30 VAL HB 1 50 PHE QE . . 4.660 3.287 2.584 4.101 . 0 0 "[ . 1 . 2]" 1
870 1 32 VAL HA 1 104 LEU HB2 . . 3.960 3.607 3.019 3.879 . 0 0 "[ . 1 . 2]" 1
871 1 32 VAL HA 1 33 PRO HG3 . . 5.010 4.331 4.316 4.375 . 0 0 "[ . 1 . 2]" 1
872 1 32 VAL MG1 1 45 GLY H . . 4.040 3.822 3.430 4.052 0.012 12 0 "[ . 1 . 2]" 1
873 1 32 VAL MG2 1 33 PRO HD2 . . 4.810 3.767 3.683 3.919 . 0 0 "[ . 1 . 2]" 1
874 1 32 VAL MG2 1 33 PRO HD3 . . 4.810 4.345 4.301 4.424 . 0 0 "[ . 1 . 2]" 1
875 1 32 VAL MG2 1 46 GLN QB . . 4.670 4.198 3.758 4.544 . 0 0 "[ . 1 . 2]" 1
876 1 53 PRO HB2 1 55 THR MG . . 4.170 2.721 2.421 3.028 . 0 0 "[ . 1 . 2]" 1
877 1 32 VAL HA 1 33 PRO HG2 . . 5.010 4.150 4.116 4.204 . 0 0 "[ . 1 . 2]" 1
878 1 34 ASN HB2 1 45 GLY HA3 . . 4.420 2.836 2.201 3.963 . 0 0 "[ . 1 . 2]" 1
879 1 34 ASN HB2 1 45 GLY HA2 . . 4.420 3.303 2.752 4.405 . 0 0 "[ . 1 . 2]" 1
880 1 34 ASN HB3 1 45 GLY HA3 . . 4.420 3.880 2.784 4.255 . 0 0 "[ . 1 . 2]" 1
881 1 34 ASN HB3 1 45 GLY HA2 . . 4.420 4.097 3.096 4.428 0.008 6 0 "[ . 1 . 2]" 1
882 1 35 MET HB3 1 43 LEU MD1 . . 4.030 3.285 2.970 3.660 . 0 0 "[ . 1 . 2]" 1
883 1 36 GLN HA 1 38 LYS H . . 5.500 3.988 3.303 5.051 . 0 0 "[ . 1 . 2]" 1
884 1 36 GLN HB2 1 37 ASP H . . 4.480 3.906 2.510 4.453 . 0 0 "[ . 1 . 2]" 1
885 1 36 GLN HB3 1 37 ASP H . . 4.480 3.481 2.669 4.124 . 0 0 "[ . 1 . 2]" 1
886 1 36 GLN QG 1 37 ASP H . . 4.930 3.549 1.997 4.733 . 0 0 "[ . 1 . 2]" 1
887 1 38 LYS H 1 39 THR HB . . 5.300 4.774 3.809 5.404 0.104 4 0 "[ . 1 . 2]" 1
888 1 39 THR HB 1 41 TRP HE3 . . 5.500 4.426 3.031 5.170 . 0 0 "[ . 1 . 2]" 1
889 1 39 THR HB 1 41 TRP H . . 4.780 4.359 3.155 4.635 . 0 0 "[ . 1 . 2]" 1
890 1 39 THR HB 1 40 GLU H . . 3.930 3.676 3.058 3.948 0.018 8 0 "[ . 1 . 2]" 1
891 1 40 GLU HB2 1 41 TRP HD1 . . 4.330 4.274 4.154 4.336 0.006 16 0 "[ . 1 . 2]" 1
892 1 40 GLU H 1 40 GLU HB2 . . 4.130 3.651 3.623 3.722 . 0 0 "[ . 1 . 2]" 1
893 1 102 ILE H 1 102 ILE HG13 . . 4.330 3.820 3.647 3.994 . 0 0 "[ . 1 . 2]" 1
894 1 42 LYS HB3 1 69 THR MG . . 4.230 2.885 2.413 3.220 . 0 0 "[ . 1 . 2]" 1
895 1 42 LYS HA 1 42 LYS QD . . 4.840 3.109 2.148 4.179 . 0 0 "[ . 1 . 2]" 1
896 1 42 LYS QD 1 69 THR HA . . 4.450 3.340 1.987 4.407 . 0 0 "[ . 1 . 2]" 1
897 1 64 LYS HB3 1 64 LYS HD3 . . 4.230 2.864 2.062 3.649 . 0 0 "[ . 1 . 2]" 1
898 1 35 MET HG2 1 43 LEU MD1 . . 4.510 2.524 1.978 3.917 . 0 0 "[ . 1 . 2]" 1
899 1 41 TRP HB2 1 43 LEU MD1 . . 4.120 2.384 1.980 2.901 . 0 0 "[ . 1 . 2]" 1
900 1 41 TRP HZ3 1 43 LEU MD1 . . 4.550 3.619 3.205 3.857 . 0 0 "[ . 1 . 2]" 1
901 1 41 TRP H 1 43 LEU MD1 . . 5.080 4.375 3.891 4.845 . 0 0 "[ . 1 . 2]" 1
902 1 64 LYS H 1 64 LYS HD3 . . 5.390 4.191 3.811 4.709 . 0 0 "[ . 1 . 2]" 1
903 1 41 TRP HB3 1 43 LEU MD2 . . 4.240 3.403 2.966 4.137 . 0 0 "[ . 1 . 2]" 1
904 1 41 TRP HB2 1 43 LEU MD2 . . 4.590 3.857 3.022 4.114 . 0 0 "[ . 1 . 2]" 1
905 1 33 PRO HD3 1 43 LEU MD2 . . 4.140 4.066 3.594 4.186 0.046 18 0 "[ . 1 . 2]" 1
906 1 41 TRP HE3 1 43 LEU MD2 . . 4.300 4.057 3.313 4.308 0.008 18 0 "[ . 1 . 2]" 1
907 1 34 ASN HA 1 44 ASN HA . . 4.050 2.798 2.426 3.144 . 0 0 "[ . 1 . 2]" 1
908 1 48 LEU HB2 1 50 PHE QE . . 4.620 2.909 2.528 3.336 . 0 0 "[ . 1 . 2]" 1
909 1 30 VAL H 1 48 LEU HB2 . . 4.710 3.611 3.125 3.928 . 0 0 "[ . 1 . 2]" 1
910 1 48 LEU HB3 1 50 PHE QE . . 4.530 2.843 2.263 3.349 . 0 0 "[ . 1 . 2]" 1
911 1 32 VAL HA 1 104 LEU HB3 . . 3.960 2.892 2.045 3.362 . 0 0 "[ . 1 . 2]" 1
912 1 32 VAL HB 1 48 LEU MD1 . . 5.500 4.580 4.165 4.927 . 0 0 "[ . 1 . 2]" 1
913 1 48 LEU MD1 1 65 ILE HA . . 4.350 3.172 2.615 3.550 . 0 0 "[ . 1 . 2]" 1
914 1 48 LEU HA 1 48 LEU MD1 . . 4.580 3.896 3.871 3.947 . 0 0 "[ . 1 . 2]" 1
915 1 48 LEU MD1 1 50 PHE QE . . 4.230 3.096 2.733 3.375 . 0 0 "[ . 1 . 2]" 1
916 1 48 LEU MD2 1 50 PHE QE . . 5.060 3.915 3.605 4.410 . 0 0 "[ . 1 . 2]" 1
917 1 48 LEU MD2 1 50 PHE HZ . . 5.360 3.487 2.670 4.123 . 0 0 "[ . 1 . 2]" 1
918 1 29 LYS HG2 1 49 VAL QG . . 3.520 2.718 1.901 3.403 . 0 0 "[ . 1 . 2]" 1
919 1 29 LYS HG3 1 49 VAL QG . . 3.520 2.035 1.767 2.810 . 0 0 "[ . 1 . 2]" 1
920 1 49 VAL QG 1 50 PHE QD . . 5.260 4.359 4.247 4.493 . 0 0 "[ . 1 . 2]" 1
921 1 30 VAL MG1 1 50 PHE QE . . 5.430 3.649 3.130 4.571 . 0 0 "[ . 1 . 2]" 1
922 1 28 ILE H 1 49 VAL QG . . 4.430 3.478 2.859 4.296 . 0 0 "[ . 1 . 2]" 1
923 1 30 VAL H 1 49 VAL QG . . 5.000 3.492 2.930 4.089 . 0 0 "[ . 1 . 2]" 1
924 1 50 PHE HB2 1 52 LEU MD2 . . 4.370 4.149 3.092 4.375 0.005 10 0 "[ . 1 . 2]" 1
925 1 50 PHE HB2 1 64 LYS HG3 . . 5.070 4.231 3.683 4.755 . 0 0 "[ . 1 . 2]" 1
926 1 50 PHE HB3 1 64 LYS HG3 . . 5.070 3.964 3.292 4.767 . 0 0 "[ . 1 . 2]" 1
927 1 50 PHE HB2 1 52 LEU HG . . 4.460 3.801 3.344 4.477 0.017 4 0 "[ . 1 . 2]" 1
928 1 50 PHE HB3 1 52 LEU MD1 . . 4.370 2.804 1.935 4.281 . 0 0 "[ . 1 . 2]" 1
929 1 56 ASP HB2 1 91 LEU MD1 . . 4.660 4.249 3.746 4.691 0.031 1 0 "[ . 1 . 2]" 1
930 1 56 ASP HB2 1 60 VAL MG2 . . 4.510 2.510 2.160 3.431 . 0 0 "[ . 1 . 2]" 1
931 1 56 ASP H 1 56 ASP HB2 . . 4.160 2.277 2.196 2.432 . 0 0 "[ . 1 . 2]" 1
932 1 56 ASP H 1 56 ASP HB3 . . 4.160 3.504 2.868 3.650 . 0 0 "[ . 1 . 2]" 1
933 1 57 GLN HB3 1 58 VAL MG2 . . 4.980 3.762 3.540 4.029 . 0 0 "[ . 1 . 2]" 1
934 1 57 GLN HB2 1 58 VAL MG2 . . 5.120 4.969 4.798 5.119 . 0 0 "[ . 1 . 2]" 1
935 1 57 GLN HA 1 57 GLN HG2 . . 4.050 2.768 2.434 3.539 . 0 0 "[ . 1 . 2]" 1
936 1 57 GLN HG2 1 58 VAL H . . 5.340 3.947 3.615 4.658 . 0 0 "[ . 1 . 2]" 1
937 1 57 GLN HA 1 57 GLN HG3 . . 4.050 2.881 2.365 3.776 . 0 0 "[ . 1 . 2]" 1
938 1 57 GLN HG3 1 58 VAL H . . 5.340 4.542 4.055 4.844 . 0 0 "[ . 1 . 2]" 1
939 1 58 VAL HA 1 61 ILE HG12 . . 5.040 3.989 2.053 4.840 . 0 0 "[ . 1 . 2]" 1
940 1 58 VAL HA 1 61 ILE HB . . 5.070 3.346 2.870 3.764 . 0 0 "[ . 1 . 2]" 1
941 1 58 VAL HA 1 91 LEU HG . . 5.250 2.913 2.401 3.454 . 0 0 "[ . 1 . 2]" 1
942 1 58 VAL HA 1 61 ILE H . . 4.270 3.369 3.144 3.696 . 0 0 "[ . 1 . 2]" 1
943 1 58 VAL HA 1 60 VAL H . . 4.770 4.020 3.360 4.400 . 0 0 "[ . 1 . 2]" 1
944 1 58 VAL MG1 1 86 LYS H . . 5.080 4.486 3.989 4.872 . 0 0 "[ . 1 . 2]" 1
945 1 58 VAL MG1 1 87 ASP H . . 5.380 4.251 3.630 4.899 . 0 0 "[ . 1 . 2]" 1
946 1 50 PHE HZ 1 65 ILE HA . . 4.290 3.808 3.137 4.240 . 0 0 "[ . 1 . 2]" 1
947 1 76 GLN HG3 1 78 LEU MD2 . . 4.100 3.590 3.150 4.085 . 0 0 "[ . 1 . 2]" 1
948 1 57 GLN HB2 1 60 VAL MG1 . . 4.480 4.282 3.651 4.485 0.005 4 0 "[ . 1 . 2]" 1
949 1 56 ASP H 1 60 VAL MG2 . . 4.800 3.779 3.378 4.085 . 0 0 "[ . 1 . 2]" 1
950 1 60 VAL MG2 1 61 ILE H . . 4.030 2.170 1.850 2.339 . 0 0 "[ . 1 . 2]" 1
951 1 61 ILE MG 1 62 LYS HA . . 4.800 3.545 3.183 3.882 . 0 0 "[ . 1 . 2]" 1
952 1 61 ILE MG 1 64 LYS H . . 5.220 4.592 4.199 4.890 . 0 0 "[ . 1 . 2]" 1
953 1 61 ILE MG 1 65 ILE H . . 4.970 4.399 3.936 4.634 . 0 0 "[ . 1 . 2]" 1
954 1 80 TYR HB3 1 102 ILE MD . . 4.550 3.257 3.061 3.512 . 0 0 "[ . 1 . 2]" 1
955 1 61 ILE HA 1 61 ILE MD . . 4.210 3.458 1.976 3.891 . 0 0 "[ . 1 . 2]" 1
956 1 102 ILE HA 1 102 ILE MD . . 4.180 2.053 1.967 2.202 . 0 0 "[ . 1 . 2]" 1
957 1 80 TYR QD 1 102 ILE MD . . 4.090 2.868 2.112 3.219 . 0 0 "[ . 1 . 2]" 1
958 1 61 ILE H 1 61 ILE MD . . 4.120 2.955 1.875 3.709 . 0 0 "[ . 1 . 2]" 1
959 1 58 VAL MG1 1 62 LYS QD . . 5.210 3.841 3.242 4.508 . 0 0 "[ . 1 . 2]" 1
960 1 62 LYS QD 1 78 LEU MD1 . . 5.490 3.504 2.048 3.996 . 0 0 "[ . 1 . 2]" 1
961 1 62 LYS HB2 1 62 LYS QD . . 3.830 2.632 2.182 3.270 . 0 0 "[ . 1 . 2]" 1
962 1 59 SER HA 1 62 LYS QD . . 4.800 3.323 2.473 4.711 . 0 0 "[ . 1 . 2]" 1
963 1 62 LYS HE2 1 78 LEU HB2 . . 4.130 3.884 2.980 4.137 0.007 9 0 "[ . 1 . 2]" 1
964 1 63 VAL HA 1 73 ALA MB . . 4.660 3.235 2.489 4.320 . 0 0 "[ . 1 . 2]" 1
965 1 63 VAL HA 1 67 GLU H . . 4.900 4.429 4.051 4.698 . 0 0 "[ . 1 . 2]" 1
966 1 50 PHE QD 1 64 LYS HB3 . . 4.660 3.804 3.291 4.172 . 0 0 "[ . 1 . 2]" 1
967 1 62 LYS HA 1 65 ILE HB . . 3.950 3.357 2.952 3.587 . 0 0 "[ . 1 . 2]" 1
968 1 65 ILE HB 1 76 GLN HE21 . . 4.410 3.378 2.736 3.728 . 0 0 "[ . 1 . 2]" 1
969 1 65 ILE HB 1 76 GLN HE22 . . 4.410 1.962 1.896 2.200 . 0 0 "[ . 1 . 2]" 1
970 1 50 PHE QE 1 65 ILE HG12 . . 4.810 3.581 3.004 3.912 . 0 0 "[ . 1 . 2]" 1
971 1 66 HIS HA 1 69 THR HG1 . . 3.980 3.129 2.889 3.383 . 0 0 "[ . 1 . 2]" 1
972 1 63 VAL HA 1 66 HIS HB2 . . 4.220 4.059 3.777 4.226 0.006 8 0 "[ . 1 . 2]" 1
973 1 66 HIS HB2 1 76 GLN HE21 . . 5.050 4.399 3.877 4.715 . 0 0 "[ . 1 . 2]" 1
974 1 67 GLU HA 1 67 GLU HG2 . . 4.220 2.605 2.457 2.954 . 0 0 "[ . 1 . 2]" 1
975 1 64 LYS HA 1 67 GLU HG3 . . 5.010 3.803 3.140 4.353 . 0 0 "[ . 1 . 2]" 1
976 1 50 PHE HZ 1 68 ALA MB . . 4.040 3.483 2.824 3.900 . 0 0 "[ . 1 . 2]" 1
977 1 50 PHE QE 1 68 ALA MB . . 4.200 3.810 3.088 4.201 0.001 1 0 "[ . 1 . 2]" 1
978 1 42 LYS HB3 1 69 THR HB . . 4.180 3.690 3.465 3.963 . 0 0 "[ . 1 . 2]" 1
979 1 41 TRP HB3 1 69 THR HB . . 4.480 3.953 3.305 4.374 . 0 0 "[ . 1 . 2]" 1
980 1 69 THR HB 1 71 MET H . . 4.470 3.137 2.626 3.526 . 0 0 "[ . 1 . 2]" 1
981 1 42 LYS HB2 1 69 THR MG . . 4.230 2.290 1.936 2.637 . 0 0 "[ . 1 . 2]" 1
982 1 69 THR HA 1 69 THR MG . . 3.500 2.320 2.270 2.381 . 0 0 "[ . 1 . 2]" 1
983 1 46 GLN HE22 1 69 THR MG . . 3.680 3.075 2.052 3.619 . 0 0 "[ . 1 . 2]" 1
984 1 46 GLN HE21 1 69 THR MG . . 3.680 2.878 2.219 3.263 . 0 0 "[ . 1 . 2]" 1
985 1 69 THR MG 1 70 GLY H . . 4.010 3.810 3.745 3.907 . 0 0 "[ . 1 . 2]" 1
986 1 66 HIS HB2 1 72 PRO HA . . 4.590 3.378 3.062 3.918 . 0 0 "[ . 1 . 2]" 1
987 1 72 PRO HB2 1 73 ALA H . . 4.100 2.915 2.721 3.116 . 0 0 "[ . 1 . 2]" 1
988 1 71 MET HG3 1 72 PRO HD2 . . 4.840 2.135 1.990 2.527 . 0 0 "[ . 1 . 2]" 1
989 1 71 MET HG3 1 72 PRO HD3 . . 4.840 3.575 3.383 3.929 . 0 0 "[ . 1 . 2]" 1
