NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451747 |
2rpc   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rpc
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 2522
_Distance_constraint_stats_list.Viol_count 848
_Distance_constraint_stats_list.Viol_total 204.537
_Distance_constraint_stats_list.Viol_max 0.279
_Distance_constraint_stats_list.Viol_rms 0.0035
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0121
_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 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.033 0.024 20 0 "[ . 1 . 2]"
1 13 GLU 0.128 0.056 12 0 "[ . 1 . 2]"
1 14 LEU 0.020 0.007 12 0 "[ . 1 . 2]"
1 15 SER 0.015 0.011 20 0 "[ . 1 . 2]"
1 16 CYS 0.005 0.005 1 0 "[ . 1 . 2]"
1 17 LYS 0.068 0.020 15 0 "[ . 1 . 2]"
1 18 TRP 0.063 0.009 20 0 "[ . 1 . 2]"
1 19 ILE 0.184 0.032 15 0 "[ . 1 . 2]"
1 20 ASP 0.019 0.009 15 0 "[ . 1 . 2]"
1 21 GLU 0.055 0.009 20 0 "[ . 1 . 2]"
1 22 ALA 0.090 0.025 14 0 "[ . 1 . 2]"
1 23 GLN 0.206 0.025 14 0 "[ . 1 . 2]"
1 24 LEU 0.005 0.005 15 0 "[ . 1 . 2]"
1 25 SER 0.171 0.018 17 0 "[ . 1 . 2]"
1 26 ARG 0.084 0.017 11 0 "[ . 1 . 2]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.118 0.032 15 0 "[ . 1 . 2]"
1 29 LYS 0.109 0.018 17 0 "[ . 1 . 2]"
1 30 SER 0.017 0.005 15 0 "[ . 1 . 2]"
1 31 CYS 0.062 0.012 1 0 "[ . 1 . 2]"
1 33 ARG 0.025 0.020 20 0 "[ . 1 . 2]"
1 34 THR 0.030 0.020 20 0 "[ . 1 . 2]"
1 35 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 MET 0.013 0.011 18 0 "[ . 1 . 2]"
1 39 HIS 0.016 0.005 16 0 "[ . 1 . 2]"
1 40 GLU 0.001 0.001 6 0 "[ . 1 . 2]"
1 41 LEU 0.005 0.005 1 0 "[ . 1 . 2]"
1 42 VAL 0.011 0.004 6 0 "[ . 1 . 2]"
1 43 THR 0.304 0.035 13 0 "[ . 1 . 2]"
1 44 HIS 0.156 0.019 14 0 "[ . 1 . 2]"
1 45 VAL 0.024 0.009 1 0 "[ . 1 . 2]"
1 46 THR 0.011 0.006 1 0 "[ . 1 . 2]"
1 47 MET 0.562 0.084 1 0 "[ . 1 . 2]"
1 48 GLU 0.266 0.026 13 0 "[ . 1 . 2]"
1 49 HIS 0.439 0.031 6 0 "[ . 1 . 2]"
1 50 VAL 0.653 0.031 6 0 "[ . 1 . 2]"
1 51 GLY 0.195 0.016 7 0 "[ . 1 . 2]"
1 52 GLY 0.025 0.010 1 0 "[ . 1 . 2]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.002 0.002 8 0 "[ . 1 . 2]"
1 55 GLN 0.111 0.049 2 0 "[ . 1 . 2]"
1 56 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 HIS 0.001 0.001 3 0 "[ . 1 . 2]"
1 59 VAL 0.040 0.014 20 0 "[ . 1 . 2]"
1 60 CYS 0.012 0.012 18 0 "[ . 1 . 2]"
1 61 TYR 0.020 0.009 14 0 "[ . 1 . 2]"
1 62 TRP 0.251 0.028 20 0 "[ . 1 . 2]"
1 63 GLU 0.572 0.060 4 0 "[ . 1 . 2]"
1 64 GLU 0.569 0.208 15 0 "[ . 1 . 2]"
1 65 CYS 0.356 0.054 18 0 "[ . 1 . 2]"
1 66 PRO 0.176 0.017 16 0 "[ . 1 . 2]"
1 67 ARG 0.380 0.103 20 0 "[ . 1 . 2]"
1 68 GLU 0.146 0.029 10 0 "[ . 1 . 2]"
1 69 GLY 0.008 0.004 18 0 "[ . 1 . 2]"
1 70 LYS 0.381 0.064 20 0 "[ . 1 . 2]"
1 71 SER 0.015 0.008 20 0 "[ . 1 . 2]"
1 72 PHE 0.067 0.019 20 0 "[ . 1 . 2]"
1 73 LYS 0.041 0.016 17 0 "[ . 1 . 2]"
1 74 ALA 0.001 0.001 20 0 "[ . 1 . 2]"
1 75 LYS 0.008 0.003 1 0 "[ . 1 . 2]"
1 76 TYR 0.122 0.119 18 0 "[ . 1 . 2]"
1 77 LYS 0.336 0.173 18 0 "[ . 1 . 2]"
1 78 LEU 0.024 0.013 17 0 "[ . 1 . 2]"
1 79 VAL 0.027 0.007 10 0 "[ . 1 . 2]"
1 80 ASN 0.092 0.045 17 0 "[ . 1 . 2]"
1 81 HIS 0.224 0.020 17 0 "[ . 1 . 2]"
1 82 ILE 0.106 0.020 17 0 "[ . 1 . 2]"
1 83 ARG 0.818 0.279 17 0 "[ . 1 . 2]"
1 84 VAL 0.075 0.020 10 0 "[ . 1 . 2]"
1 85 HIS 0.577 0.067 10 0 "[ . 1 . 2]"
1 86 THR 0.939 0.154 16 0 "[ . 1 . 2]"
1 87 GLY 0.230 0.108 14 0 "[ . 1 . 2]"
1 88 GLU 0.719 0.154 16 0 "[ . 1 . 2]"
1 89 LYS 0.176 0.052 18 0 "[ . 1 . 2]"
1 90 PRO 0.017 0.014 10 0 "[ . 1 . 2]"
1 91 PHE 0.328 0.094 18 0 "[ . 1 . 2]"
1 92 PRO 0.026 0.008 10 0 "[ . 1 . 2]"
1 93 CYS 0.100 0.012 13 0 "[ . 1 . 2]"
1 94 PRO 0.041 0.014 18 0 "[ . 1 . 2]"
1 95 PHE 0.884 0.060 20 0 "[ . 1 . 2]"
1 96 PRO 0.782 0.060 20 0 "[ . 1 . 2]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 CYS 0.065 0.010 10 0 "[ . 1 . 2]"
1 99 GLY 0.025 0.010 10 0 "[ . 1 . 2]"
1 100 LYS 0.163 0.016 13 0 "[ . 1 . 2]"
1 101 ILE 0.056 0.008 10 0 "[ . 1 . 2]"
1 102 PHE 0.157 0.016 13 0 "[ . 1 . 2]"
1 103 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ARG 0.022 0.007 20 0 "[ . 1 . 2]"
1 105 SER 0.013 0.005 18 0 "[ . 1 . 2]"
1 106 GLU 0.012 0.005 20 0 "[ . 1 . 2]"
1 107 ASN 0.052 0.007 20 0 "[ . 1 . 2]"
1 108 LEU 0.180 0.082 18 0 "[ . 1 . 2]"
1 109 LYS 0.041 0.005 20 0 "[ . 1 . 2]"
1 110 ILE 0.035 0.006 8 0 "[ . 1 . 2]"
1 111 HIS 0.062 0.033 19 0 "[ . 1 . 2]"
1 112 LYS 0.118 0.022 19 0 "[ . 1 . 2]"
1 113 ARG 0.140 0.109 19 0 "[ . 1 . 2]"
1 114 THR 0.251 0.038 20 0 "[ . 1 . 2]"
1 115 HIS 0.787 0.109 19 0 "[ . 1 . 2]"
1 116 THR 0.132 0.078 9 0 "[ . 1 . 2]"
1 118 GLU 0.009 0.005 15 0 "[ . 1 . 2]"
1 119 LYS 0.055 0.040 20 0 "[ . 1 . 2]"
1 120 PRO 0.007 0.004 10 0 "[ . 1 . 2]"
1 121 PHE 0.025 0.013 20 0 "[ . 1 . 2]"
1 122 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 CYS 0.002 0.001 4 0 "[ . 1 . 2]"
1 124 GLU 0.000 0.000 1 0 "[ . 1 . 2]"
1 125 PHE 0.001 0.001 20 0 "[ . 1 . 2]"
1 126 GLU 0.007 0.007 11 0 "[ . 1 . 2]"
1 127 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 CYS 0.004 0.001 19 0 "[ . 1 . 2]"
1 129 ASP 0.003 0.003 13 0 "[ . 1 . 2]"
1 130 ARG 0.009 0.003 14 0 "[ . 1 . 2]"
1 131 ARG 0.139 0.049 19 0 "[ . 1 . 2]"
1 132 PHE 0.008 0.003 20 0 "[ . 1 . 2]"
1 133 ALA 0.004 0.002 20 0 "[ . 1 . 2]"
1 134 ASN 0.003 0.003 20 0 "[ . 1 . 2]"
1 135 SER 0.002 0.001 20 0 "[ . 1 . 2]"
1 136 SER 0.002 0.001 19 0 "[ . 1 . 2]"
1 137 ASP 0.005 0.004 20 0 "[ . 1 . 2]"
1 138 ARG 0.006 0.004 1 0 "[ . 1 . 2]"
1 139 LYS 0.026 0.016 19 0 "[ . 1 . 2]"
1 140 LYS 0.020 0.007 20 0 "[ . 1 . 2]"
1 141 HIS 0.019 0.008 20 0 "[ . 1 . 2]"
1 142 MET 0.009 0.008 20 0 "[ . 1 . 2]"
1 143 HIS 0.000 0.000 20 0 "[ . 1 . 2]"
1 144 VAL 0.002 0.001 10 0 "[ . 1 . 2]"
1 145 HIS 0.002 0.001 19 0 "[ . 1 . 2]"
1 146 THR 0.002 0.001 1 0 "[ . 1 . 2]"
1 147 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 PRO 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 9 PRO HA 1 10 ILE H . . 2.740 2.509 2.153 2.727 . 0 0 "[ . 1 . 2]" 1
2 1 9 PRO HB2 1 10 ILE H . . 4.290 2.466 1.896 3.710 . 0 0 "[ . 1 . 2]" 1
3 1 10 ILE H 1 10 ILE HB . . 3.180 2.737 2.539 3.122 . 0 0 "[ . 1 . 2]" 1
4 1 10 ILE H 1 10 ILE MG . . 3.930 3.829 3.701 3.912 . 0 0 "[ . 1 . 2]" 1
5 1 10 ILE H 1 10 ILE HG12 . . 3.810 3.322 2.325 3.783 . 0 0 "[ . 1 . 2]" 1
6 1 10 ILE H 1 10 ILE HG13 . . 3.810 2.252 1.900 2.766 . 0 0 "[ . 1 . 2]" 1
7 1 10 ILE HA 1 11 LYS H . . 2.880 2.176 2.139 2.235 . 0 0 "[ . 1 . 2]" 1
8 1 10 ILE HB 1 11 LYS H . . 4.360 3.960 3.555 4.327 . 0 0 "[ . 1 . 2]" 1
9 1 10 ILE MG 1 11 LYS H . . 4.000 2.449 2.008 3.029 . 0 0 "[ . 1 . 2]" 1
10 1 11 LYS H 1 11 LYS HB2 . . 4.020 2.927 2.240 3.730 . 0 0 "[ . 1 . 2]" 1
11 1 11 LYS H 1 11 LYS HG2 . . 4.650 3.008 1.919 4.542 . 0 0 "[ . 1 . 2]" 1
12 1 11 LYS H 1 11 LYS HG3 . . 4.650 3.328 2.186 4.548 . 0 0 "[ . 1 . 2]" 1
13 1 12 GLN H 1 12 GLN QG . . 4.450 3.707 2.467 4.194 . 0 0 "[ . 1 . 2]" 1
14 1 12 GLN HA 1 13 GLU H . . 2.770 2.201 2.140 2.238 . 0 0 "[ . 1 . 2]" 1
15 1 13 GLU H 1 13 GLU HB3 . . 3.820 2.817 2.153 3.616 . 0 0 "[ . 1 . 2]" 1
16 1 13 GLU H 1 13 GLU HG3 . . 4.500 3.659 2.737 4.343 . 0 0 "[ . 1 . 2]" 1
17 1 13 GLU H 1 14 LEU H . . 4.580 4.511 4.351 4.582 0.002 20 0 "[ . 1 . 2]" 1
18 1 14 LEU H 1 14 LEU HB2 . . 3.730 2.749 2.549 2.937 . 0 0 "[ . 1 . 2]" 1
19 1 14 LEU H 1 14 LEU HG . . 3.650 2.316 2.089 2.558 . 0 0 "[ . 1 . 2]" 1
20 1 14 LEU H 1 15 SER H . . 4.960 4.529 4.455 4.578 . 0 0 "[ . 1 . 2]" 1
21 1 14 LEU H 1 35 PHE H . . 4.410 2.495 1.955 2.952 . 0 0 "[ . 1 . 2]" 1
22 1 14 LEU HB2 1 15 SER H . . 5.050 3.306 3.154 3.582 . 0 0 "[ . 1 . 2]" 1
23 1 14 LEU HB3 1 15 SER H . . 4.620 2.493 2.369 2.654 . 0 0 "[ . 1 . 2]" 1
24 1 14 LEU MD1 1 37 THR H . . 4.280 3.639 3.342 3.990 . 0 0 "[ . 1 . 2]" 1
25 1 17 LYS HA 1 31 CYS H . . 4.800 3.464 3.163 3.671 . 0 0 "[ . 1 . 2]" 1
26 1 17 LYS HB2 1 18 TRP H . . 5.040 4.333 4.273 4.426 . 0 0 "[ . 1 . 2]" 1
27 1 18 TRP H 1 19 ILE HG13 . . 5.500 4.757 4.587 4.922 . 0 0 "[ . 1 . 2]" 1
28 1 17 LYS HB2 1 62 TRP HE1 . . 4.460 3.257 2.807 3.372 . 0 0 "[ . 1 . 2]" 1
29 1 17 LYS HB3 1 62 TRP HE1 . . 5.020 4.945 4.531 5.036 0.016 20 0 "[ . 1 . 2]" 1
30 1 17 LYS HB2 1 63 GLU H . . 4.480 3.363 2.897 3.728 . 0 0 "[ . 1 . 2]" 1
31 1 19 ILE HG13 1 63 GLU H . . 4.650 2.755 2.538 3.046 . 0 0 "[ . 1 . 2]" 1
32 1 17 LYS HB3 1 63 GLU H . . 4.910 4.028 3.403 4.618 . 0 0 "[ . 1 . 2]" 1
33 1 17 LYS HG2 1 62 TRP HE1 . . 4.570 3.844 3.151 4.450 . 0 0 "[ . 1 . 2]" 1
34 1 17 LYS HG3 1 62 TRP HE1 . . 4.570 4.330 3.683 4.562 . 0 0 "[ . 1 . 2]" 1
35 1 18 TRP H 1 18 TRP HB2 . . 3.510 2.765 2.694 2.850 . 0 0 "[ . 1 . 2]" 1
36 1 18 TRP H 1 18 TRP HB3 . . 3.580 2.695 2.612 2.768 . 0 0 "[ . 1 . 2]" 1
37 1 18 TRP H 1 19 ILE H . . 4.480 4.352 4.224 4.410 . 0 0 "[ . 1 . 2]" 1
38 1 18 TRP HA 1 19 ILE H . . 3.390 2.145 2.140 2.155 . 0 0 "[ . 1 . 2]" 1
39 1 18 TRP HA 1 63 GLU H . . 3.830 3.696 3.305 3.832 0.002 12 0 "[ . 1 . 2]" 1
40 1 18 TRP HB2 1 19 ILE H . . 4.840 4.395 4.318 4.502 . 0 0 "[ . 1 . 2]" 1
41 1 18 TRP HB3 1 19 ILE H . . 4.810 4.165 4.078 4.302 . 0 0 "[ . 1 . 2]" 1
42 1 18 TRP HB3 1 31 CYS H . . 5.230 2.881 2.664 3.117 . 0 0 "[ . 1 . 2]" 1
43 1 18 TRP HD1 1 20 ASP H . . 4.390 3.003 2.747 3.306 . 0 0 "[ . 1 . 2]" 1
44 1 18 TRP HE1 1 20 ASP HA . . 4.070 3.523 3.248 3.771 . 0 0 "[ . 1 . 2]" 1
45 1 18 TRP HE1 1 20 ASP QB . . 4.730 3.240 2.626 4.304 . 0 0 "[ . 1 . 2]" 1
46 1 18 TRP HE1 1 21 GLU H . . 5.500 5.414 5.157 5.509 0.009 20 0 "[ . 1 . 2]" 1
47 1 18 TRP HE1 1 61 TYR HB2 . . 4.800 3.197 2.781 3.490 . 0 0 "[ . 1 . 2]" 1
48 1 18 TRP HE1 1 61 TYR HB3 . . 5.200 4.905 4.525 5.198 . 0 0 "[ . 1 . 2]" 1
49 1 19 ILE H 1 19 ILE HB . . 3.740 2.685 2.543 2.788 . 0 0 "[ . 1 . 2]" 1
50 1 19 ILE H 1 19 ILE MG . . 3.940 3.867 3.788 3.909 . 0 0 "[ . 1 . 2]" 1
51 1 19 ILE H 1 19 ILE HG13 . . 4.110 2.920 2.696 3.081 . 0 0 "[ . 1 . 2]" 1
52 1 19 ILE H 1 19 ILE MD . . 4.460 4.278 4.146 4.366 . 0 0 "[ . 1 . 2]" 1
53 1 19 ILE H 1 61 TYR HB3 . . 4.990 4.342 3.921 4.935 . 0 0 "[ . 1 . 2]" 1
54 1 19 ILE H 1 62 TRP HA . . 3.710 2.963 2.620 3.214 . 0 0 "[ . 1 . 2]" 1
55 1 19 ILE H 1 63 GLU H . . 4.340 3.434 3.088 3.671 . 0 0 "[ . 1 . 2]" 1
56 1 19 ILE HA 1 20 ASP H . . 3.370 2.176 2.143 2.194 . 0 0 "[ . 1 . 2]" 1
57 1 19 ILE HA 1 31 CYS H . . 4.420 4.324 4.043 4.426 0.006 20 0 "[ . 1 . 2]" 1
58 1 19 ILE HB 1 20 ASP H . . 4.610 4.378 4.253 4.458 . 0 0 "[ . 1 . 2]" 1
59 1 19 ILE MG 1 20 ASP H . . 3.970 3.124 2.801 3.291 . 0 0 "[ . 1 . 2]" 1
60 1 19 ILE HG13 1 31 CYS H . . 5.160 5.063 4.593 5.169 0.009 20 0 "[ . 1 . 2]" 1
61 1 19 ILE HG12 1 31 CYS H . . 4.630 4.168 3.991 4.281 . 0 0 "[ . 1 . 2]" 1
62 1 20 ASP H 1 20 ASP QB . . 3.250 2.226 2.154 2.318 . 0 0 "[ . 1 . 2]" 1
63 1 20 ASP H 1 21 GLU H . . 4.590 4.498 4.302 4.590 0.000 3 0 "[ . 1 . 2]" 1
64 1 20 ASP H 1 23 GLN HE21 . . 4.210 3.359 2.505 4.039 . 0 0 "[ . 1 . 2]" 1
65 1 20 ASP H 1 23 GLN HE22 . . 4.210 3.549 2.949 3.961 . 0 0 "[ . 1 . 2]" 1
66 1 22 ALA H 1 23 GLN HG2 . . 5.090 4.822 4.143 5.089 . 0 0 "[ . 1 . 2]" 1
67 1 20 ASP QB 1 22 ALA H . . 4.440 3.638 2.717 4.328 . 0 0 "[ . 1 . 2]" 1
68 1 20 ASP QB 1 23 GLN H . . 3.970 3.497 2.980 3.956 . 0 0 "[ . 1 . 2]" 1
69 1 21 GLU HA 1 23 GLN H . . 3.980 3.669 3.381 3.912 . 0 0 "[ . 1 . 2]" 1
70 1 21 GLU HB3 1 22 ALA H . . 4.060 3.963 3.073 4.067 0.007 15 0 "[ . 1 . 2]" 1
71 1 21 GLU HG3 1 22 ALA H . . 4.800 3.931 1.910 4.802 0.002 1 0 "[ . 1 . 2]" 1
72 1 22 ALA H 1 23 GLN HB3 . . 5.380 4.686 4.274 5.365 . 0 0 "[ . 1 . 2]" 1
73 1 22 ALA H 1 23 GLN H . . 3.340 2.867 2.561 3.195 . 0 0 "[ . 1 . 2]" 1
74 1 22 ALA HA 1 23 GLN H . . 3.310 2.950 2.723 3.288 . 0 0 "[ . 1 . 2]" 1
75 1 22 ALA MB 1 23 GLN H . . 3.680 3.585 3.295 3.705 0.025 14 0 "[ . 1 . 2]" 1
76 1 23 GLN H 1 23 GLN HB2 . . 3.610 3.586 3.506 3.620 0.010 4 0 "[ . 1 . 2]" 1
77 1 23 GLN H 1 23 GLN HB3 . . 3.270 2.601 2.331 2.948 . 0 0 "[ . 1 . 2]" 1
78 1 23 GLN H 1 23 GLN HG2 . . 3.390 2.220 1.898 2.552 . 0 0 "[ . 1 . 2]" 1
79 1 23 GLN H 1 23 GLN HG3 . . 3.670 3.395 2.976 3.622 . 0 0 "[ . 1 . 2]" 1
80 1 23 GLN H 1 28 LYS QE . . 4.570 4.207 3.153 4.578 0.008 14 0 "[ . 1 . 2]" 1
81 1 23 GLN HA 1 25 SER H . . 4.210 3.741 3.456 4.214 0.004 14 0 "[ . 1 . 2]" 1
82 1 23 GLN HB3 1 23 GLN HE21 . . 4.560 2.692 1.902 3.271 . 0 0 "[ . 1 . 2]" 1
83 1 23 GLN HB3 1 23 GLN HE22 . . 4.560 3.757 3.258 4.060 . 0 0 "[ . 1 . 2]" 1
84 1 23 GLN HB2 1 25 SER H . . 3.910 2.546 2.111 2.803 . 0 0 "[ . 1 . 2]" 1
85 1 23 GLN HB3 1 25 SER H . . 4.330 4.145 3.819 4.336 0.006 1 0 "[ . 1 . 2]" 1
86 1 23 GLN HG2 1 25 SER H . . 4.290 4.221 3.989 4.296 0.006 15 0 "[ . 1 . 2]" 1
87 1 23 GLN HG3 1 25 SER H . . 3.910 2.917 2.459 3.906 . 0 0 "[ . 1 . 2]" 1
88 1 23 GLN HE22 1 28 LYS HB3 . . 4.520 2.294 1.900 3.230 . 0 0 "[ . 1 . 2]" 1
89 1 24 LEU H 1 25 SER H . . 4.460 2.400 1.956 2.721 . 0 0 "[ . 1 . 2]" 1
90 1 24 LEU HB2 1 25 SER H . . 4.400 4.037 3.530 4.349 . 0 0 "[ . 1 . 2]" 1
91 1 24 LEU HB3 1 25 SER H . . 4.400 3.743 3.141 4.323 . 0 0 "[ . 1 . 2]" 1
92 1 25 SER H 1 25 SER HB2 . . 3.730 3.080 2.543 3.684 . 0 0 "[ . 1 . 2]" 1
93 1 25 SER H 1 25 SER HB3 . . 3.730 3.282 2.490 3.733 0.003 6 0 "[ . 1 . 2]" 1
94 1 25 SER H 1 26 ARG H . . 4.550 4.477 4.295 4.553 0.003 16 0 "[ . 1 . 2]" 1
95 1 25 SER HA 1 26 ARG H . . 2.870 2.253 2.140 2.535 . 0 0 "[ . 1 . 2]" 1
96 1 26 ARG H 1 26 ARG HB2 . . 3.750 2.957 2.455 3.490 . 0 0 "[ . 1 . 2]" 1
97 1 26 ARG H 1 26 ARG HB3 . . 3.750 3.224 2.608 3.750 . 0 0 "[ . 1 . 2]" 1
98 1 26 ARG HA 1 28 LYS H . . 3.940 3.143 2.504 3.719 . 0 0 "[ . 1 . 2]" 1
99 1 26 ARG HD2 1 28 LYS H . . 4.870 3.211 1.899 4.548 . 0 0 "[ . 1 . 2]" 1
100 1 26 ARG HD3 1 28 LYS H . . 4.870 3.816 1.900 4.871 0.001 3 0 "[ . 1 . 2]" 1
101 1 27 PRO HA 1 28 LYS H . . 3.280 2.374 2.182 2.690 . 0 0 "[ . 1 . 2]" 1
102 1 27 PRO HB2 1 28 LYS H . . 3.930 2.719 1.965 3.326 . 0 0 "[ . 1 . 2]" 1
103 1 27 PRO HB3 1 28 LYS H . . 3.930 3.521 3.168 3.864 . 0 0 "[ . 1 . 2]" 1
104 1 19 ILE MG 1 28 LYS H . . 5.270 5.161 4.637 5.272 0.002 19 0 "[ . 1 . 2]" 1
105 1 28 LYS H 1 28 LYS QE . . 4.830 4.458 3.572 4.815 . 0 0 "[ . 1 . 2]" 1
106 1 28 LYS H 1 29 LYS H . . 4.720 4.485 4.334 4.640 . 0 0 "[ . 1 . 2]" 1
107 1 23 GLN HG3 1 29 LYS H . . 4.950 4.393 3.472 4.908 . 0 0 "[ . 1 . 2]" 1
108 1 28 LYS HA 1 29 LYS H . . 3.170 2.168 2.139 2.456 . 0 0 "[ . 1 . 2]" 1
109 1 28 LYS HB3 1 29 LYS H . . 3.710 3.390 2.318 3.714 0.004 6 0 "[ . 1 . 2]" 1
110 1 19 ILE MG 1 29 LYS H . . 4.270 3.887 2.685 4.186 . 0 0 "[ . 1 . 2]" 1
111 1 29 LYS H 1 29 LYS HB2 . . 4.000 3.212 2.513 3.745 . 0 0 "[ . 1 . 2]" 1
112 1 29 LYS H 1 29 LYS HB3 . . 4.000 3.403 2.663 3.878 . 0 0 "[ . 1 . 2]" 1
113 1 29 LYS H 1 29 LYS QG . . 3.380 2.319 1.902 3.320 . 0 0 "[ . 1 . 2]" 1
114 1 29 LYS H 1 30 SER H . . 4.930 4.498 4.366 4.544 . 0 0 "[ . 1 . 2]" 1
115 1 29 LYS HA 1 30 SER H . . 3.170 2.391 2.216 2.616 . 0 0 "[ . 1 . 2]" 1
116 1 29 LYS HB2 1 30 SER H . . 4.120 2.980 2.151 3.886 . 0 0 "[ . 1 . 2]" 1
117 1 29 LYS HB3 1 30 SER H . . 4.120 3.160 2.352 4.104 . 0 0 "[ . 1 . 2]" 1
118 1 29 LYS QG 1 30 SER H . . 4.290 3.943 2.545 4.295 0.005 15 0 "[ . 1 . 2]" 1
119 1 30 SER H 1 30 SER HB2 . . 3.980 3.451 2.778 3.774 . 0 0 "[ . 1 . 2]" 1
120 1 30 SER H 1 30 SER HB3 . . 3.980 3.196 2.423 3.789 . 0 0 "[ . 1 . 2]" 1
121 1 30 SER H 1 31 CYS H . . 4.680 4.509 4.340 4.601 . 0 0 "[ . 1 . 2]" 1
122 1 30 SER HA 1 31 CYS H . . 3.510 2.267 2.144 2.407 . 0 0 "[ . 1 . 2]" 1
123 1 30 SER HB3 1 31 CYS H . . 4.160 3.657 2.665 4.153 . 0 0 "[ . 1 . 2]" 1
124 1 31 CYS H 1 31 CYS HB2 . . 3.720 3.003 2.576 3.454 . 0 0 "[ . 1 . 2]" 1
125 1 31 CYS H 1 31 CYS HB3 . . 3.720 2.247 2.120 2.481 . 0 0 "[ . 1 . 2]" 1
126 1 33 ARG HA 1 34 THR H . . 2.920 2.376 2.284 2.462 . 0 0 "[ . 1 . 2]" 1
127 1 33 ARG HB2 1 34 THR H . . 4.000 3.930 3.784 4.001 0.001 14 0 "[ . 1 . 2]" 1
128 1 33 ARG HB3 1 34 THR H . . 4.000 3.361 2.432 3.961 . 0 0 "[ . 1 . 2]" 1
129 1 33 ARG QG 1 34 THR H . . 4.080 2.222 1.893 4.049 . 0 0 "[ . 1 . 2]" 1
130 1 34 THR H 1 34 THR HB . . 3.900 3.787 3.568 3.901 0.001 14 0 "[ . 1 . 2]" 1
131 1 34 THR H 1 35 PHE H . . 4.960 4.403 4.328 4.461 . 0 0 "[ . 1 . 2]" 1
132 1 35 PHE H 1 35 PHE HB2 . . 3.830 3.014 2.886 3.156 . 0 0 "[ . 1 . 2]" 1
133 1 35 PHE HB3 1 36 SER H . . 4.470 2.474 2.291 2.863 . 0 0 "[ . 1 . 2]" 1
134 1 35 PHE HB2 1 36 SER H . . 4.750 3.379 3.072 3.778 . 0 0 "[ . 1 . 2]" 1
135 1 35 PHE HB3 1 37 THR H . . 3.730 2.977 2.548 3.365 . 0 0 "[ . 1 . 2]" 1
136 1 35 PHE HB2 1 37 THR H . . 3.980 3.588 2.838 3.967 . 0 0 "[ . 1 . 2]" 1
137 1 35 PHE HB3 1 41 LEU H . . 4.730 3.704 3.380 4.003 . 0 0 "[ . 1 . 2]" 1
138 1 35 PHE HB2 1 41 LEU H . . 4.550 3.629 3.237 3.975 . 0 0 "[ . 1 . 2]" 1
139 1 36 SER H 1 37 THR H . . 3.680 2.149 1.880 2.369 . 0 0 "[ . 1 . 2]" 1
140 1 36 SER H 1 40 GLU QB . . 4.840 3.288 3.074 3.789 . 0 0 "[ . 1 . 2]" 1
141 1 36 SER HB2 1 37 THR H . . 4.180 3.544 2.595 4.099 . 0 0 "[ . 1 . 2]" 1
142 1 36 SER HB3 1 37 THR H . . 4.180 3.632 2.582 4.177 . 0 0 "[ . 1 . 2]" 1
143 1 37 THR H 1 37 THR MG . . 3.600 2.600 2.151 3.537 . 0 0 "[ . 1 . 2]" 1
144 1 37 THR H 1 38 MET H . . 4.850 4.482 4.398 4.525 . 0 0 "[ . 1 . 2]" 1
145 1 37 THR H 1 40 GLU H . . 4.460 4.066 3.889 4.313 . 0 0 "[ . 1 . 2]" 1
146 1 37 THR H 1 40 GLU QB . . 3.490 2.644 2.364 3.263 . 0 0 "[ . 1 . 2]" 1
147 1 37 THR H 1 40 GLU QG . . 3.570 2.959 2.482 3.419 . 0 0 "[ . 1 . 2]" 1
148 1 37 THR HA 1 38 MET H . . 3.520 2.380 2.250 2.491 . 0 0 "[ . 1 . 2]" 1
149 1 37 THR HB 1 38 MET H . . 4.010 2.546 2.252 2.810 . 0 0 "[ . 1 . 2]" 1
150 1 37 THR HB 1 39 HIS H . . 3.900 3.415 2.899 3.702 . 0 0 "[ . 1 . 2]" 1
151 1 37 THR HB 1 40 GLU H . . 4.500 3.882 3.169 4.310 . 0 0 "[ . 1 . 2]" 1
152 1 38 MET H 1 38 MET HB2 . . 3.960 2.534 2.244 2.894 . 0 0 "[ . 1 . 2]" 1
153 1 38 MET H 1 38 MET HB3 . . 3.960 2.529 2.225 2.852 . 0 0 "[ . 1 . 2]" 1
154 1 38 MET H 1 38 MET HG3 . . 5.020 4.436 4.154 4.535 . 0 0 "[ . 1 . 2]" 1
155 1 38 MET H 1 38 MET HG2 . . 5.130 4.595 4.510 4.620 . 0 0 "[ . 1 . 2]" 1
156 1 38 MET H 1 39 HIS H . . 4.330 2.789 2.660 2.906 . 0 0 "[ . 1 . 2]" 1
157 1 38 MET HA 1 41 LEU H . . 4.270 3.352 3.197 3.531 . 0 0 "[ . 1 . 2]" 1
158 1 38 MET HB2 1 39 HIS H . . 3.980 3.717 3.431 3.932 . 0 0 "[ . 1 . 2]" 1
159 1 38 MET HB3 1 39 HIS H . . 3.980 2.342 2.233 2.643 . 0 0 "[ . 1 . 2]" 1
160 1 38 MET HG2 1 39 HIS H . . 4.830 4.429 3.897 4.706 . 0 0 "[ . 1 . 2]" 1
161 1 41 LEU H 1 41 LEU MD1 . . 4.560 4.225 4.108 4.339 . 0 0 "[ . 1 . 2]" 1
162 1 41 LEU MD1 1 42 VAL H . . 4.580 4.188 4.000 4.566 . 0 0 "[ . 1 . 2]" 1
163 1 39 HIS H 1 39 HIS HB2 . . 3.600 2.438 2.190 2.779 . 0 0 "[ . 1 . 2]" 1
164 1 39 HIS H 1 39 HIS HB3 . . 3.600 3.192 2.344 3.602 0.002 20 0 "[ . 1 . 2]" 1
165 1 39 HIS H 1 40 GLU H . . 4.110 2.895 2.798 2.994 . 0 0 "[ . 1 . 2]" 1
166 1 39 HIS H 1 41 LEU H . . 4.860 4.361 4.182 4.523 . 0 0 "[ . 1 . 2]" 1
167 1 38 MET HA 1 42 VAL H . . 4.470 4.191 4.011 4.469 . 0 0 "[ . 1 . 2]" 1
168 1 39 HIS HA 1 43 THR H . . 4.490 3.792 3.473 4.223 . 0 0 "[ . 1 . 2]" 1
169 1 39 HIS HB2 1 40 GLU H . . 4.090 3.212 2.463 4.004 . 0 0 "[ . 1 . 2]" 1
170 1 39 HIS HB3 1 40 GLU H . . 4.090 3.120 2.414 3.888 . 0 0 "[ . 1 . 2]" 1
171 1 40 GLU H 1 40 GLU QB . . 3.220 2.306 2.197 2.421 . 0 0 "[ . 1 . 2]" 1
172 1 40 GLU H 1 40 GLU QG . . 3.220 2.506 2.288 2.792 . 0 0 "[ . 1 . 2]" 1
173 1 40 GLU H 1 41 LEU H . . 3.600 2.720 2.596 2.835 . 0 0 "[ . 1 . 2]" 1
174 1 40 GLU HA 1 43 THR H . . 4.280 3.977 3.603 4.168 . 0 0 "[ . 1 . 2]" 1
175 1 40 GLU QB 1 41 LEU H . . 3.520 2.602 2.404 2.780 . 0 0 "[ . 1 . 2]" 1