990 1 71 MET HG2 1 72 PRO HD3 . . 4.220 4.010 3.821 4.203 . 0 0 "[ . 1 . 2]" 1
991 1 62 LYS QD 1 73 ALA HA . . 4.140 3.169 2.371 3.852 . 0 0 "[ . 1 . 2]" 1
992 1 73 ALA HA 1 76 GLN QB . . 4.830 4.743 4.392 4.837 0.007 18 0 "[ . 1 . 2]" 1
993 1 62 LYS HB2 1 73 ALA HA . . 4.380 4.258 3.975 4.388 0.008 12 0 "[ . 1 . 2]" 1
994 1 73 ALA HA 1 76 GLN HG3 . . 4.560 3.851 3.360 4.355 . 0 0 "[ . 1 . 2]" 1
995 1 73 ALA HA 1 76 GLN HG2 . . 4.320 2.969 2.789 3.222 . 0 0 "[ . 1 . 2]" 1
996 1 62 LYS HA 1 73 ALA HA . . 4.780 4.565 4.145 4.783 0.003 14 0 "[ . 1 . 2]" 1
997 1 73 ALA HA 1 76 GLN HE21 . . 4.130 2.293 1.898 3.468 . 0 0 "[ . 1 . 2]" 1
998 1 73 ALA HA 1 76 GLN HE22 . . 4.130 3.280 2.680 3.902 . 0 0 "[ . 1 . 2]" 1
999 1 73 ALA HA 1 76 GLN H . . 5.000 4.633 4.283 4.951 . 0 0 "[ . 1 . 2]" 1
1000 1 62 LYS HB2 1 73 ALA MB . . 4.000 2.685 2.369 3.077 . 0 0 "[ . 1 . 2]" 1
1001 1 72 PRO HA 1 73 ALA MB . . 4.020 3.953 3.914 4.006 . 0 0 "[ . 1 . 2]" 1
1002 1 62 LYS HA 1 73 ALA MB . . 4.540 4.024 3.502 4.475 . 0 0 "[ . 1 . 2]" 1
1003 1 73 ALA MB 1 76 GLN HE21 . . 5.180 3.555 3.103 4.764 . 0 0 "[ . 1 . 2]" 1
1004 1 73 ALA MB 1 76 GLN HE22 . . 5.180 4.009 3.457 4.534 . 0 0 "[ . 1 . 2]" 1
1005 1 76 GLN HA 1 76 GLN HG3 . . 4.080 3.741 3.588 3.957 . 0 0 "[ . 1 . 2]" 1
1006 1 76 GLN HA 1 106 LEU HA . . 4.550 3.156 2.204 4.099 . 0 0 "[ . 1 . 2]" 1
1007 1 77 LYS HB3 1 107 LYS HA . . 4.980 4.487 3.825 4.984 0.004 15 0 "[ . 1 . 2]" 1
1008 1 77 LYS HB2 1 107 LYS HA . . 4.650 3.450 2.618 3.788 . 0 0 "[ . 1 . 2]" 1
1009 1 77 LYS HB2 1 107 LYS H . . 5.450 3.721 3.085 4.604 . 0 0 "[ . 1 . 2]" 1
1010 1 77 LYS QD 1 107 LYS HA . . 4.150 3.629 2.973 4.163 0.013 6 0 "[ . 1 . 2]" 1
1011 1 77 LYS HA 1 77 LYS QD . . 4.430 3.824 2.427 4.154 . 0 0 "[ . 1 . 2]" 1
1012 1 77 LYS QD 1 84 PHE QD . . 4.400 2.879 1.938 3.926 . 0 0 "[ . 1 . 2]" 1
1013 1 77 LYS H 1 77 LYS QD . . 5.180 4.743 4.350 5.211 0.031 18 0 "[ . 1 . 2]" 1
1014 1 77 LYS QD 1 108 GLU H . . 5.500 4.765 3.680 5.500 0.000 20 0 "[ . 1 . 2]" 1
1015 1 77 LYS HB3 1 77 LYS HE2 . . 4.890 3.206 2.359 4.604 . 0 0 "[ . 1 . 2]" 1
1016 1 77 LYS HB2 1 77 LYS HE2 . . 4.460 3.047 1.999 4.159 . 0 0 "[ . 1 . 2]" 1
1017 1 77 LYS HE2 1 84 PHE QD . . 4.680 3.996 2.041 4.696 0.016 1 0 "[ . 1 . 2]" 1
1018 1 78 LEU HB2 1 79 GLN H . . 5.170 4.195 3.802 4.437 . 0 0 "[ . 1 . 2]" 1
1019 1 79 GLN HA 1 79 GLN HG2 . . 4.180 2.772 2.567 3.137 . 0 0 "[ . 1 . 2]" 1
1020 1 79 GLN HB3 1 103 HIS HB3 . . 3.970 3.778 3.488 3.961 . 0 0 "[ . 1 . 2]" 1
1021 1 79 GLN HB3 1 103 HIS HB2 . . 3.970 2.377 2.009 2.950 . 0 0 "[ . 1 . 2]" 1
1022 1 80 TYR HA 1 102 ILE HA . . 4.490 3.229 2.324 3.646 . 0 0 "[ . 1 . 2]" 1
1023 1 80 TYR HB2 1 85 ILE MG . . 4.120 3.317 2.744 3.801 . 0 0 "[ . 1 . 2]" 1
1024 1 80 TYR HB2 1 102 ILE MD . . 4.270 1.938 1.833 2.117 . 0 0 "[ . 1 . 2]" 1
1025 1 80 TYR HB2 1 102 ILE MG . . 4.370 3.494 3.258 3.717 . 0 0 "[ . 1 . 2]" 1
1026 1 81 GLU HB2 1 82 GLY H . . 4.580 4.288 4.072 4.480 . 0 0 "[ . 1 . 2]" 1
1027 1 80 TYR QE 1 81 GLU HG2 . . 4.630 3.000 2.423 4.450 . 0 0 "[ . 1 . 2]" 1
1028 1 81 GLU H 1 81 GLU HG3 . . 4.420 4.095 2.905 4.425 0.005 14 0 "[ . 1 . 2]" 1
1029 1 83 ILE HB 1 85 ILE MG . . 4.070 2.966 2.562 3.503 . 0 0 "[ . 1 . 2]" 1
1030 1 80 TYR QD 1 83 ILE HB . . 4.670 3.362 2.850 4.020 . 0 0 "[ . 1 . 2]" 1
1031 1 80 TYR H 1 83 ILE HB . . 4.370 3.172 2.904 3.504 . 0 0 "[ . 1 . 2]" 1
1032 1 84 PHE HA 1 85 ILE MG . . 4.850 4.400 4.137 4.635 . 0 0 "[ . 1 . 2]" 1
1033 1 84 PHE HA 1 85 ILE HG12 . . 4.660 4.055 3.854 4.301 . 0 0 "[ . 1 . 2]" 1
1034 1 84 PHE HA 1 85 ILE HG13 . . 5.500 4.468 4.008 4.870 . 0 0 "[ . 1 . 2]" 1
1035 1 59 SER H 1 59 SER HB2 . . 3.750 3.390 2.491 3.607 . 0 0 "[ . 1 . 2]" 1
1036 1 85 ILE H 1 85 ILE HB . . 4.130 3.621 3.567 3.653 . 0 0 "[ . 1 . 2]" 1
1037 1 78 LEU HB2 1 85 ILE MD . . 3.960 2.617 2.029 3.615 . 0 0 "[ . 1 . 2]" 1
1038 1 80 TYR HB3 1 85 ILE MD . . 4.300 3.025 2.357 3.540 . 0 0 "[ . 1 . 2]" 1
1039 1 80 TYR HB2 1 85 ILE MD . . 4.270 2.793 2.265 3.199 . 0 0 "[ . 1 . 2]" 1
1040 1 79 GLN HA 1 85 ILE MD . . 5.210 4.273 3.219 5.032 . 0 0 "[ . 1 . 2]" 1
1041 1 80 TYR HA 1 85 ILE MD . . 5.500 4.495 3.765 5.026 . 0 0 "[ . 1 . 2]" 1
1042 1 85 ILE H 1 85 ILE MD . . 4.030 3.755 3.572 3.968 . 0 0 "[ . 1 . 2]" 1
1043 1 86 LYS H 1 86 LYS HB2 . . 4.060 2.560 2.203 3.825 . 0 0 "[ . 1 . 2]" 1
1044 1 86 LYS HG3 1 87 ASP H . . 5.090 3.920 3.112 4.403 . 0 0 "[ . 1 . 2]" 1
1045 1 57 GLN HB3 1 88 SER HA . . 5.370 4.562 4.106 5.191 . 0 0 "[ . 1 . 2]" 1
1046 1 58 VAL MG2 1 91 LEU HA . . 4.250 3.130 2.707 3.482 . 0 0 "[ . 1 . 2]" 1
1047 1 91 LEU HA 1 94 TYR QD . . 4.570 2.555 2.049 3.824 . 0 0 "[ . 1 . 2]" 1
1048 1 58 VAL HA 1 91 LEU MD2 . . 4.160 3.029 2.420 3.739 . 0 0 "[ . 1 . 2]" 1
1049 1 92 ALA HA 1 96 MET H . . 4.640 3.890 3.315 4.251 . 0 0 "[ . 1 . 2]" 1
1050 1 18 PHE QD 1 92 ALA HA . . 3.810 2.978 2.028 3.746 . 0 0 "[ . 1 . 2]" 1
1051 1 18 PHE HZ 1 92 ALA HA . . 4.410 3.509 2.796 4.246 . 0 0 "[ . 1 . 2]" 1
1052 1 93 TYR HA 1 93 TYR QD . . 4.230 3.052 2.549 3.216 . 0 0 "[ . 1 . 2]" 1
1053 1 15 GLU H 1 93 TYR HA . . 4.880 4.704 4.063 4.891 0.011 19 0 "[ . 1 . 2]" 1
1054 1 15 GLU QB 1 93 TYR HB2 . . 4.220 3.787 3.217 4.191 . 0 0 "[ . 1 . 2]" 1
1055 1 94 TYR HA 1 94 TYR QD . . 3.570 2.335 2.082 2.991 . 0 0 "[ . 1 . 2]" 1
1056 1 94 TYR HB2 1 96 MET HG3 . . 4.070 2.554 2.296 2.974 . 0 0 "[ . 1 . 2]" 1
1057 1 80 TYR QE 1 94 TYR HB3 . . 4.350 2.929 2.636 3.246 . 0 0 "[ . 1 . 2]" 1
1058 1 96 MET HA 1 97 ALA MB . . 4.390 3.853 3.790 3.967 . 0 0 "[ . 1 . 2]" 1
1059 1 100 ALA HA 1 101 VAL MG1 . . 4.520 3.707 3.503 3.911 . 0 0 "[ . 1 . 2]" 1
1060 1 80 TYR QE 1 100 ALA HA . . 4.290 4.158 3.894 4.296 0.006 19 0 "[ . 1 . 2]" 1
1061 1 100 ALA MB 1 102 ILE HA . . 5.150 5.003 4.878 5.145 . 0 0 "[ . 1 . 2]" 1
1062 1 29 LYS H 1 100 ALA MB . . 4.930 3.881 3.599 4.116 . 0 0 "[ . 1 . 2]" 1
1063 1 102 ILE H 1 102 ILE HG12 . . 4.330 2.457 2.229 2.602 . 0 0 "[ . 1 . 2]" 1
1064 1 30 VAL HA 1 102 ILE MG . . 4.660 3.758 3.468 3.999 . 0 0 "[ . 1 . 2]" 1
1065 1 102 ILE MG 1 104 LEU HA . . 5.080 3.885 3.787 3.985 . 0 0 "[ . 1 . 2]" 1
1066 1 79 GLN HA 1 102 ILE MG . . 5.500 4.333 3.902 4.665 . 0 0 "[ . 1 . 2]" 1
1067 1 80 TYR HA 1 102 ILE MG . . 5.500 4.076 3.294 4.589 . 0 0 "[ . 1 . 2]" 1
1068 1 78 LEU HA 1 102 ILE MG . . 4.340 2.913 2.667 3.358 . 0 0 "[ . 1 . 2]" 1
1069 1 77 LYS HE3 1 105 ALA MB . . 4.880 4.335 2.989 4.878 . 0 0 "[ . 1 . 2]" 1
1070 1 77 LYS HE2 1 105 ALA MB . . 4.880 4.138 3.002 4.852 . 0 0 "[ . 1 . 2]" 1
1071 1 84 PHE QD 1 105 ALA MB . . 5.400 4.810 3.732 5.417 0.017 17 0 "[ . 1 . 2]" 1
1072 1 104 LEU HA 1 105 ALA MB . . 4.830 3.882 3.819 3.924 . 0 0 "[ . 1 . 2]" 1
1073 1 106 LEU HG 1 107 LYS H . . 4.890 4.026 3.031 4.881 . 0 0 "[ . 1 . 2]" 1
1074 1 12 LEU HA 1 12 LEU HG . . 3.870 2.698 2.530 2.875 . 0 0 "[ . 1 . 2]" 1
1075 1 13 MET H 1 13 MET HG2 . . 4.620 4.155 3.045 4.642 0.022 14 0 "[ . 1 . 2]" 1
1076 1 13 MET HB3 1 14 PRO HD3 . . 5.070 3.967 3.416 4.969 . 0 0 "[ . 1 . 2]" 1
1077 1 13 MET HB2 1 14 PRO HD2 . . 5.070 3.448 1.937 3.905 . 0 0 "[ . 1 . 2]" 1
1078 1 94 TYR QD 1 96 MET HG3 . . 4.720 3.985 3.667 4.531 . 0 0 "[ . 1 . 2]" 1
1079 1 14 PRO HB3 1 17 GLU H . . 5.090 4.724 4.306 5.101 0.011 9 0 "[ . 1 . 2]" 1
1080 1 13 MET HA 1 14 PRO HG2 . . 4.800 4.541 4.363 4.704 . 0 0 "[ . 1 . 2]" 1
1081 1 15 GLU QB 1 92 ALA MB . . 4.620 3.512 3.297 3.787 . 0 0 "[ . 1 . 2]" 1
1082 1 15 GLU QB 1 19 LEU MD1 . . 4.620 4.311 3.451 4.635 0.015 5 0 "[ . 1 . 2]" 1
1083 1 16 GLU HA 1 19 LEU HB2 . . 4.360 3.925 3.544 4.244 . 0 0 "[ . 1 . 2]" 1
1084 1 16 GLU HA 1 16 GLU HG2 . . 3.980 3.046 2.233 3.900 . 0 0 "[ . 1 . 2]" 1
1085 1 16 GLU HA 1 19 LEU H . . 4.420 4.202 3.995 4.389 . 0 0 "[ . 1 . 2]" 1
1086 1 18 PHE HA 1 21 ARG HB2 . . 5.000 2.871 2.534 4.999 . 0 0 "[ . 1 . 2]" 1
1087 1 19 LEU H 1 19 LEU HB3 . . 3.960 3.588 3.583 3.596 . 0 0 "[ . 1 . 2]" 1
1088 1 19 LEU HA 1 19 LEU MD1 . . 4.170 3.890 3.822 3.941 . 0 0 "[ . 1 . 2]" 1
1089 1 19 LEU H 1 19 LEU MD2 . . 4.510 3.096 2.829 3.288 . 0 0 "[ . 1 . 2]" 1
1090 1 50 PHE QD 1 64 LYS HG3 . . 4.540 4.104 3.469 4.539 . 0 0 "[ . 1 . 2]" 1
1091 1 17 GLU HA 1 20 ARG HB2 . . 3.820 2.925 2.739 3.165 . 0 0 "[ . 1 . 2]" 1
1092 1 17 GLU HA 1 20 ARG HG2 . . 4.460 3.682 2.380 4.458 . 0 0 "[ . 1 . 2]" 1
1093 1 23 LYS H 1 23 LYS HB2 . . 4.100 2.868 2.262 3.993 . 0 0 "[ . 1 . 2]" 1
1094 1 29 LYS HA 1 50 PHE H . . 4.280 4.019 3.637 4.262 . 0 0 "[ . 1 . 2]" 1
1095 1 29 LYS HA 1 29 LYS QD . . 5.140 3.984 3.362 4.143 . 0 0 "[ . 1 . 2]" 1
1096 1 30 VAL HB 1 48 LEU HB3 . . 4.020 3.747 3.571 4.003 . 0 0 "[ . 1 . 2]" 1
1097 1 31 GLN HG2 1 32 VAL H . . 5.500 4.447 3.641 5.334 . 0 0 "[ . 1 . 2]" 1
1098 1 31 GLN H 1 31 GLN HG2 . . 5.500 4.415 4.269 4.620 . 0 0 "[ . 1 . 2]" 1
1099 1 31 GLN H 1 31 GLN HG3 . . 5.500 4.568 3.902 4.658 . 0 0 "[ . 1 . 2]" 1
1100 1 35 MET HB2 1 36 GLN H . . 5.500 4.571 4.513 4.599 . 0 0 "[ . 1 . 2]" 1
1101 1 32 VAL HA 1 104 LEU HG . . 4.770 4.595 3.501 4.793 0.023 19 0 "[ . 1 . 2]" 1
1102 1 32 VAL MG1 1 43 LEU HG . . 4.260 3.859 3.657 4.224 . 0 0 "[ . 1 . 2]" 1
1103 1 32 VAL MG1 1 46 GLN QB . . 5.140 4.282 4.009 4.771 . 0 0 "[ . 1 . 2]" 1
1104 1 32 VAL MG2 1 48 LEU H . . 4.540 2.911 2.532 3.537 . 0 0 "[ . 1 . 2]" 1
1105 1 33 PRO HD2 1 104 LEU HG . . 4.780 3.803 3.316 4.620 . 0 0 "[ . 1 . 2]" 1
1106 1 32 VAL MG1 1 33 PRO HD2 . . 3.970 2.424 2.043 2.651 . 0 0 "[ . 1 . 2]" 1
1107 1 37 ASP QB 1 38 LYS H . . 4.570 3.007 1.904 4.043 . 0 0 "[ . 1 . 2]" 1
1108 1 35 MET HB2 1 39 THR MG . . 4.280 2.681 2.049 3.556 . 0 0 "[ . 1 . 2]" 1
1109 1 35 MET ME 1 39 THR MG . . 5.160 4.387 2.805 5.176 0.016 8 0 "[ . 1 . 2]" 1
1110 1 39 THR MG 1 43 LEU HB3 . . 5.500 4.855 4.295 5.493 . 0 0 "[ . 1 . 2]" 1
1111 1 39 THR MG 1 41 TRP HZ3 . . 4.830 4.201 3.433 4.840 0.010 8 0 "[ . 1 . 2]" 1
1112 1 39 THR MG 1 40 GLU H . . 5.190 3.384 2.806 4.085 . 0 0 "[ . 1 . 2]" 1
1113 1 35 MET HB2 1 43 LEU HB3 . . 4.150 3.241 2.775 3.606 . 0 0 "[ . 1 . 2]" 1
1114 1 44 ASN H 1 44 ASN HB2 . . 4.090 2.740 2.601 3.009 . 0 0 "[ . 1 . 2]" 1
1115 1 49 VAL QG 1 50 PHE HA . . 4.680 3.398 3.198 4.190 . 0 0 "[ . 1 . 2]" 1
1116 1 83 ILE MG 1 85 ILE HA . . 3.920 3.144 2.864 3.449 . 0 0 "[ . 1 . 2]" 1
1117 1 85 ILE HA 1 85 ILE HG12 . . 4.180 3.779 3.680 3.882 . 0 0 "[ . 1 . 2]" 1
1118 1 58 VAL MG2 1 85 ILE HA . . 4.210 4.063 3.405 4.223 0.013 19 0 "[ . 1 . 2]" 1
1119 1 56 ASP HA 1 60 VAL MG1 . . 4.700 4.186 4.020 4.706 0.006 19 0 "[ . 1 . 2]" 1
1120 1 61 ILE HA 1 61 ILE HG13 . . 4.050 2.759 2.187 3.771 . 0 0 "[ . 1 . 2]" 1
1121 1 61 ILE HA 1 64 LYS HG3 . . 3.370 2.916 2.504 3.378 0.008 1 0 "[ . 1 . 2]" 1
1122 1 61 ILE HA 1 64 LYS HB2 . . 3.900 3.522 3.157 3.822 . 0 0 "[ . 1 . 2]" 1
1123 1 61 ILE HA 1 64 LYS HG2 . . 4.310 3.412 2.929 4.133 . 0 0 "[ . 1 . 2]" 1
1124 1 61 ILE HA 1 61 ILE HG12 . . 4.050 2.954 2.479 3.516 . 0 0 "[ . 1 . 2]" 1
1125 1 63 VAL MG1 1 64 LYS H . . 4.480 1.958 1.862 2.126 . 0 0 "[ . 1 . 2]" 1
1126 1 64 LYS HA 1 67 GLU HG2 . . 5.010 4.288 3.394 4.919 . 0 0 "[ . 1 . 2]" 1
1127 1 64 LYS HA 1 67 GLU HB3 . . 3.910 3.598 3.258 3.915 0.005 8 0 "[ . 1 . 2]" 1
1128 1 50 PHE QE 1 65 ILE HA . . 4.570 4.022 3.675 4.443 . 0 0 "[ . 1 . 2]" 1
1129 1 62 LYS HA 1 65 ILE MG . . 4.890 4.572 4.284 4.740 . 0 0 "[ . 1 . 2]" 1
1130 1 65 ILE MG 1 76 GLN HE22 . . 4.410 2.371 1.859 2.892 . 0 0 "[ . 1 . 2]" 1
1131 1 65 ILE MD 1 76 GLN QB . . 4.360 3.571 2.668 4.369 0.009 10 0 "[ . 1 . 2]" 1
1132 1 65 ILE HA 1 65 ILE MD . . 4.030 3.866 3.807 3.906 . 0 0 "[ . 1 . 2]" 1
1133 1 62 LYS HA 1 65 ILE MD . . 3.990 2.228 1.871 2.521 . 0 0 "[ . 1 . 2]" 1
1134 1 62 LYS H 1 65 ILE MD . . 5.000 4.482 4.087 4.805 . 0 0 "[ . 1 . 2]" 1
1135 1 50 PHE QE 1 65 ILE MD . . 4.840 4.474 3.879 4.841 0.001 5 0 "[ . 1 . 2]" 1
1136 1 66 HIS HD2 1 70 GLY HA2 . . 4.370 4.052 3.537 4.362 . 0 0 "[ . 1 . 2]" 1
1137 1 66 HIS HA 1 66 HIS HD2 . . 3.960 3.080 2.727 3.366 . 0 0 "[ . 1 . 2]" 1
1138 1 66 HIS HD2 1 71 MET H . . 5.030 3.916 3.410 4.417 . 0 0 "[ . 1 . 2]" 1
1139 1 66 HIS HD2 1 72 PRO HB3 . . 5.040 4.003 3.571 4.460 . 0 0 "[ . 1 . 2]" 1
1140 1 41 TRP HH2 1 75 LYS HD2 . . 4.640 3.238 2.295 4.387 . 0 0 "[ . 1 . 2]" 1
1141 1 59 SER HB3 1 87 ASP HB3 . . 3.920 3.148 2.474 3.930 0.010 17 0 "[ . 1 . 2]" 1
1142 1 59 SER HB3 1 87 ASP HB2 . . 3.920 2.421 1.989 3.842 . 0 0 "[ . 1 . 2]" 1
1143 1 87 ASP HB2 1 88 SER H . . 4.420 3.617 3.279 4.009 . 0 0 "[ . 1 . 2]" 1
1144 1 87 ASP H 1 87 ASP HB2 . . 3.970 3.521 3.483 3.568 . 0 0 "[ . 1 . 2]" 1
1145 1 78 LEU HA 1 78 LEU HG . . 4.240 3.234 3.132 3.402 . 0 0 "[ . 1 . 2]" 1
1146 1 78 LEU HA 1 104 LEU HA . . 4.080 2.988 2.606 3.250 . 0 0 "[ . 1 . 2]" 1
1147 1 78 LEU HA 1 105 ALA H . . 4.370 3.848 2.843 4.181 . 0 0 "[ . 1 . 2]" 1
1148 1 78 LEU MD1 1 85 ILE MD . . 4.360 2.613 2.118 3.435 . 0 0 "[ . 1 . 2]" 1
1149 1 62 LYS HA 1 78 LEU MD1 . . 4.900 3.038 2.721 3.410 . 0 0 "[ . 1 . 2]" 1
1150 1 80 TYR QD 1 85 ILE HB . . 5.500 5.406 5.135 5.524 0.024 15 0 "[ . 1 . 2]" 1
1151 1 80 TYR QD 1 96 MET HB3 . . 5.500 5.049 4.676 5.515 0.015 16 0 "[ . 1 . 2]" 1
1152 1 80 TYR QD 1 100 ALA MB . . 4.180 3.598 3.124 3.917 . 0 0 "[ . 1 . 2]" 1
1153 1 80 TYR QD 1 101 VAL H . . 4.880 3.515 3.237 3.775 . 0 0 "[ . 1 . 2]" 1
1154 1 80 TYR QE 1 102 ILE MD . . 4.540 4.262 3.731 4.547 0.007 15 0 "[ . 1 . 2]" 1
1155 1 80 TYR QE 1 83 ILE MD . . 5.360 3.546 2.404 4.464 . 0 0 "[ . 1 . 2]" 1
1156 1 80 TYR QE 1 101 VAL MG1 . . 5.500 4.151 3.344 4.545 . 0 0 "[ . 1 . 2]" 1
1157 1 80 TYR QE 1 81 GLU HG3 . . 4.630 3.123 2.325 4.517 . 0 0 "[ . 1 . 2]" 1
1158 1 81 GLU HA 1 81 GLU HG2 . . 4.210 2.785 2.295 3.827 . 0 0 "[ . 1 . 2]" 1
1159 1 80 TYR HA 1 81 GLU HA . . 4.630 4.371 4.357 4.395 . 0 0 "[ . 1 . 2]" 1
1160 1 9 GLU QG 1 83 ILE MG . . 4.550 4.031 2.798 4.560 0.010 18 0 "[ . 1 . 2]" 1
1161 1 77 LYS HG3 1 84 PHE QD . . 4.350 3.764 2.034 4.311 . 0 0 "[ . 1 . 2]" 1
1162 1 77 LYS HG2 1 84 PHE QD . . 4.350 2.496 2.130 2.765 . 0 0 "[ . 1 . 2]" 1
1163 1 77 LYS HB3 1 84 PHE QD . . 4.340 4.234 3.767 4.482 0.142 15 0 "[ . 1 . 2]" 1
1164 1 79 GLN HG2 1 84 PHE QD . . 4.850 4.802 4.645 4.983 0.133 15 0 "[ . 1 . 2]" 1
1165 1 79 GLN HB2 1 84 PHE QD . . 3.940 3.822 3.370 3.977 0.037 15 0 "[ . 1 . 2]" 1
1166 1 79 GLN HA 1 85 ILE MG . . 5.120 4.306 3.736 4.786 . 0 0 "[ . 1 . 2]" 1
1167 1 85 ILE MG 1 86 LYS H . . 4.510 3.813 3.727 3.935 . 0 0 "[ . 1 . 2]" 1
1168 1 78 LEU HB2 1 85 ILE HG12 . . 4.580 3.622 2.977 4.267 . 0 0 "[ . 1 . 2]" 1
1169 1 79 GLN HA 1 85 ILE HG12 . . 4.840 3.158 1.999 3.907 . 0 0 "[ . 1 . 2]" 1
1170 1 23 LYS H 1 23 LYS QD . . 5.200 4.089 2.033 4.923 . 0 0 "[ . 1 . 2]" 1
1171 1 86 LYS H 1 86 LYS QD . . 5.500 3.825 2.602 4.708 . 0 0 "[ . 1 . 2]" 1
1172 1 56 ASP HB3 1 91 LEU MD1 . . 4.660 4.519 3.567 4.664 0.004 6 0 "[ . 1 . 2]" 1
1173 1 15 GLU QB 1 93 TYR QD . . 4.420 3.906 3.343 4.338 . 0 0 "[ . 1 . 2]" 1
1174 1 12 LEU MD1 1 93 TYR QE . . 4.000 3.356 2.585 3.928 . 0 0 "[ . 1 . 2]" 1
1175 1 93 TYR QE 1 94 TYR QD . . 4.060 3.833 3.553 4.026 . 0 0 "[ . 1 . 2]" 1
1176 1 96 MET HB2 1 97 ALA H . . 5.020 3.594 3.193 4.100 . 0 0 "[ . 1 . 2]" 1
1177 1 28 ILE MG 1 96 MET HB3 . . 5.310 4.217 3.405 4.683 . 0 0 "[ . 1 . 2]" 1
1178 1 91 LEU MD2 1 96 MET HG3 . . 4.970 3.865 3.159 4.964 . 0 0 "[ . 1 . 2]" 1
1179 1 96 MET H 1 96 MET HG3 . . 3.810 2.339 2.140 2.753 . 0 0 "[ . 1 . 2]" 1
1180 1 98 SER H 1 98 SER HB2 . . 3.790 3.215 2.226 3.610 . 0 0 "[ . 1 . 2]" 1
1181 1 100 ALA HA 1 101 VAL HB . . 4.760 4.349 4.230 4.452 . 0 0 "[ . 1 . 2]" 1
1182 1 101 VAL MG2 1 103 HIS HD2 . . 5.160 3.895 2.633 4.920 . 0 0 "[ . 1 . 2]" 1
1183 1 29 LYS H 1 101 VAL MG2 . . 4.840 3.755 3.432 4.167 . 0 0 "[ . 1 . 2]" 1
1184 1 80 TYR HA 1 103 HIS HD2 . . 4.890 3.805 2.983 4.529 . 0 0 "[ . 1 . 2]" 1
1185 1 101 VAL MG2 1 103 HIS HE1 . . 4.460 3.295 2.205 4.318 . 0 0 "[ . 1 . 2]" 1
1186 1 106 LEU HA 1 106 LEU MD1 . . 4.570 2.993 1.993 3.812 . 0 0 "[ . 1 . 2]" 1
1187 1 41 TRP HZ3 1 106 LEU MD2 . . 4.260 2.815 1.815 4.164 . 0 0 "[ . 1 . 2]" 1
1188 1 107 LYS H 1 107 LYS HG2 . . 4.700 4.476 4.367 4.573 . 0 0 "[ . 1 . 2]" 1
1189 1 107 LYS H 1 107 LYS HG3 . . 4.700 4.425 4.251 4.596 . 0 0 "[ . 1 . 2]" 1
1190 1 40 GLU HG3 1 41 TRP HD1 . . 4.700 3.259 2.521 4.302 . 0 0 "[ . 1 . 2]" 1
1191 1 40 GLU HG2 1 41 TRP HD1 . . 4.700 3.590 2.098 4.698 . 0 0 "[ . 1 . 2]" 1
1192 1 41 TRP HD1 1 71 MET HA . . 4.780 2.840 2.104 3.439 . 0 0 "[ . 1 . 2]" 1
1193 1 41 TRP HD1 1 70 GLY HA2 . . 5.040 4.787 3.991 5.021 . 0 0 "[ . 1 . 2]" 1
1194 1 41 TRP HD1 1 70 GLY HA3 . . 4.230 3.758 2.799 4.115 . 0 0 "[ . 1 . 2]" 1
1195 1 41 TRP HZ2 1 72 PRO HD3 . . 4.340 4.075 3.205 4.344 0.004 7 0 "[ . 1 . 2]" 1
1196 1 41 TRP HZ2 1 72 PRO HD2 . . 4.340 3.742 2.974 4.111 . 0 0 "[ . 1 . 2]" 1
1197 1 41 TRP HH2 1 75 LYS HD3 . . 4.640 3.060 1.999 4.619 . 0 0 "[ . 1 . 2]" 1
1198 1 41 TRP HE3 1 43 LEU HG . . 4.490 3.797 3.159 4.156 . 0 0 "[ . 1 . 2]" 1
1199 1 12 LEU HB2 1 12 LEU MD2 . . 3.580 3.161 3.125 3.180 . 0 0 "[ . 1 . 2]" 1
1200 1 13 MET HB3 1 14 PRO HD2 . . 5.070 2.700 1.973 4.083 . 0 0 "[ . 1 . 2]" 1
1201 1 35 MET H 1 35 MET HB2 . . 3.840 2.288 2.176 2.511 . 0 0 "[ . 1 . 2]" 1
1202 1 13 MET ME 1 13 MET HG3 . . 3.510 2.369 2.001 3.387 . 0 0 "[ . 1 . 2]" 1
1203 1 13 MET ME 1 13 MET HG2 . . 3.510 3.072 2.125 3.383 . 0 0 "[ . 1 . 2]" 1
1204 1 13 MET ME 1 14 PRO HD2 . . 4.980 3.930 3.173 4.513 . 0 0 "[ . 1 . 2]" 1
1205 1 13 MET ME 1 14 PRO HD3 . . 4.980 4.622 4.120 5.079 0.099 15 0 "[ . 1 . 2]" 1
1206 1 13 MET H 1 13 MET ME . . 5.190 3.839 1.833 5.150 . 0 0 "[ . 1 . 2]" 1
1207 1 13 MET HG2 1 14 PRO HD2 . . 4.580 2.903 2.051 3.598 . 0 0 "[ . 1 . 2]" 1
1208 1 13 MET HA 1 14 PRO HD2 . . 3.520 2.433 2.213 2.631 . 0 0 "[ . 1 . 2]" 1
1209 1 13 MET HA 1 14 PRO HD3 . . 3.520 2.326 2.255 2.417 . 0 0 "[ . 1 . 2]" 1
1210 1 13 MET HG2 1 14 PRO HD3 . . 4.580 4.246 3.057 4.698 0.118 7 0 "[ . 1 . 2]" 1
1211 1 13 MET HB2 1 14 PRO HD3 . . 5.070 4.500 3.118 4.825 . 0 0 "[ . 1 . 2]" 1
1212 1 16 GLU HA 1 16 GLU HG3 . . 3.980 3.186 2.314 4.190 0.210 8 0 "[ . 1 . 2]" 1
1213 1 15 GLU HG2 1 16 GLU HA . . 4.320 4.205 3.998 4.338 0.018 14 0 "[ . 1 . 2]" 1
1214 1 16 GLU HA 1 19 LEU HG . . 3.840 3.783 3.521 3.862 0.022 5 0 "[ . 1 . 2]" 1
1215 1 48 LEU HB3 1 50 PHE HZ . . 4.520 2.252 1.996 2.881 . 0 0 "[ . 1 . 2]" 1
1216 1 28 ILE MD 1 50 PHE QD . . 3.500 2.743 1.980 3.340 . 0 0 "[ . 1 . 2]" 1
1217 1 19 LEU HA 1 19 LEU HG . . 3.730 3.148 3.066 3.286 . 0 0 "[ . 1 . 2]" 1
1218 1 20 ARG HB2 1 21 ARG H . . 3.670 2.819 2.702 2.972 . 0 0 "[ . 1 . 2]" 1
1219 1 20 ARG HB3 1 21 ARG H . . 4.040 3.897 3.786 4.002 . 0 0 "[ . 1 . 2]" 1
1220 1 17 GLU HA 1 20 ARG HG3 . . 4.460 2.513 2.016 3.241 . 0 0 "[ . 1 . 2]" 1
1221 1 20 ARG HA 1 20 ARG QD . . 4.200 3.420 2.008 4.252 0.052 20 0 "[ . 1 . 2]" 1
1222 1 21 ARG HA 1 21 ARG HG3 . . 3.790 3.283 2.191 3.755 . 0 0 "[ . 1 . 2]" 1
1223 1 23 LYS HA 1 23 LYS QD . . 4.230 3.662 2.066 4.335 0.105 4 0 "[ . 1 . 2]" 1
1224 1 26 VAL HB 1 98 SER HA . . 4.500 2.031 1.988 2.280 . 0 0 "[ . 1 . 2]" 1
1225 1 28 ILE MG 1 50 PHE H . . 5.340 4.975 4.687 5.231 . 0 0 "[ . 1 . 2]" 1
1226 1 28 ILE MD 1 100 ALA MB . . 4.420 4.369 4.218 4.427 0.007 14 0 "[ . 1 . 2]" 1