176 1 41 LEU H 1 41 LEU HB2 . . 3.800 2.774 2.618 2.945 . 0 0 "[ . 1 . 2]" 1
177 1 41 LEU H 1 41 LEU HB3 . . 3.800 2.287 2.201 2.419 . 0 0 "[ . 1 . 2]" 1
178 1 41 LEU H 1 41 LEU HG . . 4.430 4.296 4.158 4.425 . 0 0 "[ . 1 . 2]" 1
179 1 41 LEU H 1 42 VAL H . . 3.800 2.666 2.474 2.816 . 0 0 "[ . 1 . 2]" 1
180 1 41 LEU H 1 42 VAL MG2 . . 4.470 4.164 3.851 4.468 . 0 0 "[ . 1 . 2]" 1
181 1 41 LEU HA 1 44 HIS H . . 3.810 3.603 3.455 3.775 . 0 0 "[ . 1 . 2]" 1
182 1 41 LEU MD1 1 45 VAL H . . 3.960 3.214 2.966 3.565 . 0 0 "[ . 1 . 2]" 1
183 1 41 LEU HB2 1 42 VAL H . . 4.350 3.916 3.717 4.228 . 0 0 "[ . 1 . 2]" 1
184 1 41 LEU HB3 1 42 VAL H . . 4.350 2.547 2.257 3.058 . 0 0 "[ . 1 . 2]" 1
185 1 41 LEU HG 1 42 VAL H . . 4.530 3.216 2.922 3.828 . 0 0 "[ . 1 . 2]" 1
186 1 42 VAL H 1 42 VAL HB . . 3.400 2.553 2.342 2.764 . 0 0 "[ . 1 . 2]" 1
187 1 42 VAL H 1 43 THR H . . 3.840 2.896 2.680 2.994 . 0 0 "[ . 1 . 2]" 1
188 1 42 VAL H 1 44 HIS H . . 4.630 3.992 3.713 4.089 . 0 0 "[ . 1 . 2]" 1
189 1 42 VAL HA 1 44 HIS H . . 4.220 3.963 3.834 4.061 . 0 0 "[ . 1 . 2]" 1
190 1 42 VAL HA 1 45 VAL H . . 4.160 3.652 3.549 3.777 . 0 0 "[ . 1 . 2]" 1
191 1 42 VAL HB 1 43 THR H . . 3.620 2.316 2.199 2.405 . 0 0 "[ . 1 . 2]" 1
192 1 43 THR H 1 43 THR HB . . 3.410 2.549 2.282 2.704 . 0 0 "[ . 1 . 2]" 1
193 1 43 THR H 1 44 HIS H . . 3.610 2.771 2.705 2.829 . 0 0 "[ . 1 . 2]" 1
194 1 43 THR HA 1 47 MET H . . 4.640 3.421 3.405 3.454 . 0 0 "[ . 1 . 2]" 1
195 1 43 THR HB 1 44 HIS H . . 3.600 2.942 2.839 3.124 . 0 0 "[ . 1 . 2]" 1
196 1 44 HIS H 1 44 HIS HB2 . . 3.300 2.915 2.878 3.015 . 0 0 "[ . 1 . 2]" 1
197 1 44 HIS H 1 44 HIS HB3 . . 3.300 2.295 2.234 2.316 . 0 0 "[ . 1 . 2]" 1
198 1 44 HIS H 1 44 HIS HD2 . . 4.820 4.663 4.515 4.722 . 0 0 "[ . 1 . 2]" 1
199 1 44 HIS H 1 45 VAL H . . 3.720 2.671 2.659 2.701 . 0 0 "[ . 1 . 2]" 1
200 1 42 VAL HA 1 46 THR H . . 4.580 3.899 3.842 3.974 . 0 0 "[ . 1 . 2]" 1
201 1 44 HIS HA 1 46 THR H . . 4.900 3.896 3.890 3.901 . 0 0 "[ . 1 . 2]" 1
202 1 44 HIS HB2 1 45 VAL H . . 4.080 3.744 3.732 3.777 . 0 0 "[ . 1 . 2]" 1
203 1 44 HIS HB3 1 45 VAL H . . 4.080 2.294 2.268 2.382 . 0 0 "[ . 1 . 2]" 1
204 1 44 HIS HD2 1 45 VAL H . . 4.430 2.651 2.517 2.732 . 0 0 "[ . 1 . 2]" 1
205 1 45 VAL H 1 45 VAL HB . . 3.520 2.677 2.515 2.750 . 0 0 "[ . 1 . 2]" 1
206 1 45 VAL H 1 45 VAL MG1 . . 3.830 3.753 3.743 3.763 . 0 0 "[ . 1 . 2]" 1
207 1 45 VAL H 1 45 VAL MG2 . . 3.280 1.954 1.861 2.269 . 0 0 "[ . 1 . 2]" 1
208 1 45 VAL H 1 46 THR H . . 3.730 2.727 2.720 2.733 . 0 0 "[ . 1 . 2]" 1
209 1 45 VAL H 1 49 HIS HD2 . . 4.860 4.185 3.896 4.350 . 0 0 "[ . 1 . 2]" 1
210 1 45 VAL HA 1 48 GLU H . . 4.930 4.840 4.811 4.854 . 0 0 "[ . 1 . 2]" 1
211 1 45 VAL HA 1 49 HIS H . . 4.420 4.152 4.138 4.161 . 0 0 "[ . 1 . 2]" 1
212 1 45 VAL HB 1 46 THR H . . 3.750 3.075 3.067 3.091 . 0 0 "[ . 1 . 2]" 1
213 1 46 THR H 1 46 THR HB . . 3.560 2.619 2.564 2.725 . 0 0 "[ . 1 . 2]" 1
214 1 46 THR H 1 46 THR HG1 . . 3.630 2.963 2.184 3.599 . 0 0 "[ . 1 . 2]" 1
215 1 46 THR H 1 46 THR MG . . 3.840 3.817 3.808 3.822 . 0 0 "[ . 1 . 2]" 1
216 1 46 THR H 1 47 MET H . . 3.730 2.460 2.426 2.469 . 0 0 "[ . 1 . 2]" 1
217 1 46 THR H 1 48 GLU H . . 4.740 3.699 3.692 3.733 . 0 0 "[ . 1 . 2]" 1
218 1 44 HIS H 1 48 GLU H . . 5.110 4.498 4.485 4.546 . 0 0 "[ . 1 . 2]" 1
219 1 48 GLU H 1 50 VAL H . . 5.460 4.835 4.794 4.866 . 0 0 "[ . 1 . 2]" 1
220 1 44 HIS H 1 46 THR H . . 5.040 3.532 3.517 3.559 . 0 0 "[ . 1 . 2]" 1
221 1 46 THR H 1 50 VAL H . . 5.500 4.261 4.255 4.282 . 0 0 "[ . 1 . 2]" 1
222 1 46 THR H 1 50 VAL HB . . 5.030 4.729 4.684 4.745 . 0 0 "[ . 1 . 2]" 1
223 1 46 THR HA 1 49 HIS H . . 4.950 4.339 4.322 4.351 . 0 0 "[ . 1 . 2]" 1
224 1 46 THR HB 1 47 MET H . . 3.540 2.240 2.217 2.291 . 0 0 "[ . 1 . 2]" 1
225 1 46 THR HG1 1 47 MET H . . 4.530 4.124 3.823 4.437 . 0 0 "[ . 1 . 2]" 1
226 1 47 MET H 1 47 MET HG2 . . 3.640 2.951 2.585 3.200 . 0 0 "[ . 1 . 2]" 1
227 1 47 MET H 1 47 MET HG3 . . 3.440 2.323 2.120 2.975 . 0 0 "[ . 1 . 2]" 1
228 1 47 MET H 1 48 GLU H . . 3.510 2.430 2.422 2.440 . 0 0 "[ . 1 . 2]" 1
229 1 47 MET H 1 49 HIS H . . 4.550 3.576 3.555 3.585 . 0 0 "[ . 1 . 2]" 1
230 1 44 HIS HA 1 48 GLU H . . 3.860 2.188 2.179 2.213 . 0 0 "[ . 1 . 2]" 1
231 1 47 MET HA 1 51 GLY H . . 4.950 2.944 2.751 2.979 . 0 0 "[ . 1 . 2]" 1
232 1 48 GLU H 1 48 GLU HG2 . . 3.570 2.369 2.279 3.051 . 0 0 "[ . 1 . 2]" 1
233 1 48 GLU H 1 48 GLU HB3 . . 3.700 3.593 3.572 3.596 . 0 0 "[ . 1 . 2]" 1
234 1 48 GLU H 1 48 GLU HB2 . . 3.470 2.453 2.349 2.471 . 0 0 "[ . 1 . 2]" 1
235 1 48 GLU H 1 48 GLU HG3 . . 3.460 3.396 2.916 3.469 0.009 4 0 "[ . 1 . 2]" 1
236 1 48 GLU H 1 49 HIS H . . 3.380 2.693 2.687 2.700 . 0 0 "[ . 1 . 2]" 1
237 1 48 GLU HB3 1 49 HIS H . . 4.430 4.299 4.235 4.311 . 0 0 "[ . 1 . 2]" 1
238 1 48 GLU HB2 1 49 HIS H . . 3.920 3.633 3.619 3.665 . 0 0 "[ . 1 . 2]" 1
239 1 49 HIS H 1 49 HIS HB2 . . 3.690 2.676 2.655 2.687 . 0 0 "[ . 1 . 2]" 1
240 1 49 HIS H 1 49 HIS HB3 . . 3.690 3.644 3.617 3.662 . 0 0 "[ . 1 . 2]" 1
241 1 49 HIS H 1 49 HIS HD2 . . 5.500 5.011 4.531 5.254 . 0 0 "[ . 1 . 2]" 1
242 1 49 HIS H 1 50 VAL H . . 3.310 2.601 2.550 2.624 . 0 0 "[ . 1 . 2]" 1
243 1 49 HIS H 1 50 VAL HB . . 4.490 4.459 4.363 4.483 . 0 0 "[ . 1 . 2]" 1
244 1 49 HIS H 1 51 GLY H . . 4.700 2.451 2.444 2.462 . 0 0 "[ . 1 . 2]" 1
245 1 49 HIS HB2 1 50 VAL H . . 4.140 2.427 2.399 2.473 . 0 0 "[ . 1 . 2]" 1
246 1 49 HIS HB3 1 50 VAL H . . 3.980 2.395 2.346 2.419 . 0 0 "[ . 1 . 2]" 1
247 1 50 VAL H 1 50 VAL HB . . 3.750 2.395 2.230 2.429 . 0 0 "[ . 1 . 2]" 1
248 1 50 VAL H 1 50 VAL MG2 . . 3.590 2.413 2.283 2.756 . 0 0 "[ . 1 . 2]" 1
249 1 50 VAL H 1 51 GLY H . . 4.010 2.635 2.566 2.651 . 0 0 "[ . 1 . 2]" 1
250 1 50 VAL HB 1 51 GLY H . . 4.120 3.511 3.417 3.530 . 0 0 "[ . 1 . 2]" 1
251 1 50 VAL MG2 1 51 GLY H . . 4.570 4.237 4.199 4.328 . 0 0 "[ . 1 . 2]" 1
252 1 51 GLY H 1 52 GLY H . . 4.690 4.598 4.410 4.643 . 0 0 "[ . 1 . 2]" 1
253 1 51 GLY QA 1 52 GLY H . . 3.330 2.256 2.203 2.286 . 0 0 "[ . 1 . 2]" 1
254 1 54 GLU H 1 54 GLU HB2 . . 4.200 2.688 2.186 3.686 . 0 0 "[ . 1 . 2]" 1
255 1 53 PRO QG 1 54 GLU H . . 3.740 2.992 1.914 3.295 . 0 0 "[ . 1 . 2]" 1
256 1 53 PRO HB2 1 54 GLU H . . 4.660 3.781 2.903 3.978 . 0 0 "[ . 1 . 2]" 1
257 1 54 GLU H 1 55 GLN H . . 4.430 2.567 2.283 3.211 . 0 0 "[ . 1 . 2]" 1
258 1 55 GLN HB2 1 55 GLN HE21 . . 4.730 3.178 1.897 4.186 . 0 0 "[ . 1 . 2]" 1
259 1 55 GLN HB2 1 55 GLN HE22 . . 4.730 4.327 3.288 4.779 0.049 2 0 "[ . 1 . 2]" 1
260 1 56 ASN QB 1 56 ASN HD22 . . 3.820 3.260 3.213 3.369 . 0 0 "[ . 1 . 2]" 1
261 1 56 ASN QB 1 57 ASN H . . 4.170 2.109 1.876 2.725 . 0 0 "[ . 1 . 2]" 1
262 1 58 HIS H 1 58 HIS HE1 . . 5.500 4.640 4.121 5.237 . 0 0 "[ . 1 . 2]" 1
263 1 58 HIS H 1 59 VAL H . . 4.990 4.291 4.186 4.476 . 0 0 "[ . 1 . 2]" 1
264 1 59 VAL H 1 59 VAL HB . . 3.760 2.910 2.802 3.045 . 0 0 "[ . 1 . 2]" 1
265 1 60 CYS H 1 60 CYS HB2 . . 4.190 3.386 3.267 3.468 . 0 0 "[ . 1 . 2]" 1
266 1 60 CYS H 1 60 CYS HB3 . . 4.190 2.298 2.165 2.353 . 0 0 "[ . 1 . 2]" 1
267 1 60 CYS H 1 61 TYR QD . . 5.500 5.039 4.669 5.309 . 0 0 "[ . 1 . 2]" 1
268 1 61 TYR HB2 1 62 TRP H . . 4.660 4.375 4.301 4.420 . 0 0 "[ . 1 . 2]" 1
269 1 62 TRP H 1 62 TRP HB2 . . 3.510 2.383 2.346 2.396 . 0 0 "[ . 1 . 2]" 1
270 1 62 TRP H 1 62 TRP HB3 . . 3.510 2.891 2.872 2.937 . 0 0 "[ . 1 . 2]" 1
271 1 61 TYR H 1 62 TRP H . . 4.390 4.089 4.029 4.122 . 0 0 "[ . 1 . 2]" 1
272 1 62 TRP H 1 62 TRP HE3 . . 4.780 4.144 4.016 4.181 . 0 0 "[ . 1 . 2]" 1
273 1 62 TRP H 1 63 GLU H . . 4.630 4.576 4.574 4.579 . 0 0 "[ . 1 . 2]" 1
274 1 62 TRP H 1 65 CYS H . . 4.980 3.312 3.260 3.375 . 0 0 "[ . 1 . 2]" 1
275 1 62 TRP H 1 65 CYS HB2 . . 4.520 1.832 1.809 1.864 . 0 0 "[ . 1 . 2]" 1
276 1 62 TRP H 1 65 CYS HB3 . . 4.520 2.935 1.976 3.101 . 0 0 "[ . 1 . 2]" 1
277 1 62 TRP HA 1 63 GLU H . . 3.380 2.244 2.238 2.253 . 0 0 "[ . 1 . 2]" 1
278 1 62 TRP HB2 1 63 GLU H . . 4.970 4.231 4.221 4.253 . 0 0 "[ . 1 . 2]" 1
279 1 19 ILE MD 1 64 GLU H . . 4.980 4.914 4.819 4.997 0.017 9 0 "[ . 1 . 2]" 1
280 1 62 TRP HE1 1 63 GLU H . . 4.810 4.530 4.418 4.659 . 0 0 "[ . 1 . 2]" 1
281 1 62 TRP HE1 1 85 HIS HB3 . . 4.480 4.197 3.907 4.415 . 0 0 "[ . 1 . 2]" 1
282 1 63 GLU H 1 63 GLU HB2 . . 3.720 2.604 2.389 3.221 . 0 0 "[ . 1 . 2]" 1
283 1 63 GLU H 1 63 GLU HB3 . . 3.720 2.495 2.083 2.742 . 0 0 "[ . 1 . 2]" 1
284 1 63 GLU H 1 63 GLU HG2 . . 4.620 4.430 3.704 4.619 . 0 0 "[ . 1 . 2]" 1
285 1 63 GLU HB2 1 64 GLU H . . 4.840 4.196 4.032 4.383 . 0 0 "[ . 1 . 2]" 1
286 1 63 GLU HB3 1 64 GLU H . . 4.840 3.097 2.946 3.534 . 0 0 "[ . 1 . 2]" 1
287 1 64 GLU H 1 64 GLU QG . . 3.890 3.334 2.181 4.098 0.208 15 0 "[ . 1 . 2]" 1
288 1 64 GLU H 1 65 CYS H . . 3.750 2.188 2.083 2.632 . 0 0 "[ . 1 . 2]" 1
289 1 64 GLU HA 1 65 CYS H . . 3.450 2.857 2.681 2.917 . 0 0 "[ . 1 . 2]" 1
290 1 64 GLU HB2 1 65 CYS H . . 4.800 4.334 4.104 4.623 . 0 0 "[ . 1 . 2]" 1
291 1 64 GLU HB3 1 65 CYS H . . 4.800 4.432 4.153 4.656 . 0 0 "[ . 1 . 2]" 1
292 1 65 CYS H 1 65 CYS HB2 . . 3.280 2.287 2.162 2.754 . 0 0 "[ . 1 . 2]" 1
293 1 65 CYS H 1 65 CYS HB3 . . 3.280 2.866 2.455 2.975 . 0 0 "[ . 1 . 2]" 1
294 1 65 CYS H 1 66 PRO HD2 . . 5.030 4.760 4.736 4.835 . 0 0 "[ . 1 . 2]" 1
295 1 65 CYS H 1 66 PRO HD3 . . 5.030 4.803 4.770 4.888 . 0 0 "[ . 1 . 2]" 1
296 1 66 PRO QG 1 67 ARG H . . 3.610 2.647 2.270 3.130 . 0 0 "[ . 1 . 2]" 1
297 1 66 PRO HD2 1 67 ARG H . . 4.450 2.707 2.649 2.926 . 0 0 "[ . 1 . 2]" 1
298 1 66 PRO HD3 1 67 ARG H . . 4.450 3.873 3.836 3.990 . 0 0 "[ . 1 . 2]" 1
299 1 67 ARG H 1 67 ARG HB2 . . 3.670 2.537 2.270 3.571 . 0 0 "[ . 1 . 2]" 1
300 1 67 ARG H 1 67 ARG HB3 . . 3.670 3.574 2.771 3.691 0.021 14 0 "[ . 1 . 2]" 1
301 1 67 ARG H 1 67 ARG HG2 . . 3.910 2.634 1.911 3.762 . 0 0 "[ . 1 . 2]" 1
302 1 67 ARG H 1 67 ARG HG3 . . 3.910 3.427 1.894 3.898 . 0 0 "[ . 1 . 2]" 1
303 1 67 ARG H 1 68 GLU H . . 3.440 2.356 2.096 2.644 . 0 0 "[ . 1 . 2]" 1
304 1 67 ARG H 1 81 HIS HE1 . . 4.400 3.543 3.212 4.101 . 0 0 "[ . 1 . 2]" 1
305 1 67 ARG HB2 1 68 GLU H . . 4.830 3.127 2.743 4.137 . 0 0 "[ . 1 . 2]" 1
306 1 67 ARG HB2 1 70 LYS H . . 3.940 3.184 2.226 3.943 0.003 18 0 "[ . 1 . 2]" 1
307 1 67 ARG HB3 1 70 LYS H . . 3.940 2.868 2.063 3.944 0.004 20 0 "[ . 1 . 2]" 1
308 1 68 GLU H 1 68 GLU HG2 . . 3.630 3.151 2.715 3.467 . 0 0 "[ . 1 . 2]" 1
309 1 68 GLU H 1 68 GLU HG3 . . 3.630 3.096 2.717 3.451 . 0 0 "[ . 1 . 2]" 1
310 1 68 GLU H 1 69 GLY H . . 3.900 2.607 2.399 2.996 . 0 0 "[ . 1 . 2]" 1
311 1 68 GLU HA 1 69 GLY H . . 3.560 2.901 2.747 3.094 . 0 0 "[ . 1 . 2]" 1
312 1 69 GLY H 1 70 LYS H . . 3.640 2.729 2.186 2.977 . 0 0 "[ . 1 . 2]" 1
313 1 70 LYS H 1 70 LYS HB2 . . 3.640 2.372 2.144 3.137 . 0 0 "[ . 1 . 2]" 1
314 1 70 LYS H 1 70 LYS HB3 . . 3.640 3.396 2.245 3.602 . 0 0 "[ . 1 . 2]" 1
315 1 72 PHE H 1 72 PHE QD . . 4.000 2.647 2.062 3.315 . 0 0 "[ . 1 . 2]" 1
316 1 72 PHE HA 1 74 ALA H . . 4.310 4.182 3.857 4.283 . 0 0 "[ . 1 . 2]" 1
317 1 72 PHE HB2 1 74 ALA H . . 4.230 3.012 2.554 3.428 . 0 0 "[ . 1 . 2]" 1
318 1 72 PHE HB3 1 74 ALA H . . 4.230 2.599 2.160 4.029 . 0 0 "[ . 1 . 2]" 1
319 1 73 LYS HB2 1 74 ALA H . . 4.720 3.954 3.100 4.497 . 0 0 "[ . 1 . 2]" 1
320 1 73 LYS HB3 1 74 ALA H . . 4.720 3.910 3.047 4.627 . 0 0 "[ . 1 . 2]" 1
321 1 74 ALA MB 1 76 TYR H . . 4.000 2.949 2.705 3.271 . 0 0 "[ . 1 . 2]" 1
322 1 75 LYS QB 1 76 TYR H . . 3.960 2.394 2.111 2.968 . 0 0 "[ . 1 . 2]" 1
323 1 76 TYR H 1 76 TYR HB2 . . 3.880 3.575 3.519 3.633 . 0 0 "[ . 1 . 2]" 1
324 1 76 TYR H 1 76 TYR HB3 . . 3.730 2.551 2.309 2.911 . 0 0 "[ . 1 . 2]" 1
325 1 76 TYR H 1 76 TYR QD . . 3.610 2.328 1.944 2.728 . 0 0 "[ . 1 . 2]" 1
326 1 76 TYR H 1 77 LYS H . . 4.410 2.669 2.399 2.760 . 0 0 "[ . 1 . 2]" 1
327 1 76 TYR HA 1 80 ASN H . . 4.350 3.824 3.590 4.271 . 0 0 "[ . 1 . 2]" 1
328 1 77 LYS H 1 77 LYS HB2 . . 3.910 2.425 2.120 2.574 . 0 0 "[ . 1 . 2]" 1
329 1 77 LYS H 1 77 LYS HB3 . . 3.910 3.550 3.072 3.604 . 0 0 "[ . 1 . 2]" 1
330 1 77 LYS H 1 77 LYS QG . . 3.760 2.418 2.025 3.933 0.173 18 0 "[ . 1 . 2]" 1
331 1 77 LYS H 1 78 LEU H . . 3.970 2.584 2.392 2.703 . 0 0 "[ . 1 . 2]" 1
332 1 77 LYS HA 1 80 ASN H . . 4.210 4.004 3.598 4.161 . 0 0 "[ . 1 . 2]" 1
333 1 77 LYS HA 1 80 ASN HD21 . . 5.070 2.879 1.933 4.312 . 0 0 "[ . 1 . 2]" 1
334 1 77 LYS HA 1 80 ASN HD22 . . 5.070 3.970 2.236 5.050 . 0 0 "[ . 1 . 2]" 1
335 1 77 LYS HB2 1 78 LEU H . . 4.700 2.723 2.613 3.483 . 0 0 "[ . 1 . 2]" 1
336 1 74 ALA MB 1 78 LEU H . . 4.680 4.389 3.958 4.663 . 0 0 "[ . 1 . 2]" 1
337 1 78 LEU H 1 78 LEU MD2 . . 5.020 4.215 4.095 4.306 . 0 0 "[ . 1 . 2]" 1
338 1 77 LYS HB3 1 78 LEU H . . 4.700 3.598 2.950 3.831 . 0 0 "[ . 1 . 2]" 1
339 1 78 LEU H 1 79 VAL H . . 4.350 2.491 2.401 2.614 . 0 0 "[ . 1 . 2]" 1
340 1 78 LEU HA 1 81 HIS H . . 3.610 3.338 3.150 3.623 0.013 17 0 "[ . 1 . 2]" 1
341 1 78 LEU HB2 1 79 VAL H . . 4.540 3.968 3.750 4.118 . 0 0 "[ . 1 . 2]" 1
342 1 78 LEU HB3 1 79 VAL H . . 4.540 2.627 2.330 2.857 . 0 0 "[ . 1 . 2]" 1
343 1 79 VAL H 1 80 ASN H . . 3.650 2.811 2.696 2.967 . 0 0 "[ . 1 . 2]" 1
344 1 81 HIS H 1 82 ILE H . . 3.700 2.689 2.528 2.825 . 0 0 "[ . 1 . 2]" 1
345 1 79 VAL HA 1 82 ILE H . . 4.330 3.618 3.253 3.792 . 0 0 "[ . 1 . 2]" 1
346 1 81 HIS HB3 1 82 ILE H . . 4.530 2.805 2.644 3.015 . 0 0 "[ . 1 . 2]" 1
347 1 79 VAL HB 1 80 ASN H . . 3.530 2.605 2.240 2.869 . 0 0 "[ . 1 . 2]" 1
348 1 79 VAL MG1 1 80 ASN H . . 3.840 3.295 2.763 3.621 . 0 0 "[ . 1 . 2]" 1
349 1 79 VAL MG2 1 80 ASN H . . 3.930 3.890 3.649 3.934 0.004 15 0 "[ . 1 . 2]" 1
350 1 80 ASN H 1 80 ASN QB . . 3.120 2.244 2.082 2.427 . 0 0 "[ . 1 . 2]" 1
351 1 80 ASN H 1 81 HIS H . . 3.630 2.596 2.370 2.806 . 0 0 "[ . 1 . 2]" 1
352 1 80 ASN HA 1 83 ARG H . . 3.710 3.620 3.455 3.721 0.011 16 0 "[ . 1 . 2]" 1
353 1 80 ASN QB 1 81 HIS H . . 3.410 3.063 2.677 3.417 0.007 17 0 "[ . 1 . 2]" 1
354 1 81 HIS H 1 81 HIS HB2 . . 3.430 3.019 2.963 3.102 . 0 0 "[ . 1 . 2]" 1
355 1 81 HIS H 1 81 HIS HB3 . . 3.430 2.153 2.126 2.174 . 0 0 "[ . 1 . 2]" 1
356 1 81 HIS H 1 81 HIS HD2 . . 4.510 4.424 4.310 4.511 0.001 12 0 "[ . 1 . 2]" 1
357 1 81 HIS H 1 83 ARG H . . 4.210 3.959 3.818 4.166 . 0 0 "[ . 1 . 2]" 1
358 1 81 HIS HB2 1 82 ILE H . . 4.530 4.047 3.929 4.202 . 0 0 "[ . 1 . 2]" 1
359 1 82 ILE H 1 82 ILE HB . . 3.330 2.794 2.697 2.843 . 0 0 "[ . 1 . 2]" 1
360 1 78 LEU MD1 1 82 ILE H . . 4.110 3.470 3.105 3.770 . 0 0 "[ . 1 . 2]" 1
361 1 82 ILE H 1 82 ILE MD . . 3.920 3.602 3.574 3.650 . 0 0 "[ . 1 . 2]" 1
362 1 82 ILE H 1 83 ARG H . . 3.900 2.721 2.610 2.786 . 0 0 "[ . 1 . 2]" 1
363 1 82 ILE HA 1 84 VAL H . . 4.580 3.724 3.435 3.986 . 0 0 "[ . 1 . 2]" 1
364 1 82 ILE HA 1 85 HIS H . . 4.220 3.234 3.053 3.512 . 0 0 "[ . 1 . 2]" 1
365 1 82 ILE HB 1 83 ARG H . . 3.760 3.085 2.849 3.208 . 0 0 "[ . 1 . 2]" 1
366 1 82 ILE MG 1 85 HIS H . . 4.330 3.730 3.394 4.033 . 0 0 "[ . 1 . 2]" 1
367 1 82 ILE MD 1 83 ARG H . . 5.500 4.988 4.811 5.071 . 0 0 "[ . 1 . 2]" 1
368 1 83 ARG H 1 86 THR MG . . 5.500 4.741 4.433 5.373 . 0 0 "[ . 1 . 2]" 1
369 1 83 ARG H 1 83 ARG HB2 . . 4.030 2.631 2.382 2.754 . 0 0 "[ . 1 . 2]" 1
370 1 83 ARG H 1 83 ARG HG2 . . 3.680 2.096 1.868 3.631 . 0 0 "[ . 1 . 2]" 1
371 1 83 ARG H 1 83 ARG HG3 . . 3.680 3.460 3.197 3.781 0.101 11 0 "[ . 1 . 2]" 1
372 1 83 ARG H 1 84 VAL H . . 3.560 2.645 2.526 2.865 . 0 0 "[ . 1 . 2]" 1
373 1 84 VAL H 1 85 HIS H . . 3.380 2.421 2.276 2.612 . 0 0 "[ . 1 . 2]" 1
374 1 84 VAL H 1 86 THR H . . 4.310 4.040 3.936 4.129 . 0 0 "[ . 1 . 2]" 1
375 1 85 HIS H 1 85 HIS HB3 . . 3.590 3.573 3.532 3.657 0.067 10 0 "[ . 1 . 2]" 1
376 1 85 HIS H 1 85 HIS HB2 . . 3.480 2.327 2.245 2.475 . 0 0 "[ . 1 . 2]" 1
377 1 85 HIS H 1 85 HIS HD2 . . 4.400 4.245 3.720 4.412 0.012 9 0 "[ . 1 . 2]" 1
378 1 85 HIS H 1 86 THR H . . 3.330 2.486 2.203 2.594 . 0 0 "[ . 1 . 2]" 1
379 1 85 HIS H 1 87 GLY H . . 4.870 4.600 4.112 4.897 0.027 16 0 "[ . 1 . 2]" 1
380 1 85 HIS HB2 1 86 THR H . . 3.920 3.358 3.056 3.589 . 0 0 "[ . 1 . 2]" 1
381 1 86 THR H 1 86 THR HB . . 3.870 3.693 3.561 3.873 0.003 11 0 "[ . 1 . 2]" 1
382 1 86 THR H 1 86 THR HG1 . . 4.660 3.487 2.406 4.108 . 0 0 "[ . 1 . 2]" 1
383 1 86 THR HB 1 87 GLY H . . 4.140 3.445 2.567 4.195 0.055 14 0 "[ . 1 . 2]" 1
384 1 86 THR HB 1 88 GLU H . . 4.410 3.811 3.129 4.526 0.116 16 0 "[ . 1 . 2]" 1
385 1 86 THR HG1 1 87 GLY H . . 5.140 2.843 2.072 4.145 . 0 0 "[ . 1 . 2]" 1
386 1 86 THR MG 1 87 GLY H . . 4.120 3.557 3.277 4.228 0.108 14 0 "[ . 1 . 2]" 1
387 1 87 GLY H 1 88 GLU H . . 3.500 2.481 1.779 3.121 . 0 0 "[ . 1 . 2]" 1
388 1 88 GLU H 1 88 GLU QB . . 3.210 2.297 2.115 2.428 . 0 0 "[ . 1 . 2]" 1
389 1 88 GLU H 1 88 GLU HG3 . . 4.860 4.451 4.206 4.617 . 0 0 "[ . 1 . 2]" 1
390 1 88 GLU H 1 89 LYS H . . 4.710 4.466 4.286 4.632 . 0 0 "[ . 1 . 2]" 1
391 1 88 GLU HA 1 89 LYS H . . 3.120 2.177 2.138 2.308 . 0 0 "[ . 1 . 2]" 1
392 1 88 GLU QB 1 89 LYS H . . 3.810 3.652 3.277 3.812 0.002 3 0 "[ . 1 . 2]" 1
393 1 88 GLU HG2 1 89 LYS H . . 4.190 3.188 2.298 3.951 . 0 0 "[ . 1 . 2]" 1
394 1 88 GLU HG3 1 89 LYS H . . 4.190 3.368 2.276 4.188 . 0 0 "[ . 1 . 2]" 1
395 1 89 LYS H 1 101 ILE MD . . 5.380 5.040 4.285 5.388 0.008 7 0 "[ . 1 . 2]" 1
396 1 90 PRO HB2 1 91 PHE H . . 4.110 2.809 1.852 2.893 . 0 0 "[ . 1 . 2]" 1
397 1 90 PRO HB3 1 91 PHE H . . 4.110 3.840 3.324 3.886 . 0 0 "[ . 1 . 2]" 1
398 1 90 PRO HD2 1 91 PHE H . . 4.560 2.816 2.757 3.604 . 0 0 "[ . 1 . 2]" 1
399 1 90 PRO HD3 1 91 PHE H . . 4.560 3.902 3.874 4.291 . 0 0 "[ . 1 . 2]" 1
400 1 91 PHE H 1 91 PHE HB2 . . 3.870 3.748 3.519 3.964 0.094 18 0 "[ . 1 . 2]" 1
401 1 91 PHE H 1 91 PHE HB3 . . 3.880 3.724 3.358 3.822 . 0 0 "[ . 1 . 2]" 1
402 1 91 PHE H 1 91 PHE QD . . 3.840 2.705 1.905 3.244 . 0 0 "[ . 1 . 2]" 1
403 1 91 PHE H 1 92 PRO HD2 . . 5.010 4.726 4.583 4.824 . 0 0 "[ . 1 . 2]" 1
404 1 91 PHE H 1 91 PHE QE . . 4.490 4.050 3.497 4.309 . 0 0 "[ . 1 . 2]" 1
405 1 91 PHE H 1 102 PHE H . . 4.910 4.688 4.391 4.912 0.002 8 0 "[ . 1 . 2]" 1
406 1 89 LYS QE 1 102 PHE H . . 4.200 3.406 2.680 4.202 0.002 13 0 "[ . 1 . 2]" 1
407 1 92 PRO HA 1 93 CYS H . . 3.260 2.703 2.633 2.727 . 0 0 "[ . 1 . 2]" 1
408 1 92 PRO HA 1 102 PHE H . . 3.950 3.607 2.796 3.839 . 0 0 "[ . 1 . 2]" 1
409 1 92 PRO HB3 1 93 CYS H . . 4.140 3.160 3.144 3.213 . 0 0 "[ . 1 . 2]" 1
410 1 92 PRO HB2 1 93 CYS H . . 4.140 1.942 1.895 2.083 . 0 0 "[ . 1 . 2]" 1
411 1 93 CYS H 1 93 CYS HB3 . . 3.540 2.482 2.453 2.522 . 0 0 "[ . 1 . 2]" 1
412 1 93 CYS H 1 93 CYS HB2 . . 3.520 2.783 2.716 2.854 . 0 0 "[ . 1 . 2]" 1
413 1 93 CYS H 1 100 LYS H . . 4.410 3.989 3.665 4.322 . 0 0 "[ . 1 . 2]" 1
414 1 93 CYS H 1 101 ILE HA . . 3.710 3.442 2.850 3.628 . 0 0 "[ . 1 . 2]" 1
415 1 93 CYS H 1 108 LEU MD1 . . 4.250 4.184 3.941 4.259 0.009 1 0 "[ . 1 . 2]" 1
416 1 93 CYS H 1 102 PHE QD . . 5.240 4.996 4.254 5.180 . 0 0 "[ . 1 . 2]" 1
417 1 93 CYS H 1 102 PHE H . . 5.500 5.326 4.645 5.504 0.004 13 0 "[ . 1 . 2]" 1
418 1 93 CYS HB3 1 95 PHE H . . 4.600 3.274 3.125 3.702 . 0 0 "[ . 1 . 2]" 1
419 1 93 CYS HB3 1 100 LYS H . . 3.930 2.497 2.321 2.681 . 0 0 "[ . 1 . 2]" 1
420 1 93 CYS HB2 1 100 LYS H . . 4.020 3.297 3.136 3.622 . 0 0 "[ . 1 . 2]" 1
421 1 94 PRO HD2 1 95 PHE H . . 4.180 2.942 2.678 3.066 . 0 0 "[ . 1 . 2]" 1
422 1 94 PRO HD3 1 95 PHE H . . 4.450 3.998 3.858 4.063 . 0 0 "[ . 1 . 2]" 1
423 1 95 PHE H 1 95 PHE HB2 . . 2.970 2.492 2.289 2.647 . 0 0 "[ . 1 . 2]" 1
424 1 95 PHE H 1 95 PHE HB3 . . 2.960 2.782 2.647 2.877 . 0 0 "[ . 1 . 2]" 1
425 1 95 PHE H 1 96 PRO HD3 . . 5.030 4.802 4.689 4.851 . 0 0 "[ . 1 . 2]" 1
426 1 95 PHE H 1 98 CYS HB2 . . 5.070 4.631 4.325 4.747 . 0 0 "[ . 1 . 2]" 1
427 1 95 PHE H 1 98 CYS HB3 . . 5.070 3.798 3.568 3.969 . 0 0 "[ . 1 . 2]" 1
428 1 95 PHE H 1 115 HIS HD2 . . 4.980 4.766 4.116 5.003 0.023 13 0 "[ . 1 . 2]" 1
429 1 96 PRO HA 1 98 CYS H . . 4.110 3.717 3.436 3.928 . 0 0 "[ . 1 . 2]" 1
430 1 97 GLY H 1 98 CYS H . . 4.640 3.024 2.549 3.297 . 0 0 "[ . 1 . 2]" 1
431 1 98 CYS H 1 98 CYS HB2 . . 3.330 2.917 2.522 3.101 . 0 0 "[ . 1 . 2]" 1
432 1 98 CYS H 1 98 CYS HB3 . . 3.330 2.763 2.559 2.906 . 0 0 "[ . 1 . 2]" 1
433 1 98 CYS H 1 99 GLY H . . 3.530 2.216 1.937 2.423 . 0 0 "[ . 1 . 2]" 1
434 1 98 CYS H 1 99 GLY HA2 . . 4.860 4.368 4.154 4.717 . 0 0 "[ . 1 . 2]" 1
435 1 98 CYS H 1 99 GLY HA3 . . 4.860 4.368 4.120 4.870 0.010 10 0 "[ . 1 . 2]" 1
436 1 98 CYS H 1 100 LYS H . . 4.740 4.513 4.309 4.717 . 0 0 "[ . 1 . 2]" 1
437 1 100 LYS H 1 102 PHE QE . . 5.110 4.867 4.587 5.111 0.001 8 0 "[ . 1 . 2]" 1
438 1 98 CYS HA 1 100 LYS H . . 4.500 4.119 3.945 4.272 . 0 0 "[ . 1 . 2]" 1
439 1 98 CYS HB2 1 99 GLY H . . 4.070 3.696 3.485 3.975 . 0 0 "[ . 1 . 2]" 1
440 1 98 CYS HB3 1 99 GLY H . . 4.070 2.418 2.001 2.942 . 0 0 "[ . 1 . 2]" 1
441 1 98 CYS HB2 1 100 LYS H . . 4.270 4.244 4.144 4.273 0.003 4 0 "[ . 1 . 2]" 1
442 1 98 CYS HB3 1 100 LYS H . . 4.270 2.750 2.631 2.850 . 0 0 "[ . 1 . 2]" 1
443 1 99 GLY H 1 100 LYS H . . 3.820 2.794 2.627 2.970 . 0 0 "[ . 1 . 2]" 1
444 1 100 LYS H 1 100 LYS HB2 . . 3.550 2.933 2.827 2.988 . 0 0 "[ . 1 . 2]" 1
445 1 100 LYS H 1 100 LYS HB3 . . 3.550 2.359 2.305 2.459 . 0 0 "[ . 1 . 2]" 1
446 1 100 LYS H 1 101 ILE H . . 4.800 4.574 4.529 4.602 . 0 0 "[ . 1 . 2]" 1
447 1 101 ILE H 1 102 PHE H . . 5.170 4.391 4.332 4.446 . 0 0 "[ . 1 . 2]" 1
448 1 100 LYS HA 1 101 ILE H . . 2.940 2.275 2.198 2.307 . 0 0 "[ . 1 . 2]" 1
449 1 101 ILE H 1 101 ILE HB . . 3.210 2.994 2.922 3.045 . 0 0 "[ . 1 . 2]" 1
450 1 100 LYS HB3 1 101 ILE H . . 4.680 3.980 3.919 4.078 . 0 0 "[ . 1 . 2]" 1
451 1 101 ILE H 1 101 ILE HG12 . . 3.730 3.631 3.396 3.733 0.003 2 0 "[ . 1 . 2]" 1
452 1 101 ILE HA 1 102 PHE H . . 3.220 2.263 2.191 2.362 . 0 0 "[ . 1 . 2]" 1
453 1 100 LYS QG 1 102 PHE H . . 5.500 4.440 4.179 4.859 . 0 0 "[ . 1 . 2]" 1
454 1 101 ILE HG13 1 102 PHE H . . 5.500 5.094 4.992 5.198 . 0 0 "[ . 1 . 2]" 1
455 1 102 PHE H 1 102 PHE HB3 . . 4.150 3.866 3.804 3.934 . 0 0 "[ . 1 . 2]" 1
456 1 102 PHE H 1 102 PHE QD . . 3.480 2.140 1.922 2.391 . 0 0 "[ . 1 . 2]" 1
457 1 102 PHE HB3 1 104 ARG H . . 3.680 2.734 2.617 2.838 . 0 0 "[ . 1 . 2]" 1
458 1 108 LEU H 1 108 LEU MD2 . . 4.330 4.217 4.118 4.273 . 0 0 "[ . 1 . 2]" 1
459 1 103 ALA H 1 104 ARG H . . 4.800 2.469 2.135 2.672 . 0 0 "[ . 1 . 2]" 1
460 1 103 ALA MB 1 104 ARG H . . 3.420 3.162 3.061 3.344 . 0 0 "[ . 1 . 2]" 1
461 1 104 ARG H 1 104 ARG HB2 . . 3.900 2.688 2.341 3.002 . 0 0 "[ . 1 . 2]" 1
462 1 104 ARG H 1 104 ARG HB3 . . 3.900 3.194 2.544 3.848 . 0 0 "[ . 1 . 2]" 1
463 1 104 ARG H 1 104 ARG QG . . 4.150 3.595 2.297 4.141 . 0 0 "[ . 1 . 2]" 1
464 1 104 ARG H 1 107 ASN H . . 4.620 4.510 4.376 4.627 0.007 20 0 "[ . 1 . 2]" 1
465 1 104 ARG H 1 107 ASN HB2 . . 4.240 3.059 2.964 3.154 . 0 0 "[ . 1 . 2]" 1
466 1 102 PHE HB2 1 104 ARG H . . 3.680 3.141 2.846 3.649 . 0 0 "[ . 1 . 2]" 1
467 1 104 ARG H 1 107 ASN HB3 . . 4.240 4.215 4.010 4.244 0.004 19 0 "[ . 1 . 2]" 1
468 1 104 ARG HA 1 107 ASN H . . 4.740 4.434 4.245 4.592 . 0 0 "[ . 1 . 2]" 1
469 1 104 ARG QG 1 107 ASN H . . 4.400 3.493 1.929 4.404 0.004 19 0 "[ . 1 . 2]" 1
470 1 104 ARG HB3 1 107 ASN H . . 4.200 2.658 2.236 3.503 . 0 0 "[ . 1 . 2]" 1
471 1 108 LEU H 1 109 LYS QB . . 5.500 4.680 4.514 4.921 . 0 0 "[ . 1 . 2]" 1
472 1 108 LEU H 1 108 LEU MD1 . . 4.100 4.035 3.895 4.103 0.003 19 0 "[ . 1 . 2]" 1
473 1 105 SER HA 1 109 LYS H . . 4.450 4.158 3.725 4.454 0.004 20 0 "[ . 1 . 2]" 1
474 1 106 GLU HA 1 108 LEU H . . 4.940 4.432 3.973 4.846 . 0 0 "[ . 1 . 2]" 1
475 1 106 GLU HA 1 109 LYS H . . 4.000 3.660 3.225 3.973 . 0 0 "[ . 1 . 2]" 1
476 1 106 GLU HA 1 110 ILE H . . 4.660 3.885 3.647 4.099 . 0 0 "[ . 1 . 2]" 1
477 1 104 ARG HB2 1 107 ASN H . . 4.200 3.562 2.292 4.200 0.000 17 0 "[ . 1 . 2]" 1
478 1 106 GLU QG 1 107 ASN H . . 4.280 3.614 1.987 4.262 . 0 0 "[ . 1 . 2]" 1
479 1 107 ASN H 1 107 ASN HB2 . . 3.630 2.236 2.176 2.380 . 0 0 "[ . 1 . 2]" 1
480 1 107 ASN H 1 107 ASN HB3 . . 3.630 3.523 3.486 3.574 . 0 0 "[ . 1 . 2]" 1
481 1 107 ASN H 1 108 LEU H . . 3.370 2.649 2.408 2.806 . 0 0 "[ . 1 . 2]" 1
482 1 107 ASN H 1 109 LYS H . . 4.490 4.300 4.091 4.490 0.000 19 0 "[ . 1 . 2]" 1
483 1 107 ASN HA 1 110 ILE H . . 3.950 3.779 3.638 3.938 . 0 0 "[ . 1 . 2]" 1
484 1 107 ASN HA 1 111 HIS H . . 4.400 4.170 3.932 4.405 0.005 19 0 "[ . 1 . 2]" 1
485 1 108 LEU H 1 108 LEU HB2 . . 3.630 2.512 2.360 2.688 . 0 0 "[ . 1 . 2]" 1
486 1 108 LEU H 1 108 LEU HB3 . . 3.630 2.519 2.379 2.669 . 0 0 "[ . 1 . 2]" 1
487 1 108 LEU H 1 108 LEU HG . . 4.980 4.514 4.406 4.602 . 0 0 "[ . 1 . 2]" 1
488 1 108 LEU H 1 109 LYS H . . 3.510 2.712 2.494 2.894 . 0 0 "[ . 1 . 2]" 1
489 1 108 LEU H 1 110 ILE H . . 4.570 4.093 3.588 4.338 . 0 0 "[ . 1 . 2]" 1
490 1 108 LEU HA 1 111 HIS H . . 3.770 3.377 3.147 3.550 . 0 0 "[ . 1 . 2]" 1
491 1 108 LEU HA 1 112 LYS H . . 4.360 4.048 3.633 4.272 . 0 0 "[ . 1 . 2]" 1
492 1 108 LEU HB2 1 109 LYS H . . 3.800 3.722 3.613 3.802 0.002 20 0 "[ . 1 . 2]" 1
493 1 108 LEU HB3 1 109 LYS H . . 3.800 2.350 2.169 2.548 . 0 0 "[ . 1 . 2]" 1
494 1 109 LYS H 1 110 ILE H . . 3.700 2.779 2.619 2.936 . 0 0 "[ . 1 . 2]" 1
495 1 109 LYS H 1 111 HIS H . . 4.470 4.011 3.872 4.200 . 0 0 "[ . 1 . 2]" 1
496 1 109 LYS HA 1 111 HIS H . . 4.420 4.244 4.035 4.417 . 0 0 "[ . 1 . 2]" 1
497 1 109 LYS HA 1 112 LYS H . . 4.130 3.510 3.351 3.841 . 0 0 "[ . 1 . 2]" 1
498 1 110 ILE H 1 110 ILE HB . . 3.160 2.419 2.378 2.459 . 0 0 "[ . 1 . 2]" 1
499 1 110 ILE H 1 110 ILE HG13 . . 3.410 2.393 2.236 2.606 . 0 0 "[ . 1 . 2]" 1
500 1 110 ILE H 1 110 ILE MG . . 3.750 3.743 3.727 3.751 0.001 13 0 "[ . 1 . 2]" 1
501 1 110 ILE H 1 110 ILE HG12 . . 3.870 3.737 3.607 3.871 0.001 19 0 "[ . 1 . 2]" 1
502 1 110 ILE H 1 111 HIS H . . 3.470 2.528 2.333 2.740 . 0 0 "[ . 1 . 2]" 1
503 1 110 ILE MG 1 111 HIS H . . 3.710 3.508 3.335 3.644 . 0 0 "[ . 1 . 2]" 1
504 1 108 LEU MD1 1 111 HIS H . . 4.260 4.091 3.740 4.258 . 0 0 "[ . 1 . 2]" 1
505 1 110 ILE HB 1 111 HIS H . . 3.460 2.900 2.702 3.033 . 0 0 "[ . 1 . 2]" 1
506 1 111 HIS H 1 111 HIS QB . . 3.030 2.175 2.131 2.251 . 0 0 "[ . 1 . 2]" 1
507 1 111 HIS H 1 112 LYS H . . 3.670 2.427 2.356 2.610 . 0 0 "[ . 1 . 2]" 1
508 1 111 HIS H 1 113 ARG H . . 4.220 4.003 3.809 4.137 . 0 0 "[ . 1 . 2]" 1
509 1 111 HIS HA 1 114 THR H . . 4.320 3.395 2.984 3.676 . 0 0 "[ . 1 . 2]" 1
510 1 111 HIS QB 1 112 LYS H . . 3.520 2.951 2.522 3.181 . 0 0 "[ . 1 . 2]" 1
511 1 112 LYS H 1 112 LYS HB2 . . 3.140 2.279 2.149 2.471 . 0 0 "[ . 1 . 2]" 1
512 1 112 LYS H 1 112 LYS HG3 . . 3.770 2.839 2.369 3.262 . 0 0 "[ . 1 . 2]" 1
513 1 112 LYS H 1 113 ARG H . . 3.520 2.521 2.337 2.876 . 0 0 "[ . 1 . 2]" 1
514 1 112 LYS HA 1 114 THR H . . 4.450 4.073 3.676 4.472 0.022 19 0 "[ . 1 . 2]" 1
515 1 112 LYS HA 1 115 HIS H . . 3.970 3.553 3.241 3.971 0.001 9 0 "[ . 1 . 2]" 1
516 1 112 LYS HB2 1 113 ARG H . . 3.280 2.938 2.780 3.101 . 0 0 "[ . 1 . 2]" 1
517 1 113 ARG H 1 113 ARG HG2 . . 3.450 1.993 1.900 2.343 . 0 0 "[ . 1 . 2]" 1
518 1 113 ARG H 1 113 ARG HG3 . . 3.450 2.883 2.648 3.420 . 0 0 "[ . 1 . 2]" 1
519 1 113 ARG H 1 113 ARG QD . . 4.090 3.884 3.655 4.074 . 0 0 "[ . 1 . 2]" 1
520 1 113 ARG H 1 114 THR H . . 3.460 2.460 2.301 2.703 . 0 0 "[ . 1 . 2]" 1
521 1 113 ARG HA 1 115 HIS H . . 4.230 3.814 3.379 4.339 0.109 19 0 "[ . 1 . 2]" 1
522 1 113 ARG HG3 1 114 THR H . . 4.700 2.480 2.120 3.050 . 0 0 "[ . 1 . 2]" 1
523 1 113 ARG HB3 1 114 THR H . . 4.440 4.143 4.007 4.290 . 0 0 "[ . 1 . 2]" 1
524 1 113 ARG HG2 1 114 THR H . . 4.700 3.116 2.606 3.521 . 0 0 "[ . 1 . 2]" 1
525 1 114 THR H 1 114 THR HB . . 3.850 2.588 2.405 2.789 . 0 0 "[ . 1 . 2]" 1
526 1 114 THR H 1 115 HIS H . . 3.310 2.401 2.138 2.616 . 0 0 "[ . 1 . 2]" 1
527 1 114 THR HB 1 115 HIS H . . 4.330 4.164 3.973 4.319 . 0 0 "[ . 1 . 2]" 1
528 1 114 THR MG 1 115 HIS H . . 4.060 2.523 2.117 2.839 . 0 0 "[ . 1 . 2]" 1
529 1 115 HIS H 1 115 HIS HB2 . . 3.740 2.573 2.165 3.637 . 0 0 "[ . 1 . 2]" 1
530 1 115 HIS H 1 115 HIS HB3 . . 3.740 3.260 2.457 3.679 . 0 0 "[ . 1 . 2]" 1
531 1 115 HIS H 1 116 THR H . . 3.920 2.634 1.901 3.472 . 0 0 "[ . 1 . 2]" 1
532 1 118 GLU H 1 118 GLU HB2 . . 3.820 2.866 2.320 3.636 . 0 0 "[ . 1 . 2]" 1
533 1 118 GLU H 1 118 GLU HB3 . . 3.820 2.980 2.286 3.748 . 0 0 "[ . 1 . 2]" 1
534 1 118 GLU H 1 118 GLU HG2 . . 4.560 3.540 2.069 4.564 0.004 15 0 "[ . 1 . 2]" 1
535 1 118 GLU H 1 118 GLU HG3 . . 4.560 3.805 2.056 4.559 . 0 0 "[ . 1 . 2]" 1
536 1 121 PHE H 1 133 ALA HA . . 3.660 3.329 2.621 3.662 0.002 20 0 "[ . 1 . 2]" 1
537 1 121 PHE H 1 132 PHE HB2 . . 4.460 4.227 4.000 4.398 . 0 0 "[ . 1 . 2]" 1
538 1 120 PRO HB3 1 121 PHE H . . 4.470 4.015 3.880 4.312 . 0 0 "[ . 1 . 2]" 1
539 1 120 PRO HB2 1 121 PHE H . . 4.030 3.117 2.881 3.631 . 0 0 "[ . 1 . 2]" 1
540 1 120 PRO HG2 1 121 PHE H . . 4.190 2.142 1.905 2.775 . 0 0 "[ . 1 . 2]" 1
541 1 120 PRO HG3 1 121 PHE H . . 4.190 3.712 3.533 4.184 . 0 0 "[ . 1 . 2]" 1
542 1 120 PRO HD3 1 121 PHE H . . 4.050 3.855 3.836 3.883 . 0 0 "[ . 1 . 2]" 1
543 1 120 PRO HD2 1 121 PHE H . . 3.740 2.701 2.647 2.763 . 0 0 "[ . 1 . 2]" 1
544 1 121 PHE H 1 121 PHE HB2 . . 3.230 2.490 2.294 2.680 . 0 0 "[ . 1 . 2]" 1
545 1 121 PHE H 1 121 PHE HB3 . . 3.800 3.684 3.559 3.801 0.001 10 0 "[ . 1 . 2]" 1
546 1 121 PHE H 1 121 PHE QD . . 3.470 2.681 2.057 3.364 . 0 0 "[ . 1 . 2]" 1
547 1 121 PHE H 1 122 LYS H . . 4.550 4.254 3.804 4.476 . 0 0 "[ . 1 . 2]" 1
548 1 121 PHE H 1 132 PHE H . . 3.760 3.645 3.431 3.759 . 0 0 "[ . 1 . 2]" 1
549 1 121 PHE HA 1 122 LYS H . . 2.970 2.165 2.138 2.267 . 0 0 "[ . 1 . 2]" 1
550 1 121 PHE HB2 1 122 LYS H . . 4.610 4.374 3.923 4.515 . 0 0 "[ . 1 . 2]" 1
551 1 121 PHE HB2 1 132 PHE H . . 3.950 3.489 3.289 3.677 . 0 0 "[ . 1 . 2]" 1
552 1 121 PHE HB3 1 132 PHE H . . 4.380 4.302 4.121 4.379 . 0 0 "[ . 1 . 2]" 1
553 1 122 LYS H 1 122 LYS HB2 . . 3.490 3.088 2.696 3.475 . 0 0 "[ . 1 . 2]" 1
554 1 122 LYS H 1 122 LYS HB3 . . 3.490 2.584 2.266 2.866 . 0 0 "[ . 1 . 2]" 1
555 1 122 LYS H 1 122 LYS HG2 . . 5.090 4.331 3.470 4.771 . 0 0 "[ . 1 . 2]" 1
556 1 122 LYS HA 1 123 CYS H . . 3.230 2.180 2.153 2.195 . 0 0 "[ . 1 . 2]" 1
557 1 122 LYS HA 1 132 PHE H . . 3.730 3.360 3.105 3.723 . 0 0 "[ . 1 . 2]" 1
558 1 122 LYS QD 1 123 CYS H . . 5.150 4.514 3.887 4.788 . 0 0 "[ . 1 . 2]" 1
559 1 122 LYS HB3 1 123 CYS H . . 4.660 4.128 3.874 4.378 . 0 0 "[ . 1 . 2]" 1
560 1 122 LYS HG2 1 123 CYS H . . 3.830 3.081 2.313 3.789 . 0 0 "[ . 1 . 2]" 1
561 1 122 LYS HG3 1 123 CYS H . . 3.830 2.986 2.324 3.830 . 0 0 "[ . 1 . 2]" 1
562 1 123 CYS H 1 123 CYS HB2 . . 3.350 2.427 2.327 2.539 . 0 0 "[ . 1 . 2]" 1
563 1 123 CYS H 1 123 CYS HB3 . . 3.390 2.688 2.546 2.834 . 0 0 "[ . 1 . 2]" 1
564 1 123 CYS H 1 124 GLU H . . 4.640 4.457 4.320 4.572 . 0 0 "[ . 1 . 2]" 1
565 1 123 CYS H 1 130 ARG H . . 4.720 3.808 3.565 4.137 . 0 0 "[ . 1 . 2]" 1
566 1 123 CYS HA 1 124 GLU H . . 3.130 2.147 2.140 2.176 . 0 0 "[ . 1 . 2]" 1
567 1 123 CYS HA 1 125 PHE H . . 3.730 3.428 3.282 3.591 . 0 0 "[ . 1 . 2]" 1
568 1 123 CYS HB2 1 124 GLU H . . 4.450 4.342 4.225 4.436 . 0 0 "[ . 1 . 2]" 1
569 1 123 CYS HB3 1 124 GLU H . . 4.510 4.274 4.023 4.427 . 0 0 "[ . 1 . 2]" 1
570 1 123 CYS HB2 1 125 PHE H . . 4.790 4.290 4.256 4.323 . 0 0 "[ . 1 . 2]" 1
571 1 123 CYS HB3 1 125 PHE H . . 4.340 3.606 3.412 3.843 . 0 0 "[ . 1 . 2]" 1
572 1 128 CYS HB3 1 130 ARG H . . 5.060 4.810 4.701 4.975 . 0 0 "[ . 1 . 2]" 1
573 1 124 GLU H 1 124 GLU HB3 . . 4.100 3.260 2.643 3.621 . 0 0 "[ . 1 . 2]" 1
574 1 124 GLU H 1 124 GLU HG2 . . 3.810 2.432 1.974 3.177 . 0 0 "[ . 1 . 2]" 1
575 1 124 GLU H 1 124 GLU HG3 . . 3.810 2.350 1.967 2.846 . 0 0 "[ . 1 . 2]" 1
576 1 124 GLU H 1 125 PHE H . . 3.460 2.579 2.406 2.785 . 0 0 "[ . 1 . 2]" 1
577 1 124 GLU H 1 138 ARG HD2 . . 3.920 2.490 1.939 2.917 . 0 0 "[ . 1 . 2]" 1
578 1 124 GLU H 1 138 ARG HD3 . . 3.950 3.738 3.137 3.930 . 0 0 "[ . 1 . 2]" 1
579 1 124 GLU HB3 1 125 PHE H . . 4.890 4.343 4.158 4.476 . 0 0 "[ . 1 . 2]" 1
580 1 125 PHE H 1 125 PHE HB2 . . 2.950 2.274 2.257 2.288 . 0 0 "[ . 1 . 2]" 1
581 1 125 PHE H 1 125 PHE HB3 . . 2.980 2.860 2.852 2.875 . 0 0 "[ . 1 . 2]" 1
582 1 125 PHE H 1 141 HIS HD2 . . 5.250 4.757 4.467 4.880 . 0 0 "[ . 1 . 2]" 1
583 1 125 PHE H 1 125 PHE QD . . 4.030 4.020 3.991 4.030 0.000 9 0 "[ . 1 . 2]" 1
584 1 125 PHE H 1 126 GLU H . . 4.660 4.511 4.408 4.605 . 0 0 "[ . 1 . 2]" 1
585 1 125 PHE H 1 128 CYS HB3 . . 4.280 4.030 3.841 4.244 . 0 0 "[ . 1 . 2]" 1
586 1 125 PHE H 1 128 CYS HB2 . . 4.840 4.788 4.711 4.841 0.001 20 0 "[ . 1 . 2]" 1
587 1 125 PHE HA 1 126 GLU H . . 2.830 2.151 2.140 2.211 . 0 0 "[ . 1 . 2]" 1
588 1 125 PHE HB2 1 126 GLU H . . 4.650 4.431 4.266 4.535 . 0 0 "[ . 1 . 2]" 1
589 1 125 PHE HB3 1 126 GLU H . . 4.190 3.970 3.698 4.128 . 0 0 "[ . 1 . 2]" 1
590 1 125 PHE HB3 1 128 CYS H . . 4.440 4.148 3.945 4.298 . 0 0 "[ . 1 . 2]" 1
591 1 126 GLU H 1 126 GLU HB2 . . 3.390 2.741 2.250 3.374 . 0 0 "[ . 1 . 2]" 1
592 1 126 GLU H 1 126 GLU HB3 . . 3.390 2.403 2.072 2.851 . 0 0 "[ . 1 . 2]" 1
593 1 126 GLU H 1 127 GLY H . . 4.660 4.624 4.584 4.643 . 0 0 "[ . 1 . 2]" 1
594 1 126 GLU HA 1 127 GLY H . . 3.250 2.266 2.178 2.356 . 0 0 "[ . 1 . 2]" 1
595 1 126 GLU HA 1 128 CYS H . . 3.900 3.236 3.106 3.379 . 0 0 "[ . 1 . 2]" 1
596 1 126 GLU HB3 1 127 GLY H . . 4.720 3.968 3.465 4.302 . 0 0 "[ . 1 . 2]" 1
597 1 126 GLU QG 1 127 GLY H . . 4.400 2.544 1.938 3.451 . 0 0 "[ . 1 . 2]" 1
598 1 127 GLY H 1 128 CYS H . . 3.430 2.621 2.420 2.772 . 0 0 "[ . 1 . 2]" 1
599 1 128 CYS H 1 128 CYS HB3 . . 3.110 2.846 2.733 2.932 . 0 0 "[ . 1 . 2]" 1
600 1 128 CYS H 1 128 CYS HB2 . . 3.200 2.744 2.624 2.906 . 0 0 "[ . 1 . 2]" 1
601 1 125 PHE QD 1 128 CYS H . . 4.180 3.990 3.750 4.172 . 0 0 "[ . 1 . 2]" 1
602 1 128 CYS H 1 129 ASP H . . 4.690 4.475 4.428 4.550 . 0 0 "[ . 1 . 2]" 1
603 1 128 CYS HA 1 129 ASP H . . 3.030 2.232 2.191 2.299 . 0 0 "[ . 1 . 2]" 1
604 1 128 CYS HB3 1 129 ASP H . . 4.350 3.700 3.523 3.920 . 0 0 "[ . 1 . 2]" 1
605 1 128 CYS HB2 1 129 ASP H . . 4.290 4.200 4.069 4.290 . 0 0 "[ . 1 . 2]" 1
606 1 129 ASP H 1 129 ASP QB . . 3.500 2.689 2.451 3.118 . 0 0 "[ . 1 . 2]" 1
607 1 129 ASP H 1 130 ARG H . . 4.130 4.095 4.061 4.128 . 0 0 "[ . 1 . 2]" 1
608 1 129 ASP H 1 130 ARG HG3 . . 4.850 4.747 4.642 4.853 0.003 13 0 "[ . 1 . 2]" 1
609 1 129 ASP H 1 130 ARG HG2 . . 4.900 3.175 3.071 3.261 . 0 0 "[ . 1 . 2]" 1
610 1 129 ASP QB 1 130 ARG H . . 4.210 3.632 3.506 3.941 . 0 0 "[ . 1 . 2]" 1
611 1 130 ARG H 1 130 ARG HB2 . . 3.050 2.936 2.859 2.978 . 0 0 "[ . 1 . 2]" 1
612 1 130 ARG H 1 130 ARG HB3 . . 3.960 3.934 3.900 3.961 0.001 20 0 "[ . 1 . 2]" 1
613 1 130 ARG H 1 130 ARG HG2 . . 3.150 3.041 2.890 3.150 . 0 0 "[ . 1 . 2]" 1
614 1 130 ARG H 1 131 ARG H . . 4.600 4.383 4.351 4.407 . 0 0 "[ . 1 . 2]" 1
615 1 130 ARG HA 1 131 ARG H . . 2.720 2.576 2.421 2.667 . 0 0 "[ . 1 . 2]" 1
616 1 130 ARG HB2 1 131 ARG H . . 3.570 3.161 3.012 3.394 . 0 0 "[ . 1 . 2]" 1
617 1 130 ARG QD 1 131 ARG H . . 3.860 3.669 3.541 3.861 0.001 19 0 "[ . 1 . 2]" 1
618 1 131 ARG H 1 131 ARG HB2 . . 4.160 3.572 2.934 3.990 . 0 0 "[ . 1 . 2]" 1
619 1 131 ARG H 1 132 PHE H . . 4.680 4.198 3.930 4.344 . 0 0 "[ . 1 . 2]" 1
620 1 131 ARG HA 1 132 PHE H . . 3.040 2.177 2.139 2.290 . 0 0 "[ . 1 . 2]" 1
621 1 131 ARG HB2 1 132 PHE H . . 4.310 3.464 2.726 4.122 . 0 0 "[ . 1 . 2]" 1
622 1 131 ARG HB3 1 132 PHE H . . 4.310 3.748 3.070 4.247 . 0 0 "[ . 1 . 2]" 1
623 1 132 PHE H 1 132 PHE HB3 . . 4.010 3.899 3.791 3.982 . 0 0 "[ . 1 . 2]" 1
624 1 132 PHE H 1 132 PHE HB2 . . 3.570 2.897 2.673 3.056 . 0 0 "[ . 1 . 2]" 1
625 1 132 PHE H 1 132 PHE QD . . 3.400 3.271 3.061 3.399 . 0 0 "[ . 1 . 2]" 1
626 1 132 PHE HB3 1 133 ALA H . . 4.950 2.639 2.463 2.879 . 0 0 "[ . 1 . 2]" 1
627 1 132 PHE HB2 1 133 ALA H . . 5.120 3.582 3.336 3.895 . 0 0 "[ . 1 . 2]" 1
628 1 132 PHE HB3 1 134 ASN H . . 3.430 2.796 2.654 3.089 . 0 0 "[ . 1 . 2]" 1
629 1 132 PHE HB2 1 134 ASN H . . 3.830 3.667 3.302 3.833 0.003 20 0 "[ . 1 . 2]" 1
630 1 132 PHE HB3 1 138 ARG H . . 4.270 3.216 2.950 3.581 . 0 0 "[ . 1 . 2]" 1
631 1 138 ARG H 1 139 LYS QB . . 4.970 4.568 4.417 4.871 . 0 0 "[ . 1 . 2]" 1
632 1 138 ARG H 1 140 LYS HB2 . . 5.400 4.756 4.371 5.006 . 0 0 "[ . 1 . 2]" 1
633 1 133 ALA H 1 134 ASN H . . 3.920 2.004 1.889 2.223 . 0 0 "[ . 1 . 2]" 1
634 1 133 ALA MB 1 134 ASN H . . 3.450 3.091 2.963 3.220 . 0 0 "[ . 1 . 2]" 1
635 1 121 PHE HB2 1 134 ASN H . . 4.220 3.619 3.283 4.104 . 0 0 "[ . 1 . 2]" 1
636 1 134 ASN H 1 137 ASP HB3 . . 4.640 3.730 3.185 4.555 . 0 0 "[ . 1 . 2]" 1
637 1 134 ASN H 1 137 ASP H . . 4.530 4.050 3.815 4.195 . 0 0 "[ . 1 . 2]" 1
638 1 134 ASN H 1 138 ARG H . . 4.610 4.271 4.015 4.586 . 0 0 "[ . 1 . 2]" 1
639 1 134 ASN HB3 1 134 ASN HD21 . . 3.650 2.466 2.258 2.617 . 0 0 "[ . 1 . 2]" 1
640 1 134 ASN HB3 1 134 ASN HD22 . . 3.650 3.576 3.490 3.641 . 0 0 "[ . 1 . 2]" 1
641 1 137 ASP H 1 137 ASP HB3 . . 3.640 3.166 2.782 3.545 . 0 0 "[ . 1 . 2]" 1
642 1 134 ASN HD21 1 137 ASP H . . 5.100 4.667 4.219 5.096 . 0 0 "[ . 1 . 2]" 1
643 1 134 ASN HD22 1 137 ASP H . . 5.100 4.120 3.526 4.655 . 0 0 "[ . 1 . 2]" 1
644 1 135 SER HA 1 138 ARG H . . 3.700 3.446 3.155 3.697 . 0 0 "[ . 1 . 2]" 1
645 1 135 SER HA 1 139 LYS H . . 4.350 4.053 3.797 4.335 . 0 0 "[ . 1 . 2]" 1
646 1 136 SER HA 1 138 ARG H . . 4.780 4.574 3.830 4.776 . 0 0 "[ . 1 . 2]" 1
647 1 136 SER HA 1 139 LYS H . . 3.900 3.699 3.255 3.862 . 0 0 "[ . 1 . 2]" 1
648 1 136 SER HA 1 140 LYS H . . 4.680 4.451 3.910 4.680 0.000 20 0 "[ . 1 . 2]" 1
649 1 136 SER QB 1 137 ASP H . . 3.500 2.517 2.230 3.177 . 0 0 "[ . 1 . 2]" 1
650 1 137 ASP H 1 137 ASP HB2 . . 3.240 2.235 2.180 2.334 . 0 0 "[ . 1 . 2]" 1
651 1 137 ASP H 1 138 ARG H . . 3.350 2.741 2.534 2.927 . 0 0 "[ . 1 . 2]" 1
652 1 137 ASP H 1 139 LYS H . . 4.840 4.304 3.911 4.618 . 0 0 "[ . 1 . 2]" 1
653 1 137 ASP HA 1 140 LYS H . . 3.830 3.401 3.207 3.773 . 0 0 "[ . 1 . 2]" 1
654 1 132 PHE HB2 1 138 ARG H . . 4.260 3.791 3.536 4.194 . 0 0 "[ . 1 . 2]" 1
655 1 137 ASP HB2 1 138 ARG H . . 4.450 3.200 2.565 3.664 . 0 0 "[ . 1 . 2]" 1
656 1 137 ASP HB3 1 138 ARG H . . 3.600 2.850 2.318 3.577 . 0 0 "[ . 1 . 2]" 1
657 1 138 ARG H 1 138 ARG HB2 . . 3.330 2.862 2.712 3.052 . 0 0 "[ . 1 . 2]" 1
658 1 138 ARG H 1 138 ARG HB3 . . 3.330 2.239 2.188 2.346 . 0 0 "[ . 1 . 2]" 1
659 1 138 ARG H 1 138 ARG HG3 . . 4.550 4.446 4.410 4.489 . 0 0 "[ . 1 . 2]" 1
660 1 138 ARG H 1 138 ARG HG2 . . 4.450 4.206 4.065 4.358 . 0 0 "[ . 1 . 2]" 1
661 1 138 ARG H 1 139 LYS H . . 3.260 2.782 2.527 3.052 . 0 0 "[ . 1 . 2]" 1
662 1 138 ARG H 1 140 LYS H . . 4.500 3.890 3.499 4.227 . 0 0 "[ . 1 . 2]" 1
663 1 138 ARG HA 1 141 HIS H . . 3.960 3.537 3.282 3.664 . 0 0 "[ . 1 . 2]" 1
664 1 138 ARG HB2 1 139 LYS H . . 4.250 3.994 3.854 4.177 . 0 0 "[ . 1 . 2]" 1
665 1 138 ARG HB3 1 139 LYS H . . 4.250 2.683 2.488 2.957 . 0 0 "[ . 1 . 2]" 1
666 1 138 ARG HG3 1 139 LYS H . . 4.300 3.845 3.430 4.221 . 0 0 "[ . 1 . 2]" 1
667 1 139 LYS H 1 139 LYS HG3 . . 4.840 4.046 2.345 4.649 . 0 0 "[ . 1 . 2]" 1
668 1 138 ARG HG2 1 139 LYS H . . 4.050 3.044 2.616 3.596 . 0 0 "[ . 1 . 2]" 1