1227 1 29 LYS HB3 1 29 LYS QE . . 4.300 3.532 2.051 4.153 . 0 0 "[ . 1 . 2]" 1
1228 1 29 LYS H 1 30 VAL MG2 . . 5.070 4.612 4.333 4.814 . 0 0 "[ . 1 . 2]" 1
1229 1 30 VAL MG2 1 50 PHE QE . . 3.530 2.291 1.799 3.140 . 0 0 "[ . 1 . 2]" 1
1230 1 30 VAL MG2 1 48 LEU HB2 . . 4.120 3.137 2.675 3.482 . 0 0 "[ . 1 . 2]" 1
1231 1 32 VAL MG1 1 46 GLN HE21 . . 4.590 2.598 2.091 3.238 . 0 0 "[ . 1 . 2]" 1
1232 1 32 VAL MG1 1 46 GLN HE22 . . 4.590 3.853 2.203 4.310 . 0 0 "[ . 1 . 2]" 1
1233 1 32 VAL MG1 1 43 LEU HA . . 3.430 2.197 1.979 2.578 . 0 0 "[ . 1 . 2]" 1
1234 1 30 VAL MG1 1 32 VAL MG1 . . 4.210 4.147 3.963 4.212 0.002 10 0 "[ . 1 . 2]" 1
1235 1 31 GLN HA 1 32 VAL MG2 . . 4.170 3.888 3.726 4.059 . 0 0 "[ . 1 . 2]" 1
1236 1 30 VAL HB 1 32 VAL MG2 . . 4.100 3.405 3.242 3.565 . 0 0 "[ . 1 . 2]" 1
1237 1 35 MET HB2 1 43 LEU HB2 . . 3.700 2.150 2.026 2.354 . 0 0 "[ . 1 . 2]" 1
1238 1 35 MET HG3 1 43 LEU MD1 . . 4.510 2.522 1.867 4.013 . 0 0 "[ . 1 . 2]" 1
1239 1 35 MET ME 1 106 LEU MD1 . . 4.240 2.768 1.890 4.102 . 0 0 "[ . 1 . 2]" 1
1240 1 35 MET ME 1 43 LEU MD1 . . 3.740 3.176 1.945 3.748 0.008 18 0 "[ . 1 . 2]" 1
1241 1 35 MET ME 1 106 LEU HB3 . . 4.280 3.559 2.439 4.313 0.033 1 0 "[ . 1 . 2]" 1
1242 1 35 MET ME 1 106 LEU HG . . 5.460 3.385 1.958 4.748 . 0 0 "[ . 1 . 2]" 1
1243 1 35 MET ME 1 106 LEU HB2 . . 4.280 2.961 1.889 3.661 . 0 0 "[ . 1 . 2]" 1
1244 1 35 MET HA 1 35 MET ME . . 5.120 3.546 2.510 4.683 . 0 0 "[ . 1 . 2]" 1
1245 1 35 MET ME 1 106 LEU H . . 4.810 4.197 2.908 4.813 0.003 15 0 "[ . 1 . 2]" 1
1246 1 38 LYS HA 1 38 LYS HG3 . . 4.170 3.077 2.523 3.851 . 0 0 "[ . 1 . 2]" 1
1247 1 38 LYS HA 1 38 LYS HG2 . . 4.170 3.326 2.261 4.222 0.052 7 0 "[ . 1 . 2]" 1
1248 1 38 LYS H 1 38 LYS HB3 . . 4.030 3.632 3.156 4.050 0.020 19 0 "[ . 1 . 2]" 1
1249 1 38 LYS H 1 38 LYS HB2 . . 4.030 3.231 2.549 4.071 0.041 7 0 "[ . 1 . 2]" 1
1250 1 38 LYS HA 1 39 THR MG . . 4.450 4.031 3.662 4.276 . 0 0 "[ . 1 . 2]" 1
1251 1 38 LYS H 1 39 THR MG . . 4.050 3.835 2.438 4.122 0.072 10 0 "[ . 1 . 2]" 1
1252 1 39 THR MG 1 41 TRP HE3 . . 4.290 2.962 2.218 3.596 . 0 0 "[ . 1 . 2]" 1
1253 1 41 TRP HB3 1 43 LEU MD1 . . 4.380 3.070 2.414 4.046 . 0 0 "[ . 1 . 2]" 1
1254 1 41 TRP HB2 1 43 LEU HG . . 3.900 2.567 2.176 2.807 . 0 0 "[ . 1 . 2]" 1
1255 1 41 TRP HB2 1 41 TRP HE3 . . 3.940 2.543 2.417 2.736 . 0 0 "[ . 1 . 2]" 1
1256 1 41 TRP HZ3 1 106 LEU MD1 . . 4.260 2.350 1.817 3.926 . 0 0 "[ . 1 . 2]" 1
1257 1 42 LYS HB2 1 69 THR HA . . 3.860 2.140 1.993 2.460 . 0 0 "[ . 1 . 2]" 1
1258 1 42 LYS HB3 1 69 THR HA . . 3.860 3.400 3.113 3.694 . 0 0 "[ . 1 . 2]" 1
1259 1 38 LYS HA 1 38 LYS HD2 . . 4.430 3.067 2.106 4.425 . 0 0 "[ . 1 . 2]" 1
1260 1 38 LYS HA 1 38 LYS HD3 . . 4.430 3.259 2.015 4.382 . 0 0 "[ . 1 . 2]" 1
1261 1 35 MET HB3 1 39 THR MG . . 4.400 2.311 1.760 3.411 . 0 0 "[ . 1 . 2]" 1
1262 1 35 MET H 1 43 LEU HB2 . . 3.910 2.379 1.910 2.921 . 0 0 "[ . 1 . 2]" 1
1263 1 33 PRO HD2 1 43 LEU MD2 . . 4.140 2.530 2.079 2.714 . 0 0 "[ . 1 . 2]" 1
1264 1 43 LEU MD2 1 71 MET ME . . 3.540 3.366 3.015 3.548 0.008 18 0 "[ . 1 . 2]" 1
1265 1 64 LYS HB3 1 64 LYS HD2 . . 4.230 2.658 2.123 3.403 . 0 0 "[ . 1 . 2]" 1
1266 1 64 LYS H 1 64 LYS HD2 . . 5.390 4.535 3.853 4.903 . 0 0 "[ . 1 . 2]" 1
1267 1 46 GLN QB 1 48 LEU MD2 . . 3.890 3.769 3.581 3.887 . 0 0 "[ . 1 . 2]" 1
1268 1 30 VAL MG1 1 48 LEU HB2 . . 3.580 3.250 2.896 3.519 . 0 0 "[ . 1 . 2]" 1
1269 1 30 VAL HB 1 48 LEU MD1 . . 3.750 3.402 2.930 3.757 0.007 18 0 "[ . 1 . 2]" 1
1270 1 46 GLN HE21 1 48 LEU MD2 . . 4.030 3.398 2.485 4.025 . 0 0 "[ . 1 . 2]" 1
1271 1 46 GLN HE22 1 48 LEU MD2 . . 4.030 3.509 2.996 4.046 0.016 20 0 "[ . 1 . 2]" 1
1272 1 50 PHE H 1 50 PHE HB2 . . 4.120 2.944 2.723 3.060 . 0 0 "[ . 1 . 2]" 1
1273 1 50 PHE HB3 1 52 LEU HG . . 4.460 3.353 2.853 4.191 . 0 0 "[ . 1 . 2]" 1
1274 1 52 LEU HB3 1 52 LEU MD1 . . 3.600 2.676 2.235 3.144 . 0 0 "[ . 1 . 2]" 1
1275 1 50 PHE HB2 1 52 LEU MD1 . . 4.370 2.954 2.059 4.355 . 0 0 "[ . 1 . 2]" 1
1276 1 55 THR HA 1 55 THR MG . . 3.360 2.172 2.007 2.317 . 0 0 "[ . 1 . 2]" 1
1277 1 19 LEU MD1 1 55 THR HA . . 4.950 4.429 4.142 4.888 . 0 0 "[ . 1 . 2]" 1
1278 1 19 LEU MD2 1 55 THR HA . . 5.130 3.693 3.302 4.213 . 0 0 "[ . 1 . 2]" 1
1279 1 58 VAL MG2 1 85 ILE MG . . 4.950 3.205 2.863 3.445 . 0 0 "[ . 1 . 2]" 1
1280 1 58 VAL MG2 1 87 ASP HA . . 4.020 3.698 3.437 4.016 . 0 0 "[ . 1 . 2]" 1
1281 1 57 GLN HA 1 58 VAL MG2 . . 4.850 3.770 3.519 3.958 . 0 0 "[ . 1 . 2]" 1
1282 1 58 VAL MG1 1 85 ILE MG . . 5.500 4.061 3.786 4.524 . 0 0 "[ . 1 . 2]" 1
1283 1 58 VAL MG1 1 59 SER HA . . 4.650 3.793 3.532 4.071 . 0 0 "[ . 1 . 2]" 1
1284 1 56 ASP HB3 1 60 VAL MG2 . . 4.510 2.686 2.001 3.253 . 0 0 "[ . 1 . 2]" 1
1285 1 60 VAL MG2 1 61 ILE HA . . 5.380 3.535 3.216 3.772 . 0 0 "[ . 1 . 2]" 1
1286 1 63 VAL MG2 1 64 LYS HA . . 4.390 4.073 3.934 4.254 . 0 0 "[ . 1 . 2]" 1
1287 1 61 ILE HA 1 61 ILE MG . . 2.960 2.388 2.247 2.526 . 0 0 "[ . 1 . 2]" 1
1288 1 61 ILE MG 1 64 LYS HB2 . . 3.900 3.705 3.387 3.908 0.008 16 0 "[ . 1 . 2]" 1
1289 1 64 LYS HA 1 64 LYS HG2 . . 3.600 2.828 2.656 3.025 . 0 0 "[ . 1 . 2]" 1
1290 1 63 VAL HB 1 64 LYS HG2 . . 4.970 4.867 4.707 4.985 0.015 10 0 "[ . 1 . 2]" 1
1291 1 62 LYS HE2 1 78 LEU MD1 . . 4.210 3.025 2.300 3.937 . 0 0 "[ . 1 . 2]" 1
1292 1 65 ILE HA 1 69 THR MG . . 4.110 3.957 3.731 4.111 0.001 3 0 "[ . 1 . 2]" 1
1293 1 50 PHE QE 1 65 ILE HG13 . . 4.810 3.750 3.345 4.290 . 0 0 "[ . 1 . 2]" 1
1294 1 42 LYS HB2 1 69 THR HB . . 4.180 2.064 1.993 2.227 . 0 0 "[ . 1 . 2]" 1
1295 1 71 MET ME 1 71 MET HG3 . . 3.710 2.355 2.217 2.524 . 0 0 "[ . 1 . 2]" 1
1296 1 43 LEU MD1 1 71 MET ME . . 3.420 2.602 2.070 3.345 . 0 0 "[ . 1 . 2]" 1
1297 1 35 MET ME 1 71 MET ME . . 5.300 4.243 3.136 5.045 . 0 0 "[ . 1 . 2]" 1
1298 1 71 MET ME 1 76 GLN HG2 . . 4.300 4.102 3.868 4.302 0.002 3 0 "[ . 1 . 2]" 1
1299 1 71 MET ME 1 76 GLN HA . . 3.540 2.339 2.019 2.915 . 0 0 "[ . 1 . 2]" 1
1300 1 71 MET ME 1 106 LEU HA . . 3.410 3.212 2.917 3.418 0.008 1 0 "[ . 1 . 2]" 1
1301 1 41 TRP HZ3 1 71 MET ME . . 3.930 2.732 1.961 3.392 . 0 0 "[ . 1 . 2]" 1
1302 1 41 TRP HH2 1 71 MET ME . . 4.660 3.653 3.181 4.236 . 0 0 "[ . 1 . 2]" 1
1303 1 41 TRP HE3 1 71 MET ME . . 4.310 2.661 2.167 3.035 . 0 0 "[ . 1 . 2]" 1
1304 1 71 MET ME 1 107 LYS H . . 4.360 4.233 3.958 4.365 0.005 6 0 "[ . 1 . 2]" 1
1305 1 71 MET ME 1 77 LYS H . . 4.430 3.908 3.643 4.350 . 0 0 "[ . 1 . 2]" 1
1306 1 71 MET HG2 1 72 PRO HD2 . . 4.220 2.416 2.204 2.664 . 0 0 "[ . 1 . 2]" 1
1307 1 62 LYS HB3 1 73 ALA MB . . 4.000 2.100 1.809 2.431 . 0 0 "[ . 1 . 2]" 1
1308 1 62 LYS QD 1 73 ALA MB . . 3.580 2.897 2.275 3.359 . 0 0 "[ . 1 . 2]" 1
1309 1 106 LEU HA 1 106 LEU HG . . 3.780 3.022 2.430 3.683 . 0 0 "[ . 1 . 2]" 1
1310 1 75 LYS HG2 1 76 GLN H . . 5.500 4.872 4.507 5.188 . 0 0 "[ . 1 . 2]" 1
1311 1 75 LYS HG3 1 76 GLN H . . 5.500 4.694 4.240 5.050 . 0 0 "[ . 1 . 2]" 1
1312 1 76 GLN HA 1 107 LYS H . . 4.750 3.503 2.673 4.578 . 0 0 "[ . 1 . 2]" 1
1313 1 71 MET HG2 1 76 GLN HG2 . . 4.520 3.594 3.223 3.814 . 0 0 "[ . 1 . 2]" 1
1314 1 62 LYS QD 1 76 GLN HG3 . . 4.830 3.710 2.792 4.784 . 0 0 "[ . 1 . 2]" 1
1315 1 71 MET ME 1 76 GLN HG3 . . 5.320 4.595 4.339 4.865 . 0 0 "[ . 1 . 2]" 1
1316 1 87 ASP HB3 1 88 SER H . . 4.420 4.230 4.100 4.375 . 0 0 "[ . 1 . 2]" 1
1317 1 59 SER HB2 1 87 ASP HB3 . . 3.920 3.555 2.276 3.941 0.021 2 0 "[ . 1 . 2]" 1
1318 1 59 SER HB2 1 87 ASP HB2 . . 3.920 3.153 1.993 3.754 . 0 0 "[ . 1 . 2]" 1
1319 1 77 LYS HB2 1 77 LYS HE3 . . 4.460 3.536 2.256 4.362 . 0 0 "[ . 1 . 2]" 1
1320 1 77 LYS HB3 1 77 LYS HE3 . . 4.890 3.514 1.997 4.318 . 0 0 "[ . 1 . 2]" 1
1321 1 77 LYS HE3 1 84 PHE QD . . 4.680 3.547 2.052 4.687 0.007 3 0 "[ . 1 . 2]" 1
1322 1 78 LEU HB2 1 85 ILE H . . 5.500 4.860 4.177 5.413 . 0 0 "[ . 1 . 2]" 1
1323 1 78 LEU HB3 1 79 GLN H . . 4.640 3.351 2.812 3.688 . 0 0 "[ . 1 . 2]" 1
1324 1 78 LEU HB3 1 85 ILE HG13 . . 3.770 3.271 2.875 3.650 . 0 0 "[ . 1 . 2]" 1
1325 1 78 LEU H 1 78 LEU MD2 . . 4.420 3.325 2.986 3.665 . 0 0 "[ . 1 . 2]" 1
1326 1 79 GLN HB2 1 80 TYR H . . 5.020 4.329 4.142 4.531 . 0 0 "[ . 1 . 2]" 1
1327 1 79 GLN HB3 1 103 HIS H . . 5.210 3.670 3.305 4.399 . 0 0 "[ . 1 . 2]" 1
1328 1 79 GLN HG2 1 83 ILE H . . 5.130 2.911 2.052 3.966 . 0 0 "[ . 1 . 2]" 1
1329 1 79 GLN HA 1 79 GLN HG3 . . 4.180 2.509 2.162 2.777 . 0 0 "[ . 1 . 2]" 1
1330 1 79 GLN HG3 1 84 PHE QD . . 4.850 3.241 3.039 3.451 . 0 0 "[ . 1 . 2]" 1
1331 1 50 PHE HB3 1 52 LEU MD2 . . 4.370 3.368 2.257 4.276 . 0 0 "[ . 1 . 2]" 1
1332 1 80 TYR QD 1 85 ILE HG12 . . 4.890 4.703 4.427 4.901 0.011 16 0 "[ . 1 . 2]" 1
1333 1 80 TYR QD 1 102 ILE MG . . 5.410 4.860 4.528 5.084 . 0 0 "[ . 1 . 2]" 1
1334 1 83 ILE HA 1 83 ILE HG13 . . 4.080 2.841 2.191 2.998 . 0 0 "[ . 1 . 2]" 1
1335 1 83 ILE H 1 83 ILE HG12 . . 4.270 3.945 3.496 4.261 . 0 0 "[ . 1 . 2]" 1
1336 1 83 ILE MD 1 84 PHE H . . 5.500 4.945 4.690 5.331 . 0 0 "[ . 1 . 2]" 1
1337 1 83 ILE H 1 83 ILE MD . . 4.440 3.655 2.153 4.095 . 0 0 "[ . 1 . 2]" 1
1338 1 80 TYR QD 1 83 ILE MD . . 3.930 3.036 2.130 3.883 . 0 0 "[ . 1 . 2]" 1
1339 1 9 GLU HA 1 83 ILE MD . . 4.800 4.622 3.968 4.827 0.027 16 0 "[ . 1 . 2]" 1
1340 1 83 ILE HA 1 83 ILE MD . . 4.350 3.805 3.251 3.901 . 0 0 "[ . 1 . 2]" 1
1341 1 9 GLU QG 1 83 ILE MD . . 4.420 2.498 1.932 3.439 . 0 0 "[ . 1 . 2]" 1
1342 1 83 ILE MD 1 85 ILE MG . . 4.480 3.665 3.249 4.488 0.008 3 0 "[ . 1 . 2]" 1
1343 1 86 LYS HG2 1 87 ASP H . . 4.680 3.564 1.898 4.715 0.035 16 0 "[ . 1 . 2]" 1
1344 1 86 LYS HA 1 86 LYS HG2 . . 4.120 3.009 2.480 3.796 . 0 0 "[ . 1 . 2]" 1
1345 1 59 SER H 1 87 ASP HA . . 3.590 2.676 2.403 2.964 . 0 0 "[ . 1 . 2]" 1
1346 1 59 SER HA 1 87 ASP HA . . 4.530 3.322 2.897 3.822 . 0 0 "[ . 1 . 2]" 1
1347 1 58 VAL MG1 1 87 ASP HA . . 3.360 3.238 2.385 3.393 0.033 16 0 "[ . 1 . 2]" 1
1348 1 91 LEU HA 1 91 LEU MD1 . . 3.930 3.727 3.330 3.925 . 0 0 "[ . 1 . 2]" 1
1349 1 15 GLU HG2 1 92 ALA MB . . 4.170 2.562 2.020 2.982 . 0 0 "[ . 1 . 2]" 1
1350 1 18 PHE QD 1 92 ALA MB . . 3.750 2.103 1.894 2.467 . 0 0 "[ . 1 . 2]" 1
1351 1 15 GLU HG3 1 93 TYR HA . . 3.770 3.609 3.090 3.784 0.014 14 0 "[ . 1 . 2]" 1
1352 1 80 TYR QE 1 94 TYR HB2 . . 4.350 4.246 4.121 4.351 0.001 4 0 "[ . 1 . 2]" 1
1353 1 94 TYR HB3 1 96 MET HG3 . . 4.070 3.077 2.665 3.459 . 0 0 "[ . 1 . 2]" 1
1354 1 92 ALA HA 1 95 ASN HA . . 4.830 3.521 3.307 3.807 . 0 0 "[ . 1 . 2]" 1
1355 1 95 ASN HA 1 95 ASN HD22 . . 4.660 3.922 3.580 4.236 . 0 0 "[ . 1 . 2]" 1
1356 1 85 ILE MG 1 96 MET ME . . 3.920 2.228 1.847 2.586 . 0 0 "[ . 1 . 2]" 1
1357 1 85 ILE MD 1 96 MET ME . . 3.360 2.251 1.920 2.801 . 0 0 "[ . 1 . 2]" 1
1358 1 91 LEU MD2 1 96 MET ME . . 3.080 2.380 1.748 3.052 . 0 0 "[ . 1 . 2]" 1
1359 1 96 MET ME 1 96 MET HG2 . . 3.420 2.507 2.035 2.769 . 0 0 "[ . 1 . 2]" 1
1360 1 91 LEU HG 1 96 MET ME . . 4.610 3.786 2.540 4.510 . 0 0 "[ . 1 . 2]" 1
1361 1 96 MET ME 1 96 MET HG3 . . 3.500 2.460 2.262 2.936 . 0 0 "[ . 1 . 2]" 1
1362 1 94 TYR HB3 1 96 MET ME . . 3.940 3.072 2.594 3.842 . 0 0 "[ . 1 . 2]" 1
1363 1 80 TYR HB3 1 96 MET ME . . 3.980 3.114 2.258 3.869 . 0 0 "[ . 1 . 2]" 1
1364 1 80 TYR HB2 1 96 MET ME . . 4.400 3.101 1.976 3.917 . 0 0 "[ . 1 . 2]" 1
1365 1 94 TYR HB2 1 96 MET ME . . 3.940 2.793 2.288 3.538 . 0 0 "[ . 1 . 2]" 1
1366 1 85 ILE HA 1 96 MET ME . . 5.350 4.999 4.531 5.358 0.008 14 0 "[ . 1 . 2]" 1
1367 1 96 MET HA 1 96 MET ME . . 5.500 4.609 4.417 4.751 . 0 0 "[ . 1 . 2]" 1
1368 1 91 LEU HA 1 96 MET ME . . 4.250 2.990 2.262 3.677 . 0 0 "[ . 1 . 2]" 1
1369 1 80 TYR QE 1 96 MET ME . . 3.730 3.469 3.190 3.719 . 0 0 "[ . 1 . 2]" 1
1370 1 80 TYR QD 1 96 MET ME . . 3.630 2.610 1.986 3.138 . 0 0 "[ . 1 . 2]" 1
1371 1 96 MET HA 1 100 ALA MB . . 4.970 4.561 3.938 4.902 . 0 0 "[ . 1 . 2]" 1
1372 1 29 LYS H 1 102 ILE HB . . 5.250 4.878 4.409 5.256 0.006 19 0 "[ . 1 . 2]" 1
1373 1 31 GLN H 1 102 ILE HB . . 5.500 4.244 3.949 4.421 . 0 0 "[ . 1 . 2]" 1
1374 1 80 TYR HB3 1 102 ILE MG . . 5.380 4.547 4.188 4.868 . 0 0 "[ . 1 . 2]" 1
1375 1 102 ILE H 1 102 ILE MG . . 4.090 3.799 3.780 3.831 . 0 0 "[ . 1 . 2]" 1
1376 1 33 PRO HD3 1 104 LEU HG . . 4.780 3.903 3.220 4.699 . 0 0 "[ . 1 . 2]" 1
1377 1 35 MET ME 1 106 LEU MD2 . . 4.240 2.971 1.846 4.243 0.003 8 0 "[ . 1 . 2]" 1
1378 1 109 ARG HA 1 109 ARG QD . . 5.090 3.571 2.160 4.265 . 0 0 "[ . 1 . 2]" 1
1379 1 48 LEU HB2 1 50 PHE HZ . . 5.120 3.104 2.434 4.210 . 0 0 "[ . 1 . 2]" 1
1380 1 91 LEU HA 1 96 MET HG3 . . 4.490 4.018 2.860 4.482 . 0 0 "[ . 1 . 2]" 1
1381 1 43 LEU HB2 1 43 LEU MD2 . . 3.630 3.180 3.161 3.194 . 0 0 "[ . 1 . 2]" 1
1382 1 35 MET HB3 1 43 LEU HB2 . . 3.860 3.760 2.413 3.871 0.011 6 0 "[ . 1 . 2]" 1
1383 1 51 THR H 1 51 THR HB . . 3.510 2.867 2.515 3.572 0.062 6 0 "[ . 1 . 2]" 1
1384 1 52 LEU HA 1 53 PRO HD3 . . 3.570 2.259 2.252 2.287 . 0 0 "[ . 1 . 2]" 1
1385 1 52 LEU HA 1 53 PRO HD2 . . 3.570 2.227 2.103 2.362 . 0 0 "[ . 1 . 2]" 1
1386 1 58 VAL MG1 1 61 ILE HB . . 3.180 2.301 2.050 2.662 . 0 0 "[ . 1 . 2]" 1
1387 1 65 ILE MG 1 66 HIS HA . . 3.970 3.310 3.100 3.508 . 0 0 "[ . 1 . 2]" 1
1388 1 67 GLU HB2 1 68 ALA MB . . 4.610 4.459 3.969 4.701 0.091 14 0 "[ . 1 . 2]" 1
1389 1 27 SER H 1 99 GLY HA2 . . 4.070 3.894 3.513 4.079 0.009 16 0 "[ . 1 . 2]" 1
1390 1 77 LYS HB3 1 78 LEU H . . 4.580 4.085 3.462 4.331 . 0 0 "[ . 1 . 2]" 1
1391 1 29 LYS HB2 1 101 VAL MG2 . . 3.620 3.516 3.049 3.624 0.004 3 0 "[ . 1 . 2]" 1
1392 1 100 ALA HA 1 101 VAL HA . . 5.130 4.508 4.468 4.544 . 0 0 "[ . 1 . 2]" 1
1393 1 76 GLN HA 1 105 ALA H . . 5.500 4.534 4.058 5.137 . 0 0 "[ . 1 . 2]" 1
1394 1 57 GLN HB3 1 90 SER HA . . 5.220 3.017 2.420 3.839 . 0 0 "[ . 1 . 2]" 1
1395 1 90 SER HA 1 91 LEU HG . . 5.500 4.224 3.697 4.795 . 0 0 "[ . 1 . 2]" 1
1396 1 8 THR MG 1 10 ASP H . . 5.050 3.882 2.620 5.139 0.089 2 0 "[ . 1 . 2]" 1
1397 1 63 VAL MG2 1 67 GLU HB2 . . 4.240 4.168 3.983 4.245 0.005 8 0 "[ . 1 . 2]" 1
1398 1 12 LEU HA 1 12 LEU MD1 . . 3.960 3.847 3.804 3.911 . 0 0 "[ . 1 . 2]" 1
1399 1 12 LEU MD2 1 95 ASN HD22 . . 5.500 4.537 3.583 5.247 . 0 0 "[ . 1 . 2]" 1
1400 1 15 GLU HA 1 95 ASN HD22 . . 5.390 4.137 3.454 5.390 . 0 0 "[ . 1 . 2]" 1
1401 1 15 GLU HA 1 18 PHE QD . . 5.480 3.657 3.045 4.407 . 0 0 "[ . 1 . 2]" 1
1402 1 15 GLU HA 1 95 ASN HD21 . . 5.390 4.681 3.629 5.398 0.008 16 0 "[ . 1 . 2]" 1
1403 1 15 GLU HA 1 16 GLU HA . . 5.490 4.843 4.703 4.965 . 0 0 "[ . 1 . 2]" 1
1404 1 15 GLU HA 1 18 PHE HA . . 5.500 5.262 4.750 5.532 0.032 5 0 "[ . 1 . 2]" 1
1405 1 15 GLU HA 1 92 ALA HA . . 5.500 4.876 4.379 5.510 0.010 16 0 "[ . 1 . 2]" 1
1406 1 14 PRO HA 1 15 GLU HA . . 5.190 4.383 4.345 4.430 . 0 0 "[ . 1 . 2]" 1
1407 1 17 GLU HA 1 20 ARG HB3 . . 4.320 4.290 4.172 4.353 0.033 9 0 "[ . 1 . 2]" 1
1408 1 58 VAL HA 1 61 ILE HG13 . . 5.040 3.393 2.116 4.750 . 0 0 "[ . 1 . 2]" 1
1409 1 62 LYS HE3 1 78 LEU HB2 . . 4.130 3.790 2.997 4.123 . 0 0 "[ . 1 . 2]" 1
1410 1 62 LYS HE3 1 78 LEU MD1 . . 4.210 2.711 1.871 4.011 . 0 0 "[ . 1 . 2]" 1
1411 1 79 GLN HG3 1 83 ILE H . . 5.130 3.918 3.387 4.719 . 0 0 "[ . 1 . 2]" 1
1412 1 71 MET HG2 1 76 GLN HA . . 5.500 4.505 4.086 4.971 . 0 0 "[ . 1 . 2]" 1
1413 1 71 MET H 1 71 MET HG2 . . 5.200 4.609 4.568 4.661 . 0 0 "[ . 1 . 2]" 1
1414 1 41 TRP HD1 1 71 MET HG3 . . 5.500 4.091 3.268 5.171 . 0 0 "[ . 1 . 2]" 1
1415 1 41 TRP HZ3 1 71 MET HG3 . . 5.500 4.715 3.187 5.124 . 0 0 "[ . 1 . 2]" 1
1416 1 41 TRP HE3 1 71 MET HG3 . . 4.810 3.785 2.690 4.214 . 0 0 "[ . 1 . 2]" 1
1417 1 71 MET H 1 71 MET HG3 . . 4.980 4.436 4.208 4.520 . 0 0 "[ . 1 . 2]" 1
1418 1 71 MET HG3 1 76 GLN HG2 . . 5.500 5.268 4.874 5.510 0.010 17 0 "[ . 1 . 2]" 1
1419 1 79 GLN HB3 1 80 TYR H . . 4.850 3.896 3.551 4.152 . 0 0 "[ . 1 . 2]" 1
1420 1 9 GLU H 1 9 GLU QB . . 3.550 2.507 2.137 3.316 . 0 0 "[ . 1 . 2]" 1
1421 1 9 GLU QB 1 10 ASP H . . 4.090 3.371 2.353 4.050 . 0 0 "[ . 1 . 2]" 1
1422 1 9 GLU QB 1 12 LEU MD1 . . 3.580 2.579 1.941 3.582 0.002 18 0 "[ . 1 . 2]" 1
1423 1 9 GLU QB 1 83 ILE HG12 . . 4.980 4.580 3.409 4.981 0.001 9 0 "[ . 1 . 2]" 1
1424 1 9 GLU QB 1 83 ILE MD . . 5.170 3.641 2.552 4.592 . 0 0 "[ . 1 . 2]" 1
1425 1 11 SER H 1 11 SER QB . . 3.400 2.513 2.306 3.089 . 0 0 "[ . 1 . 2]" 1
1426 1 11 SER QB 1 12 LEU H . . 4.350 3.942 3.860 4.056 . 0 0 "[ . 1 . 2]" 1
1427 1 12 LEU H 1 12 LEU QB . . 3.230 2.257 2.149 2.419 . 0 0 "[ . 1 . 2]" 1
1428 1 12 LEU HA 1 13 MET QB . . 4.590 4.174 4.051 4.318 . 0 0 "[ . 1 . 2]" 1
1429 1 12 LEU QB 1 12 LEU MD1 . . 2.920 2.023 1.946 2.099 . 0 0 "[ . 1 . 2]" 1
1430 1 12 LEU QB 1 13 MET H . . 3.630 2.778 2.200 3.241 . 0 0 "[ . 1 . 2]" 1
1431 1 12 LEU QB 1 95 ASN QD . . 4.730 3.466 2.783 4.236 . 0 0 "[ . 1 . 2]" 1
1432 1 12 LEU MD2 1 94 TYR QB . . 4.500 4.227 3.411 4.511 0.011 9 0 "[ . 1 . 2]" 1
1433 1 12 LEU MD2 1 95 ASN QB . . 4.020 2.773 2.064 3.359 . 0 0 "[ . 1 . 2]" 1
1434 1 12 LEU MD2 1 95 ASN QD . . 4.770 3.834 2.940 4.486 . 0 0 "[ . 1 . 2]" 1
1435 1 13 MET H 1 13 MET QG . . 3.890 3.522 2.970 3.906 0.016 14 0 "[ . 1 . 2]" 1
1436 1 13 MET H 1 95 ASN QD . . 3.630 3.521 3.026 3.655 0.025 14 0 "[ . 1 . 2]" 1
1437 1 13 MET HA 1 14 PRO QD . . 3.030 2.114 1.990 2.235 . 0 0 "[ . 1 . 2]" 1
1438 1 13 MET QB 1 14 PRO QD . . 3.430 2.338 1.908 3.178 . 0 0 "[ . 1 . 2]" 1
1439 1 13 MET QB 1 95 ASN QD . . 3.800 2.772 1.833 3.797 . 0 0 "[ . 1 . 2]" 1
1440 1 13 MET QG 1 14 PRO QD . . 3.230 2.164 1.789 2.446 . 0 0 "[ . 1 . 2]" 1
1441 1 13 MET QG 1 18 PHE H . . 5.000 4.274 2.773 5.030 0.030 20 0 "[ . 1 . 2]" 1
1442 1 13 MET ME 1 14 PRO QD . . 4.320 3.682 3.122 4.222 . 0 0 "[ . 1 . 2]" 1
1443 1 15 GLU HA 1 18 PHE QB . . 3.680 2.428 2.043 2.719 . 0 0 "[ . 1 . 2]" 1
1444 1 15 GLU HG3 1 18 PHE QB . . 4.760 4.194 3.231 4.739 . 0 0 "[ . 1 . 2]" 1
1445 1 16 GLU H 1 16 GLU QB . . 3.260 2.341 2.149 2.591 . 0 0 "[ . 1 . 2]" 1
1446 1 16 GLU H 1 16 GLU QG . . 3.850 2.815 1.970 3.923 0.073 19 0 "[ . 1 . 2]" 1
1447 1 16 GLU HA 1 16 GLU QG . . 3.490 2.646 2.198 3.381 . 0 0 "[ . 1 . 2]" 1
1448 1 16 GLU HA 1 20 ARG QG . . 4.740 4.562 4.148 4.743 0.003 15 0 "[ . 1 . 2]" 1
1449 1 16 GLU QB 1 17 GLU H . . 3.390 2.364 2.070 3.447 0.057 8 0 "[ . 1 . 2]" 1
1450 1 17 GLU H 1 17 GLU QB . . 3.110 2.333 2.133 2.640 . 0 0 "[ . 1 . 2]" 1
1451 1 17 GLU H 1 17 GLU QG . . 3.930 2.929 1.940 3.977 0.047 11 0 "[ . 1 . 2]" 1
1452 1 17 GLU H 1 18 PHE QB . . 4.560 4.419 4.101 4.595 0.035 4 0 "[ . 1 . 2]" 1
1453 1 17 GLU HA 1 17 GLU QG . . 3.560 2.541 2.170 2.986 . 0 0 "[ . 1 . 2]" 1
1454 1 17 GLU HA 1 20 ARG QG . . 3.750 2.452 1.970 3.167 . 0 0 "[ . 1 . 2]" 1
1455 1 17 GLU QB 1 18 PHE H . . 3.700 2.415 2.167 2.738 . 0 0 "[ . 1 . 2]" 1
1456 1 18 PHE H 1 18 PHE QB . . 3.270 2.262 2.198 2.294 . 0 0 "[ . 1 . 2]" 1
1457 1 18 PHE HA 1 21 ARG QB . . 4.290 2.755 2.514 3.231 . 0 0 "[ . 1 . 2]" 1
1458 1 18 PHE HA 1 22 ASN QD . . 4.030 3.282 2.619 3.857 . 0 0 "[ . 1 . 2]" 1
1459 1 18 PHE QB 1 19 LEU H . . 3.770 2.261 2.002 2.588 . 0 0 "[ . 1 . 2]" 1
1460 1 18 PHE QB 1 92 ALA MB . . 4.160 3.032 2.300 3.472 . 0 0 "[ . 1 . 2]" 1
1461 1 20 ARG H 1 20 ARG QG . . 2.850 2.061 1.890 2.321 . 0 0 "[ . 1 . 2]" 1
1462 1 20 ARG HA 1 20 ARG QG . . 3.640 2.603 2.345 3.011 . 0 0 "[ . 1 . 2]" 1
1463 1 21 ARG H 1 21 ARG QG . . 3.520 2.901 2.165 3.638 0.118 19 0 "[ . 1 . 2]" 1
1464 1 21 ARG H 1 21 ARG QD . . 5.160 4.136 2.351 4.601 . 0 0 "[ . 1 . 2]" 1