669 1 139 LYS H 1 139 LYS QB . . 2.900 2.244 2.140 2.393 . 0 0 "[ . 1 . 2]" 1
670 1 139 LYS H 1 140 LYS H . . 3.360 2.559 2.363 2.699 . 0 0 "[ . 1 . 2]" 1
671 1 139 LYS H 1 141 HIS H . . 4.270 4.071 3.922 4.219 . 0 0 "[ . 1 . 2]" 1
672 1 139 LYS H 1 141 HIS QB . . 5.440 5.046 4.806 5.259 . 0 0 "[ . 1 . 2]" 1
673 1 139 LYS H 1 142 MET HG3 . . 5.500 4.856 4.524 4.989 . 0 0 "[ . 1 . 2]" 1
674 1 139 LYS HA 1 141 HIS H . . 4.610 3.851 3.733 3.995 . 0 0 "[ . 1 . 2]" 1
675 1 140 LYS H 1 140 LYS HB2 . . 2.810 2.199 2.181 2.271 . 0 0 "[ . 1 . 2]" 1
676 1 140 LYS H 1 141 HIS H . . 3.100 2.421 2.322 2.621 . 0 0 "[ . 1 . 2]" 1
677 1 140 LYS HB2 1 141 HIS H . . 3.390 3.227 3.068 3.281 . 0 0 "[ . 1 . 2]" 1
678 1 141 HIS H 1 142 MET H . . 3.080 2.451 2.397 2.504 . 0 0 "[ . 1 . 2]" 1
679 1 141 HIS H 1 142 MET HG2 . . 4.260 3.195 3.122 3.625 . 0 0 "[ . 1 . 2]" 1
680 1 141 HIS H 1 141 HIS QB . . 2.830 2.217 2.197 2.235 . 0 0 "[ . 1 . 2]" 1
681 1 141 HIS HA 1 144 VAL H . . 4.340 4.112 4.072 4.142 . 0 0 "[ . 1 . 2]" 1
682 1 142 MET H 1 142 MET QB . . 2.950 2.648 2.615 2.753 . 0 0 "[ . 1 . 2]" 1
683 1 142 MET H 1 142 MET HG2 . . 3.350 2.026 1.976 2.383 . 0 0 "[ . 1 . 2]" 1
684 1 142 MET H 1 142 MET HG3 . . 3.310 3.226 2.339 3.302 . 0 0 "[ . 1 . 2]" 1
685 1 142 MET H 1 145 HIS HD2 . . 4.860 4.463 4.369 4.567 . 0 0 "[ . 1 . 2]" 1
686 1 142 MET HA 1 145 HIS H . . 3.580 2.860 2.807 2.914 . 0 0 "[ . 1 . 2]" 1
687 1 143 HIS QB 1 144 VAL H . . 3.710 3.344 3.007 3.662 . 0 0 "[ . 1 . 2]" 1
688 1 144 VAL H 1 144 VAL HB . . 3.330 3.287 3.275 3.299 . 0 0 "[ . 1 . 2]" 1
689 1 144 VAL H 1 144 VAL MG1 . . 3.220 1.804 1.791 1.825 . 0 0 "[ . 1 . 2]" 1
690 1 144 VAL H 1 145 HIS H . . 3.210 2.149 2.128 2.169 . 0 0 "[ . 1 . 2]" 1
691 1 144 VAL H 1 146 THR H . . 4.760 3.971 3.886 4.088 . 0 0 "[ . 1 . 2]" 1
692 1 144 VAL HA 1 146 THR H . . 4.480 3.948 3.354 4.372 . 0 0 "[ . 1 . 2]" 1
693 1 144 VAL MG1 1 145 HIS H . . 3.610 2.748 2.650 2.819 . 0 0 "[ . 1 . 2]" 1
694 1 145 HIS H 1 145 HIS HB2 . . 3.160 2.192 2.175 2.207 . 0 0 "[ . 1 . 2]" 1
695 1 145 HIS H 1 145 HIS HB3 . . 3.530 3.492 3.483 3.503 . 0 0 "[ . 1 . 2]" 1
696 1 145 HIS H 1 145 HIS HD2 . . 4.110 3.799 3.687 3.928 . 0 0 "[ . 1 . 2]" 1
697 1 145 HIS H 1 146 THR H . . 3.280 2.443 2.353 2.544 . 0 0 "[ . 1 . 2]" 1
698 1 145 HIS HB2 1 146 THR H . . 4.060 3.142 2.811 3.652 . 0 0 "[ . 1 . 2]" 1
699 1 145 HIS HB3 1 146 THR H . . 4.320 3.618 3.307 4.054 . 0 0 "[ . 1 . 2]" 1
700 1 146 THR H 1 146 THR MG . . 3.720 3.028 1.880 3.720 . 0 0 "[ . 1 . 2]" 1
701 1 146 THR H 1 147 SER H . . 4.780 3.278 2.053 4.643 . 0 0 "[ . 1 . 2]" 1
702 1 95 PHE H 1 95 PHE QD . . 4.400 4.218 4.100 4.295 . 0 0 "[ . 1 . 2]" 1
703 1 123 CYS H 1 132 PHE QE . . 4.420 2.723 2.007 3.562 . 0 0 "[ . 1 . 2]" 1
704 1 121 PHE QD 1 122 LYS H . . 4.660 4.338 3.986 4.645 . 0 0 "[ . 1 . 2]" 1
705 1 59 VAL MG2 1 60 CYS H . . 4.440 4.119 3.980 4.246 . 0 0 "[ . 1 . 2]" 1
706 1 19 ILE HG13 1 20 ASP H . . 5.500 5.412 5.315 5.487 . 0 0 "[ . 1 . 2]" 1
707 1 20 ASP H 1 28 LYS HB3 . . 5.500 5.388 5.052 5.502 0.002 2 0 "[ . 1 . 2]" 1
708 1 95 PHE HB3 1 98 CYS H . . 4.110 3.561 2.949 3.692 . 0 0 "[ . 1 . 2]" 1
709 1 102 PHE H 1 102 PHE QE . . 4.560 4.308 4.091 4.562 0.002 18 0 "[ . 1 . 2]" 1
710 1 86 THR MG 1 88 GLU H . . 4.770 4.422 3.839 4.924 0.154 16 0 "[ . 1 . 2]" 1
711 1 136 SER QB 1 138 ARG H . . 4.960 4.735 4.545 4.958 . 0 0 "[ . 1 . 2]" 1
712 1 132 PHE QD 1 138 ARG H . . 4.280 3.998 3.739 4.228 . 0 0 "[ . 1 . 2]" 1
713 1 67 ARG H 1 68 GLU HA . . 4.820 4.608 4.351 4.849 0.029 10 0 "[ . 1 . 2]" 1
714 1 59 VAL MG1 1 70 LYS H . . 4.590 3.850 3.240 4.589 . 0 0 "[ . 1 . 2]" 1
715 1 37 THR MG 1 39 HIS H . . 4.860 4.743 4.354 4.855 . 0 0 "[ . 1 . 2]" 1
716 1 84 VAL MG1 1 85 HIS H . . 3.950 3.834 3.727 3.955 0.005 16 0 "[ . 1 . 2]" 1
717 1 113 ARG H 1 114 THR MG . . 4.210 4.064 3.579 4.218 0.008 8 0 "[ . 1 . 2]" 1
718 1 45 VAL MG2 1 46 THR H . . 4.170 3.885 3.806 4.064 . 0 0 "[ . 1 . 2]" 1
719 1 42 VAL MG1 1 46 THR H . . 4.260 4.028 3.860 4.214 . 0 0 "[ . 1 . 2]" 1
720 1 57 ASN HD21 1 59 VAL MG2 . . 4.420 2.759 1.907 3.901 . 0 0 "[ . 1 . 2]" 1
721 1 34 THR H 1 35 PHE QE . . 4.350 4.228 3.937 4.349 . 0 0 "[ . 1 . 2]" 1
722 1 121 PHE QD 1 134 ASN H . . 4.380 3.855 3.242 4.375 . 0 0 "[ . 1 . 2]" 1
723 1 132 PHE QD 1 134 ASN H . . 5.000 4.694 4.465 4.988 . 0 0 "[ . 1 . 2]" 1
724 1 18 TRP HE1 1 49 HIS HB3 . . 5.500 5.362 5.027 5.502 0.002 6 0 "[ . 1 . 2]" 1
725 1 18 TRP HE1 1 61 TYR QD . . 4.050 2.402 1.916 2.781 . 0 0 "[ . 1 . 2]" 1
726 1 19 ILE HG12 1 30 SER H . . 4.850 4.364 3.401 4.733 . 0 0 "[ . 1 . 2]" 1
727 1 35 PHE H 1 35 PHE QD . . 4.570 2.897 2.271 3.638 . 0 0 "[ . 1 . 2]" 1
728 1 35 PHE QD 1 36 SER H . . 5.090 4.097 3.819 4.453 . 0 0 "[ . 1 . 2]" 1
729 1 35 PHE QD 1 37 THR H . . 5.110 4.812 4.527 5.091 . 0 0 "[ . 1 . 2]" 1
730 1 35 PHE HB2 1 40 GLU H . . 5.500 5.141 4.536 5.499 . 0 0 "[ . 1 . 2]" 1
731 1 38 MET HG3 1 40 GLU H . . 5.500 5.373 4.753 5.501 0.001 6 0 "[ . 1 . 2]" 1
732 1 35 PHE QD 1 41 LEU H . . 4.540 3.945 3.601 4.207 . 0 0 "[ . 1 . 2]" 1
733 1 49 HIS H 1 50 VAL HA . . 4.780 4.801 4.792 4.811 0.031 6 0 "[ . 1 . 2]" 1
734 1 63 GLU H 1 64 GLU H . . 4.880 2.845 2.791 2.923 . 0 0 "[ . 1 . 2]" 1
735 1 59 VAL MG2 1 72 PHE H . . 4.570 4.258 3.418 4.575 0.005 1 0 "[ . 1 . 2]" 1
736 1 74 ALA H 1 77 LYS QG . . 4.730 3.048 1.995 4.237 . 0 0 "[ . 1 . 2]" 1
737 1 74 ALA H 1 78 LEU H . . 4.660 4.548 4.250 4.659 . 0 0 "[ . 1 . 2]" 1
738 1 72 PHE QD 1 74 ALA H . . 4.820 4.367 3.787 4.821 0.001 20 0 "[ . 1 . 2]" 1
739 1 78 LEU MD1 1 80 ASN H . . 5.500 5.107 4.672 5.403 . 0 0 "[ . 1 . 2]" 1
740 1 76 TYR HB2 1 80 ASN H . . 4.970 4.850 4.562 4.968 . 0 0 "[ . 1 . 2]" 1
741 1 84 VAL H 1 86 THR MG . . 5.080 4.689 4.270 5.100 0.020 10 0 "[ . 1 . 2]" 1
742 1 82 ILE MG 1 84 VAL H . . 5.000 4.715 4.436 4.969 . 0 0 "[ . 1 . 2]" 1
743 1 87 GLY H 1 88 GLU QB . . 4.770 4.234 3.576 4.691 . 0 0 "[ . 1 . 2]" 1
744 1 93 CYS H 1 100 LYS QG . . 5.500 4.949 4.548 5.161 . 0 0 "[ . 1 . 2]" 1
745 1 93 CYS H 1 99 GLY H . . 5.450 5.248 4.781 5.451 0.001 1 0 "[ . 1 . 2]" 1
746 1 104 ARG QD 1 107 ASN H . . 4.580 4.069 2.714 4.573 . 0 0 "[ . 1 . 2]" 1
747 1 102 PHE QD 1 107 ASN H . . 5.500 5.432 5.268 5.503 0.003 9 0 "[ . 1 . 2]" 1
748 1 91 PHE QE 1 108 LEU H . . 5.230 4.534 3.783 5.238 0.008 10 0 "[ . 1 . 2]" 1
749 1 102 PHE QD 1 108 LEU H . . 5.480 4.308 4.008 4.585 . 0 0 "[ . 1 . 2]" 1
750 1 109 LYS H 1 109 LYS QB . . 3.010 2.362 2.140 2.745 . 0 0 "[ . 1 . 2]" 1
751 1 108 LEU HA 1 110 ILE H . . 4.650 4.459 3.910 4.651 0.001 4 0 "[ . 1 . 2]" 1
752 1 112 LYS H 1 114 THR H . . 4.710 3.963 3.753 4.136 . 0 0 "[ . 1 . 2]" 1
753 1 114 THR H 1 115 HIS HD2 . . 5.500 5.358 4.960 5.538 0.038 20 0 "[ . 1 . 2]" 1
754 1 113 ARG HB2 1 115 HIS H . . 5.500 5.260 4.894 5.496 . 0 0 "[ . 1 . 2]" 1
755 1 111 HIS HA 1 115 HIS H . . 5.500 4.793 3.303 5.503 0.003 9 0 "[ . 1 . 2]" 1
756 1 115 HIS H 1 116 THR HA . . 5.500 4.982 4.405 5.490 . 0 0 "[ . 1 . 2]" 1
757 1 115 HIS H 1 116 THR HB . . 5.500 4.916 4.063 5.578 0.078 9 0 "[ . 1 . 2]" 1
758 1 123 CYS H 1 132 PHE H . . 5.100 4.740 4.413 5.015 . 0 0 "[ . 1 . 2]" 1
759 1 125 PHE H 1 145 HIS HD2 . . 5.140 5.082 4.777 5.141 0.001 15 0 "[ . 1 . 2]" 1
760 1 125 PHE H 1 142 MET ME . . 4.400 3.141 2.604 3.402 . 0 0 "[ . 1 . 2]" 1
761 1 131 ARG H 1 131 ARG QD . . 4.610 4.014 2.638 4.579 . 0 0 "[ . 1 . 2]" 1
762 1 133 ALA MB 1 134 ASN HD21 . . 4.400 2.418 2.066 2.797 . 0 0 "[ . 1 . 2]" 1
763 1 135 SER HA 1 137 ASP H . . 4.930 4.500 4.079 4.821 . 0 0 "[ . 1 . 2]" 1
764 1 132 PHE HB3 1 137 ASP H . . 4.960 4.496 4.268 4.719 . 0 0 "[ . 1 . 2]" 1
765 1 137 ASP H 1 140 LYS QD . . 4.780 3.951 3.320 4.320 . 0 0 "[ . 1 . 2]" 1
766 1 137 ASP H 1 140 LYS HB2 . . 4.940 4.743 4.501 4.924 . 0 0 "[ . 1 . 2]" 1
767 1 140 LYS H 1 141 HIS QB . . 4.750 4.161 4.079 4.353 . 0 0 "[ . 1 . 2]" 1
768 1 140 LYS H 1 142 MET HG3 . . 5.170 4.979 4.136 5.125 . 0 0 "[ . 1 . 2]" 1
769 1 138 ARG HG3 1 141 HIS H . . 5.490 4.779 4.495 5.145 . 0 0 "[ . 1 . 2]" 1
770 1 141 HIS H 1 142 MET ME . . 5.500 3.776 3.581 4.556 . 0 0 "[ . 1 . 2]" 1
771 1 142 MET H 1 145 HIS HB2 . . 5.140 5.059 5.011 5.127 . 0 0 "[ . 1 . 2]" 1
772 1 142 MET QB 1 144 VAL H . . 4.650 4.442 4.403 4.496 . 0 0 "[ . 1 . 2]" 1
773 1 144 VAL H 1 145 HIS HB2 . . 4.780 4.024 4.001 4.056 . 0 0 "[ . 1 . 2]" 1
774 1 144 VAL MG1 1 146 THR H . . 4.970 4.704 4.574 4.847 . 0 0 "[ . 1 . 2]" 1
775 1 8 GLN HA 1 9 PRO QG . . 4.710 3.927 3.885 3.994 . 0 0 "[ . 1 . 2]" 1
776 1 8 GLN HA 1 9 PRO HD2 . . 3.020 2.277 2.202 2.388 . 0 0 "[ . 1 . 2]" 1
777 1 8 GLN HA 1 9 PRO HD3 . . 3.020 2.263 2.252 2.294 . 0 0 "[ . 1 . 2]" 1
778 1 9 PRO HB3 1 10 ILE H . . 4.290 3.425 3.144 4.123 . 0 0 "[ . 1 . 2]" 1
779 1 10 ILE HA 1 10 ILE MG . . 3.240 2.242 2.043 2.398 . 0 0 "[ . 1 . 2]" 1
780 1 10 ILE HA 1 10 ILE HG12 . . 4.020 2.710 2.415 3.008 . 0 0 "[ . 1 . 2]" 1
781 1 10 ILE HA 1 10 ILE HG13 . . 4.020 3.245 2.821 3.699 . 0 0 "[ . 1 . 2]" 1
782 1 10 ILE HA 1 10 ILE MD . . 4.170 3.858 3.532 3.954 . 0 0 "[ . 1 . 2]" 1
783 1 10 ILE HB 1 10 ILE MD . . 3.180 2.411 2.240 2.699 . 0 0 "[ . 1 . 2]" 1
784 1 10 ILE HG12 1 10 ILE MG . . 3.490 2.366 2.085 2.656 . 0 0 "[ . 1 . 2]" 1
785 1 10 ILE HG13 1 10 ILE MG . . 3.490 3.178 3.132 3.202 . 0 0 "[ . 1 . 2]" 1
786 1 110 ILE MG 1 113 ARG HB3 . . 5.500 5.278 5.032 5.506 0.006 8 0 "[ . 1 . 2]" 1
787 1 11 LYS H 1 11 LYS HB3 . . 4.020 3.237 2.433 3.745 . 0 0 "[ . 1 . 2]" 1
788 1 80 ASN HA 1 83 ARG HG2 . . 4.030 2.273 1.999 2.880 . 0 0 "[ . 1 . 2]" 1
789 1 11 LYS HA 1 12 GLN H . . 3.050 2.167 2.141 2.223 . 0 0 "[ . 1 . 2]" 1
790 1 12 GLN H 1 12 GLN HB2 . . 3.930 2.983 2.292 3.731 . 0 0 "[ . 1 . 2]" 1
791 1 12 GLN H 1 12 GLN HB3 . . 3.930 2.656 2.283 3.517 . 0 0 "[ . 1 . 2]" 1
792 1 12 GLN HA 1 12 GLN QG . . 3.300 2.772 2.273 3.324 0.024 20 0 "[ . 1 . 2]" 1
793 1 12 GLN QG 1 13 GLU H . . 4.050 2.965 2.169 4.049 . 0 0 "[ . 1 . 2]" 1
794 1 13 GLU H 1 13 GLU HB2 . . 3.820 3.100 2.235 3.696 . 0 0 "[ . 1 . 2]" 1
795 1 13 GLU H 1 13 GLU HG2 . . 4.500 3.351 2.068 4.535 0.035 12 0 "[ . 1 . 2]" 1
796 1 13 GLU HA 1 13 GLU HG2 . . 3.860 3.401 2.547 3.916 0.056 12 0 "[ . 1 . 2]" 1
797 1 13 GLU HA 1 13 GLU HG3 . . 3.860 3.207 2.205 3.859 . 0 0 "[ . 1 . 2]" 1
798 1 13 GLU HA 1 14 LEU H . . 3.110 2.174 2.139 2.260 . 0 0 "[ . 1 . 2]" 1
799 1 13 GLU HA 1 14 LEU HG . . 4.040 3.462 3.160 3.780 . 0 0 "[ . 1 . 2]" 1
800 1 13 GLU HA 1 34 THR HB . . 4.910 4.691 4.087 4.913 0.003 2 0 "[ . 1 . 2]" 1
801 1 13 GLU HB2 1 14 LEU H . . 4.380 3.697 2.970 4.370 . 0 0 "[ . 1 . 2]" 1
802 1 13 GLU HB3 1 14 LEU H . . 4.380 3.961 3.214 4.387 0.007 12 0 "[ . 1 . 2]" 1
803 1 13 GLU HG2 1 14 LEU H . . 4.800 4.318 3.874 4.800 . 0 0 "[ . 1 . 2]" 1
804 1 13 GLU HG3 1 14 LEU H . . 4.800 3.941 2.551 4.761 . 0 0 "[ . 1 . 2]" 1
805 1 14 LEU H 1 14 LEU MD2 . . 3.980 3.429 3.148 3.835 . 0 0 "[ . 1 . 2]" 1
806 1 14 LEU H 1 34 THR HB . . 4.700 4.143 3.374 4.530 . 0 0 "[ . 1 . 2]" 1
807 1 14 LEU HA 1 14 LEU MD1 . . 4.040 3.970 3.857 4.032 . 0 0 "[ . 1 . 2]" 1
808 1 14 LEU HB2 1 14 LEU MD1 . . 3.070 2.246 2.098 2.432 . 0 0 "[ . 1 . 2]" 1
809 1 14 LEU HB3 1 14 LEU MD1 . . 2.830 2.474 2.264 2.636 . 0 0 "[ . 1 . 2]" 1
810 1 14 LEU HB2 1 14 LEU MD2 . . 3.370 3.166 3.134 3.189 . 0 0 "[ . 1 . 2]" 1
811 1 14 LEU HB3 1 14 LEU MD2 . . 2.880 2.209 2.080 2.448 . 0 0 "[ . 1 . 2]" 1
812 1 14 LEU HB2 1 35 PHE H . . 5.100 3.311 2.359 3.954 . 0 0 "[ . 1 . 2]" 1
813 1 14 LEU HB2 1 35 PHE HB2 . . 4.880 2.929 2.389 3.338 . 0 0 "[ . 1 . 2]" 1
814 1 14 LEU HB3 1 35 PHE HB2 . . 4.940 4.475 3.982 4.859 . 0 0 "[ . 1 . 2]" 1
815 1 14 LEU HB3 1 41 LEU HB3 . . 5.040 4.343 3.979 4.754 . 0 0 "[ . 1 . 2]" 1
816 1 14 LEU HB2 1 41 LEU MD2 . . 3.840 2.902 2.328 3.564 . 0 0 "[ . 1 . 2]" 1
817 1 14 LEU MD1 1 35 PHE HB3 . . 4.570 3.364 2.967 3.632 . 0 0 "[ . 1 . 2]" 1
818 1 14 LEU MD1 1 35 PHE HB2 . . 3.910 2.118 1.966 2.369 . 0 0 "[ . 1 . 2]" 1
819 1 14 LEU MD1 1 37 THR HA . . 3.570 3.466 3.257 3.569 . 0 0 "[ . 1 . 2]" 1
820 1 14 LEU MD1 1 38 MET H . . 4.200 3.267 3.003 3.516 . 0 0 "[ . 1 . 2]" 1
821 1 14 LEU MD1 1 38 MET HA . . 3.340 1.929 1.794 2.110 . 0 0 "[ . 1 . 2]" 1
822 1 14 LEU MD1 1 38 MET ME . . 3.350 2.164 1.829 2.758 . 0 0 "[ . 1 . 2]" 1
823 1 14 LEU MD1 1 41 LEU H . . 3.970 2.907 2.515 3.394 . 0 0 "[ . 1 . 2]" 1
824 1 14 LEU MD1 1 41 LEU HB2 . . 3.940 2.019 1.796 2.334 . 0 0 "[ . 1 . 2]" 1
825 1 14 LEU MD1 1 41 LEU HB3 . . 3.940 2.280 2.027 2.525 . 0 0 "[ . 1 . 2]" 1
826 1 14 LEU MD1 1 41 LEU MD2 . . 3.370 2.142 1.966 2.369 . 0 0 "[ . 1 . 2]" 1
827 1 14 LEU MD2 1 15 SER H . . 3.900 3.764 3.434 3.904 0.004 12 0 "[ . 1 . 2]" 1
828 1 14 LEU MD2 1 38 MET HA . . 3.590 3.328 3.021 3.586 . 0 0 "[ . 1 . 2]" 1
829 1 15 SER H 1 15 SER QB . . 3.840 2.881 2.491 3.262 . 0 0 "[ . 1 . 2]" 1
830 1 15 SER H 1 41 LEU MD2 . . 4.770 3.437 2.914 4.159 . 0 0 "[ . 1 . 2]" 1
831 1 16 CYS HA 1 41 LEU MD1 . . 3.600 3.271 2.984 3.467 . 0 0 "[ . 1 . 2]" 1
832 1 16 CYS HA 1 62 TRP HZ2 . . 4.380 2.873 2.050 3.361 . 0 0 "[ . 1 . 2]" 1
833 1 16 CYS HA 1 62 TRP HH2 . . 3.700 2.670 2.272 3.093 . 0 0 "[ . 1 . 2]" 1
834 1 16 CYS HB2 1 41 LEU MD1 . . 3.330 2.058 1.861 3.335 0.005 1 0 "[ . 1 . 2]" 1
835 1 16 CYS HB3 1 41 LEU MD1 . . 3.330 2.881 1.946 3.173 . 0 0 "[ . 1 . 2]" 1
836 1 17 LYS HA 1 17 LYS HD2 . . 4.130 2.460 1.991 4.134 0.004 18 0 "[ . 1 . 2]" 1
837 1 17 LYS HA 1 17 LYS HD3 . . 4.130 3.349 2.009 3.851 . 0 0 "[ . 1 . 2]" 1
838 1 17 LYS HA 1 17 LYS HE2 . . 4.690 3.558 2.008 4.688 . 0 0 "[ . 1 . 2]" 1
839 1 17 LYS HA 1 17 LYS HE3 . . 4.690 3.756 3.173 4.506 . 0 0 "[ . 1 . 2]" 1
840 1 17 LYS HA 1 30 SER HB2 . . 3.990 2.587 2.003 3.992 0.002 13 0 "[ . 1 . 2]" 1
841 1 17 LYS HA 1 30 SER HB3 . . 3.990 3.502 2.500 3.992 0.002 13 0 "[ . 1 . 2]" 1
842 1 17 LYS HB2 1 18 TRP HA . . 5.170 4.690 4.606 4.844 . 0 0 "[ . 1 . 2]" 1
843 1 17 LYS HB2 1 62 TRP HD1 . . 4.810 4.157 3.878 4.390 . 0 0 "[ . 1 . 2]" 1
844 1 17 LYS HB2 1 62 TRP HZ2 . . 4.740 4.141 3.848 4.450 . 0 0 "[ . 1 . 2]" 1
845 1 17 LYS HB2 1 63 GLU HB2 . . 4.300 3.484 3.108 3.964 . 0 0 "[ . 1 . 2]" 1
846 1 17 LYS HB3 1 63 GLU HB2 . . 5.210 3.054 2.579 3.599 . 0 0 "[ . 1 . 2]" 1
847 1 17 LYS HB2 1 63 GLU HB3 . . 4.300 3.173 2.481 3.681 . 0 0 "[ . 1 . 2]" 1
848 1 17 LYS HB3 1 63 GLU HB3 . . 5.210 3.489 2.751 4.385 . 0 0 "[ . 1 . 2]" 1
849 1 19 ILE HG13 1 63 GLU HG2 . . 4.670 4.419 3.738 4.675 0.005 14 0 "[ . 1 . 2]" 1
850 1 19 ILE HG13 1 63 GLU HG3 . . 4.670 3.781 3.400 4.695 0.025 9 0 "[ . 1 . 2]" 1
851 1 15 SER QB 1 17 LYS HD3 . . 4.520 2.995 2.258 4.515 . 0 0 "[ . 1 . 2]" 1
852 1 18 TRP H 1 30 SER HA . . 3.880 3.540 3.295 3.801 . 0 0 "[ . 1 . 2]" 1
853 1 18 TRP H 1 31 CYS HB2 . . 4.370 3.687 3.047 4.379 0.009 20 0 "[ . 1 . 2]" 1
854 1 18 TRP H 1 31 CYS HB3 . . 4.370 2.218 1.903 2.769 . 0 0 "[ . 1 . 2]" 1
855 1 18 TRP HA 1 18 TRP HE3 . . 4.430 3.679 3.477 3.973 . 0 0 "[ . 1 . 2]" 1
856 1 18 TRP HA 1 19 ILE HB . . 4.770 4.679 4.565 4.772 0.002 11 0 "[ . 1 . 2]" 1
857 1 18 TRP HA 1 19 ILE HG13 . . 5.500 4.017 3.733 4.268 . 0 0 "[ . 1 . 2]" 1
858 1 18 TRP HA 1 62 TRP HE3 . . 4.540 4.145 3.805 4.363 . 0 0 "[ . 1 . 2]" 1
859 1 18 TRP HB2 1 18 TRP HE3 . . 4.190 2.453 2.401 2.500 . 0 0 "[ . 1 . 2]" 1
860 1 18 TRP HB2 1 31 CYS HB2 . . 4.850 3.689 2.933 4.712 . 0 0 "[ . 1 . 2]" 1
861 1 18 TRP HB3 1 31 CYS HB2 . . 4.990 2.653 2.000 3.547 . 0 0 "[ . 1 . 2]" 1
862 1 18 TRP HB2 1 31 CYS HB3 . . 4.850 2.810 2.456 3.347 . 0 0 "[ . 1 . 2]" 1
863 1 18 TRP HB3 1 31 CYS HB3 . . 4.990 2.252 1.990 2.835 . 0 0 "[ . 1 . 2]" 1
864 1 18 TRP HB3 1 49 HIS HE1 . . 5.090 2.385 2.041 2.693 . 0 0 "[ . 1 . 2]" 1
865 1 18 TRP HB2 1 62 TRP HZ3 . . 4.970 4.617 3.786 4.962 . 0 0 "[ . 1 . 2]" 1
866 1 18 TRP HD1 1 19 ILE H . . 4.850 3.523 3.127 3.884 . 0 0 "[ . 1 . 2]" 1
867 1 18 TRP HD1 1 20 ASP HA . . 3.950 3.881 3.725 3.956 0.006 14 0 "[ . 1 . 2]" 1
868 1 18 TRP HD1 1 20 ASP QB . . 4.030 3.185 2.803 3.789 . 0 0 "[ . 1 . 2]" 1
869 1 18 TRP HD1 1 49 HIS HE1 . . 4.840 3.628 3.035 4.012 . 0 0 "[ . 1 . 2]" 1
870 1 18 TRP HE3 1 45 VAL MG1 . . 3.750 2.460 2.094 3.090 . 0 0 "[ . 1 . 2]" 1
871 1 18 TRP HE3 1 45 VAL MG2 . . 4.020 3.840 3.621 4.019 . 0 0 "[ . 1 . 2]" 1
872 1 18 TRP HZ3 1 49 HIS HB3 . . 5.250 2.739 2.534 3.114 . 0 0 "[ . 1 . 2]" 1
873 1 18 TRP HZ3 1 50 VAL MG2 . . 3.770 2.935 2.530 3.303 . 0 0 "[ . 1 . 2]" 1
874 1 18 TRP HZ3 1 60 CYS HA . . 4.350 3.924 3.797 4.112 . 0 0 "[ . 1 . 2]" 1
875 1 18 TRP HH2 1 60 CYS HA . . 3.750 2.208 2.088 2.450 . 0 0 "[ . 1 . 2]" 1
876 1 18 TRP HZ3 1 82 ILE MG . . 3.930 3.496 3.206 3.758 . 0 0 "[ . 1 . 2]" 1
877 1 18 TRP HE3 1 82 ILE MG . . 4.820 4.670 4.353 4.824 0.004 5 0 "[ . 1 . 2]" 1
878 1 18 TRP HZ3 1 45 VAL MG2 . . 4.410 4.258 4.104 4.403 . 0 0 "[ . 1 . 2]" 1
879 1 18 TRP HZ3 1 82 ILE HG12 . . 4.700 4.635 4.409 4.708 0.008 12 0 "[ . 1 . 2]" 1
880 1 81 HIS H 1 82 ILE HG13 . . 4.230 3.937 3.773 4.073 . 0 0 "[ . 1 . 2]" 1
881 1 18 TRP HZ3 1 82 ILE MD . . 3.400 2.886 2.658 3.142 . 0 0 "[ . 1 . 2]" 1
882 1 18 TRP HH2 1 82 ILE MD . . 3.870 3.507 3.374 3.614 . 0 0 "[ . 1 . 2]" 1
883 1 18 TRP HZ2 1 49 HIS HB3 . . 4.520 3.929 3.664 4.143 . 0 0 "[ . 1 . 2]" 1
884 1 18 TRP HZ2 1 60 CYS HA . . 4.590 2.354 2.196 2.503 . 0 0 "[ . 1 . 2]" 1
885 1 18 TRP HH2 1 49 HIS HB3 . . 4.370 2.953 2.713 3.128 . 0 0 "[ . 1 . 2]" 1
886 1 18 TRP HH2 1 50 VAL MG2 . . 4.620 2.067 1.864 2.374 . 0 0 "[ . 1 . 2]" 1
887 1 18 TRP HZ2 1 50 VAL MG2 . . 4.570 3.754 3.544 3.998 . 0 0 "[ . 1 . 2]" 1
888 1 19 ILE H 1 19 ILE HG12 . . 4.870 3.506 3.301 3.773 . 0 0 "[ . 1 . 2]" 1
889 1 19 ILE HA 1 19 ILE MG . . 3.490 2.397 2.326 2.470 . 0 0 "[ . 1 . 2]" 1
890 1 19 ILE HA 1 19 ILE HG13 . . 4.150 3.385 3.218 3.481 . 0 0 "[ . 1 . 2]" 1
891 1 19 ILE HA 1 19 ILE MD . . 3.940 3.601 3.524 3.734 . 0 0 "[ . 1 . 2]" 1
892 1 19 ILE HA 1 23 GLN HE21 . . 5.020 3.828 3.049 4.374 . 0 0 "[ . 1 . 2]" 1
893 1 19 ILE HA 1 23 GLN HE22 . . 5.020 3.355 2.612 3.945 . 0 0 "[ . 1 . 2]" 1
894 1 19 ILE HB 1 19 ILE MD . . 3.280 2.636 2.548 2.699 . 0 0 "[ . 1 . 2]" 1
895 1 19 ILE HB 1 61 TYR HB2 . . 4.690 4.550 4.381 4.699 0.009 14 0 "[ . 1 . 2]" 1
896 1 19 ILE HB 1 61 TYR HB3 . . 4.970 4.322 3.991 4.775 . 0 0 "[ . 1 . 2]" 1
897 1 19 ILE MG 1 28 LYS HB3 . . 3.070 2.220 1.785 2.469 . 0 0 "[ . 1 . 2]" 1
898 1 19 ILE MD 1 19 ILE MG . . 2.770 1.847 1.816 1.892 . 0 0 "[ . 1 . 2]" 1
899 1 19 ILE MG 1 23 GLN HE21 . . 3.800 2.492 2.003 3.385 . 0 0 "[ . 1 . 2]" 1
900 1 19 ILE MG 1 23 GLN HE22 . . 3.800 2.082 1.686 2.654 . 0 0 "[ . 1 . 2]" 1
901 1 19 ILE MG 1 28 LYS HB2 . . 4.260 3.211 2.789 3.463 . 0 0 "[ . 1 . 2]" 1
902 1 19 ILE HG13 1 30 SER HA . . 4.360 3.832 3.170 4.197 . 0 0 "[ . 1 . 2]" 1
903 1 19 ILE HG12 1 30 SER HA . . 4.020 2.441 2.077 2.623 . 0 0 "[ . 1 . 2]" 1
904 1 19 ILE HG12 1 30 SER HB2 . . 4.200 3.835 2.362 4.197 . 0 0 "[ . 1 . 2]" 1
905 1 19 ILE HG12 1 30 SER HB3 . . 4.200 2.817 2.074 4.047 . 0 0 "[ . 1 . 2]" 1
906 1 19 ILE HG13 1 63 GLU HA . . 4.300 2.258 1.999 2.672 . 0 0 "[ . 1 . 2]" 1
907 1 19 ILE HG12 1 63 GLU HA . . 4.900 3.747 3.550 4.112 . 0 0 "[ . 1 . 2]" 1
908 1 19 ILE MD 1 63 GLU H . . 4.180 3.863 3.681 4.052 . 0 0 "[ . 1 . 2]" 1
909 1 19 ILE MD 1 63 GLU HA . . 3.250 2.045 1.960 2.231 . 0 0 "[ . 1 . 2]" 1
910 1 19 ILE MD 1 63 GLU HB3 . . 4.390 3.466 3.324 3.702 . 0 0 "[ . 1 . 2]" 1
911 1 19 ILE MD 1 63 GLU HB2 . . 4.390 2.127 1.897 2.413 . 0 0 "[ . 1 . 2]" 1
912 1 20 ASP HA 1 21 GLU H . . 3.370 2.167 2.141 2.200 . 0 0 "[ . 1 . 2]" 1
913 1 20 ASP HA 1 21 GLU HA . . 4.610 4.368 4.323 4.451 . 0 0 "[ . 1 . 2]" 1
914 1 20 ASP QB 1 21 GLU H . . 4.150 3.637 3.045 3.931 . 0 0 "[ . 1 . 2]" 1
915 1 20 ASP QB 1 23 GLN HB2 . . 4.740 3.776 3.168 4.702 . 0 0 "[ . 1 . 2]" 1
916 1 20 ASP QB 1 23 GLN HB3 . . 4.150 2.455 1.943 3.423 . 0 0 "[ . 1 . 2]" 1
917 1 20 ASP QB 1 23 GLN HE21 . . 4.660 3.913 3.288 4.327 . 0 0 "[ . 1 . 2]" 1
918 1 20 ASP QB 1 23 GLN HE22 . . 4.660 4.534 4.248 4.658 . 0 0 "[ . 1 . 2]" 1
919 1 21 GLU H 1 21 GLU HB2 . . 3.800 2.879 2.521 3.623 . 0 0 "[ . 1 . 2]" 1
920 1 21 GLU H 1 21 GLU HB3 . . 3.800 3.434 2.593 3.615 . 0 0 "[ . 1 . 2]" 1
921 1 21 GLU HA 1 21 GLU HG2 . . 3.990 2.972 2.476 3.918 . 0 0 "[ . 1 . 2]" 1
922 1 21 GLU HA 1 21 GLU HG3 . . 3.990 3.728 3.506 3.898 . 0 0 "[ . 1 . 2]" 1
923 1 21 GLU HA 1 28 LYS QE . . 4.210 2.934 2.144 3.891 . 0 0 "[ . 1 . 2]" 1
924 1 21 GLU HB2 1 22 ALA H . . 4.060 2.937 1.905 3.676 . 0 0 "[ . 1 . 2]" 1
925 1 21 GLU HG2 1 22 ALA H . . 4.800 4.133 3.113 4.642 . 0 0 "[ . 1 . 2]" 1
926 1 21 GLU HG2 1 61 TYR QE . . 4.560 3.941 2.441 4.556 . 0 0 "[ . 1 . 2]" 1
927 1 21 GLU HG3 1 61 TYR QE . . 4.560 3.222 2.655 3.938 . 0 0 "[ . 1 . 2]" 1
928 1 21 GLU HG3 1 61 TYR QD . . 4.970 2.819 2.123 4.191 . 0 0 "[ . 1 . 2]" 1
929 1 21 GLU HG2 1 61 TYR QD . . 4.970 2.760 2.031 3.200 . 0 0 "[ . 1 . 2]" 1
930 1 22 ALA H 1 22 ALA MB . . 2.950 2.276 2.067 2.402 . 0 0 "[ . 1 . 2]" 1
931 1 22 ALA H 1 23 GLN HA . . 4.990 4.727 4.461 4.990 . 0 0 "[ . 1 . 2]" 1
932 1 23 GLN HG2 1 28 LYS HA . . 4.960 4.050 3.446 4.680 . 0 0 "[ . 1 . 2]" 1
933 1 23 GLN HG3 1 28 LYS HA . . 3.800 3.318 2.247 3.785 . 0 0 "[ . 1 . 2]" 1
934 1 23 GLN HG2 1 28 LYS HB3 . . 5.390 4.428 4.119 5.108 . 0 0 "[ . 1 . 2]" 1
935 1 23 GLN HG3 1 28 LYS HB3 . . 5.500 4.540 3.111 5.263 . 0 0 "[ . 1 . 2]" 1
936 1 23 GLN HG3 1 28 LYS HD3 . . 5.500 3.892 2.620 5.494 . 0 0 "[ . 1 . 2]" 1
937 1 23 GLN HG3 1 28 LYS HD2 . . 5.500 4.459 2.314 5.510 0.010 4 0 "[ . 1 . 2]" 1
938 1 24 LEU H 1 24 LEU HG . . 5.110 4.294 2.978 4.919 . 0 0 "[ . 1 . 2]" 1
939 1 24 LEU HA 1 24 LEU HG . . 3.880 2.886 2.288 3.707 . 0 0 "[ . 1 . 2]" 1
940 1 24 LEU HA 1 24 LEU MD1 . . 3.890 2.718 1.877 3.846 . 0 0 "[ . 1 . 2]" 1
941 1 24 LEU HA 1 24 LEU MD2 . . 3.890 3.180 1.912 3.879 . 0 0 "[ . 1 . 2]" 1
942 1 50 VAL MG2 1 78 LEU HG . . 3.650 2.637 2.080 3.082 . 0 0 "[ . 1 . 2]" 1
943 1 25 SER HB2 1 26 ARG H . . 3.910 3.629 2.312 3.917 0.007 1 0 "[ . 1 . 2]" 1
944 1 25 SER HB3 1 26 ARG H . . 3.910 3.486 2.620 3.915 0.005 17 0 "[ . 1 . 2]" 1
945 1 26 ARG HA 1 26 ARG HG2 . . 4.170 3.095 2.168 3.881 . 0 0 "[ . 1 . 2]" 1
946 1 26 ARG HA 1 26 ARG HG3 . . 4.170 3.197 2.553 3.682 . 0 0 "[ . 1 . 2]" 1
947 1 26 ARG HA 1 26 ARG HD2 . . 4.060 2.838 1.997 3.936 . 0 0 "[ . 1 . 2]" 1
948 1 26 ARG HA 1 26 ARG HD3 . . 4.060 3.330 1.990 4.077 0.017 11 0 "[ . 1 . 2]" 1
949 1 26 ARG HA 1 27 PRO HA . . 3.490 2.198 2.074 2.436 . 0 0 "[ . 1 . 2]" 1
950 1 26 ARG HA 1 27 PRO HB2 . . 4.700 4.309 4.259 4.429 . 0 0 "[ . 1 . 2]" 1
951 1 26 ARG HA 1 27 PRO HB3 . . 4.700 4.343 4.246 4.532 . 0 0 "[ . 1 . 2]" 1
952 1 26 ARG HA 1 28 LYS HA . . 5.020 3.487 3.201 3.792 . 0 0 "[ . 1 . 2]" 1
953 1 26 ARG HB2 1 27 PRO HA . . 4.620 3.747 3.374 4.186 . 0 0 "[ . 1 . 2]" 1
954 1 26 ARG HB3 1 27 PRO HA . . 4.620 3.250 1.990 4.009 . 0 0 "[ . 1 . 2]" 1
955 1 26 ARG HG3 1 27 PRO HA . . 4.510 3.014 1.992 4.381 . 0 0 "[ . 1 . 2]" 1
956 1 26 ARG HG2 1 27 PRO HA . . 4.510 3.390 1.996 3.846 . 0 0 "[ . 1 . 2]" 1
957 1 26 ARG HD2 1 27 PRO HA . . 4.430 2.237 1.998 3.912 . 0 0 "[ . 1 . 2]" 1
958 1 26 ARG HD3 1 27 PRO HA . . 4.430 3.077 2.055 4.420 . 0 0 "[ . 1 . 2]" 1
959 1 23 GLN HE21 1 28 LYS HB3 . . 4.520 2.926 2.171 3.995 . 0 0 "[ . 1 . 2]" 1
960 1 28 LYS HA 1 28 LYS QE . . 4.980 4.234 2.201 4.961 . 0 0 "[ . 1 . 2]" 1
961 1 109 LYS HA 1 109 LYS QE . . 5.500 4.233 3.370 5.397 . 0 0 "[ . 1 . 2]" 1
962 1 27 PRO HA 1 28 LYS HA . . 4.720 4.314 4.304 4.340 . 0 0 "[ . 1 . 2]" 1
963 1 28 LYS HA 1 29 LYS HA . . 4.610 4.399 4.386 4.480 . 0 0 "[ . 1 . 2]" 1
964 1 28 LYS HB3 1 28 LYS QE . . 4.710 3.419 1.895 4.232 . 0 0 "[ . 1 . 2]" 1
965 1 28 LYS HB2 1 28 LYS QE . . 4.830 3.941 2.315 4.633 . 0 0 "[ . 1 . 2]" 1
966 1 28 LYS HB2 1 29 LYS H . . 4.890 4.166 3.497 4.403 . 0 0 "[ . 1 . 2]" 1
967 1 29 LYS HA 1 29 LYS QG . . 3.670 2.980 2.311 3.488 . 0 0 "[ . 1 . 2]" 1
968 1 29 LYS HB2 1 29 LYS QE . . 4.870 3.225 1.965 4.577 . 0 0 "[ . 1 . 2]" 1
969 1 29 LYS HB3 1 29 LYS QE . . 4.870 3.039 1.995 4.180 . 0 0 "[ . 1 . 2]" 1
970 1 30 SER HB2 1 31 CYS H . . 4.160 3.066 2.435 3.806 . 0 0 "[ . 1 . 2]" 1
971 1 31 CYS HB2 1 49 HIS HE1 . . 5.020 2.627 2.139 2.969 . 0 0 "[ . 1 . 2]" 1
972 1 31 CYS HB3 1 49 HIS HE1 . . 5.020 3.261 2.387 3.907 . 0 0 "[ . 1 . 2]" 1
973 1 33 ARG HA 1 33 ARG QG . . 3.700 2.510 2.099 3.029 . 0 0 "[ . 1 . 2]" 1
974 1 33 ARG HB2 1 35 PHE HZ . . 4.800 4.397 3.620 4.798 . 0 0 "[ . 1 . 2]" 1
975 1 33 ARG HB3 1 35 PHE HZ . . 4.800 3.428 2.647 4.466 . 0 0 "[ . 1 . 2]" 1
976 1 33 ARG HB2 1 35 PHE QE . . 5.080 4.503 3.566 5.058 . 0 0 "[ . 1 . 2]" 1
977 1 33 ARG HB3 1 35 PHE QE . . 5.080 3.202 2.513 3.888 . 0 0 "[ . 1 . 2]" 1
978 1 33 ARG HD2 1 35 PHE HZ . . 4.970 4.382 2.396 4.964 . 0 0 "[ . 1 . 2]" 1
979 1 33 ARG HD3 1 35 PHE HZ . . 4.970 3.565 2.326 4.819 . 0 0 "[ . 1 . 2]" 1
980 1 34 THR H 1 34 THR MG . . 3.570 3.265 2.147 3.566 . 0 0 "[ . 1 . 2]" 1
981 1 34 THR HA 1 34 THR MG . . 3.220 2.265 2.034 3.178 . 0 0 "[ . 1 . 2]" 1
982 1 34 THR HB 1 35 PHE H . . 3.660 2.571 2.217 3.640 . 0 0 "[ . 1 . 2]" 1
983 1 34 THR MG 1 35 PHE H . . 3.810 3.420 3.134 3.741 . 0 0 "[ . 1 . 2]" 1
984 1 35 PHE HA 1 35 PHE QD . . 4.070 3.025 2.480 3.317 . 0 0 "[ . 1 . 2]" 1
985 1 35 PHE HB3 1 40 GLU QB . . 4.100 1.984 1.805 2.383 . 0 0 "[ . 1 . 2]" 1
986 1 35 PHE HB2 1 40 GLU QB . . 4.220 3.063 2.465 3.562 . 0 0 "[ . 1 . 2]" 1
987 1 35 PHE HB3 1 41 LEU HA . . 4.720 4.285 3.828 4.701 . 0 0 "[ . 1 . 2]" 1
988 1 35 PHE HB2 1 41 LEU HB2 . . 5.260 3.000 2.698 3.421 . 0 0 "[ . 1 . 2]" 1
989 1 35 PHE HB2 1 41 LEU HB3 . . 5.260 4.227 3.780 4.827 . 0 0 "[ . 1 . 2]" 1
990 1 35 PHE HZ 1 44 HIS HD2 . . 5.070 3.409 2.424 5.011 . 0 0 "[ . 1 . 2]" 1
991 1 35 PHE HZ 1 44 HIS HB2 . . 5.000 2.814 2.019 4.060 . 0 0 "[ . 1 . 2]" 1
992 1 35 PHE HZ 1 44 HIS HB3 . . 5.000 2.871 2.466 3.306 . 0 0 "[ . 1 . 2]" 1
993 1 35 PHE QE 1 41 LEU HA . . 5.050 2.922 2.531 3.517 . 0 0 "[ . 1 . 2]" 1
994 1 35 PHE QD 1 41 LEU HA . . 4.190 2.935 2.374 3.437 . 0 0 "[ . 1 . 2]" 1
995 1 37 THR HA 1 37 THR MG . . 2.740 2.474 2.000 2.636 . 0 0 "[ . 1 . 2]" 1
996 1 37 THR MG 1 38 MET H . . 4.170 3.874 3.146 4.094 . 0 0 "[ . 1 . 2]" 1
997 1 38 MET HA 1 38 MET HG3 . . 4.020 3.187 2.651 3.520 . 0 0 "[ . 1 . 2]" 1
998 1 38 MET HG3 1 39 HIS HA . . 4.600 3.624 2.920 4.424 . 0 0 "[ . 1 . 2]" 1
999 1 38 MET HA 1 38 MET HG2 . . 3.980 3.726 3.661 3.934 . 0 0 "[ . 1 . 2]" 1
1000 1 38 MET HA 1 38 MET ME . . 3.490 2.124 1.971 2.728 . 0 0 "[ . 1 . 2]" 1
1001 1 38 MET HA 1 41 LEU HB2 . . 4.100 3.908 3.640 4.097 . 0 0 "[ . 1 . 2]" 1
1002 1 38 MET HA 1 41 LEU HB3 . . 4.100 2.853 2.480 3.257 . 0 0 "[ . 1 . 2]" 1
1003 1 142 MET QB 1 145 HIS HB2 . . 4.200 3.046 2.981 3.125 . 0 0 "[ . 1 . 2]" 1
1004 1 38 MET ME 1 38 MET HG3 . . 3.440 3.193 2.020 3.398 . 0 0 "[ . 1 . 2]" 1
1005 1 38 MET ME 1 38 MET HG2 . . 3.150 2.716 2.543 3.161 0.011 18 0 "[ . 1 . 2]" 1
1006 1 38 MET HG3 1 39 HIS H . . 4.830 3.464 2.727 4.086 . 0 0 "[ . 1 . 2]" 1
1007 1 38 MET HG3 1 42 VAL MG2 . . 3.460 2.431 2.119 2.718 . 0 0 "[ . 1 . 2]" 1
1008 1 38 MET HG2 1 42 VAL MG2 . . 3.750 3.639 3.417 3.752 0.002 18 0 "[ . 1 . 2]" 1
1009 1 38 MET ME 1 41 LEU H . . 5.120 4.671 3.857 5.028 . 0 0 "[ . 1 . 2]" 1
1010 1 38 MET ME 1 41 LEU HG . . 5.180 4.370 3.228 4.994 . 0 0 "[ . 1 . 2]" 1
1011 1 78 LEU HG 1 82 ILE HG12 . . 5.490 4.009 3.712 4.516 . 0 0 "[ . 1 . 2]" 1
1012 1 38 MET ME 1 41 LEU MD2 . . 3.480 2.355 1.722 3.129 . 0 0 "[ . 1 . 2]" 1
1013 1 14 LEU MD2 1 38 MET ME . . 3.050 2.219 1.764 3.043 . 0 0 "[ . 1 . 2]" 1
1014 1 38 MET ME 1 86 THR HB . . 3.370 2.028 1.790 2.381 . 0 0 "[ . 1 . 2]" 1
1015 1 39 HIS HA 1 41 LEU H . . 4.960 4.366 3.998 4.765 . 0 0 "[ . 1 . 2]" 1
1016 1 39 HIS HA 1 42 VAL H . . 4.330 3.536 3.243 3.704 . 0 0 "[ . 1 . 2]" 1
1017 1 39 HIS HA 1 42 VAL HB . . 3.410 2.750 2.517 2.953 . 0 0 "[ . 1 . 2]" 1
1018 1 39 HIS HA 1 42 VAL MG1 . . 4.140 4.078 3.825 4.144 0.004 6 0 "[ . 1 . 2]" 1
1019 1 39 HIS HA 1 42 VAL MG2 . . 3.330 2.888 2.158 3.318 . 0 0 "[ . 1 . 2]" 1
1020 1 40 GLU HA 1 40 GLU QG . . 3.120 2.528 2.169 2.927 . 0 0 "[ . 1 . 2]" 1
1021 1 40 GLU HA 1 41 LEU HA . . 5.500 4.754 4.709 4.808 . 0 0 "[ . 1 . 2]" 1
1022 1 40 GLU HA 1 43 THR HB . . 3.720 3.171 2.864 3.422 . 0 0 "[ . 1 . 2]" 1
1023 1 40 GLU HA 1 43 THR MG . . 4.690 4.374 3.866 4.667 . 0 0 "[ . 1 . 2]" 1
1024 1 41 LEU HA 1 41 LEU MD1 . . 3.250 2.252 2.005 2.503 . 0 0 "[ . 1 . 2]" 1
1025 1 41 LEU HA 1 41 LEU MD2 . . 4.110 3.939 3.832 4.017 . 0 0 "[ . 1 . 2]" 1
1026 1 41 LEU HA 1 45 VAL H . . 5.170 3.921 3.575 4.213 . 0 0 "[ . 1 . 2]" 1
1027 1 14 LEU HB3 1 41 LEU HB2 . . 5.040 3.496 2.992 3.901 . 0 0 "[ . 1 . 2]" 1
1028 1 41 LEU HB2 1 41 LEU MD2 . . 3.570 2.402 2.215 2.549 . 0 0 "[ . 1 . 2]" 1
1029 1 41 LEU HB3 1 41 LEU MD2 . . 3.570 2.286 2.097 2.473 . 0 0 "[ . 1 . 2]" 1
1030 1 14 LEU HB3 1 41 LEU MD2 . . 3.290 2.201 1.973 2.688 . 0 0 "[ . 1 . 2]" 1
1031 1 41 LEU HG 1 42 VAL HA . . 4.290 3.260 3.050 3.603 . 0 0 "[ . 1 . 2]" 1
1032 1 41 LEU HG 1 42 VAL MG2 . . 4.060 3.380 3.061 3.855 . 0 0 "[ . 1 . 2]" 1
1033 1 14 LEU HB3 1 86 THR HB . . 5.500 5.111 4.484 5.450 . 0 0 "[ . 1 . 2]" 1
1034 1 41 LEU HG 1 86 THR HB . . 5.500 5.098 4.101 5.494 . 0 0 "[ . 1 . 2]" 1
1035 1 41 LEU HG 1 86 THR MG . . 3.600 3.045 2.428 3.474 . 0 0 "[ . 1 . 2]" 1
1036 1 35 PHE QD 1 41 LEU MD1 . . 3.300 2.787 1.981 3.215 . 0 0 "[ . 1 . 2]" 1
1037 1 78 LEU MD1 1 81 HIS HD2 . . 3.530 2.098 1.905 2.400 . 0 0 "[ . 1 . 2]" 1
1038 1 41 LEU MD1 1 45 VAL MG2 . . 3.100 1.796 1.674 2.001 . 0 0 "[ . 1 . 2]" 1
1039 1 41 LEU MD1 1 62 TRP HH2 . . 4.360 3.398 2.913 3.865 . 0 0 "[ . 1 . 2]" 1
1040 1 62 TRP HH2 1 82 ILE MG . . 4.830 3.886 3.609 4.401 . 0 0 "[ . 1 . 2]" 1
1041 1 41 LEU MD2 1 86 THR HA . . 3.630 3.090 2.284 3.562 . 0 0 "[ . 1 . 2]" 1
1042 1 41 LEU MD2 1 86 THR HB . . 3.360 2.874 2.117 3.316 . 0 0 "[ . 1 . 2]" 1
1043 1 42 VAL H 1 42 VAL MG1 . . 3.840 3.756 3.708 3.771 . 0 0 "[ . 1 . 2]" 1
1044 1 42 VAL H 1 42 VAL MG2 . . 3.180 2.184 1.880 2.516 . 0 0 "[ . 1 . 2]" 1
1045 1 42 VAL HA 1 42 VAL MG1 . . 3.180 2.390 2.244 2.527 . 0 0 "[ . 1 . 2]" 1
1046 1 42 VAL HA 1 42 VAL MG2 . . 2.990 2.338 2.192 2.457 . 0 0 "[ . 1 . 2]" 1
1047 1 42 VAL HA 1 45 VAL HB . . 3.820 3.018 2.912 3.143 . 0 0 "[ . 1 . 2]" 1
1048 1 41 LEU MD1 1 42 VAL HA . . 5.190 4.265 3.984 4.657 . 0 0 "[ . 1 . 2]" 1
1049 1 41 LEU MD2 1 42 VAL HA . . 5.500 4.513 4.171 4.778 . 0 0 "[ . 1 . 2]" 1
1050 1 42 VAL HA 1 82 ILE MG . . 5.500 3.811 3.378 4.223 . 0 0 "[ . 1 . 2]" 1
1051 1 42 VAL HA 1 86 THR MG . . 4.590 4.255 3.853 4.590 . 0 0 "[ . 1 . 2]" 1
1052 1 42 VAL HB 1 43 THR HA . . 4.840 4.209 4.028 4.461 . 0 0 "[ . 1 . 2]" 1
1053 1 43 THR HA 1 47 MET ME . . 5.200 4.207 3.600 4.685 . 0 0 "[ . 1 . 2]" 1
1054 1 42 VAL HB 1 43 THR HB . . 4.950 4.786 4.411 4.936 . 0 0 "[ . 1 . 2]" 1
1055 1 42 VAL MG1 1 43 THR H . . 3.860 3.105 2.694 3.476 . 0 0 "[ . 1 . 2]" 1
1056 1 42 VAL MG1 1 43 THR HA . . 4.070 3.265 2.901 3.638 . 0 0 "[ . 1 . 2]" 1
1057 1 42 VAL MG1 1 46 THR HG1 . . 4.120 2.134 1.848 2.671 . 0 0 "[ . 1 . 2]" 1
1058 1 42 VAL MG2 1 43 THR H . . 3.900 3.742 3.568 3.897 . 0 0 "[ . 1 . 2]" 1
1059 1 43 THR H 1 43 THR MG . . 3.780 3.761 3.680 3.771 . 0 0 "[ . 1 . 2]" 1
1060 1 43 THR HA 1 43 THR MG . . 3.010 2.403 2.355 2.607 . 0 0 "[ . 1 . 2]" 1
1061 1 43 THR HA 1 46 THR H . . 4.120 3.928 3.888 3.948 . 0 0 "[ . 1 . 2]" 1
1062 1 43 THR HA 1 46 THR HB . . 3.690 2.937 2.896 3.005 . 0 0 "[ . 1 . 2]" 1
1063 1 43 THR HA 1 46 THR HG1 . . 4.220 3.878 3.426 4.113 . 0 0 "[ . 1 . 2]" 1
1064 1 43 THR HA 1 47 MET HB2 . . 4.650 4.336 4.185 4.401 . 0 0 "[ . 1 . 2]" 1
1065 1 43 THR MG 1 44 HIS H . . 3.750 3.650 3.294 3.750 . 18 0 "[ . 1 . 2]" 1
1066 1 44 HIS HA 1 48 GLU HB2 . . 3.760 2.008 1.979 2.047 . 0 0 "[ . 1 . 2]" 1
1067 1 44 HIS HA 1 47 MET H . . 5.000 3.609 3.557 3.627 . 0 0 "[ . 1 . 2]" 1
1068 1 44 HIS HA 1 48 GLU HG2 . . 4.100 2.315 2.161 3.350 . 0 0 "[ . 1 . 2]" 1
1069 1 44 HIS HA 1 48 GLU HG3 . . 3.860 2.161 1.993 2.211 . 0 0 "[ . 1 . 2]" 1
1070 1 44 HIS HD2 1 45 VAL HA . . 4.410 2.825 2.770 3.001 . 0 0 "[ . 1 . 2]" 1
1071 1 44 HIS HD2 1 45 VAL MG2 . . 3.550 1.985 1.896 2.089 . 0 0 "[ . 1 . 2]" 1
1072 1 44 HIS HE1 1 48 GLU HB3 . . 4.590 2.889 2.847 2.931 . 0 0 "[ . 1 . 2]" 1
1073 1 44 HIS HE1 1 48 GLU HB2 . . 4.510 3.659 3.641 3.712 . 0 0 "[ . 1 . 2]" 1
1074 1 44 HIS HE1 1 48 GLU HG3 . . 5.040 4.356 4.268 5.025 . 0 0 "[ . 1 . 2]" 1
1075 1 44 HIS HE1 1 48 GLU HG2 . . 5.490 5.496 5.467 5.509 0.019 14 0 "[ . 1 . 2]" 1
1076 1 45 VAL HA 1 45 VAL MG1 . . 3.340 2.300 2.234 2.431 . 0 0 "[ . 1 . 2]" 1
1077 1 45 VAL HA 1 45 VAL MG2 . . 3.320 2.405 2.225 2.486 . 0 0 "[ . 1 . 2]" 1
1078 1 45 VAL HA 1 48 GLU HB2 . . 4.670 4.177 4.155 4.234 . 0 0 "[ . 1 . 2]" 1
1079 1 45 VAL HA 1 82 ILE MG . . 5.070 4.308 4.107 4.498 . 0 0 "[ . 1 . 2]" 1
1080 1 45 VAL HA 1 49 HIS HB2 . . 3.990 1.976 1.972 1.985 . 0 0 "[ . 1 . 2]" 1
1081 1 45 VAL HA 1 49 HIS HB3 . . 5.000 3.319 3.311 3.331 . 0 0 "[ . 1 . 2]" 1
1082 1 45 VAL HA 1 49 HIS HD2 . . 3.340 2.013 1.988 2.120 . 0 0 "[ . 1 . 2]" 1
1083 1 18 TRP HZ3 1 45 VAL HA . . 5.050 3.676 3.449 4.024 . 0 0 "[ . 1 . 2]" 1
1084 1 45 VAL HB 1 46 THR HA . . 4.730 4.370 4.303 4.530 . 0 0 "[ . 1 . 2]" 1
1085 1 18 TRP HZ3 1 45 VAL HB . . 5.500 4.604 4.327 5.238 . 0 0 "[ . 1 . 2]" 1
1086 1 44 HIS H 1 45 VAL HB . . 5.500 4.787 4.621 4.890 . 0 0 "[ . 1 . 2]" 1
1087 1 45 VAL HB 1 62 TRP HZ3 . . 5.500 4.576 4.302 4.995 . 0 0 "[ . 1 . 2]" 1
1088 1 45 VAL HB 1 82 ILE MG . . 3.940 2.312 1.992 2.870 . 0 0 "[ . 1 . 2]" 1
1089 1 45 VAL MG1 1 49 HIS HD2 . . 3.680 2.809 2.354 3.526 . 0 0 "[ . 1 . 2]" 1
1090 1 45 VAL MG1 1 62 TRP HE3 . . 4.450 3.765 3.526 4.098 . 0 0 "[ . 1 . 2]" 1
1091 1 62 TRP HE3 1 85 HIS HB3 . . 4.890 4.417 3.876 4.697 . 0 0 "[ . 1 . 2]" 1
1092 1 18 TRP HZ3 1 45 VAL MG1 . . 3.590 1.958 1.833 2.313 . 0 0 "[ . 1 . 2]" 1
1093 1 45 VAL MG1 1 62 TRP HZ3 . . 3.870 2.018 1.840 2.334 . 0 0 "[ . 1 . 2]" 1
1094 1 45 VAL MG1 1 82 ILE MG . . 2.860 1.686 1.618 1.768 . 0 0 "[ . 1 . 2]" 1
1095 1 45 VAL MG2 1 49 HIS HD2 . . 3.560 2.730 2.338 3.043 . 0 0 "[ . 1 . 2]" 1
1096 1 45 VAL MG2 1 62 TRP HZ3 . . 3.300 3.144 2.623 3.309 0.009 1 0 "[ . 1 . 2]" 1
1097 1 45 VAL MG2 1 62 TRP HH2 . . 4.460 2.729 2.023 3.085 . 0 0 "[ . 1 . 2]" 1
1098 1 46 THR HA 1 46 THR MG . . 3.110 2.276 2.183 2.404 . 0 0 "[ . 1 . 2]" 1
1099 1 46 THR HA 1 47 MET HA . . 4.950 4.621 4.620 4.624 . 0 0 "[ . 1 . 2]" 1
1100 1 46 THR HA 1 50 VAL H . . 4.110 2.859 2.829 2.885 . 0 0 "[ . 1 . 2]" 1
1101 1 46 THR HA 1 50 VAL HA . . 4.970 4.743 4.710 4.807 . 0 0 "[ . 1 . 2]" 1
1102 1 46 THR HA 1 50 VAL HB . . 3.370 1.997 1.991 2.003 . 0 0 "[ . 1 . 2]" 1
1103 1 46 THR HA 1 50 VAL MG1 . . 3.840 3.550 3.409 3.576 . 0 0 "[ . 1 . 2]" 1
1104 1 46 THR HA 1 50 VAL MG2 . . 3.410 2.776 2.654 3.122 . 0 0 "[ . 1 . 2]" 1
1105 1 46 THR HA 1 51 GLY H . . 4.650 4.406 4.329 4.421 . 0 0 "[ . 1 . 2]" 1
1106 1 46 THR HA 1 82 ILE MD . . 3.850 2.752 2.388 3.013 . 0 0 "[ . 1 . 2]" 1
1107 1 46 THR HB 1 47 MET HA . . 4.460 4.265 4.161 4.321 . 0 0 "[ . 1 . 2]" 1
1108 1 46 THR HB 1 47 MET HG3 . . 4.360 2.922 2.678 3.617 . 0 0 "[ . 1 . 2]" 1
1109 1 46 THR HB 1 47 MET HB2 . . 4.620 4.522 4.403 4.576 . 0 0 "[ . 1 . 2]" 1
1110 1 43 THR MG 1 47 MET H . . 3.980 3.696 3.658 3.765 . 0 0 "[ . 1 . 2]" 1
1111 1 46 THR MG 1 47 MET H . . 4.280 3.368 3.285 3.537 . 0 0 "[ . 1 . 2]" 1
1112 1 46 THR MG 1 50 VAL HB . . 3.610 2.726 2.574 3.028 . 0 0 "[ . 1 . 2]" 1
1113 1 46 THR MG 1 79 VAL MG1 . . 3.030 2.711 2.372 2.988 . 0 0 "[ . 1 . 2]" 1
1114 1 46 THR MG 1 79 VAL MG2 . . 2.930 2.133 1.827 2.566 . 0 0 "[ . 1 . 2]" 1
1115 1 47 MET H 1 47 MET HB3 . . 3.670 3.644 3.641 3.646 . 0 0 "[ . 1 . 2]" 1
1116 1 47 MET H 1 47 MET HB2 . . 3.630 2.667 2.566 2.687 . 0 0 "[ . 1 . 2]" 1
1117 1 44 HIS HA 1 47 MET HB2 . . 3.990 3.615 3.524 3.651 . 0 0 "[ . 1 . 2]" 1
1118 1 47 MET HA 1 47 MET HG2 . . 3.190 2.621 2.540 2.693 . 0 0 "[ . 1 . 2]" 1
1119 1 47 MET HA 1 47 MET HG3 . . 3.670 3.505 3.328 3.754 0.084 1 0 "[ . 1 . 2]" 1
1120 1 47 MET HA 1 49 HIS H . . 4.570 3.514 3.507 3.522 . 0 0 "[ . 1 . 2]" 1
1121 1 47 MET HB2 1 48 GLU HG2 . . 3.760 3.020 2.932 3.655 . 0 0 "[ . 1 . 2]" 1
1122 1 47 MET HB3 1 48 GLU H . . 4.230 3.675 3.566 3.696 . 0 0 "[ . 1 . 2]" 1
1123 1 47 MET HB2 1 48 GLU H . . 4.510 2.380 2.350 2.386 . 0 0 "[ . 1 . 2]" 1
1124 1 47 MET HB3 1 48 GLU HA . . 4.640 4.620 4.493 4.645 0.005 12 0 "[ . 1 . 2]" 1
1125 1 47 MET HB2 1 48 GLU HA . . 4.160 4.090 4.072 4.186 0.026 13 0 "[ . 1 . 2]" 1
1126 1 47 MET HG2 1 48 GLU H . . 4.700 4.568 4.341 4.699 . 0 0 "[ . 1 . 2]" 1
1127 1 47 MET HG3 1 48 GLU H . . 4.230 3.846 3.782 4.211 . 0 0 "[ . 1 . 2]" 1
1128 1 48 GLU HA 1 48 GLU HG2 . . 2.920 2.759 2.280 2.836 . 0 0 "[ . 1 . 2]" 1
1129 1 48 GLU HA 1 48 GLU HG3 . . 3.920 3.758 3.499 3.788 . 0 0 "[ . 1 . 2]" 1
1130 1 49 HIS HA 1 50 VAL HA . . 4.790 4.664 4.659 4.668 . 0 0 "[ . 1 . 2]" 1
1131 1 49 HIS HB2 1 50 VAL MG2 . . 4.110 3.716 3.605 4.122 0.012 1 0 "[ . 1 . 2]" 1
1132 1 50 VAL H 1 50 VAL MG1 . . 3.830 3.731 3.622 3.748 . 0 0 "[ . 1 . 2]" 1
1133 1 49 HIS H 1 50 VAL MG2 . . 4.970 4.664 4.595 4.942 . 0 0 "[ . 1 . 2]" 1
1134 1 50 VAL HA 1 50 VAL MG1 . . 3.370 2.443 2.413 2.642 . 0 0 "[ . 1 . 2]" 1
1135 1 50 VAL HA 1 50 VAL MG2 . . 3.340 2.231 2.107 2.332 . 0 0 "[ . 1 . 2]" 1
1136 1 50 VAL HA 1 78 LEU MD2 . . 4.570 3.922 3.544 4.315 . 0 0 "[ . 1 . 2]" 1
1137 1 59 VAL HA 1 78 LEU MD2 . . 4.470 2.686 2.133 3.208 . 0 0 "[ . 1 . 2]" 1
1138 1 50 VAL HB 1 79 VAL MG2 . . 4.340 4.254 4.008 4.344 0.004 1 0 "[ . 1 . 2]" 1
1139 1 50 VAL HB 1 82 ILE MD . . 4.750 3.205 2.896 3.453 . 0 0 "[ . 1 . 2]" 1
1140 1 50 VAL MG1 1 51 GLY H . . 3.880 3.851 3.484 3.896 0.016 7 0 "[ . 1 . 2]" 1
1141 1 50 VAL MG1 1 78 LEU MD2 . . 3.220 1.968 1.791 2.291 . 0 0 "[ . 1 . 2]" 1
1142 1 50 VAL MG2 1 59 VAL H . . 4.170 4.048 3.834 4.173 0.003 14 0 "[ . 1 . 2]" 1
1143 1 50 VAL MG2 1 78 LEU MD2 . . 3.390 2.186 1.857 2.489 . 0 0 "[ . 1 . 2]" 1
1144 1 50 VAL MG2 1 79 VAL HA . . 4.470 4.165 3.988 4.370 . 0 0 "[ . 1 . 2]" 1
1145 1 50 VAL MG2 1 82 ILE HG13 . . 3.950 3.767 3.478 3.955 0.005 4 0 "[ . 1 . 2]" 1
1146 1 50 VAL MG2 1 82 ILE HG12 . . 4.120 3.635 3.427 3.839 . 0 0 "[ . 1 . 2]" 1
1147 1 50 VAL MG2 1 82 ILE MD . . 3.040 1.869 1.711 2.014 . 0 0 "[ . 1 . 2]" 1
1148 1 52 GLY HA2 1 53 PRO HD2 . . 3.560 3.050 2.941 3.138 . 0 0 "[ . 1 . 2]" 1
1149 1 52 GLY HA3 1 53 PRO HD2 . . 3.560 2.055 2.000 2.131 . 0 0 "[ . 1 . 2]" 1
1150 1 52 GLY HA2 1 53 PRO HD3 . . 3.560 2.760 2.656 2.848 . 0 0 "[ . 1 . 2]" 1
1151 1 52 GLY HA3 1 53 PRO HD3 . . 3.560 2.874 2.783 2.985 . 0 0 "[ . 1 . 2]" 1
1152 1 53 PRO HB3 1 54 GLU H . . 4.660 4.400 3.893 4.512 . 0 0 "[ . 1 . 2]" 1
1153 1 54 GLU H 1 54 GLU HB3 . . 4.200 3.108 2.257 3.715 . 0 0 "[ . 1 . 2]" 1
1154 1 54 GLU H 1 54 GLU HG2 . . 4.600 3.519 1.927 4.602 0.002 8 0 "[ . 1 . 2]" 1
1155 1 54 GLU H 1 54 GLU HG3 . . 4.600 3.595 1.995 4.585 . 0 0 "[ . 1 . 2]" 1
1156 1 54 GLU HA 1 54 GLU HG3 . . 3.890 3.278 2.426 3.877 . 0 0 "[ . 1 . 2]" 1
1157 1 54 GLU HA 1 54 GLU HG2 . . 3.890 3.167 2.413 3.887 . 0 0 "[ . 1 . 2]" 1