1465 1 21 ARG H 1 22 ASN QD . . 4.820 4.122 3.789 4.726 . 0 0 "[ . 1 . 2]" 1
1466 1 21 ARG HA 1 21 ARG QG . . 3.110 2.462 2.169 2.798 . 0 0 "[ . 1 . 2]" 1
1467 1 21 ARG HA 1 21 ARG QD . . 4.560 3.137 2.023 4.238 . 0 0 "[ . 1 . 2]" 1
1468 1 21 ARG QB 1 21 ARG QD . . 2.980 2.186 2.067 2.582 . 0 0 "[ . 1 . 2]" 1
1469 1 21 ARG QB 1 22 ASN H . . 3.830 2.243 1.877 2.552 . 0 0 "[ . 1 . 2]" 1
1470 1 21 ARG QB 1 22 ASN QD . . 3.760 2.493 2.006 3.549 . 0 0 "[ . 1 . 2]" 1
1471 1 22 ASN H 1 22 ASN QD . . 4.150 2.214 1.761 3.163 . 0 0 "[ . 1 . 2]" 1
1472 1 22 ASN H 1 54 LEU QD . . 5.440 5.358 4.814 5.473 0.033 8 0 "[ . 1 . 2]" 1
1473 1 22 ASN QB 1 54 LEU QD . . 3.320 3.152 2.532 3.338 0.018 4 0 "[ . 1 . 2]" 1
1474 1 23 LYS H 1 23 LYS QB . . 3.270 2.498 2.208 3.348 0.078 8 0 "[ . 1 . 2]" 1
1475 1 23 LYS H 1 23 LYS QG . . 4.620 3.210 1.888 4.205 . 0 0 "[ . 1 . 2]" 1
1476 1 23 LYS QB 1 23 LYS QD . . 3.000 2.172 2.030 2.443 . 0 0 "[ . 1 . 2]" 1
1477 1 24 GLY H 1 54 LEU QD . . 4.450 4.150 1.855 4.468 0.018 16 0 "[ . 1 . 2]" 1
1478 1 24 GLY QA 1 26 VAL H . . 4.510 3.281 2.818 3.748 . 0 0 "[ . 1 . 2]" 1
1479 1 24 GLY QA 1 26 VAL QG . . 3.530 2.358 1.935 2.583 . 0 0 "[ . 1 . 2]" 1
1480 1 24 GLY QA 1 54 LEU QD . . 4.410 3.011 2.450 3.617 . 0 0 "[ . 1 . 2]" 1
1481 1 25 PRO QB 1 26 VAL H . . 3.590 2.614 2.063 3.071 . 0 0 "[ . 1 . 2]" 1
1482 1 25 PRO QB 1 51 THR MG . . 4.370 2.409 1.755 3.977 . 0 0 "[ . 1 . 2]" 1
1483 1 25 PRO QB 1 53 PRO HA . . 3.930 3.088 2.471 3.941 0.011 8 0 "[ . 1 . 2]" 1
1484 1 25 PRO QG 1 26 VAL H . . 4.540 4.214 3.766 4.533 . 0 0 "[ . 1 . 2]" 1
1485 1 25 PRO QG 1 51 THR MG . . 4.330 2.721 1.889 4.059 . 0 0 "[ . 1 . 2]" 1
1486 1 26 VAL H 1 26 VAL QG . . 3.380 1.991 1.833 2.280 . 0 0 "[ . 1 . 2]" 1
1487 1 26 VAL HB 1 98 SER QB . . 5.140 3.681 3.421 4.119 . 0 0 "[ . 1 . 2]" 1
1488 1 26 VAL QG 1 27 SER HA . . 4.860 4.006 3.736 4.233 . 0 0 "[ . 1 . 2]" 1
1489 1 26 VAL QG 1 96 MET HB2 . . 4.250 3.698 3.110 4.137 . 0 0 "[ . 1 . 2]" 1
1490 1 26 VAL QG 1 96 MET HB3 . . 4.910 4.076 3.087 4.433 . 0 0 "[ . 1 . 2]" 1
1491 1 26 VAL QG 1 97 ALA H . . 5.440 4.488 4.005 4.844 . 0 0 "[ . 1 . 2]" 1
1492 1 26 VAL QG 1 97 ALA MB . . 5.440 4.289 3.851 4.697 . 0 0 "[ . 1 . 2]" 1
1493 1 26 VAL QG 1 98 SER H . . 3.920 2.831 2.398 3.163 . 0 0 "[ . 1 . 2]" 1
1494 1 26 VAL QG 1 98 SER QB . . 4.740 2.766 2.337 3.581 . 0 0 "[ . 1 . 2]" 1
1495 1 26 VAL QG 1 99 GLY H . . 5.360 4.109 3.758 4.464 . 0 0 "[ . 1 . 2]" 1
1496 1 27 SER H 1 98 SER QB . . 3.690 2.985 2.464 3.392 . 0 0 "[ . 1 . 2]" 1
1497 1 27 SER HA 1 28 ILE QG . . 5.040 3.951 3.702 4.275 . 0 0 "[ . 1 . 2]" 1
1498 1 27 SER QB 1 98 SER QB . . 4.150 3.971 3.594 4.165 0.015 4 0 "[ . 1 . 2]" 1
1499 1 28 ILE H 1 28 ILE QG . . 3.400 2.167 1.975 2.338 . 0 0 "[ . 1 . 2]" 1
1500 1 28 ILE QG 1 28 ILE MG . . 2.960 2.100 1.940 2.259 . 0 0 "[ . 1 . 2]" 1
1501 1 28 ILE QG 1 29 LYS H . . 5.010 3.994 3.506 4.361 . 0 0 "[ . 1 . 2]" 1
1502 1 28 ILE QG 1 50 PHE H . . 4.880 2.855 2.420 3.451 . 0 0 "[ . 1 . 2]" 1
1503 1 28 ILE QG 1 50 PHE QB . . 3.910 3.038 2.218 3.517 . 0 0 "[ . 1 . 2]" 1
1504 1 28 ILE MD 1 50 PHE QB . . 4.480 3.324 2.401 4.020 . 0 0 "[ . 1 . 2]" 1
1505 1 28 ILE MD 1 102 ILE QG . . 3.930 2.157 1.791 2.617 . 0 0 "[ . 1 . 2]" 1
1506 1 29 LYS H 1 29 LYS QG . . 4.280 3.961 3.257 4.162 . 0 0 "[ . 1 . 2]" 1
1507 1 29 LYS H 1 102 ILE QG . . 5.340 3.893 3.468 4.333 . 0 0 "[ . 1 . 2]" 1
1508 1 29 LYS QE 1 29 LYS QG . . 3.100 2.180 2.054 2.459 . 0 0 "[ . 1 . 2]" 1
1509 1 29 LYS QG 1 30 VAL H . . 3.980 2.971 2.602 3.711 . 0 0 "[ . 1 . 2]" 1
1510 1 29 LYS QG 1 49 VAL HA . . 4.260 3.623 3.154 4.007 . 0 0 "[ . 1 . 2]" 1
1511 1 29 LYS QG 1 49 VAL QG . . 2.990 1.884 1.756 2.034 . 0 0 "[ . 1 . 2]" 1
1512 1 29 LYS QD 1 47 GLY QA . . 4.590 3.799 2.992 4.418 . 0 0 "[ . 1 . 2]" 1
1513 1 30 VAL MG1 1 104 LEU QB . . 3.740 2.491 1.987 2.903 . 0 0 "[ . 1 . 2]" 1
1514 1 30 VAL MG1 1 104 LEU QD . . 3.430 2.700 1.946 3.012 . 0 0 "[ . 1 . 2]" 1
1515 1 30 VAL MG2 1 65 ILE QG . . 4.400 3.033 2.733 3.410 . 0 0 "[ . 1 . 2]" 1
1516 1 30 VAL MG2 1 102 ILE QG . . 4.550 3.414 3.071 3.783 . 0 0 "[ . 1 . 2]" 1
1517 1 31 GLN H 1 31 GLN QB . . 3.200 2.234 2.170 2.277 . 0 0 "[ . 1 . 2]" 1
1518 1 31 GLN H 1 31 GLN QG . . 4.630 3.990 3.648 4.079 . 0 0 "[ . 1 . 2]" 1
1519 1 31 GLN QB 1 31 GLN QG . . 2.280 1.982 1.956 2.017 . 0 0 "[ . 1 . 2]" 1
1520 1 31 GLN QB 1 101 VAL MG2 . . 3.350 3.088 2.612 3.354 0.004 17 0 "[ . 1 . 2]" 1
1521 1 31 GLN QB 1 103 HIS HA . . 4.110 2.230 1.939 2.575 . 0 0 "[ . 1 . 2]" 1
1522 1 31 GLN QB 1 104 LEU H . . 4.120 2.450 2.058 3.108 . 0 0 "[ . 1 . 2]" 1
1523 1 31 GLN QG 1 101 VAL MG2 . . 4.570 4.069 3.485 4.477 . 0 0 "[ . 1 . 2]" 1
1524 1 31 GLN QG 1 103 HIS HE1 . . 5.060 4.070 2.801 5.027 . 0 0 "[ . 1 . 2]" 1
1525 1 31 GLN QE 1 32 VAL H . . 4.480 3.469 2.443 4.405 . 0 0 "[ . 1 . 2]" 1
1526 1 32 VAL H 1 104 LEU QB . . 5.340 4.509 3.916 4.652 . 0 0 "[ . 1 . 2]" 1
1527 1 32 VAL HA 1 33 PRO QG . . 4.320 3.772 3.766 3.793 . 0 0 "[ . 1 . 2]" 1
1528 1 32 VAL HA 1 104 LEU QD . . 4.060 2.348 2.157 2.797 . 0 0 "[ . 1 . 2]" 1
1529 1 32 VAL HB 1 33 PRO QD . . 4.630 4.146 3.994 4.250 . 0 0 "[ . 1 . 2]" 1
1530 1 32 VAL HB 1 104 LEU QD . . 4.630 4.544 4.166 4.641 0.011 16 0 "[ . 1 . 2]" 1
1531 1 32 VAL MG1 1 33 PRO QG . . 4.680 3.503 3.308 3.777 . 0 0 "[ . 1 . 2]" 1
1532 1 32 VAL MG1 1 33 PRO QD . . 3.360 2.394 2.029 2.611 . 0 0 "[ . 1 . 2]" 1
1533 1 32 VAL MG1 1 46 GLN QE . . 3.740 2.522 2.079 3.099 . 0 0 "[ . 1 . 2]" 1
1534 1 32 VAL MG1 1 104 LEU QB . . 5.340 4.116 3.309 4.360 . 0 0 "[ . 1 . 2]" 1
1535 1 32 VAL MG1 1 104 LEU QD . . 3.710 2.791 2.219 3.014 . 0 0 "[ . 1 . 2]" 1
1536 1 32 VAL MG2 1 46 GLN QG . . 3.830 2.487 2.228 2.727 . 0 0 "[ . 1 . 2]" 1
1537 1 32 VAL MG2 1 104 LEU QB . . 4.820 3.554 2.775 3.766 . 0 0 "[ . 1 . 2]" 1
1538 1 33 PRO QG 1 43 LEU MD1 . . 4.350 2.818 1.951 3.393 . 0 0 "[ . 1 . 2]" 1
1539 1 33 PRO QG 1 43 LEU MD2 . . 4.520 2.817 2.288 3.189 . 0 0 "[ . 1 . 2]" 1
1540 1 33 PRO QD 1 43 LEU MD2 . . 3.630 2.506 2.067 2.682 . 0 0 "[ . 1 . 2]" 1
1541 1 33 PRO QD 1 104 LEU H . . 4.690 3.598 3.070 3.991 . 0 0 "[ . 1 . 2]" 1
1542 1 33 PRO QD 1 104 LEU QB . . 3.280 2.017 1.846 2.194 . 0 0 "[ . 1 . 2]" 1
1543 1 33 PRO QD 1 104 LEU HG . . 4.110 3.416 2.909 4.147 0.037 10 0 "[ . 1 . 2]" 1
1544 1 33 PRO QD 1 104 LEU QD . . 3.210 2.021 1.798 2.352 . 0 0 "[ . 1 . 2]" 1
1545 1 34 ASN H 1 45 GLY QA . . 4.350 3.685 3.088 4.172 . 0 0 "[ . 1 . 2]" 1
1546 1 34 ASN QB 1 45 GLY H . . 4.520 2.233 1.885 2.695 . 0 0 "[ . 1 . 2]" 1
1547 1 34 ASN QB 1 45 GLY QA . . 3.280 2.526 2.106 2.968 . 0 0 "[ . 1 . 2]" 1
1548 1 35 MET H 1 35 MET QG . . 3.980 3.338 2.927 4.048 0.068 9 0 "[ . 1 . 2]" 1
1549 1 35 MET HA 1 35 MET QG . . 3.640 2.542 2.152 3.030 . 0 0 "[ . 1 . 2]" 1
1550 1 35 MET ME 1 35 MET QG . . 3.560 2.141 1.962 2.310 . 0 0 "[ . 1 . 2]" 1
1551 1 35 MET QG 1 39 THR MG . . 4.560 2.921 1.754 4.073 . 0 0 "[ . 1 . 2]" 1
1552 1 35 MET QG 1 43 LEU HB2 . . 4.760 3.514 3.025 4.310 . 0 0 "[ . 1 . 2]" 1
1553 1 35 MET QG 1 43 LEU MD1 . . 3.700 2.051 1.783 2.635 . 0 0 "[ . 1 . 2]" 1
1554 1 35 MET ME 1 106 LEU QB . . 3.460 2.782 1.869 3.462 0.002 11 0 "[ . 1 . 2]" 1
1555 1 35 MET ME 1 106 LEU QD . . 3.430 2.047 1.841 2.552 . 0 0 "[ . 1 . 2]" 1
1556 1 36 GLN HA 1 36 GLN QE . . 5.180 4.303 2.460 5.006 . 0 0 "[ . 1 . 2]" 1
1557 1 38 LYS H 1 38 LYS QB . . 3.420 2.978 2.507 3.411 . 0 0 "[ . 1 . 2]" 1
1558 1 38 LYS H 1 38 LYS QG . . 5.060 3.796 2.640 4.407 . 0 0 "[ . 1 . 2]" 1
1559 1 38 LYS H 1 38 LYS QD . . 5.340 4.146 3.188 4.730 . 0 0 "[ . 1 . 2]" 1
1560 1 38 LYS HA 1 38 LYS QG . . 3.620 2.641 2.230 3.429 . 0 0 "[ . 1 . 2]" 1
1561 1 38 LYS HA 1 38 LYS QD . . 3.670 2.634 2.002 3.690 0.020 7 0 "[ . 1 . 2]" 1
1562 1 38 LYS QB 1 39 THR H . . 4.360 3.818 2.951 3.990 . 0 0 "[ . 1 . 2]" 1
1563 1 38 LYS QE 1 38 LYS QG . . 3.370 2.197 2.046 2.555 . 0 0 "[ . 1 . 2]" 1
1564 1 40 GLU H 1 40 GLU QG . . 3.860 2.325 1.923 2.884 . 0 0 "[ . 1 . 2]" 1
1565 1 40 GLU HB2 1 40 GLU QG . . 2.630 2.284 2.141 2.437 . 0 0 "[ . 1 . 2]" 1
1566 1 40 GLU QG 1 41 TRP H . . 4.260 3.821 3.638 4.000 . 0 0 "[ . 1 . 2]" 1
1567 1 40 GLU QG 1 41 TRP HE1 . . 3.930 2.703 2.465 2.899 . 0 0 "[ . 1 . 2]" 1
1568 1 41 TRP HB3 1 71 MET QB . . 4.550 2.682 2.246 3.064 . 0 0 "[ . 1 . 2]" 1
1569 1 41 TRP HD1 1 72 PRO QD . . 4.520 3.308 2.893 3.676 . 0 0 "[ . 1 . 2]" 1
1570 1 41 TRP HE3 1 106 LEU QD . . 4.970 3.494 2.657 4.580 . 0 0 "[ . 1 . 2]" 1
1571 1 41 TRP HE1 1 72 PRO QG . . 4.910 3.335 2.915 3.766 . 0 0 "[ . 1 . 2]" 1
1572 1 41 TRP HE1 1 72 PRO QD . . 3.480 2.357 2.010 2.873 . 0 0 "[ . 1 . 2]" 1
1573 1 41 TRP HE1 1 75 LYS QB . . 5.340 5.056 4.111 5.351 0.011 1 0 "[ . 1 . 2]" 1
1574 1 41 TRP HZ3 1 106 LEU QD . . 3.730 2.020 1.721 2.726 . 0 0 "[ . 1 . 2]" 1
1575 1 41 TRP HZ2 1 72 PRO QG . . 4.040 3.319 2.677 3.682 . 0 0 "[ . 1 . 2]" 1
1576 1 41 TRP HZ2 1 72 PRO QD . . 3.720 3.458 2.739 3.704 . 0 0 "[ . 1 . 2]" 1
1577 1 41 TRP HZ2 1 75 LYS QB . . 4.170 3.409 2.843 3.707 . 0 0 "[ . 1 . 2]" 1
1578 1 41 TRP HZ2 1 75 LYS QG . . 4.090 3.641 2.413 4.107 0.017 2 0 "[ . 1 . 2]" 1
1579 1 41 TRP HZ2 1 75 LYS QD . . 4.370 2.592 1.929 4.331 . 0 0 "[ . 1 . 2]" 1
1580 1 41 TRP HZ2 1 75 LYS QE . . 5.000 3.503 1.976 4.644 . 0 0 "[ . 1 . 2]" 1
1581 1 41 TRP HH2 1 75 LYS QB . . 4.100 3.040 2.319 3.500 . 0 0 "[ . 1 . 2]" 1
1582 1 41 TRP HH2 1 75 LYS QG . . 4.330 3.994 3.440 4.338 0.008 17 0 "[ . 1 . 2]" 1
1583 1 41 TRP HH2 1 75 LYS QD . . 3.950 2.492 1.972 3.952 0.002 20 0 "[ . 1 . 2]" 1
1584 1 41 TRP HH2 1 75 LYS QE . . 3.930 3.381 1.889 3.932 0.002 7 0 "[ . 1 . 2]" 1