1158 1 55 GLN HA 1 55 GLN HG2 . . 4.010 2.944 2.242 3.750 . 0 0 "[ . 1 . 2]" 1
1159 1 55 GLN HA 1 55 GLN HG3 . . 4.010 3.117 2.167 3.714 . 0 0 "[ . 1 . 2]" 1
1160 1 55 GLN HB3 1 55 GLN HE21 . . 4.730 2.704 1.898 4.308 . 0 0 "[ . 1 . 2]" 1
1161 1 55 GLN HB3 1 55 GLN HE22 . . 4.730 3.948 3.284 4.778 0.048 18 0 "[ . 1 . 2]" 1
1162 1 58 HIS HA 1 78 LEU MD2 . . 3.800 3.414 2.989 3.787 . 0 0 "[ . 1 . 2]" 1
1163 1 58 HIS HB2 1 78 LEU MD2 . . 4.100 1.968 1.789 2.463 . 0 0 "[ . 1 . 2]" 1
1164 1 58 HIS HB3 1 78 LEU MD2 . . 4.100 2.598 1.827 3.306 . 0 0 "[ . 1 . 2]" 1
1165 1 58 HIS HE1 1 75 LYS QB . . 4.800 3.523 2.222 4.519 . 0 0 "[ . 1 . 2]" 1
1166 1 58 HIS HE1 1 75 LYS HD2 . . 5.430 4.539 2.853 5.398 . 0 0 "[ . 1 . 2]" 1
1167 1 58 HIS HE1 1 75 LYS HD3 . . 5.430 3.489 2.481 5.095 . 0 0 "[ . 1 . 2]" 1
1168 1 59 VAL H 1 59 VAL MG1 . . 4.230 3.958 3.913 3.986 . 0 0 "[ . 1 . 2]" 1
1169 1 59 VAL H 1 59 VAL MG2 . . 3.610 2.761 2.466 2.974 . 0 0 "[ . 1 . 2]" 1
1170 1 59 VAL H 1 78 LEU MD2 . . 4.170 3.339 2.952 3.666 . 0 0 "[ . 1 . 2]" 1
1171 1 59 VAL HA 1 59 VAL MG1 . . 3.510 2.247 2.109 2.382 . 0 0 "[ . 1 . 2]" 1
1172 1 59 VAL HA 1 59 VAL MG2 . . 3.290 2.467 2.320 2.631 . 0 0 "[ . 1 . 2]" 1
1173 1 59 VAL MG2 1 71 SER HB3 . . 3.640 3.043 2.181 3.634 . 0 0 "[ . 1 . 2]" 1
1174 1 59 VAL HA 1 60 CYS HA . . 5.170 4.385 4.372 4.394 . 0 0 "[ . 1 . 2]" 1
1175 1 59 VAL HA 1 60 CYS HB2 . . 5.160 5.030 4.986 5.152 . 0 0 "[ . 1 . 2]" 1
1176 1 59 VAL HA 1 60 CYS HB3 . . 5.160 4.168 4.130 4.212 . 0 0 "[ . 1 . 2]" 1
1177 1 59 VAL HA 1 71 SER HA . . 3.970 3.497 2.972 3.972 0.002 6 0 "[ . 1 . 2]" 1
1178 1 59 VAL HA 1 78 LEU MD1 . . 4.190 3.337 2.994 3.981 . 0 0 "[ . 1 . 2]" 1
1179 1 59 VAL HB 1 60 CYS H . . 5.060 3.969 3.811 4.293 . 0 0 "[ . 1 . 2]" 1
1180 1 59 VAL HB 1 61 TYR QE . . 3.510 2.671 1.992 3.077 . 0 0 "[ . 1 . 2]" 1
1181 1 59 VAL HB 1 61 TYR QD . . 4.420 4.199 3.888 4.376 . 0 0 "[ . 1 . 2]" 1
1182 1 59 VAL MG1 1 60 CYS H . . 3.670 2.461 2.222 2.878 . 0 0 "[ . 1 . 2]" 1
1183 1 59 VAL MG1 1 61 TYR QE . . 3.550 2.818 2.457 3.051 . 0 0 "[ . 1 . 2]" 1
1184 1 59 VAL MG1 1 61 TYR QD . . 4.030 3.474 3.242 3.785 . 0 0 "[ . 1 . 2]" 1
1185 1 59 VAL MG2 1 71 SER HA . . 3.390 2.881 1.978 3.395 0.005 2 0 "[ . 1 . 2]" 1
1186 1 59 VAL MG2 1 71 SER HB2 . . 3.640 3.034 2.061 3.648 0.008 20 0 "[ . 1 . 2]" 1
1187 1 60 CYS H 1 78 LEU MD1 . . 3.890 2.729 2.144 3.359 . 0 0 "[ . 1 . 2]" 1
1188 1 60 CYS HB2 1 78 LEU MD1 . . 3.390 2.881 2.551 3.213 . 0 0 "[ . 1 . 2]" 1
1189 1 60 CYS HB3 1 78 LEU MD1 . . 3.390 2.122 1.939 2.330 . 0 0 "[ . 1 . 2]" 1
1190 1 60 CYS HB2 1 81 HIS HD2 . . 4.120 3.873 3.649 4.132 0.012 18 0 "[ . 1 . 2]" 1
1191 1 60 CYS HB3 1 81 HIS HD2 . . 4.120 2.947 2.701 3.175 . 0 0 "[ . 1 . 2]" 1
1192 1 61 TYR H 1 61 TYR QD . . 4.720 2.227 1.899 2.570 . 0 0 "[ . 1 . 2]" 1
1193 1 20 ASP HA 1 61 TYR HB2 . . 4.120 2.591 2.098 3.037 . 0 0 "[ . 1 . 2]" 1
1194 1 61 TYR HA 1 61 TYR QD . . 3.500 3.080 2.875 3.252 . 0 0 "[ . 1 . 2]" 1
1195 1 20 ASP HA 1 61 TYR QD . . 3.760 3.421 3.097 3.593 . 0 0 "[ . 1 . 2]" 1
1196 1 62 TRP HA 1 62 TRP HD1 . . 5.030 3.992 3.876 4.115 . 0 0 "[ . 1 . 2]" 1
1197 1 62 TRP HA 1 62 TRP HE3 . . 4.220 3.103 2.866 3.300 . 0 0 "[ . 1 . 2]" 1
1198 1 62 TRP HB3 1 63 GLU H . . 4.970 3.564 3.531 3.583 . 0 0 "[ . 1 . 2]" 1
1199 1 62 TRP HB2 1 85 HIS HD2 . . 5.500 4.042 3.961 4.114 . 0 0 "[ . 1 . 2]" 1
1200 1 62 TRP HB3 1 85 HIS HD2 . . 5.500 5.502 5.374 5.528 0.028 20 0 "[ . 1 . 2]" 1
1201 1 62 TRP HD1 1 63 GLU H . . 4.370 3.275 3.041 3.526 . 0 0 "[ . 1 . 2]" 1
1202 1 62 TRP HD1 1 65 CYS H . . 4.700 3.780 3.578 4.646 . 0 0 "[ . 1 . 2]" 1
1203 1 62 TRP HD1 1 85 HIS HE1 . . 5.350 4.482 3.913 5.365 0.015 11 0 "[ . 1 . 2]" 1
1204 1 18 TRP HE3 1 62 TRP HZ3 . . 3.780 2.910 2.465 3.317 . 0 0 "[ . 1 . 2]" 1
1205 1 62 TRP HE3 1 85 HIS HD2 . . 5.190 2.824 2.540 3.602 . 0 0 "[ . 1 . 2]" 1
1206 1 62 TRP HZ3 1 82 ILE MG . . 3.870 2.976 2.760 3.424 . 0 0 "[ . 1 . 2]" 1
1207 1 62 TRP HZ3 1 85 HIS HD2 . . 4.970 3.096 2.626 4.365 . 0 0 "[ . 1 . 2]" 1
1208 1 62 TRP HZ2 1 85 HIS HB2 . . 4.950 4.525 4.249 4.957 0.007 11 0 "[ . 1 . 2]" 1
1209 1 63 GLU H 1 63 GLU HG3 . . 4.620 4.499 4.339 4.637 0.017 3 0 "[ . 1 . 2]" 1
1210 1 63 GLU HA 1 63 GLU HG2 . . 3.750 3.153 2.487 3.808 0.058 9 0 "[ . 1 . 2]" 1
1211 1 63 GLU HA 1 63 GLU HG3 . . 3.750 2.950 2.480 3.726 . 0 0 "[ . 1 . 2]" 1
1212 1 63 GLU HA 1 65 CYS H . . 4.600 4.607 4.542 4.654 0.054 18 0 "[ . 1 . 2]" 1
1213 1 63 GLU HG2 1 64 GLU H . . 5.160 4.123 2.848 5.070 . 0 0 "[ . 1 . 2]" 1
1214 1 63 GLU HG3 1 64 GLU H . . 5.160 4.816 3.937 5.220 0.060 4 0 "[ . 1 . 2]" 1
1215 1 64 GLU HA 1 64 GLU QG . . 3.410 2.816 2.230 3.417 0.007 4 0 "[ . 1 . 2]" 1
1216 1 65 CYS HA 1 66 PRO QG . . 4.510 3.847 3.843 3.857 . 0 0 "[ . 1 . 2]" 1
1217 1 65 CYS HA 1 66 PRO HD2 . . 3.610 2.130 2.122 2.149 . 0 0 "[ . 1 . 2]" 1
1218 1 65 CYS HA 1 66 PRO HD3 . . 3.610 2.255 2.252 2.256 . 0 0 "[ . 1 . 2]" 1
1219 1 65 CYS HA 1 81 HIS HE1 . . 4.370 4.173 3.805 4.363 . 0 0 "[ . 1 . 2]" 1
1220 1 65 CYS HA 1 85 HIS HE1 . . 4.710 2.323 2.134 2.670 . 0 0 "[ . 1 . 2]" 1
1221 1 66 PRO HA 1 68 GLU HG2 . . 4.910 4.307 3.229 4.791 . 0 0 "[ . 1 . 2]" 1
1222 1 66 PRO HA 1 68 GLU HG3 . . 4.910 4.453 3.369 4.919 0.009 14 0 "[ . 1 . 2]" 1
1223 1 66 PRO QG 1 81 HIS HE1 . . 4.280 2.880 2.633 3.343 . 0 0 "[ . 1 . 2]" 1
1224 1 66 PRO HD3 1 85 HIS HE1 . . 4.600 2.698 2.486 3.038 . 0 0 "[ . 1 . 2]" 1
1225 1 66 PRO HD2 1 81 HIS HE1 . . 4.090 2.479 2.381 2.522 . 0 0 "[ . 1 . 2]" 1
1226 1 66 PRO HD3 1 81 HIS HE1 . . 4.090 4.072 3.815 4.107 0.017 16 0 "[ . 1 . 2]" 1
1227 1 66 PRO HD2 1 85 HIS HE1 . . 4.600 2.094 1.988 2.658 . 0 0 "[ . 1 . 2]" 1
1228 1 118 GLU HA 1 119 LYS H . . 3.510 2.258 2.139 2.349 . 0 0 "[ . 1 . 2]" 1
1229 1 67 ARG HA 1 67 ARG HG2 . . 3.960 2.950 2.211 4.063 0.103 20 0 "[ . 1 . 2]" 1
1230 1 67 ARG HA 1 70 LYS H . . 4.920 4.506 3.382 4.891 . 0 0 "[ . 1 . 2]" 1
1231 1 67 ARG HA 1 67 ARG HG3 . . 3.960 3.653 2.567 3.881 . 0 0 "[ . 1 . 2]" 1
1232 1 67 ARG HB3 1 68 GLU H . . 4.830 4.012 3.503 4.415 . 0 0 "[ . 1 . 2]" 1
1233 1 67 ARG HG2 1 81 HIS HE1 . . 4.970 3.276 2.020 4.860 . 0 0 "[ . 1 . 2]" 1
1234 1 67 ARG HG3 1 81 HIS HE1 . . 4.970 3.339 2.542 4.750 . 0 0 "[ . 1 . 2]" 1
1235 1 67 ARG HD2 1 72 PHE HZ . . 5.160 3.841 2.332 5.153 . 0 0 "[ . 1 . 2]" 1
1236 1 67 ARG HD3 1 72 PHE HZ . . 5.160 3.581 2.023 4.819 . 0 0 "[ . 1 . 2]" 1
1237 1 68 GLU HA 1 68 GLU HG2 . . 3.620 2.705 2.449 3.399 . 0 0 "[ . 1 . 2]" 1
1238 1 68 GLU HA 1 68 GLU HG3 . . 3.620 3.399 3.001 3.629 0.009 11 0 "[ . 1 . 2]" 1
1239 1 70 LYS H 1 70 LYS HG2 . . 4.260 3.604 3.100 4.225 . 0 0 "[ . 1 . 2]" 1
1240 1 70 LYS H 1 70 LYS HG3 . . 4.260 4.057 3.595 4.318 0.058 20 0 "[ . 1 . 2]" 1
1241 1 70 LYS HA 1 70 LYS HG2 . . 3.790 2.818 2.131 3.840 0.050 6 0 "[ . 1 . 2]" 1
1242 1 70 LYS HA 1 70 LYS HG3 . . 3.790 3.292 2.152 3.690 . 0 0 "[ . 1 . 2]" 1
1243 1 70 LYS HA 1 70 LYS QD . . 3.330 2.769 1.978 3.354 0.024 6 0 "[ . 1 . 2]" 1
1244 1 70 LYS QE 1 70 LYS HG2 . . 3.740 2.800 2.133 3.564 . 0 0 "[ . 1 . 2]" 1
1245 1 70 LYS QE 1 70 LYS HG3 . . 3.740 2.846 2.113 3.572 . 0 0 "[ . 1 . 2]" 1
1246 1 71 SER HB2 1 72 PHE H . . 4.200 3.083 2.123 4.173 . 0 0 "[ . 1 . 2]" 1
1247 1 71 SER HB3 1 72 PHE H . . 4.200 3.570 2.365 4.120 . 0 0 "[ . 1 . 2]" 1
1248 1 72 PHE HA 1 72 PHE QD . . 3.460 3.029 2.316 3.246 . 0 0 "[ . 1 . 2]" 1
1249 1 72 PHE QE 1 78 LEU HA . . 4.230 3.079 2.763 3.629 . 0 0 "[ . 1 . 2]" 1
1250 1 72 PHE QD 1 77 LYS HB2 . . 3.940 3.341 2.687 3.935 . 0 0 "[ . 1 . 2]" 1
1251 1 72 PHE QD 1 77 LYS HB3 . . 3.940 2.285 1.998 3.805 . 0 0 "[ . 1 . 2]" 1
1252 1 72 PHE QD 1 78 LEU HA . . 4.180 3.163 2.422 3.546 . 0 0 "[ . 1 . 2]" 1
1253 1 73 LYS HA 1 73 LYS HG2 . . 4.130 3.110 2.151 4.145 0.015 16 0 "[ . 1 . 2]" 1
1254 1 73 LYS HA 1 73 LYS HG3 . . 4.130 3.051 2.256 3.916 . 0 0 "[ . 1 . 2]" 1
1255 1 73 LYS HA 1 73 LYS QD . . 3.700 3.133 2.122 3.707 0.007 16 0 "[ . 1 . 2]" 1
1256 1 73 LYS HB2 1 73 LYS QE . . 3.640 2.712 1.958 3.656 0.016 17 0 "[ . 1 . 2]" 1
1257 1 73 LYS HB3 1 73 LYS QE . . 3.640 2.923 1.961 3.640 . 0 0 "[ . 1 . 2]" 1
1258 1 74 ALA H 1 74 ALA MB . . 3.470 2.746 2.563 2.877 . 0 0 "[ . 1 . 2]" 1
1259 1 74 ALA MB 1 75 LYS H . . 4.350 2.474 1.967 3.344 . 0 0 "[ . 1 . 2]" 1
1260 1 74 ALA MB 1 76 TYR QE . . 3.260 2.407 1.976 2.932 . 0 0 "[ . 1 . 2]" 1
1261 1 74 ALA MB 1 76 TYR QD . . 3.270 2.813 2.142 3.201 . 0 0 "[ . 1 . 2]" 1
1262 1 74 ALA MB 1 77 LYS H . . 3.830 2.553 2.107 2.829 . 0 0 "[ . 1 . 2]" 1
1263 1 74 ALA MB 1 77 LYS HB2 . . 4.250 2.970 2.096 3.475 . 0 0 "[ . 1 . 2]" 1
1264 1 74 ALA MB 1 77 LYS HB3 . . 4.250 3.963 3.265 4.238 . 0 0 "[ . 1 . 2]" 1
1265 1 75 LYS HA 1 78 LEU H . . 5.030 3.519 3.294 3.890 . 0 0 "[ . 1 . 2]" 1
1266 1 75 LYS QB 1 75 LYS HE2 . . 4.060 3.516 2.167 4.055 . 0 0 "[ . 1 . 2]" 1
1267 1 50 VAL MG1 1 75 LYS HE3 . . 4.420 4.261 3.757 4.413 . 0 0 "[ . 1 . 2]" 1
1268 1 75 LYS QB 1 75 LYS HE3 . . 4.060 3.098 2.037 4.049 . 0 0 "[ . 1 . 2]" 1
1269 1 76 TYR HA 1 76 TYR QD . . 3.810 3.719 3.634 3.742 . 0 0 "[ . 1 . 2]" 1
1270 1 76 TYR HA 1 78 LEU H . . 4.960 4.255 4.055 4.432 . 0 0 "[ . 1 . 2]" 1
1271 1 76 TYR HA 1 79 VAL H . . 4.260 3.448 3.199 3.657 . 0 0 "[ . 1 . 2]" 1
1272 1 76 TYR HA 1 79 VAL HB . . 3.490 2.492 2.325 2.763 . 0 0 "[ . 1 . 2]" 1
1273 1 76 TYR HA 1 79 VAL MG2 . . 3.490 2.966 2.513 3.333 . 0 0 "[ . 1 . 2]" 1
1274 1 76 TYR HB3 1 77 LYS H . . 5.090 4.104 3.813 4.313 . 0 0 "[ . 1 . 2]" 1
1275 1 76 TYR HB2 1 79 VAL HB . . 4.660 4.403 3.871 4.660 . 0 0 "[ . 1 . 2]" 1
1276 1 76 TYR HB3 1 79 VAL HB . . 4.990 4.793 4.397 4.991 0.001 20 0 "[ . 1 . 2]" 1
1277 1 76 TYR QE 1 77 LYS H . . 4.850 4.133 3.569 4.693 . 0 0 "[ . 1 . 2]" 1
1278 1 76 TYR QE 1 77 LYS QG . . 3.750 2.902 2.133 3.869 0.119 18 0 "[ . 1 . 2]" 1
1279 1 76 TYR QD 1 77 LYS H . . 4.290 3.109 2.313 3.715 . 0 0 "[ . 1 . 2]" 1
1280 1 76 TYR QD 1 77 LYS HA . . 4.520 3.261 2.688 4.007 . 0 0 "[ . 1 . 2]" 1
1281 1 76 TYR QD 1 77 LYS QG . . 4.070 3.164 2.019 3.843 . 0 0 "[ . 1 . 2]" 1
1282 1 77 LYS HA 1 77 LYS HD2 . . 4.180 2.566 2.001 4.178 . 0 0 "[ . 1 . 2]" 1
1283 1 77 LYS HA 1 77 LYS QG . . 3.590 2.811 2.125 3.045 . 0 0 "[ . 1 . 2]" 1
1284 1 77 LYS HA 1 77 LYS HD3 . . 4.180 3.320 2.065 3.726 . 0 0 "[ . 1 . 2]" 1
1285 1 77 LYS HA 1 80 ASN QB . . 3.750 3.383 2.930 3.750 . 13 0 "[ . 1 . 2]" 1
1286 1 78 LEU HA 1 82 ILE HG13 . . 5.500 4.676 4.479 4.912 . 0 0 "[ . 1 . 2]" 1
1287 1 77 LYS QE 1 77 LYS QG . . 3.110 2.450 2.126 2.903 . 0 0 "[ . 1 . 2]" 1
1288 1 78 LEU HA 1 78 LEU MD1 . . 3.380 2.090 1.942 2.444 . 0 0 "[ . 1 . 2]" 1
1289 1 41 LEU HA 1 41 LEU HG . . 3.890 3.324 3.145 3.451 . 0 0 "[ . 1 . 2]" 1
1290 1 78 LEU HA 1 78 LEU HG . . 4.260 3.451 3.260 3.662 . 0 0 "[ . 1 . 2]" 1
1291 1 78 LEU HA 1 78 LEU MD2 . . 4.080 3.875 3.676 3.999 . 0 0 "[ . 1 . 2]" 1
1292 1 78 LEU HA 1 81 HIS HB2 . . 4.120 3.674 3.490 3.952 . 0 0 "[ . 1 . 2]" 1
1293 1 78 LEU HA 1 81 HIS HB3 . . 4.120 2.481 2.329 2.735 . 0 0 "[ . 1 . 2]" 1
1294 1 78 LEU HA 1 81 HIS HD2 . . 4.610 4.030 3.511 4.428 . 0 0 "[ . 1 . 2]" 1
1295 1 78 LEU HG 1 79 VAL H . . 4.900 3.279 2.930 3.580 . 0 0 "[ . 1 . 2]" 1
1296 1 78 LEU HG 1 79 VAL HA . . 4.130 3.327 3.061 3.673 . 0 0 "[ . 1 . 2]" 1
1297 1 78 LEU HG 1 82 ILE MD . . 3.240 2.900 2.656 3.233 . 0 0 "[ . 1 . 2]" 1
1298 1 79 VAL H 1 79 VAL HB . . 3.780 2.505 2.313 2.621 . 0 0 "[ . 1 . 2]" 1
1299 1 79 VAL H 1 79 VAL MG1 . . 3.810 3.757 3.698 3.768 . 0 0 "[ . 1 . 2]" 1
1300 1 79 VAL H 1 79 VAL MG2 . . 3.320 2.214 1.969 2.549 . 0 0 "[ . 1 . 2]" 1
1301 1 79 VAL HA 1 79 VAL MG1 . . 3.220 2.410 2.342 2.534 . 0 0 "[ . 1 . 2]" 1
1302 1 79 VAL HA 1 79 VAL MG2 . . 3.100 2.282 2.128 2.459 . 0 0 "[ . 1 . 2]" 1
1303 1 79 VAL HA 1 81 HIS H . . 4.770 4.191 3.895 4.385 . 0 0 "[ . 1 . 2]" 1
1304 1 79 VAL HA 1 82 ILE HB . . 3.950 3.703 3.225 3.952 0.002 6 0 "[ . 1 . 2]" 1
1305 1 79 VAL HA 1 82 ILE HG13 . . 4.040 2.479 2.057 2.797 . 0 0 "[ . 1 . 2]" 1
1306 1 79 VAL HA 1 82 ILE HG12 . . 4.780 4.155 3.759 4.524 . 0 0 "[ . 1 . 2]" 1
1307 1 46 THR MG 1 79 VAL HA . . 4.410 3.595 3.147 4.168 . 0 0 "[ . 1 . 2]" 1
1308 1 78 LEU MD1 1 79 VAL HA . . 4.930 3.989 3.244 4.582 . 0 0 "[ . 1 . 2]" 1
1309 1 79 VAL HA 1 82 ILE MD . . 3.370 2.806 2.284 3.228 . 0 0 "[ . 1 . 2]" 1
1310 1 79 VAL MG1 1 80 ASN HA . . 3.650 3.342 3.052 3.585 . 0 0 "[ . 1 . 2]" 1
1311 1 80 ASN HA 1 83 ARG HG3 . . 4.030 2.570 2.002 4.075 0.045 17 0 "[ . 1 . 2]" 1
1312 1 80 ASN HA 1 83 ARG HD2 . . 4.490 4.023 1.984 4.483 . 0 0 "[ . 1 . 2]" 1
1313 1 80 ASN HA 1 83 ARG HD3 . . 4.490 3.681 1.996 4.458 . 0 0 "[ . 1 . 2]" 1
1314 1 81 HIS HA 1 84 VAL H . . 4.270 3.746 3.450 3.970 . 0 0 "[ . 1 . 2]" 1
1315 1 81 HIS HA 1 84 VAL MG1 . . 3.830 2.782 2.256 3.357 . 0 0 "[ . 1 . 2]" 1
1316 1 81 HIS HD2 1 82 ILE HA . . 4.190 3.390 2.864 3.749 . 0 0 "[ . 1 . 2]" 1
1317 1 81 HIS HD2 1 82 ILE HG13 . . 4.380 3.281 3.029 3.663 . 0 0 "[ . 1 . 2]" 1
1318 1 81 HIS HD2 1 82 ILE HG12 . . 4.240 2.353 2.130 2.785 . 0 0 "[ . 1 . 2]" 1
1319 1 81 HIS HE1 1 84 VAL MG2 . . 4.860 3.313 2.957 3.488 . 0 0 "[ . 1 . 2]" 1
1320 1 82 ILE H 1 82 ILE MG . . 3.950 3.732 3.716 3.758 . 0 0 "[ . 1 . 2]" 1
1321 1 82 ILE H 1 82 ILE HG13 . . 3.730 1.931 1.897 1.998 . 0 0 "[ . 1 . 2]" 1
1322 1 82 ILE H 1 82 ILE HG12 . . 4.000 2.592 2.443 2.938 . 0 0 "[ . 1 . 2]" 1
1323 1 82 ILE HA 1 82 ILE MG . . 3.460 2.305 2.255 2.345 . 0 0 "[ . 1 . 2]" 1
1324 1 82 ILE HA 1 82 ILE HG13 . . 3.780 3.421 3.278 3.491 . 0 0 "[ . 1 . 2]" 1
1325 1 82 ILE HA 1 82 ILE HG12 . . 4.030 2.576 2.541 2.602 . 0 0 "[ . 1 . 2]" 1
1326 1 82 ILE HA 1 82 ILE MD . . 3.840 3.748 3.702 3.822 . 0 0 "[ . 1 . 2]" 1
1327 1 82 ILE HA 1 84 VAL MG2 . . 4.660 3.518 3.288 3.756 . 0 0 "[ . 1 . 2]" 1
1328 1 82 ILE HA 1 85 HIS HD2 . . 3.400 2.584 1.994 2.812 . 0 0 "[ . 1 . 2]" 1
1329 1 82 ILE HB 1 82 ILE MD . . 2.960 2.525 2.430 2.582 . 0 0 "[ . 1 . 2]" 1
1330 1 82 ILE HB 1 83 ARG HA . . 4.200 4.120 4.071 4.200 . 0 0 "[ . 1 . 2]" 1
1331 1 82 ILE HB 1 85 HIS HD2 . . 5.050 4.926 4.458 5.057 0.007 3 0 "[ . 1 . 2]" 1
1332 1 45 VAL MG2 1 82 ILE MG . . 3.520 2.982 2.782 3.282 . 0 0 "[ . 1 . 2]" 1
1333 1 78 LEU MD1 1 82 ILE HG13 . . 3.270 2.912 2.024 3.225 . 0 0 "[ . 1 . 2]" 1
1334 1 82 ILE HG13 1 82 ILE MG . . 3.690 3.179 3.167 3.192 . 0 0 "[ . 1 . 2]" 1
1335 1 78 LEU MD1 1 82 ILE HG12 . . 3.940 2.632 2.315 2.953 . 0 0 "[ . 1 . 2]" 1
1336 1 82 ILE MD 1 82 ILE MG . . 2.740 1.907 1.850 2.036 . 0 0 "[ . 1 . 2]" 1
1337 1 82 ILE MG 1 83 ARG H . . 4.040 3.995 3.867 4.045 0.005 1 0 "[ . 1 . 2]" 1
1338 1 81 HIS HD2 1 82 ILE MG . . 4.530 4.247 3.917 4.550 0.020 17 0 "[ . 1 . 2]" 1
1339 1 82 ILE MG 1 85 HIS HD2 . . 4.030 2.520 2.303 2.760 . 0 0 "[ . 1 . 2]" 1
1340 1 41 LEU MD2 1 86 THR MG . . 3.100 1.892 1.678 2.238 . 0 0 "[ . 1 . 2]" 1
1341 1 82 ILE HG13 1 83 ARG H . . 4.220 4.094 3.977 4.184 . 0 0 "[ . 1 . 2]" 1
1342 1 82 ILE HG12 1 83 ARG H . . 4.950 4.739 4.644 4.918 . 0 0 "[ . 1 . 2]" 1
1343 1 82 ILE HG13 1 85 HIS HD2 . . 5.320 5.132 4.581 5.324 0.004 16 0 "[ . 1 . 2]" 1
1344 1 45 VAL MG2 1 85 HIS HD2 . . 5.500 5.121 4.790 5.503 0.003 11 0 "[ . 1 . 2]" 1
1345 1 82 ILE HG12 1 85 HIS HD2 . . 4.170 3.591 3.152 3.824 . 0 0 "[ . 1 . 2]" 1
1346 1 83 ARG H 1 83 ARG HB3 . . 4.030 3.584 3.566 3.593 . 0 0 "[ . 1 . 2]" 1
1347 1 83 ARG H 1 83 ARG HD2 . . 4.470 3.564 1.826 4.422 . 0 0 "[ . 1 . 2]" 1
1348 1 83 ARG H 1 83 ARG HD3 . . 4.470 3.699 1.844 4.545 0.075 15 0 "[ . 1 . 2]" 1
1349 1 83 ARG HA 1 83 ARG HG3 . . 4.180 3.712 2.609 3.892 . 0 0 "[ . 1 . 2]" 1
1350 1 83 ARG HA 1 83 ARG HG2 . . 4.180 3.208 2.894 3.720 . 0 0 "[ . 1 . 2]" 1
1351 1 83 ARG HA 1 83 ARG HD2 . . 4.110 2.790 2.103 3.860 . 0 0 "[ . 1 . 2]" 1
1352 1 83 ARG HA 1 83 ARG HD3 . . 4.110 3.248 2.276 3.947 . 0 0 "[ . 1 . 2]" 1
1353 1 83 ARG HA 1 85 HIS H . . 4.030 3.917 3.641 4.036 0.006 14 0 "[ . 1 . 2]" 1
1354 1 83 ARG HA 1 86 THR H . . 3.980 3.781 3.419 3.982 0.002 20 0 "[ . 1 . 2]" 1
1355 1 83 ARG HA 1 86 THR MG . . 4.070 2.731 2.306 3.489 . 0 0 "[ . 1 . 2]" 1
1356 1 84 VAL H 1 84 VAL HB . . 3.750 3.636 3.601 3.669 . 0 0 "[ . 1 . 2]" 1
1357 1 84 VAL H 1 84 VAL MG1 . . 3.070 2.084 1.920 2.260 . 0 0 "[ . 1 . 2]" 1
1358 1 84 VAL H 1 84 VAL MG2 . . 3.130 2.386 2.236 2.576 . 0 0 "[ . 1 . 2]" 1
1359 1 84 VAL HA 1 84 VAL MG2 . . 3.280 3.174 3.154 3.185 . 0 0 "[ . 1 . 2]" 1
1360 1 84 VAL HB 1 85 HIS H . . 4.280 4.178 4.038 4.294 0.014 10 0 "[ . 1 . 2]" 1
1361 1 84 VAL MG2 1 85 HIS H . . 3.720 2.208 2.061 2.512 . 0 0 "[ . 1 . 2]" 1
1362 1 84 VAL MG2 1 85 HIS HA . . 4.880 3.210 3.051 3.450 . 0 0 "[ . 1 . 2]" 1
1363 1 84 VAL MG2 1 85 HIS HD2 . . 4.690 4.315 3.467 4.675 . 0 0 "[ . 1 . 2]" 1
1364 1 84 VAL MG2 1 85 HIS HE1 . . 4.150 3.500 3.020 3.917 . 0 0 "[ . 1 . 2]" 1
1365 1 81 HIS HD2 1 85 HIS HD2 . . 4.590 4.230 3.887 4.500 . 0 0 "[ . 1 . 2]" 1
1366 1 45 VAL MG1 1 85 HIS HD2 . . 4.190 3.462 3.195 3.853 . 0 0 "[ . 1 . 2]" 1
1367 1 85 HIS HB2 1 85 HIS HD2 . . 3.920 2.812 2.693 2.889 . 0 0 "[ . 1 . 2]" 1
1368 1 62 TRP HZ3 1 85 HIS HB3 . . 4.780 3.841 3.511 4.266 . 0 0 "[ . 1 . 2]" 1
1369 1 85 HIS HB3 1 86 THR H . . 5.260 4.032 3.789 4.293 . 0 0 "[ . 1 . 2]" 1
1370 1 62 TRP HZ3 1 85 HIS HB2 . . 5.090 4.079 3.767 4.381 . 0 0 "[ . 1 . 2]" 1
1371 1 81 HIS HE1 1 85 HIS HD2 . . 5.500 4.907 4.312 5.097 . 0 0 "[ . 1 . 2]" 1
1372 1 86 THR H 1 86 THR MG . . 3.140 2.369 1.920 2.957 . 0 0 "[ . 1 . 2]" 1
1373 1 86 THR HA 1 86 THR MG . . 3.130 2.427 2.050 2.622 . 0 0 "[ . 1 . 2]" 1
1374 1 88 GLU H 1 88 GLU HG2 . . 4.860 4.527 4.186 4.688 . 0 0 "[ . 1 . 2]" 1
1375 1 88 GLU HA 1 88 GLU HG2 . . 3.730 2.972 2.284 3.598 . 0 0 "[ . 1 . 2]" 1
1376 1 88 GLU HA 1 88 GLU HG3 . . 3.730 2.533 2.189 3.570 . 0 0 "[ . 1 . 2]" 1
1377 1 100 LYS HA 1 101 ILE HB . . 5.160 4.829 4.748 4.916 . 0 0 "[ . 1 . 2]" 1
1378 1 100 LYS HA 1 101 ILE MG . . 5.500 5.345 5.305 5.380 . 0 0 "[ . 1 . 2]" 1
1379 1 100 LYS HA 1 101 ILE MD . . 4.870 4.682 4.557 4.753 . 0 0 "[ . 1 . 2]" 1
1380 1 89 LYS H 1 89 LYS QE . . 5.500 4.817 3.578 5.540 0.040 18 0 "[ . 1 . 2]" 1
1381 1 89 LYS QE 1 91 PHE H . . 5.500 5.380 4.778 5.552 0.052 18 0 "[ . 1 . 2]" 1
1382 1 89 LYS HA 1 89 LYS HG2 . . 3.990 3.279 3.066 3.614 . 0 0 "[ . 1 . 2]" 1
1383 1 89 LYS HA 1 89 LYS HG3 . . 3.990 3.443 2.037 3.989 . 0 0 "[ . 1 . 2]" 1
1384 1 89 LYS HA 1 89 LYS HD2 . . 4.410 2.916 1.999 4.424 0.014 9 0 "[ . 1 . 2]" 1
1385 1 89 LYS HA 1 89 LYS HD3 . . 4.410 3.892 3.483 4.280 . 0 0 "[ . 1 . 2]" 1
1386 1 89 LYS HA 1 90 PRO HG2 . . 4.640 4.486 4.396 4.602 . 0 0 "[ . 1 . 2]" 1
1387 1 89 LYS HA 1 90 PRO HG3 . . 4.640 4.455 4.394 4.541 . 0 0 "[ . 1 . 2]" 1
1388 1 89 LYS HA 1 90 PRO HD3 . . 3.620 2.293 2.260 2.349 . 0 0 "[ . 1 . 2]" 1
1389 1 89 LYS HA 1 90 PRO HD2 . . 3.620 2.367 2.255 2.509 . 0 0 "[ . 1 . 2]" 1
1390 1 89 LYS HB3 1 89 LYS QE . . 4.740 2.655 1.931 4.053 . 0 0 "[ . 1 . 2]" 1
1391 1 89 LYS HB2 1 90 PRO HD2 . . 5.060 3.427 3.089 3.939 . 0 0 "[ . 1 . 2]" 1
1392 1 89 LYS HB2 1 90 PRO HD3 . . 5.060 4.543 4.304 4.859 . 0 0 "[ . 1 . 2]" 1
1393 1 89 LYS HB3 1 90 PRO HD2 . . 5.060 2.163 1.993 2.956 . 0 0 "[ . 1 . 2]" 1
1394 1 89 LYS HB3 1 90 PRO HD3 . . 5.060 3.544 3.352 4.193 . 0 0 "[ . 1 . 2]" 1
1395 1 89 LYS HB2 1 101 ILE MD . . 4.630 3.447 2.760 3.827 . 0 0 "[ . 1 . 2]" 1
1396 1 89 LYS HB3 1 101 ILE MD . . 4.630 4.191 3.585 4.629 . 0 0 "[ . 1 . 2]" 1
1397 1 89 LYS QE 1 89 LYS HG3 . . 3.580 2.492 2.100 3.332 . 0 0 "[ . 1 . 2]" 1
1398 1 89 LYS QE 1 89 LYS HG2 . . 3.580 2.974 2.049 3.459 . 0 0 "[ . 1 . 2]" 1
1399 1 90 PRO HG2 1 91 PHE H . . 4.830 1.885 1.821 1.915 . 0 0 "[ . 1 . 2]" 1