1585 1 41 TRP HH2 1 106 LEU QD . . 4.110 2.606 1.972 3.436 . 0 0 "[ . 1 . 2]" 1
1586 1 42 LYS H 1 42 LYS QB . . 3.070 2.365 2.237 2.459 . 0 0 "[ . 1 . 2]" 1
1587 1 42 LYS HA 1 42 LYS QG . . 3.580 2.498 2.203 2.819 . 0 0 "[ . 1 . 2]" 1
1588 1 42 LYS QB 1 46 GLN QE . . 3.850 3.283 2.971 3.546 . 0 0 "[ . 1 . 2]" 1
1589 1 42 LYS QB 1 69 THR HA . . 3.350 2.118 1.975 2.426 . 0 0 "[ . 1 . 2]" 1
1590 1 42 LYS QB 1 69 THR HB . . 3.650 2.054 1.981 2.213 . 0 0 "[ . 1 . 2]" 1
1591 1 42 LYS QB 1 69 THR MG . . 3.650 2.199 1.892 2.509 . 0 0 "[ . 1 . 2]" 1
1592 1 42 LYS QG 1 69 THR HA . . 4.550 2.513 1.980 3.228 . 0 0 "[ . 1 . 2]" 1
1593 1 42 LYS QG 1 69 THR HB . . 4.630 3.553 3.090 3.837 . 0 0 "[ . 1 . 2]" 1
1594 1 44 ASN H 1 44 ASN QB . . 3.420 2.635 2.550 2.721 . 0 0 "[ . 1 . 2]" 1
1595 1 44 ASN QB 1 46 GLN H . . 5.340 5.340 5.252 5.370 0.030 19 0 "[ . 1 . 2]" 1
1596 1 46 GLN H 1 46 GLN QG . . 4.030 2.536 2.334 3.132 . 0 0 "[ . 1 . 2]" 1
1597 1 46 GLN HA 1 47 GLY QA . . 4.630 3.942 3.914 3.958 . 0 0 "[ . 1 . 2]" 1
1598 1 46 GLN QB 1 46 GLN QE . . 4.030 3.533 3.296 3.570 . 0 0 "[ . 1 . 2]" 1
1599 1 46 GLN QE 1 46 GLN QG . . 3.090 2.195 2.076 2.225 . 0 0 "[ . 1 . 2]" 1
1600 1 46 GLN QG 1 47 GLY H . . 4.030 3.129 2.825 3.446 . 0 0 "[ . 1 . 2]" 1
1601 1 46 GLN QG 1 48 LEU MD1 . . 5.340 3.901 3.651 4.277 . 0 0 "[ . 1 . 2]" 1
1602 1 46 GLN QG 1 48 LEU MD2 . . 3.830 3.086 2.280 3.474 . 0 0 "[ . 1 . 2]" 1
1603 1 47 GLY QA 1 48 LEU H . . 3.040 2.119 2.112 2.132 . 0 0 "[ . 1 . 2]" 1
1604 1 50 PHE H 1 50 PHE QB . . 3.600 2.864 2.669 2.964 . 0 0 "[ . 1 . 2]" 1
1605 1 50 PHE QB 1 51 THR H . . 4.100 3.221 2.836 3.500 . 0 0 "[ . 1 . 2]" 1
1606 1 50 PHE QB 1 52 LEU HG . . 3.850 3.138 2.724 3.845 . 0 0 "[ . 1 . 2]" 1
1607 1 50 PHE QB 1 52 LEU QD . . 3.250 2.309 1.789 2.802 . 0 0 "[ . 1 . 2]" 1
1608 1 50 PHE QB 1 64 LYS HG3 . . 4.460 3.619 3.098 4.176 . 0 0 "[ . 1 . 2]" 1
1609 1 50 PHE QE 1 65 ILE QG . . 4.130 3.244 2.804 3.575 . 0 0 "[ . 1 . 2]" 1
1610 1 52 LEU H 1 52 LEU QD . . 4.380 3.084 1.771 3.564 . 0 0 "[ . 1 . 2]" 1
1611 1 52 LEU HA 1 52 LEU QD . . 3.360 2.577 2.016 3.403 0.043 16 0 "[ . 1 . 2]" 1
1612 1 52 LEU QB 1 52 LEU QD . . 2.720 1.881 1.771 1.978 . 0 0 "[ . 1 . 2]" 1
1613 1 52 LEU QB 1 53 PRO QD . . 3.630 2.300 2.055 2.576 . 0 0 "[ . 1 . 2]" 1
1614 1 52 LEU QB 1 60 VAL MG2 . . 4.050 3.880 3.456 4.067 0.017 16 0 "[ . 1 . 2]" 1
1615 1 52 LEU QD 1 53 PRO QD . . 3.690 3.170 2.812 3.611 . 0 0 "[ . 1 . 2]" 1
1616 1 52 LEU QD 1 64 LYS HG3 . . 3.730 2.703 1.950 3.314 . 0 0 "[ . 1 . 2]" 1
1617 1 52 LEU QD 1 64 LYS QE . . 3.320 2.324 1.743 3.318 . 0 0 "[ . 1 . 2]" 1
1618 1 54 LEU H 1 54 LEU QB . . 3.280 2.420 2.233 2.601 . 0 0 "[ . 1 . 2]" 1
1619 1 54 LEU H 1 54 LEU QD . . 4.010 2.403 1.884 3.099 . 0 0 "[ . 1 . 2]" 1
1620 1 54 LEU HA 1 54 LEU QD . . 3.220 2.297 1.849 3.174 . 0 0 "[ . 1 . 2]" 1
1621 1 54 LEU HA 1 91 LEU QB . . 3.490 3.338 2.891 3.498 0.008 9 0 "[ . 1 . 2]" 1
1622 1 54 LEU QB 1 92 ALA MB . . 3.890 2.781 1.966 3.389 . 0 0 "[ . 1 . 2]" 1
1623 1 54 LEU QD 1 91 LEU QB . . 3.220 2.032 1.728 2.784 . 0 0 "[ . 1 . 2]" 1
1624 1 54 LEU QD 1 91 LEU MD1 . . 2.920 2.798 2.370 2.936 0.016 2 0 "[ . 1 . 2]" 1
1625 1 54 LEU QD 1 92 ALA HA . . 3.770 3.135 2.296 3.773 0.003 3 0 "[ . 1 . 2]" 1
1626 1 54 LEU QD 1 92 ALA MB . . 4.210 3.487 2.657 3.966 . 0 0 "[ . 1 . 2]" 1
1627 1 56 ASP H 1 56 ASP QB . . 3.590 2.248 2.174 2.399 . 0 0 "[ . 1 . 2]" 1
1628 1 56 ASP QB 1 57 GLN H . . 3.170 1.966 1.904 2.605 . 0 0 "[ . 1 . 2]" 1
1629 1 56 ASP QB 1 57 GLN QG . . 4.750 4.166 3.771 4.661 . 0 0 "[ . 1 . 2]" 1
1630 1 56 ASP QB 1 60 VAL HB . . 4.460 3.817 3.648 4.295 . 0 0 "[ . 1 . 2]" 1
1631 1 56 ASP QB 1 60 VAL MG1 . . 3.450 1.832 1.712 2.277 . 0 0 "[ . 1 . 2]" 1
1632 1 56 ASP QB 1 60 VAL MG2 . . 3.650 2.260 1.989 2.593 . 0 0 "[ . 1 . 2]" 1
1633 1 56 ASP QB 1 91 LEU MD1 . . 3.980 3.870 3.463 4.000 0.020 4 0 "[ . 1 . 2]" 1
1634 1 57 GLN H 1 57 GLN QG . . 3.250 2.543 2.197 3.122 . 0 0 "[ . 1 . 2]" 1
1635 1 57 GLN HA 1 57 GLN QG . . 3.480 2.468 2.331 2.935 . 0 0 "[ . 1 . 2]" 1
1636 1 57 GLN QG 1 58 VAL H . . 4.660 3.707 3.462 4.039 . 0 0 "[ . 1 . 2]" 1
1637 1 57 GLN QG 1 59 SER H . . 4.710 4.508 4.328 4.658 . 0 0 "[ . 1 . 2]" 1
1638 1 57 GLN QG 1 90 SER HA . . 4.710 2.460 1.970 3.936 . 0 0 "[ . 1 . 2]" 1
1639 1 57 GLN QE 1 88 SER HA . . 4.460 4.005 3.446 4.461 0.001 9 0 "[ . 1 . 2]" 1
1640 1 58 VAL HA 1 61 ILE QG . . 4.300 3.063 1.948 4.055 . 0 0 "[ . 1 . 2]" 1
1641 1 58 VAL MG1 1 62 LYS QG . . 4.220 2.780 2.105 3.540 . 0 0 "[ . 1 . 2]" 1
1642 1 58 VAL MG1 1 62 LYS QE . . 4.130 2.816 2.347 3.347 . 0 0 "[ . 1 . 2]" 1
1643 1 59 SER H 1 59 SER QB . . 3.160 2.454 2.217 2.805 . 0 0 "[ . 1 . 2]" 1
1644 1 59 SER HA 1 62 LYS QB . . 4.270 3.103 2.507 3.946 . 0 0 "[ . 1 . 2]" 1
1645 1 59 SER HA 1 62 LYS QG . . 4.460 2.925 2.242 4.070 . 0 0 "[ . 1 . 2]" 1
1646 1 59 SER HA 1 87 ASP QB . . 3.980 2.317 2.058 2.537 . 0 0 "[ . 1 . 2]" 1
1647 1 59 SER QB 1 87 ASP QB . . 3.040 2.010 1.869 2.316 . 0 0 "[ . 1 . 2]" 1
1648 1 61 ILE H 1 61 ILE QG . . 3.370 2.596 1.888 3.372 0.002 5 0 "[ . 1 . 2]" 1
1649 1 61 ILE HA 1 61 ILE QG . . 3.550 2.398 2.164 2.994 . 0 0 "[ . 1 . 2]" 1
1650 1 61 ILE MG 1 62 LYS QG . . 4.140 3.660 3.161 3.989 . 0 0 "[ . 1 . 2]" 1
1651 1 61 ILE QG 1 91 LEU MD2 . . 3.760 3.052 2.472 3.671 . 0 0 "[ . 1 . 2]" 1
1652 1 62 LYS H 1 62 LYS QB . . 3.580 2.436 2.231 2.549 . 0 0 "[ . 1 . 2]" 1
1653 1 62 LYS H 1 62 LYS QG . . 3.390 2.332 2.076 2.833 . 0 0 "[ . 1 . 2]" 1
1654 1 62 LYS HA 1 76 GLN QE . . 4.730 3.197 2.317 4.097 . 0 0 "[ . 1 . 2]" 1
1655 1 62 LYS QB 1 62 LYS QD . . 3.260 2.083 1.993 2.228 . 0 0 "[ . 1 . 2]" 1
1656 1 62 LYS QB 1 63 VAL H . . 3.570 2.489 2.212 2.743 . 0 0 "[ . 1 . 2]" 1
1657 1 62 LYS QB 1 65 ILE MD . . 4.520 3.668 3.103 4.202 . 0 0 "[ . 1 . 2]" 1
1658 1 62 LYS QB 1 73 ALA HA . . 3.550 2.696 2.400 2.882 . 0 0 "[ . 1 . 2]" 1
1659 1 62 LYS QB 1 73 ALA MB . . 3.240 2.025 1.755 2.336 . 0 0 "[ . 1 . 2]" 1
1660 1 62 LYS QB 1 76 GLN QE . . 4.480 2.961 2.102 4.020 . 0 0 "[ . 1 . 2]" 1
1661 1 62 LYS QB 1 78 LEU MD1 . . 4.020 3.800 3.497 4.026 0.006 19 0 "[ . 1 . 2]" 1
1662 1 62 LYS QE 1 62 LYS QG . . 2.980 2.136 2.051 2.297 . 0 0 "[ . 1 . 2]" 1
1663 1 62 LYS QG 1 65 ILE MD . . 4.760 3.311 2.859 4.102 . 0 0 "[ . 1 . 2]" 1
1664 1 62 LYS QG 1 78 LEU MD1 . . 3.890 2.068 1.777 2.683 . 0 0 "[ . 1 . 2]" 1
1665 1 62 LYS QD 1 74 GLY QA . . 5.190 3.923 3.050 4.826 . 0 0 "[ . 1 . 2]" 1
1666 1 62 LYS QE 1 78 LEU HB2 . . 3.590 3.368 2.914 3.592 0.002 2 0 "[ . 1 . 2]" 1
1667 1 62 LYS QE 1 78 LEU HG . . 4.450 2.367 1.950 3.081 . 0 0 "[ . 1 . 2]" 1
1668 1 62 LYS QE 1 78 LEU MD1 . . 3.690 2.430 1.831 3.122 . 0 0 "[ . 1 . 2]" 1
1669 1 63 VAL MG2 1 67 GLU QG . . 4.260 3.664 2.393 4.267 0.007 18 0 "[ . 1 . 2]" 1
1670 1 64 LYS H 1 64 LYS QD . . 4.660 3.824 3.571 4.276 . 0 0 "[ . 1 . 2]" 1
1671 1 64 LYS HA 1 64 LYS QD . . 3.090 2.409 2.048 3.118 0.028 4 0 "[ . 1 . 2]" 1
1672 1 64 LYS HA 1 67 GLU QG . . 4.280 3.549 3.035 4.032 . 0 0 "[ . 1 . 2]" 1
1673 1 64 LYS QE 1 64 LYS HG2 . . 3.390 2.632 2.061 3.301 . 0 0 "[ . 1 . 2]" 1
1674 1 64 LYS QE 1 64 LYS HG3 . . 3.700 2.596 2.136 3.464 . 0 0 "[ . 1 . 2]" 1
1675 1 65 ILE H 1 65 ILE QG . . 3.120 1.981 1.884 2.138 . 0 0 "[ . 1 . 2]" 1
1676 1 65 ILE H 1 76 GLN QE . . 4.710 4.143 3.811 4.431 . 0 0 "[ . 1 . 2]" 1
1677 1 65 ILE HA 1 65 ILE QG . . 2.970 2.439 2.372 2.492 . 0 0 "[ . 1 . 2]" 1
1678 1 65 ILE HB 1 76 GLN QE . . 3.750 1.949 1.874 2.178 . 0 0 "[ . 1 . 2]" 1
1679 1 65 ILE MG 1 71 MET QB . . 3.960 2.348 2.110 2.759 . 0 0 "[ . 1 . 2]" 1
1680 1 65 ILE MD 1 76 GLN QE . . 4.470 2.203 1.825 2.748 . 0 0 "[ . 1 . 2]" 1
1681 1 66 HIS H 1 76 GLN QE . . 3.570 3.089 2.590 3.537 . 0 0 "[ . 1 . 2]" 1
1682 1 66 HIS HA 1 76 GLN QE . . 5.310 4.298 3.691 4.702 . 0 0 "[ . 1 . 2]" 1
1683 1 66 HIS HB2 1 76 GLN QE . . 4.440 3.632 2.852 4.116 . 0 0 "[ . 1 . 2]" 1
1684 1 66 HIS HD2 1 72 PRO QG . . 5.350 4.931 4.516 5.311 . 0 0 "[ . 1 . 2]" 1
1685 1 67 GLU H 1 67 GLU QG . . 3.810 3.455 2.769 3.825 0.015 17 0 "[ . 1 . 2]" 1
1686 1 67 GLU HA 1 67 GLU QG . . 3.480 2.541 2.283 2.820 . 0 0 "[ . 1 . 2]" 1
1687 1 67 GLU QG 1 68 ALA H . . 4.720 4.205 3.988 4.475 . 0 0 "[ . 1 . 2]" 1
1688 1 69 THR HB 1 71 MET QB . . 5.020 3.232 3.157 3.361 . 0 0 "[ . 1 . 2]" 1
1689 1 71 MET HA 1 72 PRO QG . . 4.530 3.841 3.798 3.869 . 0 0 "[ . 1 . 2]" 1
1690 1 71 MET QB 1 72 PRO QD . . 4.070 3.336 3.264 3.465 . 0 0 "[ . 1 . 2]" 1
1691 1 71 MET QB 1 76 GLN QE . . 4.750 3.345 2.393 3.975 . 0 0 "[ . 1 . 2]" 1
1692 1 71 MET HG2 1 72 PRO QG . . 4.100 3.530 3.322 3.778 . 0 0 "[ . 1 . 2]" 1
1693 1 71 MET HG2 1 72 PRO QD . . 3.570 2.397 2.191 2.636 . 0 0 "[ . 1 . 2]" 1
1694 1 71 MET HG2 1 76 GLN QE . . 5.270 3.642 2.039 4.539 . 0 0 "[ . 1 . 2]" 1
1695 1 71 MET HG3 1 72 PRO QD . . 4.110 2.118 1.978 2.496 . 0 0 "[ . 1 . 2]" 1
1696 1 71 MET ME 1 75 LYS QB . . 3.820 3.188 2.429 3.680 . 0 0 "[ . 1 . 2]" 1
1697 1 71 MET ME 1 106 LEU QD . . 3.240 2.702 1.815 3.225 . 0 0 "[ . 1 . 2]" 1
1698 1 72 PRO QG 1 73 ALA H . . 4.510 4.355 4.238 4.471 . 0 0 "[ . 1 . 2]" 1
1699 1 72 PRO QG 1 75 LYS H . . 4.150 2.658 2.399 3.096 . 0 0 "[ . 1 . 2]" 1
1700 1 72 PRO QG 1 75 LYS QB . . 3.690 2.173 1.961 2.667 . 0 0 "[ . 1 . 2]" 1
1701 1 72 PRO QG 1 75 LYS QG . . 3.750 2.986 2.142 3.752 0.002 9 0 "[ . 1 . 2]" 1
1702 1 72 PRO QD 1 75 LYS QB . . 4.260 3.363 2.923 3.816 . 0 0 "[ . 1 . 2]" 1
1703 1 73 ALA MB 1 76 GLN QE . . 4.540 3.307 2.893 3.950 . 0 0 "[ . 1 . 2]" 1
1704 1 74 GLY H 1 76 GLN QE . . 5.070 3.815 3.179 4.170 . 0 0 "[ . 1 . 2]" 1