1400 1 90 PRO HG3 1 91 PHE H . . 4.830 3.507 3.274 3.540 . 0 0 "[ . 1 . 2]" 1
1401 1 90 PRO HD2 1 103 ALA HA . . 3.980 2.394 2.005 3.210 . 0 0 "[ . 1 . 2]" 1
1402 1 90 PRO HD3 1 103 ALA HA . . 3.980 2.664 2.019 3.608 . 0 0 "[ . 1 . 2]" 1
1403 1 90 PRO HD2 1 103 ALA MB . . 4.540 3.918 3.383 4.403 . 0 0 "[ . 1 . 2]" 1
1404 1 90 PRO HD3 1 103 ALA MB . . 4.540 3.692 3.072 4.308 . 0 0 "[ . 1 . 2]" 1
1405 1 91 PHE H 1 92 PRO HD3 . . 5.010 4.496 4.145 4.821 . 0 0 "[ . 1 . 2]" 1
1406 1 91 PHE H 1 101 ILE MG . . 3.920 3.619 3.327 3.868 . 0 0 "[ . 1 . 2]" 1
1407 1 91 PHE HA 1 91 PHE QD . . 3.960 3.638 3.554 3.676 . 0 0 "[ . 1 . 2]" 1
1408 1 91 PHE HA 1 92 PRO HG2 . . 4.450 4.304 4.169 4.390 . 0 0 "[ . 1 . 2]" 1
1409 1 91 PHE HA 1 92 PRO HG3 . . 4.450 4.353 4.314 4.389 . 0 0 "[ . 1 . 2]" 1
1410 1 91 PHE HA 1 92 PRO HD2 . . 3.570 2.140 1.969 2.248 . 0 0 "[ . 1 . 2]" 1
1411 1 91 PHE HA 1 92 PRO HD3 . . 3.570 2.269 2.251 2.331 . 0 0 "[ . 1 . 2]" 1
1412 1 91 PHE QE 1 105 SER HA . . 4.140 2.192 1.997 2.575 . 0 0 "[ . 1 . 2]" 1
1413 1 108 LEU HB2 1 111 HIS QB . . 5.360 4.733 4.561 4.917 . 0 0 "[ . 1 . 2]" 1
1414 1 108 LEU HB3 1 111 HIS QB . . 5.360 5.104 4.943 5.278 . 0 0 "[ . 1 . 2]" 1
1415 1 105 SER HA 1 108 LEU HB3 . . 4.220 3.202 2.968 3.487 . 0 0 "[ . 1 . 2]" 1
1416 1 91 PHE HB3 1 108 LEU MD2 . . 4.390 4.332 4.081 4.394 0.004 8 0 "[ . 1 . 2]" 1
1417 1 91 PHE HB2 1 108 LEU MD2 . . 3.270 3.039 2.625 3.352 0.082 18 0 "[ . 1 . 2]" 1
1418 1 89 LYS QE 1 92 PRO HA . . 5.500 4.951 4.360 5.441 . 0 0 "[ . 1 . 2]" 1
1419 1 91 PHE HB2 1 92 PRO HA . . 5.500 4.895 4.810 5.225 . 0 0 "[ . 1 . 2]" 1
1420 1 92 PRO HA 1 93 CYS HB3 . . 5.500 5.016 4.958 5.077 . 0 0 "[ . 1 . 2]" 1
1421 1 92 PRO HA 1 101 ILE HA . . 3.660 2.491 2.066 2.716 . 0 0 "[ . 1 . 2]" 1
1422 1 92 PRO HA 1 101 ILE HB . . 4.350 4.059 3.864 4.305 . 0 0 "[ . 1 . 2]" 1
1423 1 92 PRO HA 1 101 ILE MG . . 3.320 1.873 1.809 2.043 . 0 0 "[ . 1 . 2]" 1
1424 1 92 PRO HA 1 101 ILE HG13 . . 4.500 4.000 3.670 4.387 . 0 0 "[ . 1 . 2]" 1
1425 1 92 PRO HA 1 101 ILE HG12 . . 4.420 2.419 2.035 2.952 . 0 0 "[ . 1 . 2]" 1
1426 1 92 PRO HA 1 101 ILE MD . . 4.160 3.291 2.768 4.006 . 0 0 "[ . 1 . 2]" 1
1427 1 92 PRO HB2 1 101 ILE MG . . 4.020 3.866 3.337 4.028 0.008 10 0 "[ . 1 . 2]" 1
1428 1 92 PRO HB3 1 101 ILE MG . . 4.020 2.752 1.970 3.051 . 0 0 "[ . 1 . 2]" 1
1429 1 92 PRO HB2 1 101 ILE HG12 . . 4.480 3.118 2.839 3.344 . 0 0 "[ . 1 . 2]" 1
1430 1 92 PRO HB2 1 101 ILE HG13 . . 4.990 4.737 4.389 4.991 0.001 7 0 "[ . 1 . 2]" 1
1431 1 92 PRO HB3 1 101 ILE HG13 . . 4.990 4.035 3.692 4.383 . 0 0 "[ . 1 . 2]" 1
1432 1 92 PRO HB3 1 101 ILE HG12 . . 4.480 2.427 2.028 2.733 . 0 0 "[ . 1 . 2]" 1
1433 1 93 CYS H 1 101 ILE MG . . 4.210 3.951 3.757 4.159 . 0 0 "[ . 1 . 2]" 1
1434 1 93 CYS H 1 101 ILE HG13 . . 4.980 4.428 4.184 4.782 . 0 0 "[ . 1 . 2]" 1
1435 1 93 CYS HA 1 94 PRO HG2 . . 4.530 4.305 4.265 4.317 . 0 0 "[ . 1 . 2]" 1
1436 1 93 CYS HA 1 94 PRO HG3 . . 4.530 4.345 4.329 4.350 . 0 0 "[ . 1 . 2]" 1
1437 1 93 CYS HA 1 94 PRO HD3 . . 3.800 2.253 2.252 2.261 . 0 0 "[ . 1 . 2]" 1
1438 1 93 CYS HA 1 108 LEU MD1 . . 3.260 2.060 1.955 2.366 . 0 0 "[ . 1 . 2]" 1
1439 1 93 CYS HB3 1 94 PRO HD2 . . 4.540 4.021 4.005 4.089 . 0 0 "[ . 1 . 2]" 1
1440 1 93 CYS HB2 1 94 PRO HD2 . . 4.640 3.659 3.607 3.777 . 0 0 "[ . 1 . 2]" 1
1441 1 93 CYS HB2 1 94 PRO HD3 . . 4.860 4.574 4.536 4.660 . 0 0 "[ . 1 . 2]" 1
1442 1 91 PHE HB2 1 94 PRO HD3 . . 5.500 5.389 5.230 5.514 0.014 18 0 "[ . 1 . 2]" 1
1443 1 93 CYS HB3 1 94 PRO HD3 . . 5.500 4.924 4.912 4.954 . 0 0 "[ . 1 . 2]" 1
1444 1 93 CYS HB2 1 95 PHE H . . 4.790 4.203 4.111 4.435 . 0 0 "[ . 1 . 2]" 1
1445 1 93 CYS HB3 1 100 LYS HB2 . . 4.800 4.727 4.390 4.812 0.012 13 0 "[ . 1 . 2]" 1
1446 1 89 LYS QE 1 101 ILE HA . . 5.110 4.162 3.650 4.803 . 0 0 "[ . 1 . 2]" 1
1447 1 93 CYS HB3 1 101 ILE HA . . 5.500 4.758 4.495 4.973 . 0 0 "[ . 1 . 2]" 1
1448 1 108 LEU MD1 1 111 HIS QB . . 3.110 2.989 2.670 3.111 0.001 5 0 "[ . 1 . 2]" 1
1449 1 93 CYS HB2 1 108 LEU MD1 . . 3.660 3.012 2.652 3.219 . 0 0 "[ . 1 . 2]" 1
1450 1 93 CYS HB2 1 111 HIS HD2 . . 4.050 3.701 3.257 4.050 . 1 0 "[ . 1 . 2]" 1
1451 1 112 LYS HB2 1 112 LYS HE2 . . 4.020 2.944 2.226 3.366 . 0 0 "[ . 1 . 2]" 1
1452 1 94 PRO HD2 1 108 LEU HG . . 4.520 4.183 3.789 4.494 . 0 0 "[ . 1 . 2]" 1
1453 1 94 PRO HD2 1 108 LEU MD1 . . 3.650 2.379 1.990 2.845 . 0 0 "[ . 1 . 2]" 1
1454 1 94 PRO HD3 1 108 LEU MD1 . . 3.780 2.522 1.981 3.159 . 0 0 "[ . 1 . 2]" 1
1455 1 94 PRO HD2 1 108 LEU MD2 . . 4.280 3.851 3.496 4.244 . 0 0 "[ . 1 . 2]" 1
1456 1 94 PRO HD3 1 108 LEU MD2 . . 4.320 2.846 2.383 3.638 . 0 0 "[ . 1 . 2]" 1
1457 1 94 PRO HD2 1 112 LYS HD2 . . 4.990 2.817 2.197 3.207 . 0 0 "[ . 1 . 2]" 1
1458 1 94 PRO HD2 1 112 LYS HD3 . . 4.990 4.229 3.762 4.628 . 0 0 "[ . 1 . 2]" 1
1459 1 94 PRO HD2 1 112 LYS HE2 . . 4.960 4.559 4.152 4.972 0.012 9 0 "[ . 1 . 2]" 1
1460 1 94 PRO HD3 1 112 LYS HE2 . . 4.560 4.359 4.035 4.563 0.003 4 0 "[ . 1 . 2]" 1
1461 1 94 PRO HD2 1 112 LYS HE3 . . 4.960 4.414 3.773 4.961 0.001 10 0 "[ . 1 . 2]" 1
1462 1 94 PRO HD3 1 112 LYS HE3 . . 4.560 3.783 3.081 4.410 . 0 0 "[ . 1 . 2]" 1
1463 1 121 PHE HB3 1 122 LYS H . . 3.940 3.562 2.786 3.937 . 0 0 "[ . 1 . 2]" 1
1464 1 95 PHE H 1 96 PRO HD2 . . 4.860 4.823 4.786 4.841 . 0 0 "[ . 1 . 2]" 1
1465 1 112 LYS H 1 115 HIS HD2 . . 4.920 4.702 4.227 4.917 . 0 0 "[ . 1 . 2]" 1
1466 1 95 PHE HA 1 95 PHE QD . . 3.750 3.050 2.917 3.089 . 0 0 "[ . 1 . 2]" 1
1467 1 95 PHE HA 1 96 PRO QG . . 3.980 3.829 3.802 3.846 . 0 0 "[ . 1 . 2]" 1
1468 1 95 PHE HA 1 96 PRO HD3 . . 3.360 2.262 2.254 2.281 . 0 0 "[ . 1 . 2]" 1
1469 1 95 PHE HA 1 96 PRO HD2 . . 3.220 2.093 2.036 2.129 . 0 0 "[ . 1 . 2]" 1
1470 1 121 PHE HB3 1 132 PHE QD . . 4.520 3.337 2.798 3.862 . 0 0 "[ . 1 . 2]" 1
1471 1 95 PHE QD 1 96 PRO HB2 . . 4.320 4.359 4.323 4.380 0.060 20 0 "[ . 1 . 2]" 1
1472 1 121 PHE HB3 1 138 ARG HD3 . . 4.270 2.977 2.628 3.388 . 0 0 "[ . 1 . 2]" 1
1473 1 95 PHE HB2 1 96 PRO HD2 . . 4.180 3.993 3.927 4.131 . 0 0 "[ . 1 . 2]" 1
1474 1 95 PHE HB2 1 98 CYS HB3 . . 4.180 3.685 3.533 4.114 . 0 0 "[ . 1 . 2]" 1
1475 1 95 PHE HB2 1 98 CYS HB2 . . 4.180 3.479 3.399 3.658 . 0 0 "[ . 1 . 2]" 1
1476 1 95 PHE HB2 1 115 HIS HD2 . . 4.280 3.211 2.784 3.746 . 0 0 "[ . 1 . 2]" 1
1477 1 95 PHE HB3 1 115 HIS HD2 . . 4.870 4.411 4.078 4.635 . 0 0 "[ . 1 . 2]" 1
1478 1 95 PHE HB2 1 98 CYS H . . 5.400 5.256 4.618 5.409 0.009 13 0 "[ . 1 . 2]" 1
1479 1 95 PHE HB2 1 115 HIS HE1 . . 4.700 4.101 3.094 4.709 0.009 9 0 "[ . 1 . 2]" 1
1480 1 95 PHE HB3 1 115 HIS HE1 . . 4.510 3.746 2.557 4.411 . 0 0 "[ . 1 . 2]" 1
1481 1 95 PHE QD 1 98 CYS H . . 4.130 2.772 2.069 2.956 . 0 0 "[ . 1 . 2]" 1
1482 1 95 PHE QE 1 96 PRO HD3 . . 5.280 4.876 4.815 5.026 . 0 0 "[ . 1 . 2]" 1
1483 1 95 PHE QE 1 96 PRO HD2 . . 5.300 3.361 3.270 3.546 . 0 0 "[ . 1 . 2]" 1
1484 1 95 PHE QD 1 96 PRO HD3 . . 4.180 3.814 3.638 3.892 . 0 0 "[ . 1 . 2]" 1
1485 1 95 PHE QD 1 96 PRO HD2 . . 4.220 2.490 2.204 2.711 . 0 0 "[ . 1 . 2]" 1
1486 1 100 LYS H 1 100 LYS QG . . 4.220 3.926 3.894 4.025 . 0 0 "[ . 1 . 2]" 1
1487 1 100 LYS HA 1 100 LYS QG . . 3.440 2.998 2.980 3.028 . 0 0 "[ . 1 . 2]" 1
1488 1 100 LYS HA 1 100 LYS HD2 . . 3.660 2.771 2.562 2.936 . 0 0 "[ . 1 . 2]" 1
1489 1 100 LYS HA 1 100 LYS HD3 . . 3.700 2.767 2.366 2.937 . 0 0 "[ . 1 . 2]" 1
1490 1 93 CYS HB3 1 100 LYS HA . . 5.100 4.742 4.544 4.915 . 0 0 "[ . 1 . 2]" 1
1491 1 100 LYS HA 1 100 LYS QE . . 4.490 4.400 4.179 4.460 . 0 0 "[ . 1 . 2]" 1
1492 1 100 LYS HA 1 101 ILE HG12 . . 4.510 4.244 4.029 4.488 . 0 0 "[ . 1 . 2]" 1
1493 1 100 LYS HA 1 101 ILE HG13 . . 3.690 3.240 3.135 3.312 . 0 0 "[ . 1 . 2]" 1
1494 1 93 CYS HB3 1 100 LYS HB3 . . 4.800 3.264 2.870 3.395 . 0 0 "[ . 1 . 2]" 1
1495 1 100 LYS HB3 1 111 HIS HE1 . . 5.020 4.201 3.719 4.798 . 0 0 "[ . 1 . 2]" 1
1496 1 100 LYS HB2 1 102 PHE HZ . . 4.690 4.387 4.275 4.531 . 0 0 "[ . 1 . 2]" 1
1497 1 100 LYS HB3 1 102 PHE HZ . . 4.690 3.657 3.487 3.977 . 0 0 "[ . 1 . 2]" 1
1498 1 100 LYS HB2 1 102 PHE QE . . 4.590 4.405 4.153 4.592 0.002 6 0 "[ . 1 . 2]" 1
1499 1 100 LYS HB3 1 102 PHE QE . . 4.590 3.158 2.844 3.342 . 0 0 "[ . 1 . 2]" 1
1500 1 100 LYS HB2 1 101 ILE H . . 4.680 3.849 3.791 4.071 . 0 0 "[ . 1 . 2]" 1
1501 1 100 LYS HB2 1 111 HIS HE1 . . 5.020 4.554 4.164 4.936 . 0 0 "[ . 1 . 2]" 1
1502 1 141 HIS HE1 1 144 VAL MG1 . . 3.590 3.573 3.508 3.591 0.001 10 0 "[ . 1 . 2]" 1
1503 1 111 HIS HE1 1 114 THR MG . . 4.810 4.099 3.592 4.843 0.033 19 0 "[ . 1 . 2]" 1
1504 1 100 LYS QG 1 102 PHE HZ . . 4.330 1.984 1.954 2.068 . 0 0 "[ . 1 . 2]" 1
1505 1 100 LYS QG 1 101 ILE H . . 3.650 2.373 2.242 2.801 . 0 0 "[ . 1 . 2]" 1
1506 1 100 LYS QG 1 111 HIS HE1 . . 3.950 3.642 3.187 3.946 . 0 0 "[ . 1 . 2]" 1
1507 1 100 LYS HD2 1 101 ILE H . . 3.770 1.907 1.890 1.991 . 0 0 "[ . 1 . 2]" 1
1508 1 100 LYS HD3 1 101 ILE H . . 4.110 3.258 3.068 3.347 . 0 0 "[ . 1 . 2]" 1
1509 1 100 LYS HD2 1 102 PHE HZ . . 4.890 4.569 4.293 4.858 . 0 0 "[ . 1 . 2]" 1
1510 1 100 LYS HD3 1 102 PHE HZ . . 4.600 4.571 4.403 4.616 0.016 13 0 "[ . 1 . 2]" 1
1511 1 100 LYS HD3 1 102 PHE QE . . 4.780 4.670 4.569 4.741 . 0 0 "[ . 1 . 2]" 1
1512 1 100 LYS QG 1 102 PHE QE . . 4.130 2.210 2.098 2.353 . 0 0 "[ . 1 . 2]" 1
1513 1 100 LYS HD2 1 102 PHE QE . . 4.710 4.258 4.123 4.393 . 0 0 "[ . 1 . 2]" 1
1514 1 100 LYS QG 1 102 PHE QD . . 5.500 3.281 3.054 3.552 . 0 0 "[ . 1 . 2]" 1
1515 1 100 LYS HD2 1 102 PHE QD . . 5.500 4.731 4.619 4.826 . 0 0 "[ . 1 . 2]" 1
1516 1 101 ILE HB 1 102 PHE QD . . 5.500 4.938 4.708 5.094 . 0 0 "[ . 1 . 2]" 1
1517 1 102 PHE QD 1 108 LEU HG . . 5.500 4.873 4.323 5.300 . 0 0 "[ . 1 . 2]" 1
1518 1 100 LYS QE 1 101 ILE H . . 3.830 3.675 3.584 3.838 0.008 13 0 "[ . 1 . 2]" 1
1519 1 100 LYS QE 1 102 PHE QE . . 3.590 2.660 2.387 2.993 . 0 0 "[ . 1 . 2]" 1
1520 1 102 PHE QE 1 111 HIS QB . . 3.880 2.775 2.610 2.930 . 0 0 "[ . 1 . 2]" 1
1521 1 101 ILE H 1 101 ILE MG . . 4.060 3.975 3.945 3.996 . 0 0 "[ . 1 . 2]" 1
1522 1 101 ILE H 1 101 ILE HG13 . . 3.630 2.645 2.480 2.830 . 0 0 "[ . 1 . 2]" 1
1523 1 101 ILE HA 1 101 ILE MG . . 3.130 2.107 2.064 2.241 . 0 0 "[ . 1 . 2]" 1
1524 1 100 LYS QG 1 101 ILE HA . . 5.410 3.314 3.219 3.603 . 0 0 "[ . 1 . 2]" 1
1525 1 101 ILE HA 1 101 ILE HG13 . . 4.160 3.324 3.200 3.422 . 0 0 "[ . 1 . 2]" 1
1526 1 101 ILE HA 1 101 ILE MD . . 4.160 3.891 3.847 3.951 . 0 0 "[ . 1 . 2]" 1
1527 1 101 ILE HB 1 101 ILE MD . . 2.980 2.419 2.279 2.489 . 0 0 "[ . 1 . 2]" 1
1528 1 101 ILE HB 1 102 PHE H . . 4.070 3.616 3.369 3.856 . 0 0 "[ . 1 . 2]" 1
1529 1 101 ILE HB 1 102 PHE HA . . 5.020 4.382 4.257 4.533 . 0 0 "[ . 1 . 2]" 1
1530 1 101 ILE MG 1 102 PHE H . . 3.480 2.066 1.882 2.303 . 0 0 "[ . 1 . 2]" 1
1531 1 102 PHE H 1 102 PHE HB2 . . 4.150 2.870 2.747 2.996 . 0 0 "[ . 1 . 2]" 1
1532 1 102 PHE H 1 108 LEU MD1 . . 4.240 3.918 3.540 4.220 . 0 0 "[ . 1 . 2]" 1
1533 1 102 PHE HA 1 102 PHE QD . . 3.710 3.270 3.203 3.313 . 0 0 "[ . 1 . 2]" 1
1534 1 100 LYS QE 1 102 PHE QD . . 3.660 3.514 3.314 3.664 0.004 20 0 "[ . 1 . 2]" 1
1535 1 102 PHE HZ 1 108 LEU HA . . 5.170 4.415 4.058 4.701 . 0 0 "[ . 1 . 2]" 1
1536 1 100 LYS QE 1 102 PHE HZ . . 4.130 2.914 2.454 3.123 . 0 0 "[ . 1 . 2]" 1
1537 1 102 PHE HZ 1 111 HIS QB . . 4.430 2.950 2.729 3.104 . 0 0 "[ . 1 . 2]" 1
1538 1 102 PHE HZ 1 111 HIS HD2 . . 4.480 3.027 2.710 3.380 . 0 0 "[ . 1 . 2]" 1
1539 1 93 CYS HB2 1 102 PHE QE . . 4.190 2.478 2.168 2.723 . 0 0 "[ . 1 . 2]" 1
1540 1 102 PHE QE 1 108 LEU HA . . 4.500 3.641 3.251 3.942 . 0 0 "[ . 1 . 2]" 1
1541 1 102 PHE QE 1 108 LEU MD1 . . 3.540 2.413 2.008 2.793 . 0 0 "[ . 1 . 2]" 1
1542 1 102 PHE QE 1 111 HIS HD2 . . 3.940 2.744 2.320 3.030 . 0 0 "[ . 1 . 2]" 1
1543 1 101 ILE H 1 102 PHE QE . . 5.020 4.261 4.067 4.426 . 0 0 "[ . 1 . 2]" 1
1544 1 102 PHE QE 1 111 HIS HE1 . . 5.500 4.542 4.251 4.959 . 0 0 "[ . 1 . 2]" 1
1545 1 102 PHE QD 1 108 LEU HA . . 4.120 3.362 2.857 3.719 . 0 0 "[ . 1 . 2]" 1
1546 1 102 PHE QD 1 108 LEU MD1 . . 3.330 2.281 1.979 2.671 . 0 0 "[ . 1 . 2]" 1
1547 1 102 PHE QD 1 111 HIS HD2 . . 4.800 4.492 4.219 4.791 . 0 0 "[ . 1 . 2]" 1
1548 1 104 ARG HB2 1 104 ARG QD . . 3.590 2.572 2.119 3.300 . 0 0 "[ . 1 . 2]" 1
1549 1 104 ARG HB3 1 104 ARG QD . . 3.590 2.685 2.079 3.469 . 0 0 "[ . 1 . 2]" 1
1550 1 105 SER HA 1 108 LEU H . . 4.540 3.499 3.302 3.637 . 0 0 "[ . 1 . 2]" 1
1551 1 105 SER HA 1 108 LEU HB2 . . 4.220 3.800 3.386 4.209 . 0 0 "[ . 1 . 2]" 1
1552 1 105 SER HA 1 108 LEU MD2 . . 4.230 3.981 3.646 4.235 0.005 18 0 "[ . 1 . 2]" 1
1553 1 106 GLU HA 1 109 LYS QD . . 3.930 2.890 1.985 3.935 0.005 20 0 "[ . 1 . 2]" 1
1554 1 106 GLU HA 1 106 GLU QG . . 3.570 2.675 2.307 3.337 . 0 0 "[ . 1 . 2]" 1
1555 1 106 GLU HA 1 109 LYS QB . . 3.520 3.207 2.669 3.520 . 0 0 "[ . 1 . 2]" 1
1556 1 106 GLU HA 1 109 LYS HG2 . . 4.660 2.996 2.094 4.663 0.003 6 0 "[ . 1 . 2]" 1
1557 1 106 GLU HA 1 109 LYS HG3 . . 4.660 3.562 2.803 4.400 . 0 0 "[ . 1 . 2]" 1
1558 1 106 GLU QG 1 110 ILE MD . . 3.810 2.258 1.671 3.698 . 0 0 "[ . 1 . 2]" 1
1559 1 107 ASN HA 1 107 ASN HD21 . . 4.900 3.473 2.085 4.396 . 0 0 "[ . 1 . 2]" 1
1560 1 107 ASN HA 1 107 ASN HD22 . . 4.900 4.031 3.368 4.586 . 0 0 "[ . 1 . 2]" 1
1561 1 107 ASN HA 1 110 ILE HB . . 3.670 2.896 2.716 2.989 . 0 0 "[ . 1 . 2]" 1
1562 1 107 ASN HA 1 110 ILE HG12 . . 5.490 5.439 5.086 5.493 0.003 9 0 "[ . 1 . 2]" 1
1563 1 107 ASN HA 1 110 ILE HG13 . . 4.570 4.408 4.010 4.570 . 0 0 "[ . 1 . 2]" 1
1564 1 107 ASN HA 1 110 ILE MD . . 3.450 3.054 2.536 3.275 . 0 0 "[ . 1 . 2]" 1
1565 1 107 ASN HB2 1 108 LEU HA . . 5.070 4.651 4.501 4.790 . 0 0 "[ . 1 . 2]" 1
1566 1 107 ASN HB3 1 108 LEU HA . . 5.070 4.112 4.001 4.333 . 0 0 "[ . 1 . 2]" 1
1567 1 108 LEU HA 1 108 LEU HG . . 4.010 3.371 3.246 3.483 . 0 0 "[ . 1 . 2]" 1
1568 1 108 LEU HA 1 108 LEU MD1 . . 3.100 1.971 1.877 2.130 . 0 0 "[ . 1 . 2]" 1
1569 1 108 LEU HA 1 108 LEU MD2 . . 3.910 3.715 3.575 3.893 . 0 0 "[ . 1 . 2]" 1
1570 1 108 LEU HA 1 111 HIS QB . . 3.360 2.427 2.213 2.687 . 0 0 "[ . 1 . 2]" 1
1571 1 108 LEU HA 1 111 HIS HD2 . . 4.340 3.556 3.139 3.910 . 0 0 "[ . 1 . 2]" 1
1572 1 108 LEU HB2 1 108 LEU MD1 . . 3.330 2.547 2.433 2.677 . 0 0 "[ . 1 . 2]" 1
1573 1 108 LEU HB3 1 108 LEU MD1 . . 3.330 3.165 3.120 3.193 . 0 0 "[ . 1 . 2]" 1
1574 1 108 LEU HB2 1 108 LEU MD2 . . 3.430 2.222 2.041 2.425 . 0 0 "[ . 1 . 2]" 1
1575 1 108 LEU HB3 1 108 LEU MD2 . . 3.430 2.489 2.253 2.603 . 0 0 "[ . 1 . 2]" 1
1576 1 108 LEU HG 1 112 LYS HG3 . . 4.010 3.457 3.086 3.950 . 0 0 "[ . 1 . 2]" 1
1577 1 108 LEU HG 1 112 LYS HG2 . . 4.790 4.290 4.001 4.712 . 0 0 "[ . 1 . 2]" 1
1578 1 108 LEU HG 1 112 LYS HD2 . . 3.930 2.139 1.999 2.748 . 0 0 "[ . 1 . 2]" 1
1579 1 108 LEU HG 1 112 LYS HD3 . . 3.930 2.200 1.999 2.660 . 0 0 "[ . 1 . 2]" 1
1580 1 108 LEU MD1 1 111 HIS HD2 . . 3.160 2.364 1.909 2.612 . 0 0 "[ . 1 . 2]" 1
1581 1 108 LEU MD1 1 112 LYS HG3 . . 3.470 2.209 1.966 2.504 . 0 0 "[ . 1 . 2]" 1
1582 1 108 LEU MD1 1 112 LYS HG2 . . 3.860 3.319 3.024 3.707 . 0 0 "[ . 1 . 2]" 1
1583 1 108 LEU HG 1 109 LYS HA . . 4.180 3.771 3.300 4.115 . 0 0 "[ . 1 . 2]" 1
1584 1 109 LYS HA 1 109 LYS HG2 . . 3.840 3.418 2.469 3.841 0.001 9 0 "[ . 1 . 2]" 1
1585 1 109 LYS HA 1 109 LYS HG3 . . 3.840 3.541 2.904 3.833 . 0 0 "[ . 1 . 2]" 1
1586 1 109 LYS HA 1 112 LYS HB2 . . 3.550 2.663 2.364 2.902 . 0 0 "[ . 1 . 2]" 1
1587 1 109 LYS HA 1 112 LYS HE2 . . 4.840 3.923 2.749 4.833 . 0 0 "[ . 1 . 2]" 1
1588 1 109 LYS HA 1 112 LYS HE3 . . 4.840 4.195 3.066 4.844 0.004 18 0 "[ . 1 . 2]" 1
1589 1 109 LYS QB 1 109 LYS QD . . 3.070 2.328 2.025 2.766 . 0 0 "[ . 1 . 2]" 1
1590 1 109 LYS QB 1 109 LYS QE . . 3.660 2.453 1.821 3.527 . 0 0 "[ . 1 . 2]" 1
1591 1 109 LYS QB 1 110 ILE H . . 3.440 3.007 2.344 3.436 . 0 0 "[ . 1 . 2]" 1
1592 1 109 LYS QE 1 109 LYS HG2 . . 3.700 2.823 2.140 3.416 . 0 0 "[ . 1 . 2]" 1
1593 1 109 LYS QE 1 109 LYS HG3 . . 3.700 2.760 2.132 3.529 . 0 0 "[ . 1 . 2]" 1
1594 1 109 LYS HG2 1 110 ILE H . . 5.050 3.009 1.900 4.953 . 0 0 "[ . 1 . 2]" 1
1595 1 109 LYS HG3 1 110 ILE H . . 5.050 3.249 2.291 4.814 . 0 0 "[ . 1 . 2]" 1
1596 1 110 ILE H 1 110 ILE MD . . 3.660 3.507 3.331 3.663 0.003 19 0 "[ . 1 . 2]" 1
1597 1 110 ILE HA 1 110 ILE MG . . 3.150 2.427 2.376 2.510 . 0 0 "[ . 1 . 2]" 1
1598 1 110 ILE HA 1 110 ILE HG12 . . 3.480 2.581 2.464 2.702 . 0 0 "[ . 1 . 2]" 1
1599 1 110 ILE HA 1 110 ILE HG13 . . 3.620 2.770 2.675 2.851 . 0 0 "[ . 1 . 2]" 1
1600 1 110 ILE HA 1 110 ILE MD . . 4.050 3.829 3.794 3.852 . 0 0 "[ . 1 . 2]" 1
1601 1 110 ILE HA 1 111 HIS HA . . 4.720 4.702 4.690 4.724 0.004 20 0 "[ . 1 . 2]" 1
1602 1 110 ILE HA 1 113 ARG H . . 4.790 3.649 3.483 3.924 . 0 0 "[ . 1 . 2]" 1
1603 1 110 ILE HA 1 113 ARG QD . . 3.450 2.333 2.008 2.566 . 0 0 "[ . 1 . 2]" 1
1604 1 110 ILE HB 1 110 ILE MD . . 2.970 2.290 2.146 2.387 . 0 0 "[ . 1 . 2]" 1
1605 1 110 ILE HB 1 111 HIS HA . . 4.570 4.475 4.439 4.537 . 0 0 "[ . 1 . 2]" 1
1606 1 110 ILE HB 1 111 HIS QB . . 4.680 4.163 4.081 4.278 . 0 0 "[ . 1 . 2]" 1
1607 1 110 ILE HG12 1 110 ILE MG . . 3.060 2.312 2.232 2.415 . 0 0 "[ . 1 . 2]" 1
1608 1 110 ILE HG12 1 111 HIS H . . 5.370 5.177 5.114 5.252 . 0 0 "[ . 1 . 2]" 1
1609 1 110 ILE HG13 1 111 HIS H . . 4.750 4.458 4.397 4.555 . 0 0 "[ . 1 . 2]" 1
1610 1 110 ILE HG13 1 113 ARG QD . . 4.460 4.266 3.693 4.460 . 0 0 "[ . 1 . 2]" 1
1611 1 110 ILE HG12 1 113 ARG QD . . 4.290 3.251 2.765 3.543 . 0 0 "[ . 1 . 2]" 1
1612 1 111 HIS H 1 111 HIS HD2 . . 5.500 4.573 4.344 4.928 . 0 0 "[ . 1 . 2]" 1
1613 1 81 HIS HA 1 81 HIS HD2 . . 5.030 4.721 4.535 4.820 . 0 0 "[ . 1 . 2]" 1
1614 1 81 HIS HA 1 83 ARG H . . 4.320 3.731 3.622 4.028 . 0 0 "[ . 1 . 2]" 1
1615 1 111 HIS HA 1 113 ARG H . . 4.780 4.116 3.853 4.393 . 0 0 "[ . 1 . 2]" 1
1616 1 111 HIS HA 1 114 THR HB . . 4.660 3.560 3.274 4.134 . 0 0 "[ . 1 . 2]" 1
1617 1 111 HIS HA 1 114 THR MG . . 3.380 2.042 1.853 2.281 . 0 0 "[ . 1 . 2]" 1
1618 1 111 HIS QB 1 111 HIS HD2 . . 3.530 2.698 2.643 2.774 . 0 0 "[ . 1 . 2]" 1
1619 1 111 HIS HD2 1 112 LYS H . . 4.430 3.748 2.597 4.413 . 0 0 "[ . 1 . 2]" 1
1620 1 111 HIS HD2 1 112 LYS HA . . 4.090 3.586 2.962 4.076 . 0 0 "[ . 1 . 2]" 1
1621 1 111 HIS HD2 1 112 LYS HG3 . . 4.420 2.818 2.093 3.353 . 0 0 "[ . 1 . 2]" 1
1622 1 111 HIS HD2 1 112 LYS HG2 . . 4.730 4.249 3.602 4.656 . 0 0 "[ . 1 . 2]" 1
1623 1 111 HIS HD2 1 115 HIS HD2 . . 4.280 3.634 2.888 4.234 . 0 0 "[ . 1 . 2]" 1
1624 1 112 LYS H 1 112 LYS HB3 . . 3.760 3.539 3.452 3.594 . 0 0 "[ . 1 . 2]" 1
1625 1 112 LYS H 1 112 LYS HG2 . . 4.500 4.108 3.814 4.357 . 0 0 "[ . 1 . 2]" 1
1626 1 112 LYS HA 1 112 LYS HG3 . . 3.530 2.494 2.291 2.573 . 0 0 "[ . 1 . 2]" 1
1627 1 112 LYS HA 1 112 LYS HG2 . . 4.000 2.802 2.717 2.919 . 0 0 "[ . 1 . 2]" 1
1628 1 112 LYS HA 1 112 LYS HD2 . . 4.900 4.709 4.560 4.779 . 0 0 "[ . 1 . 2]" 1
1629 1 112 LYS HA 1 112 LYS HD3 . . 4.900 4.400 4.225 4.468 . 0 0 "[ . 1 . 2]" 1
1630 1 111 HIS QB 1 112 LYS HA . . 4.930 4.459 4.308 4.550 . 0 0 "[ . 1 . 2]" 1
1631 1 112 LYS HA 1 115 HIS HD2 . . 3.290 2.169 1.992 2.440 . 0 0 "[ . 1 . 2]" 1
1632 1 108 LEU MD2 1 112 LYS HD2 . . 4.240 3.040 2.641 3.342 . 0 0 "[ . 1 . 2]" 1
1633 1 108 LEU MD1 1 112 LYS HD2 . . 4.030 2.383 1.865 2.741 . 0 0 "[ . 1 . 2]" 1
1634 1 108 LEU MD2 1 112 LYS HD3 . . 4.240 3.794 3.508 4.242 0.002 10 0 "[ . 1 . 2]" 1
1635 1 108 LEU MD1 1 112 LYS HD3 . . 4.030 2.770 1.988 3.273 . 0 0 "[ . 1 . 2]" 1
1636 1 112 LYS HB2 1 112 LYS HE3 . . 4.020 3.712 2.331 4.022 0.002 10 0 "[ . 1 . 2]" 1