1705 1 74 GLY QA 1 76 GLN H . . 5.340 4.121 3.813 4.518 . 0 0 "[ . 1 . 2]" 1
1706 1 75 LYS H 1 75 LYS QB . . 3.150 2.277 2.152 2.460 . 0 0 "[ . 1 . 2]" 1
1707 1 75 LYS H 1 75 LYS QG . . 3.170 2.620 2.189 2.916 . 0 0 "[ . 1 . 2]" 1
1708 1 75 LYS H 1 75 LYS QD . . 5.330 4.175 3.796 4.523 . 0 0 "[ . 1 . 2]" 1
1709 1 75 LYS HA 1 75 LYS QD . . 4.110 3.528 2.233 4.106 . 0 0 "[ . 1 . 2]" 1
1710 1 75 LYS HA 1 107 LYS QB . . 4.580 2.887 1.985 3.560 . 0 0 "[ . 1 . 2]" 1
1711 1 75 LYS QB 1 75 LYS QD . . 3.100 2.184 2.008 2.528 . 0 0 "[ . 1 . 2]" 1
1712 1 75 LYS QB 1 75 LYS QE . . 3.800 2.926 1.958 3.684 . 0 0 "[ . 1 . 2]" 1
1713 1 75 LYS QB 1 76 GLN H . . 3.670 2.558 2.298 2.773 . 0 0 "[ . 1 . 2]" 1
1714 1 75 LYS QB 1 106 LEU QD . . 3.960 3.075 2.281 3.869 . 0 0 "[ . 1 . 2]" 1
1715 1 75 LYS QE 1 75 LYS QG . . 3.330 2.244 2.071 2.560 . 0 0 "[ . 1 . 2]" 1
1716 1 76 GLN H 1 104 LEU QD . . 5.090 4.669 4.205 4.929 . 0 0 "[ . 1 . 2]" 1
1717 1 76 GLN HA 1 104 LEU QD . . 3.740 3.225 2.282 3.756 0.016 14 0 "[ . 1 . 2]" 1
1718 1 76 GLN QB 1 104 LEU QD . . 3.520 1.900 1.759 2.184 . 0 0 "[ . 1 . 2]" 1
1719 1 76 GLN HG2 1 104 LEU QD . . 4.160 4.115 3.900 4.225 0.065 10 0 "[ . 1 . 2]" 1
1720 1 76 GLN HG3 1 104 LEU QD . . 3.670 3.443 3.017 3.676 0.006 2 0 "[ . 1 . 2]" 1
1721 1 77 LYS H 1 77 LYS QG . . 4.940 4.084 3.963 4.167 . 0 0 "[ . 1 . 2]" 1
1722 1 77 LYS H 1 104 LEU QD . . 3.580 2.946 2.203 3.576 . 0 0 "[ . 1 . 2]" 1
1723 1 77 LYS H 1 107 LYS QB . . 5.280 4.246 3.441 4.981 . 0 0 "[ . 1 . 2]" 1
1724 1 77 LYS HB3 1 77 LYS QE . . 4.270 2.840 1.984 3.885 . 0 0 "[ . 1 . 2]" 1
1725 1 77 LYS QE 1 77 LYS QG . . 3.300 2.289 2.054 2.918 . 0 0 "[ . 1 . 2]" 1
1726 1 77 LYS QG 1 78 LEU H . . 3.610 3.063 2.302 3.349 . 0 0 "[ . 1 . 2]" 1
1727 1 77 LYS QG 1 84 PHE QD . . 3.790 2.436 1.966 2.734 . 0 0 "[ . 1 . 2]" 1
1728 1 77 LYS QE 1 84 PHE QD . . 4.060 3.137 2.000 4.090 0.030 5 0 "[ . 1 . 2]" 1
1729 1 77 LYS QE 1 105 ALA MB . . 4.230 3.686 2.885 4.236 0.006 1 0 "[ . 1 . 2]" 1
1730 1 77 LYS QE 1 107 LYS HA . . 5.030 3.180 1.946 4.735 . 0 0 "[ . 1 . 2]" 1
1731 1 78 LEU MD2 1 104 LEU QB . . 4.210 3.506 2.964 3.936 . 0 0 "[ . 1 . 2]" 1
1732 1 78 LEU MD2 1 104 LEU QD . . 2.750 2.117 1.765 2.765 0.015 19 0 "[ . 1 . 2]" 1
1733 1 79 GLN H 1 103 HIS QB . . 4.140 3.645 3.153 3.991 . 0 0 "[ . 1 . 2]" 1
1734 1 79 GLN HA 1 79 GLN QG . . 3.640 2.310 2.126 2.409 . 0 0 "[ . 1 . 2]" 1
1735 1 79 GLN HB2 1 79 GLN QE . . 4.400 3.413 2.185 4.106 . 0 0 "[ . 1 . 2]" 1
1736 1 79 GLN HB2 1 103 HIS QB . . 4.610 3.686 3.286 4.203 . 0 0 "[ . 1 . 2]" 1
1737 1 79 GLN QG 1 82 GLY H . . 3.750 2.902 2.196 3.350 . 0 0 "[ . 1 . 2]" 1
1738 1 79 GLN QG 1 82 GLY QA . . 4.500 2.898 2.379 3.205 . 0 0 "[ . 1 . 2]" 1
1739 1 79 GLN QG 1 83 ILE H . . 4.400 2.824 2.038 3.757 . 0 0 "[ . 1 . 2]" 1
1740 1 79 GLN QG 1 84 PHE HA . . 5.340 2.990 1.945 3.591 . 0 0 "[ . 1 . 2]" 1
1741 1 79 GLN QG 1 84 PHE QD . . 4.200 3.192 3.001 3.391 . 0 0 "[ . 1 . 2]" 1
1742 1 79 GLN QE 1 82 GLY QA . . 4.380 3.102 2.036 4.401 0.021 15 0 "[ . 1 . 2]" 1
1743 1 79 GLN QE 1 84 PHE QE . . 4.260 3.140 2.032 4.156 . 0 0 "[ . 1 . 2]" 1
1744 1 80 TYR HB2 1 102 ILE QG . . 4.220 4.055 3.859 4.216 . 0 0 "[ . 1 . 2]" 1
1745 1 80 TYR QD 1 81 GLU QB . . 3.800 3.437 2.963 3.673 . 0 0 "[ . 1 . 2]" 1
1746 1 80 TYR QD 1 81 GLU QG . . 4.210 2.999 2.405 3.876 . 0 0 "[ . 1 . 2]" 1
1747 1 80 TYR QD 1 94 TYR QB . . 3.750 3.373 2.546 3.678 . 0 0 "[ . 1 . 2]" 1
1748 1 80 TYR QD 1 102 ILE QG . . 4.600 4.532 4.027 4.604 0.004 9 0 "[ . 1 . 2]" 1
1749 1 80 TYR QE 1 81 GLU QB . . 4.340 3.533 2.904 3.900 . 0 0 "[ . 1 . 2]" 1
1750 1 80 TYR QE 1 94 TYR QB . . 3.690 2.878 2.609 3.152 . 0 0 "[ . 1 . 2]" 1
1751 1 81 GLU H 1 81 GLU QB . . 3.670 3.206 2.918 3.339 . 0 0 "[ . 1 . 2]" 1
1752 1 81 GLU H 1 81 GLU QG . . 3.740 2.877 2.567 3.753 0.013 5 0 "[ . 1 . 2]" 1
1753 1 81 GLU QB 1 83 ILE H . . 4.780 3.865 3.369 4.403 . 0 0 "[ . 1 . 2]" 1
1754 1 81 GLU QB 1 83 ILE MD . . 4.300 2.893 2.372 3.801 . 0 0 "[ . 1 . 2]" 1
1755 1 84 PHE H 1 84 PHE QB . . 3.370 2.353 2.198 2.507 . 0 0 "[ . 1 . 2]" 1
1756 1 85 ILE MD 1 102 ILE QG . . 5.030 3.472 2.744 3.972 . 0 0 "[ . 1 . 2]" 1
1757 1 86 LYS H 1 86 LYS QB . . 3.510 2.440 2.180 3.032 . 0 0 "[ . 1 . 2]" 1
1758 1 86 LYS H 1 89 ASN QD . . 5.110 2.805 1.754 3.787 . 0 0 "[ . 1 . 2]" 1
1759 1 86 LYS QB 1 87 ASP H . . 3.870 2.453 2.182 3.062 . 0 0 "[ . 1 . 2]" 1
1760 1 86 LYS QB 1 88 SER H . . 3.770 2.402 2.160 2.626 . 0 0 "[ . 1 . 2]" 1
1761 1 86 LYS QB 1 89 ASN QD . . 3.540 2.207 1.872 3.451 . 0 0 "[ . 1 . 2]" 1
1762 1 86 LYS QD 1 89 ASN QD . . 3.760 3.291 2.766 3.764 0.004 6 0 "[ . 1 . 2]" 1
1763 1 87 ASP QB 1 88 SER H . . 3.840 3.420 3.155 3.699 . 0 0 "[ . 1 . 2]" 1
1764 1 87 ASP QB 1 88 SER HA . . 5.340 4.099 3.946 4.317 . 0 0 "[ . 1 . 2]" 1
1765 1 88 SER H 1 88 SER QB . . 3.460 2.330 2.207 2.574 . 0 0 "[ . 1 . 2]" 1
1766 1 88 SER HA 1 89 ASN QD . . 5.340 4.860 4.472 5.343 0.003 7 0 "[ . 1 . 2]" 1
1767 1 88 SER QB 1 89 ASN H . . 4.080 2.995 2.707 3.580 . 0 0 "[ . 1 . 2]" 1
1768 1 89 ASN H 1 89 ASN QB . . 3.130 2.443 2.223 2.995 . 0 0 "[ . 1 . 2]" 1
1769 1 89 ASN H 1 89 ASN QD . . 4.930 2.233 1.778 2.848 . 0 0 "[ . 1 . 2]" 1
1770 1 89 ASN QB 1 90 SER H . . 3.610 2.848 2.338 3.154 . 0 0 "[ . 1 . 2]" 1
1771 1 89 ASN QB 1 93 TYR HB3 . . 4.250 4.101 3.706 4.256 0.006 4 0 "[ . 1 . 2]" 1
1772 1 90 SER H 1 90 SER QB . . 3.450 2.471 2.191 2.777 . 0 0 "[ . 1 . 2]" 1
1773 1 90 SER HA 1 91 LEU QB . . 5.340 4.473 4.275 4.679 . 0 0 "[ . 1 . 2]" 1
1774 1 90 SER QB 1 91 LEU H . . 3.360 2.767 2.326 3.388 0.028 4 0 "[ . 1 . 2]" 1
1775 1 90 SER QB 1 92 ALA H . . 4.220 3.331 2.873 4.162 . 0 0 "[ . 1 . 2]" 1
1776 1 90 SER QB 1 93 TYR H . . 4.390 2.733 2.403 3.588 . 0 0 "[ . 1 . 2]" 1
1777 1 91 LEU H 1 91 LEU QB . . 3.260 2.328 2.156 2.553 . 0 0 "[ . 1 . 2]" 1
1778 1 91 LEU HA 1 94 TYR QB . . 5.020 3.255 3.000 3.546 . 0 0 "[ . 1 . 2]" 1
1779 1 91 LEU QB 1 91 LEU MD1 . . 2.990 2.030 1.938 2.104 . 0 0 "[ . 1 . 2]" 1
1780 1 91 LEU QB 1 91 LEU MD2 . . 3.230 2.086 1.933 2.244 . 0 0 "[ . 1 . 2]" 1
1781 1 91 LEU QB 1 92 ALA H . . 3.830 2.343 2.068 2.710 . 0 0 "[ . 1 . 2]" 1
1782 1 94 TYR H 1 94 TYR QB . . 3.370 2.326 2.181 2.438 . 0 0 "[ . 1 . 2]" 1
1783 1 94 TYR QB 1 96 MET HG2 . . 4.780 3.150 2.745 3.691 . 0 0 "[ . 1 . 2]" 1
1784 1 94 TYR QB 1 96 MET HG3 . . 3.200 2.425 2.226 2.706 . 0 0 "[ . 1 . 2]" 1
1785 1 94 TYR QB 1 96 MET ME . . 3.350 2.583 2.147 3.268 . 0 0 "[ . 1 . 2]" 1
1786 1 95 ASN H 1 95 ASN QD . . 3.640 2.947 2.248 3.639 . 0 0 "[ . 1 . 2]" 1
1787 1 95 ASN HA 1 95 ASN QD . . 3.830 2.797 1.918 3.534 . 0 0 "[ . 1 . 2]" 1
1788 1 95 ASN QB 1 96 MET HA . . 5.340 4.417 4.354 4.479 . 0 0 "[ . 1 . 2]" 1
1789 1 97 ALA MB 1 98 SER QB . . 4.530 4.232 3.906 4.541 0.011 2 0 "[ . 1 . 2]" 1
1790 1 98 SER H 1 98 SER QB . . 3.140 2.415 2.158 2.609 . 0 0 "[ . 1 . 2]" 1
1791 1 98 SER QB 1 99 GLY H . . 3.650 2.450 2.115 3.448 . 0 0 "[ . 1 . 2]" 1
1792 1 103 HIS H 1 103 HIS QB . . 3.140 2.419 2.238 2.556 . 0 0 "[ . 1 . 2]" 1
1793 1 104 LEU H 1 104 LEU QB . . 3.080 2.289 2.231 2.343 . 0 0 "[ . 1 . 2]" 1
1794 1 104 LEU H 1 104 LEU QD . . 4.270 3.725 3.620 3.785 . 0 0 "[ . 1 . 2]" 1
1795 1 104 LEU HA 1 104 LEU QD . . 3.640 2.199 1.864 2.884 . 0 0 "[ . 1 . 2]" 1
1796 1 104 LEU QB 1 105 ALA H . . 3.610 3.602 3.526 3.645 0.035 16 0 "[ . 1 . 2]" 1
1797 1 104 LEU QD 1 105 ALA H . . 3.310 2.406 1.801 2.789 . 0 0 "[ . 1 . 2]" 1
1798 1 105 ALA MB 1 106 LEU QB . . 5.160 4.224 3.909 4.548 . 0 0 "[ . 1 . 2]" 1
1799 1 106 LEU H 1 106 LEU QD . . 4.370 3.519 2.307 3.862 . 0 0 "[ . 1 . 2]" 1
1800 1 106 LEU HA 1 106 LEU QD . . 3.560 2.256 1.875 2.653 . 0 0 "[ . 1 . 2]" 1
1801 1 106 LEU HA 1 107 LYS QB . . 5.210 4.082 4.030 4.134 . 0 0 "[ . 1 . 2]" 1
1802 1 106 LEU QB 1 106 LEU QD . . 2.850 1.933 1.868 2.089 . 0 0 "[ . 1 . 2]" 1
1803 1 106 LEU QB 1 107 LYS H . . 4.210 3.511 2.838 3.886 . 0 0 "[ . 1 . 2]" 1
1804 1 106 LEU QB 1 107 LYS HA . . 5.340 4.766 4.489 5.138 . 0 0 "[ . 1 . 2]" 1
1805 1 106 LEU QD 1 107 LYS H . . 3.700 2.532 2.032 2.950 . 0 0 "[ . 1 . 2]" 1
1806 1 107 LYS HA 1 107 LYS QG . . 3.050 2.401 2.267 2.555 . 0 0 "[ . 1 . 2]" 1
1807 1 107 LYS QB 1 107 LYS QG . . 2.350 2.077 2.020 2.088 . 0 0 "[ . 1 . 2]" 1
1808 1 107 LYS QB 1 107 LYS QD . . 3.420 2.161 2.069 2.322 . 0 0 "[ . 1 . 2]" 1
1809 1 107 LYS QB 1 108 GLU H . . 4.410 3.640 3.430 3.862 . 0 0 "[ . 1 . 2]" 1
1810 1 108 GLU H 1 108 GLU QB . . 3.540 2.393 2.227 2.829 . 0 0 "[ . 1 . 2]" 1
1811 1 108 GLU H 1 108 GLU QG . . 4.530 3.099 1.885 4.082 . 0 0 "[ . 1 . 2]" 1
1812 1 108 GLU QG 1 109 ARG H . . 5.200 3.968 2.459 4.852 . 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 4
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 20.299
_Distance_constraint_stats_list.Viol_max 0.041
_Distance_constraint_stats_list.Viol_rms 0.0138
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0127
_Distance_constraint_stats_list.Viol_average_violations_only 0.0254
_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 30 VAL 0.423 0.030 4 0 "[ . 1 . 2]"
1 32 VAL 0.592 0.041 19 0 "[ . 1 . 2]"
1 46 GLN 0.592 0.041 19 0 "[ . 1 . 2]"
1 48 LEU 0.423 0.030 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 30 VAL O 1 48 LEU H . . 2.000 2.021 2.012 2.030 0.030 4 0 "[ . 1 . 2]" 2
2 1 30 VAL O 1 48 LEU N . . 3.000 2.980 2.972 2.987 . 0 0 "[ . 1 . 2]" 2
3 1 32 VAL O 1 46 GLN H . . 2.000 2.030 2.018 2.041 0.041 19 0 "[ . 1 . 2]" 2
4 1 32 VAL O 1 46 GLN N . . 3.000 2.972 2.959 2.979 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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