1637 1 112 LYS HB3 1 112 LYS HE2 . . 4.060 2.586 2.091 3.792 . 0 0 "[ . 1 . 2]" 1
1638 1 112 LYS HB3 1 112 LYS HE3 . . 4.060 3.541 2.172 4.058 . 0 0 "[ . 1 . 2]" 1
1639 1 112 LYS HB3 1 113 ARG H . . 4.270 3.611 3.458 3.777 . 0 0 "[ . 1 . 2]" 1
1640 1 111 HIS QB 1 112 LYS HG3 . . 4.500 3.995 3.589 4.506 0.006 9 0 "[ . 1 . 2]" 1
1641 1 112 LYS HE2 1 112 LYS HG2 . . 4.120 2.692 2.285 3.776 . 0 0 "[ . 1 . 2]" 1
1642 1 112 LYS HE3 1 112 LYS HG2 . . 4.120 3.121 2.223 3.634 . 0 0 "[ . 1 . 2]" 1
1643 1 112 LYS HG3 1 115 HIS HD2 . . 4.190 3.605 3.250 3.901 . 0 0 "[ . 1 . 2]" 1
1644 1 112 LYS HB2 1 115 HIS HD2 . . 5.500 5.009 4.665 5.283 . 0 0 "[ . 1 . 2]" 1
1645 1 113 ARG H 1 113 ARG HB2 . . 3.670 3.594 3.567 3.635 . 0 0 "[ . 1 . 2]" 1
1646 1 113 ARG H 1 113 ARG HB3 . . 3.890 2.744 2.466 2.836 . 0 0 "[ . 1 . 2]" 1
1647 1 113 ARG HA 1 113 ARG HG2 . . 3.930 3.754 3.703 3.871 . 0 0 "[ . 1 . 2]" 1
1648 1 113 ARG HA 1 113 ARG HG3 . . 3.930 3.734 3.655 3.793 . 0 0 "[ . 1 . 2]" 1
1649 1 113 ARG HB2 1 113 ARG QD . . 3.520 2.498 2.261 2.861 . 0 0 "[ . 1 . 2]" 1
1650 1 113 ARG HB3 1 113 ARG QD . . 2.980 2.582 2.323 2.892 . 0 0 "[ . 1 . 2]" 1
1651 1 113 ARG HB2 1 114 THR H . . 4.880 3.881 3.631 4.246 . 0 0 "[ . 1 . 2]" 1
1652 1 110 ILE MG 1 113 ARG QD . . 3.650 2.567 2.046 3.652 0.002 20 0 "[ . 1 . 2]" 1
1653 1 113 ARG HB2 1 114 THR HA . . 4.880 4.501 4.321 4.861 . 0 0 "[ . 1 . 2]" 1
1654 1 114 THR H 1 114 THR MG . . 3.210 2.373 1.863 2.499 . 0 0 "[ . 1 . 2]" 1
1655 1 114 THR HA 1 114 THR MG . . 3.260 3.178 3.156 3.199 . 0 0 "[ . 1 . 2]" 1
1656 1 114 THR HA 1 116 THR H . . 5.180 4.153 3.227 5.194 0.014 8 0 "[ . 1 . 2]" 1
1657 1 114 THR MG 1 115 HIS HA . . 4.800 3.311 2.916 3.607 . 0 0 "[ . 1 . 2]" 1
1658 1 115 HIS H 1 115 HIS HD2 . . 4.070 4.004 3.739 4.083 0.013 11 0 "[ . 1 . 2]" 1
1659 1 94 PRO HD2 1 115 HIS HD2 . . 5.040 4.297 3.866 4.650 . 0 0 "[ . 1 . 2]" 1
1660 1 98 CYS HA 1 115 HIS HE1 . . 5.430 4.353 3.857 5.092 . 0 0 "[ . 1 . 2]" 1
1661 1 115 HIS HA 1 115 HIS HE1 . . 5.500 4.776 4.397 5.563 0.063 7 0 "[ . 1 . 2]" 1
1662 1 115 HIS HB2 1 115 HIS HD2 . . 3.920 3.010 2.694 3.868 . 0 0 "[ . 1 . 2]" 1
1663 1 115 HIS HB3 1 115 HIS HD2 . . 3.920 3.374 2.726 3.974 0.054 19 0 "[ . 1 . 2]" 1
1664 1 116 THR H 1 116 THR MG . . 4.260 3.059 1.874 3.983 . 0 0 "[ . 1 . 2]" 1
1665 1 116 THR HA 1 116 THR MG . . 3.190 2.809 2.102 3.206 0.016 13 0 "[ . 1 . 2]" 1
1666 1 118 GLU HA 1 118 GLU HG3 . . 3.810 3.158 2.369 3.772 . 0 0 "[ . 1 . 2]" 1
1667 1 118 GLU HA 1 118 GLU HG2 . . 3.810 3.197 2.175 3.815 0.005 15 0 "[ . 1 . 2]" 1
1668 1 118 GLU HA 1 119 LYS HA . . 4.410 4.362 4.339 4.397 . 0 0 "[ . 1 . 2]" 1
1669 1 119 LYS HA 1 119 LYS HD2 . . 4.570 3.207 2.004 4.550 . 0 0 "[ . 1 . 2]" 1
1670 1 119 LYS HA 1 119 LYS HD3 . . 4.570 3.325 2.003 4.610 0.040 20 0 "[ . 1 . 2]" 1
1671 1 120 PRO HG3 1 133 ALA HA . . 4.220 3.007 2.443 3.535 . 0 0 "[ . 1 . 2]" 1
1672 1 119 LYS HA 1 120 PRO HD3 . . 3.180 2.281 2.260 2.349 . 0 0 "[ . 1 . 2]" 1
1673 1 119 LYS HA 1 120 PRO HD2 . . 3.100 2.309 2.028 2.506 . 0 0 "[ . 1 . 2]" 1
1674 1 89 LYS HB2 1 89 LYS QE . . 4.740 3.301 1.983 3.857 . 0 0 "[ . 1 . 2]" 1
1675 1 119 LYS QE 1 119 LYS HG3 . . 3.420 2.715 2.226 3.305 . 0 0 "[ . 1 . 2]" 1
1676 1 119 LYS QE 1 119 LYS HG2 . . 3.420 2.618 2.150 3.396 . 0 0 "[ . 1 . 2]" 1
1677 1 121 PHE HA 1 121 PHE QD . . 3.840 2.941 2.656 3.131 . 0 0 "[ . 1 . 2]" 1
1678 1 121 PHE HB2 1 122 LYS HA . . 5.140 4.959 4.798 5.122 . 0 0 "[ . 1 . 2]" 1
1679 1 121 PHE HB3 1 122 LYS HA . . 4.690 4.594 4.434 4.688 . 0 0 "[ . 1 . 2]" 1
1680 1 121 PHE HB3 1 132 PHE HB3 . . 4.430 3.944 3.467 4.430 0.000 20 0 "[ . 1 . 2]" 1
1681 1 121 PHE HB2 1 132 PHE HB3 . . 4.170 3.408 3.075 3.611 . 0 0 "[ . 1 . 2]" 1
1682 1 121 PHE HB2 1 132 PHE HB2 . . 4.010 2.215 2.003 2.465 . 0 0 "[ . 1 . 2]" 1
1683 1 121 PHE HB3 1 132 PHE HB2 . . 4.230 2.496 2.042 3.033 . 0 0 "[ . 1 . 2]" 1
1684 1 121 PHE HB2 1 135 SER HA . . 4.970 4.646 4.345 4.971 0.001 20 0 "[ . 1 . 2]" 1
1685 1 121 PHE HB3 1 135 SER HA . . 4.640 3.759 3.316 4.427 . 0 0 "[ . 1 . 2]" 1
1686 1 120 PRO HB2 1 121 PHE HB2 . . 5.290 4.564 4.281 4.792 . 0 0 "[ . 1 . 2]" 1
1687 1 121 PHE HB3 1 138 ARG HB2 . . 4.780 2.807 2.382 3.504 . 0 0 "[ . 1 . 2]" 1
1688 1 121 PHE HB3 1 138 ARG HB3 . . 4.780 3.511 3.031 4.258 . 0 0 "[ . 1 . 2]" 1
1689 1 121 PHE HB2 1 138 ARG HB2 . . 4.860 3.970 3.680 4.546 . 0 0 "[ . 1 . 2]" 1
1690 1 121 PHE HB2 1 138 ARG HB3 . . 4.860 4.719 4.524 4.864 0.004 1 0 "[ . 1 . 2]" 1
1691 1 121 PHE HB2 1 138 ARG HD3 . . 4.950 4.558 3.947 4.952 0.002 1 0 "[ . 1 . 2]" 1
1692 1 121 PHE HB3 1 138 ARG HD2 . . 4.730 4.568 4.226 4.728 . 0 0 "[ . 1 . 2]" 1
1693 1 121 PHE HZ 1 134 ASN HA . . 5.130 4.085 3.395 4.610 . 0 0 "[ . 1 . 2]" 1
1694 1 121 PHE QE 1 134 ASN HA . . 4.020 3.187 2.330 4.008 . 0 0 "[ . 1 . 2]" 1
1695 1 121 PHE QE 1 135 SER HA . . 4.880 3.308 2.611 4.204 . 0 0 "[ . 1 . 2]" 1
1696 1 121 PHE QD 1 135 SER HA . . 4.600 2.775 2.232 3.694 . 0 0 "[ . 1 . 2]" 1
1697 1 122 LYS H 1 122 LYS HG3 . . 5.090 4.629 4.419 4.855 . 0 0 "[ . 1 . 2]" 1
1698 1 122 LYS HA 1 122 LYS HG2 . . 3.710 3.199 2.734 3.709 . 0 0 "[ . 1 . 2]" 1
1699 1 122 LYS HA 1 122 LYS HG3 . . 3.710 2.694 2.326 3.472 . 0 0 "[ . 1 . 2]" 1
1700 1 122 LYS HA 1 123 CYS HA . . 4.370 4.327 4.318 4.346 . 0 0 "[ . 1 . 2]" 1
1701 1 122 LYS HA 1 131 ARG HA . . 3.810 2.961 2.621 3.402 . 0 0 "[ . 1 . 2]" 1
1702 1 122 LYS HB2 1 122 LYS QE . . 4.420 3.195 2.051 4.155 . 0 0 "[ . 1 . 2]" 1
1703 1 122 LYS HB3 1 122 LYS QE . . 4.420 2.893 2.003 4.242 . 0 0 "[ . 1 . 2]" 1
1704 1 122 LYS HB2 1 123 CYS H . . 4.660 4.078 3.563 4.366 . 0 0 "[ . 1 . 2]" 1
1705 1 123 CYS H 1 131 ARG HA . . 4.500 3.969 3.596 4.393 . 0 0 "[ . 1 . 2]" 1
1706 1 123 CYS HA 1 124 GLU HG2 . . 4.700 4.130 3.775 4.645 . 0 0 "[ . 1 . 2]" 1
1707 1 123 CYS HA 1 124 GLU HG3 . . 4.700 4.144 3.753 4.698 . 0 0 "[ . 1 . 2]" 1
1708 1 123 CYS HA 1 138 ARG HG3 . . 4.110 3.078 2.824 3.653 . 0 0 "[ . 1 . 2]" 1
1709 1 123 CYS HA 1 138 ARG HG2 . . 5.140 4.591 4.244 5.117 . 0 0 "[ . 1 . 2]" 1
1710 1 123 CYS HA 1 138 ARG HD2 . . 4.010 2.962 2.000 3.767 . 0 0 "[ . 1 . 2]" 1
1711 1 123 CYS HA 1 138 ARG HD3 . . 3.570 3.246 2.567 3.568 . 0 0 "[ . 1 . 2]" 1
1712 1 123 CYS HA 1 141 HIS HD2 . . 4.750 3.997 3.677 4.256 . 0 0 "[ . 1 . 2]" 1
1713 1 123 CYS HA 1 142 MET ME . . 4.420 2.980 2.732 3.729 . 0 0 "[ . 1 . 2]" 1
1714 1 123 CYS HB3 1 128 CYS HB2 . . 4.720 4.618 4.447 4.721 0.001 4 0 "[ . 1 . 2]" 1
1715 1 123 CYS HB2 1 130 ARG H . . 4.700 4.031 3.848 4.190 . 0 0 "[ . 1 . 2]" 1
1716 1 123 CYS HB3 1 130 ARG H . . 4.690 3.494 3.182 3.787 . 0 0 "[ . 1 . 2]" 1
1717 1 123 CYS HB2 1 130 ARG HG3 . . 4.280 2.902 2.361 3.526 . 0 0 "[ . 1 . 2]" 1
1718 1 123 CYS HB2 1 130 ARG HB3 . . 4.830 3.546 3.415 3.657 . 0 0 "[ . 1 . 2]" 1
1719 1 123 CYS HB3 1 130 ARG HG3 . . 4.320 3.841 3.385 4.320 . 0 0 "[ . 1 . 2]" 1
1720 1 123 CYS HB3 1 130 ARG HB3 . . 5.110 4.690 4.461 4.994 . 0 0 "[ . 1 . 2]" 1
1721 1 124 GLU H 1 124 GLU HB2 . . 4.100 3.067 2.469 3.597 . 0 0 "[ . 1 . 2]" 1
1722 1 124 GLU H 1 142 MET ME . . 4.300 3.141 2.913 3.442 . 0 0 "[ . 1 . 2]" 1
1723 1 124 GLU HA 1 124 GLU HG2 . . 3.840 3.089 2.400 3.840 0.000 1 0 "[ . 1 . 2]" 1
1724 1 124 GLU HA 1 124 GLU HG3 . . 3.840 3.597 3.402 3.718 . 0 0 "[ . 1 . 2]" 1
1725 1 124 GLU HB2 1 125 PHE H . . 4.890 3.686 3.129 4.188 . 0 0 "[ . 1 . 2]" 1
1726 1 125 PHE HA 1 125 PHE QD . . 3.590 2.882 2.811 2.980 . 0 0 "[ . 1 . 2]" 1
1727 1 125 PHE HB3 1 141 HIS HD2 . . 5.500 4.800 4.460 5.085 . 0 0 "[ . 1 . 2]" 1
1728 1 125 PHE QD 1 128 CYS HB2 . . 3.860 2.274 2.068 2.588 . 0 0 "[ . 1 . 2]" 1
1729 1 125 PHE HB2 1 128 CYS HB3 . . 4.170 4.012 3.787 4.161 . 0 0 "[ . 1 . 2]" 1
1730 1 125 PHE HB2 1 128 CYS HB2 . . 4.090 4.000 3.899 4.089 . 0 0 "[ . 1 . 2]" 1
1731 1 125 PHE HB3 1 128 CYS HB3 . . 3.830 2.522 2.280 2.652 . 0 0 "[ . 1 . 2]" 1
1732 1 125 PHE HB3 1 128 CYS HB2 . . 3.920 2.278 2.173 2.356 . 0 0 "[ . 1 . 2]" 1
1733 1 141 HIS H 1 142 MET QB . . 4.920 4.691 4.618 4.825 . 0 0 "[ . 1 . 2]" 1
1734 1 141 HIS HD2 1 142 MET HG2 . . 4.980 4.184 3.944 4.368 . 0 0 "[ . 1 . 2]" 1
1735 1 141 HIS H 1 142 MET HG3 . . 4.610 4.555 3.700 4.618 0.008 20 0 "[ . 1 . 2]" 1
1736 1 141 HIS HD2 1 142 MET ME . . 3.980 2.044 1.894 3.734 . 0 0 "[ . 1 . 2]" 1
1737 1 125 PHE QE 1 145 HIS HB3 . . 4.430 2.407 2.031 2.967 . 0 0 "[ . 1 . 2]" 1
1738 1 141 HIS HD2 1 142 MET HA . . 4.110 4.035 3.845 4.109 . 0 0 "[ . 1 . 2]" 1
1739 1 125 PHE QE 1 142 MET ME . . 5.230 5.137 5.003 5.213 . 0 0 "[ . 1 . 2]" 1
1740 1 141 HIS HD2 1 145 HIS HD2 . . 4.430 2.790 2.559 2.955 . 0 0 "[ . 1 . 2]" 1
1741 1 125 PHE QD 1 142 MET ME . . 3.680 3.450 3.281 3.548 . 0 0 "[ . 1 . 2]" 1
1742 1 125 PHE QD 1 145 HIS HB3 . . 4.340 3.197 2.922 3.609 . 0 0 "[ . 1 . 2]" 1
1743 1 125 PHE QD 1 145 HIS HD2 . . 4.580 3.780 3.445 4.063 . 0 0 "[ . 1 . 2]" 1
1744 1 126 GLU H 1 126 GLU QG . . 3.940 3.827 3.180 3.940 0.000 4 0 "[ . 1 . 2]" 1
1745 1 126 GLU HA 1 126 GLU QG . . 3.390 2.779 2.255 3.397 0.007 11 0 "[ . 1 . 2]" 1
1746 1 125 PHE HA 1 126 GLU HA . . 4.860 4.368 4.335 4.406 . 0 0 "[ . 1 . 2]" 1
1747 1 126 GLU HB2 1 127 GLY H . . 4.720 3.816 3.066 4.264 . 0 0 "[ . 1 . 2]" 1
1748 1 128 CYS HA 1 129 ASP HA . . 4.420 4.407 4.394 4.418 . 0 0 "[ . 1 . 2]" 1
1749 1 130 ARG H 1 130 ARG HG3 . . 4.480 4.335 4.183 4.454 . 0 0 "[ . 1 . 2]" 1
1750 1 130 ARG H 1 130 ARG QD . . 4.150 4.079 3.833 4.147 . 0 0 "[ . 1 . 2]" 1
1751 1 130 ARG HA 1 130 ARG HG2 . . 3.470 3.074 2.994 3.175 . 0 0 "[ . 1 . 2]" 1
1752 1 130 ARG HA 1 130 ARG HG3 . . 3.880 3.833 3.790 3.883 0.003 14 0 "[ . 1 . 2]" 1
1753 1 130 ARG HA 1 130 ARG QD . . 3.130 2.096 1.985 2.283 . 0 0 "[ . 1 . 2]" 1
1754 1 130 ARG HB2 1 130 ARG QD . . 3.910 3.327 3.268 3.503 . 0 0 "[ . 1 . 2]" 1
1755 1 130 ARG HB3 1 130 ARG QD . . 3.500 2.438 2.304 2.842 . 0 0 "[ . 1 . 2]" 1
1756 1 130 ARG HB3 1 131 ARG H . . 4.050 2.152 1.998 2.460 . 0 0 "[ . 1 . 2]" 1
1757 1 130 ARG HB2 1 132 PHE HZ . . 4.460 3.248 2.315 3.874 . 0 0 "[ . 1 . 2]" 1
1758 1 130 ARG HB3 1 132 PHE HZ . . 4.130 2.872 2.285 3.535 . 0 0 "[ . 1 . 2]" 1
1759 1 130 ARG HB3 1 132 PHE QE . . 4.380 3.185 2.638 3.707 . 0 0 "[ . 1 . 2]" 1
1760 1 130 ARG HB2 1 132 PHE QE . . 4.460 2.727 2.110 3.257 . 0 0 "[ . 1 . 2]" 1
1761 1 130 ARG HG3 1 132 PHE HZ . . 4.230 3.093 2.544 3.595 . 0 0 "[ . 1 . 2]" 1
1762 1 130 ARG HG2 1 141 HIS HE1 . . 4.500 4.278 3.966 4.501 0.001 19 0 "[ . 1 . 2]" 1
1763 1 130 ARG HG3 1 141 HIS HE1 . . 3.840 3.190 2.891 3.617 . 0 0 "[ . 1 . 2]" 1
1764 1 131 ARG H 1 131 ARG HB3 . . 4.160 3.668 2.987 3.990 . 0 0 "[ . 1 . 2]" 1
1765 1 131 ARG HA 1 131 ARG HG2 . . 4.180 3.477 2.619 4.229 0.049 19 0 "[ . 1 . 2]" 1
1766 1 131 ARG HA 1 131 ARG HG3 . . 4.180 3.689 3.189 4.226 0.046 7 0 "[ . 1 . 2]" 1
1767 1 131 ARG HB2 1 131 ARG QD . . 3.260 2.561 2.089 3.255 . 0 0 "[ . 1 . 2]" 1
1768 1 131 ARG HB3 1 131 ARG QD . . 3.260 2.536 2.018 3.258 . 0 0 "[ . 1 . 2]" 1
1769 1 132 PHE HA 1 132 PHE QD . . 4.160 2.688 2.473 2.866 . 0 0 "[ . 1 . 2]" 1
1770 1 132 PHE HA 1 137 ASP HB2 . . 5.500 4.808 4.240 5.256 . 0 0 "[ . 1 . 2]" 1
1771 1 134 ASN HA 1 137 ASP HB2 . . 5.500 5.210 4.522 5.499 . 0 0 "[ . 1 . 2]" 1
1772 1 132 PHE HA 1 137 ASP HB3 . . 4.300 4.029 3.559 4.258 . 0 0 "[ . 1 . 2]" 1
1773 1 132 PHE HB3 1 137 ASP HB2 . . 4.150 3.238 2.357 4.151 0.001 20 0 "[ . 1 . 2]" 1
1774 1 132 PHE HB3 1 137 ASP HB3 . . 4.170 2.480 2.021 3.245 . 0 0 "[ . 1 . 2]" 1
1775 1 132 PHE HB3 1 138 ARG HA . . 4.810 3.905 3.484 4.299 . 0 0 "[ . 1 . 2]" 1
1776 1 132 PHE HB2 1 138 ARG HA . . 4.270 3.920 3.727 4.234 . 0 0 "[ . 1 . 2]" 1
1777 1 132 PHE HB3 1 138 ARG HB2 . . 5.060 3.562 2.885 4.197 . 0 0 "[ . 1 . 2]" 1
1778 1 132 PHE HB3 1 138 ARG HB3 . . 5.060 4.334 3.764 4.953 . 0 0 "[ . 1 . 2]" 1
1779 1 132 PHE HZ 1 141 HIS QB . . 4.040 2.344 1.931 2.882 . 0 0 "[ . 1 . 2]" 1
1780 1 132 PHE HZ 1 141 HIS HD2 . . 4.530 3.354 2.681 4.006 . 0 0 "[ . 1 . 2]" 1
1781 1 132 PHE QE 1 138 ARG HA . . 4.970 3.127 2.717 3.322 . 0 0 "[ . 1 . 2]" 1
1782 1 132 PHE QE 1 138 ARG HG3 . . 4.930 3.701 3.247 4.059 . 0 0 "[ . 1 . 2]" 1
1783 1 132 PHE QE 1 141 HIS QB . . 3.650 2.680 2.309 2.958 . 0 0 "[ . 1 . 2]" 1
1784 1 132 PHE QE 1 141 HIS HD2 . . 4.320 3.584 3.295 3.971 . 0 0 "[ . 1 . 2]" 1
1785 1 132 PHE QD 1 138 ARG HA . . 4.380 3.049 2.640 3.236 . 0 0 "[ . 1 . 2]" 1
1786 1 132 PHE QD 1 138 ARG HB3 . . 4.440 4.040 3.706 4.324 . 0 0 "[ . 1 . 2]" 1
1787 1 132 PHE QD 1 138 ARG HB2 . . 4.440 2.385 2.007 2.811 . 0 0 "[ . 1 . 2]" 1
1788 1 132 PHE QD 1 138 ARG HG3 . . 4.620 3.861 3.298 4.248 . 0 0 "[ . 1 . 2]" 1
1789 1 132 PHE QD 1 138 ARG HG2 . . 5.100 4.882 4.504 5.058 . 0 0 "[ . 1 . 2]" 1
1790 1 132 PHE QD 1 141 HIS QB . . 4.560 4.184 3.959 4.392 . 0 0 "[ . 1 . 2]" 1
1791 1 120 PRO HG2 1 133 ALA HA . . 4.220 2.128 1.995 2.334 . 0 0 "[ . 1 . 2]" 1
1792 1 134 ASN H 1 137 ASP HB2 . . 4.590 3.257 2.385 3.717 . 0 0 "[ . 1 . 2]" 1
1793 1 134 ASN HB2 1 137 ASP H . . 4.580 3.297 3.044 3.705 . 0 0 "[ . 1 . 2]" 1
1794 1 136 SER HA 1 139 LYS QB . . 3.370 2.985 2.711 3.371 0.001 19 0 "[ . 1 . 2]" 1
1795 1 137 ASP HA 1 138 ARG HA . . 5.090 4.813 4.685 4.889 . 0 0 "[ . 1 . 2]" 1
1796 1 137 ASP HA 1 140 LYS HB2 . . 3.280 2.345 2.167 2.536 . 0 0 "[ . 1 . 2]" 1
1797 1 137 ASP HA 1 140 LYS HB3 . . 4.100 3.838 3.600 4.014 . 0 0 "[ . 1 . 2]" 1
1798 1 137 ASP HA 1 140 LYS HG2 . . 4.830 4.709 4.178 4.828 . 0 0 "[ . 1 . 2]" 1
1799 1 137 ASP HA 1 140 LYS HG3 . . 4.830 4.049 3.113 4.823 . 0 0 "[ . 1 . 2]" 1
1800 1 137 ASP HA 1 140 LYS QD . . 3.660 2.304 2.080 2.556 . 0 0 "[ . 1 . 2]" 1
1801 1 137 ASP HA 1 140 LYS QE . . 4.220 3.699 2.379 4.224 0.004 20 0 "[ . 1 . 2]" 1
1802 1 138 ARG HA 1 138 ARG HG3 . . 3.730 2.764 2.622 2.828 . 0 0 "[ . 1 . 2]" 1
1803 1 138 ARG HA 1 138 ARG HG2 . . 3.900 3.677 3.579 3.760 . 0 0 "[ . 1 . 2]" 1
1804 1 137 ASP HB3 1 138 ARG HA . . 4.210 3.980 3.841 4.185 . 0 0 "[ . 1 . 2]" 1
1805 1 138 ARG HA 1 138 ARG HD3 . . 5.230 3.998 3.885 4.350 . 0 0 "[ . 1 . 2]" 1
1806 1 138 ARG HA 1 140 LYS H . . 4.880 4.014 3.839 4.436 . 0 0 "[ . 1 . 2]" 1
1807 1 125 PHE QE 1 145 HIS HB2 . . 4.670 3.956 3.540 4.459 . 0 0 "[ . 1 . 2]" 1
1808 1 138 ARG HA 1 141 HIS QB . . 3.410 2.952 2.622 3.254 . 0 0 "[ . 1 . 2]" 1
1809 1 139 LYS HA 1 139 LYS HG3 . . 3.780 3.060 2.191 3.705 . 0 0 "[ . 1 . 2]" 1
1810 1 138 ARG HG2 1 139 LYS HA . . 4.100 3.390 3.183 3.711 . 0 0 "[ . 1 . 2]" 1
1811 1 138 ARG HG3 1 141 HIS QB . . 4.830 4.127 3.917 4.435 . 0 0 "[ . 1 . 2]" 1
1812 1 138 ARG HG2 1 142 MET HG3 . . 4.990 4.680 4.298 4.957 . 0 0 "[ . 1 . 2]" 1
1813 1 138 ARG HG3 1 142 MET HG2 . . 4.920 4.121 3.595 4.333 . 0 0 "[ . 1 . 2]" 1
1814 1 138 ARG HG2 1 142 MET HG2 . . 4.910 4.648 4.256 4.908 . 0 0 "[ . 1 . 2]" 1
1815 1 138 ARG HG3 1 142 MET HG3 . . 4.910 4.726 4.133 4.904 . 0 0 "[ . 1 . 2]" 1
1816 1 138 ARG HG3 1 142 MET ME . . 4.550 2.780 2.376 2.919 . 0 0 "[ . 1 . 2]" 1
1817 1 138 ARG HG2 1 142 MET ME . . 4.150 3.957 2.954 4.150 0.000 19 0 "[ . 1 . 2]" 1
1818 1 138 ARG HD2 1 142 MET ME . . 4.740 3.896 2.998 4.172 . 0 0 "[ . 1 . 2]" 1
1819 1 138 ARG HD3 1 142 MET ME . . 5.010 4.663 4.042 4.962 . 0 0 "[ . 1 . 2]" 1
1820 1 139 LYS H 1 139 LYS HG2 . . 4.840 4.083 2.547 4.647 . 0 0 "[ . 1 . 2]" 1
1821 1 139 LYS HA 1 139 LYS HG2 . . 3.780 3.152 2.243 3.796 0.016 19 0 "[ . 1 . 2]" 1
1822 1 139 LYS HA 1 142 MET H . . 4.020 3.690 3.578 3.823 . 0 0 "[ . 1 . 2]" 1
1823 1 139 LYS HA 1 142 MET QB . . 4.370 3.675 3.485 3.900 . 0 0 "[ . 1 . 2]" 1
1824 1 139 LYS HA 1 142 MET ME . . 4.680 3.853 3.194 4.118 . 0 0 "[ . 1 . 2]" 1
1825 1 100 LYS QE 1 100 LYS QG . . 3.020 2.113 2.015 2.259 . 0 0 "[ . 1 . 2]" 1
1826 1 140 LYS H 1 140 LYS HB3 . . 3.740 3.497 3.481 3.549 . 0 0 "[ . 1 . 2]" 1
1827 1 140 LYS H 1 140 LYS QD . . 4.330 3.625 2.503 3.990 . 0 0 "[ . 1 . 2]" 1
1828 1 140 LYS HA 1 140 LYS HB3 . . 2.990 2.659 2.599 2.675 . 0 0 "[ . 1 . 2]" 1
1829 1 140 LYS HA 1 140 LYS HB2 . . 3.000 2.981 2.974 3.004 0.004 20 0 "[ . 1 . 2]" 1
1830 1 140 LYS HA 1 140 LYS HG2 . . 3.880 2.695 2.443 3.434 . 0 0 "[ . 1 . 2]" 1
1831 1 140 LYS HA 1 140 LYS HG3 . . 3.880 2.518 2.144 2.883 . 0 0 "[ . 1 . 2]" 1
1832 1 140 LYS HA 1 143 HIS HD2 . . 3.780 2.852 2.030 3.604 . 0 0 "[ . 1 . 2]" 1
1833 1 140 LYS HB3 1 140 LYS QE . . 3.940 2.879 2.112 3.944 0.004 20 0 "[ . 1 . 2]" 1
1834 1 140 LYS HB2 1 140 LYS QE . . 4.550 3.209 2.162 4.143 . 0 0 "[ . 1 . 2]" 1
1835 1 140 LYS HB3 1 141 HIS H . . 3.750 3.741 3.719 3.757 0.007 20 0 "[ . 1 . 2]" 1
1836 1 140 LYS HB2 1 143 HIS HD2 . . 5.020 4.931 4.693 5.020 . 0 0 "[ . 1 . 2]" 1
1837 1 140 LYS QE 1 140 LYS HG2 . . 3.870 2.461 2.098 3.119 . 0 0 "[ . 1 . 2]" 1
1838 1 140 LYS QE 1 140 LYS HG3 . . 3.870 3.198 2.507 3.546 . 0 0 "[ . 1 . 2]" 1
1839 1 141 HIS HA 1 144 VAL MG2 . . 5.470 5.394 5.333 5.442 . 0 0 "[ . 1 . 2]" 1
1840 1 141 HIS QB 1 141 HIS HD2 . . 3.620 2.689 2.677 2.719 . 0 0 "[ . 1 . 2]" 1
1841 1 141 HIS QB 1 142 MET H . . 4.030 3.442 3.390 3.472 . 0 0 "[ . 1 . 2]" 1
1842 1 125 PHE QE 1 145 HIS HE1 . . 5.270 3.558 3.347 3.869 . 0 0 "[ . 1 . 2]" 1
1843 1 141 HIS HD2 1 142 MET H . . 4.990 4.692 4.585 4.782 . 0 0 "[ . 1 . 2]" 1
1844 1 142 MET HA 1 144 VAL H . . 4.140 3.445 3.413 3.476 . 0 0 "[ . 1 . 2]" 1
1845 1 144 VAL H 1 145 HIS HD2 . . 5.420 4.741 4.634 4.829 . 0 0 "[ . 1 . 2]" 1
1846 1 142 MET HA 1 142 MET HG2 . . 3.560 2.989 2.776 3.027 . 0 0 "[ . 1 . 2]" 1
1847 1 142 MET HA 1 142 MET HG3 . . 4.100 3.914 3.753 3.930 . 0 0 "[ . 1 . 2]" 1
1848 1 139 LYS HA 1 142 MET HG2 . . 3.820 2.506 2.264 3.113 . 0 0 "[ . 1 . 2]" 1
1849 1 139 LYS HA 1 142 MET HG3 . . 3.690 2.078 1.997 2.203 . 0 0 "[ . 1 . 2]" 1
1850 1 142 MET HA 1 144 VAL MG2 . . 5.180 5.112 5.072 5.159 . 0 0 "[ . 1 . 2]" 1
1851 1 142 MET HA 1 145 HIS HB2 . . 4.150 2.235 2.183 2.304 . 0 0 "[ . 1 . 2]" 1
1852 1 142 MET HA 1 145 HIS HB3 . . 4.750 3.892 3.847 3.951 . 0 0 "[ . 1 . 2]" 1
1853 1 142 MET HA 1 145 HIS HD2 . . 3.160 2.134 2.027 2.235 . 0 0 "[ . 1 . 2]" 1
1854 1 142 MET QB 1 143 HIS HA . . 4.490 3.907 3.894 3.921 . 0 0 "[ . 1 . 2]" 1
1855 1 142 MET QB 1 145 HIS HD2 . . 4.640 3.732 3.538 3.843 . 0 0 "[ . 1 . 2]" 1
1856 1 142 MET ME 1 145 HIS HD2 . . 3.810 2.008 1.805 3.776 . 0 0 "[ . 1 . 2]" 1
1857 1 142 MET ME 1 142 MET HG2 . . 3.700 2.160 1.997 2.229 . 0 0 "[ . 1 . 2]" 1
1858 1 141 HIS QB 1 142 MET ME . . 3.950 2.909 2.692 3.946 . 0 0 "[ . 1 . 2]" 1
1859 1 142 MET HG3 1 145 HIS HD2 . . 5.230 5.160 5.058 5.211 . 0 0 "[ . 1 . 2]" 1
1860 1 142 MET HG2 1 145 HIS HD2 . . 4.210 4.051 3.537 4.127 . 0 0 "[ . 1 . 2]" 1
1861 1 141 HIS QB 1 145 HIS HD2 . . 4.780 4.499 4.405 4.606 . 0 0 "[ . 1 . 2]" 1
1862 1 143 HIS HA 1 144 VAL HA . . 4.660 4.607 4.601 4.613 . 0 0 "[ . 1 . 2]" 1
1863 1 143 HIS HA 1 145 HIS H . . 4.170 4.088 4.011 4.170 0.000 20 0 "[ . 1 . 2]" 1
1864 1 143 HIS HA 1 146 THR H . . 4.390 4.003 3.902 4.287 . 0 0 "[ . 1 . 2]" 1
1865 1 144 VAL H 1 144 VAL MG2 . . 3.560 3.551 3.544 3.558 . 0 0 "[ . 1 . 2]" 1
1866 1 144 VAL HA 1 144 VAL HB . . 2.890 2.266 2.264 2.269 . 0 0 "[ . 1 . 2]" 1
1867 1 144 VAL HA 1 144 VAL MG2 . . 3.010 2.677 2.670 2.682 . 0 0 "[ . 1 . 2]" 1
1868 1 84 VAL HA 1 84 VAL MG1 . . 2.950 2.479 2.399 2.559 . 0 0 "[ . 1 . 2]" 1
1869 1 144 VAL HA 1 144 VAL MG1 . . 3.310 3.108 3.103 3.110 . 0 0 "[ . 1 . 2]" 1
1870 1 144 VAL HB 1 145 HIS H . . 4.450 4.411 4.367 4.441 . 0 0 "[ . 1 . 2]" 1
1871 1 144 VAL MG2 1 145 HIS H . . 3.650 3.356 3.284 3.411 . 0 0 "[ . 1 . 2]" 1
1872 1 144 VAL MG2 1 145 HIS HA . . 3.740 3.134 3.092 3.170 . 0 0 "[ . 1 . 2]" 1
1873 1 144 VAL MG2 1 145 HIS HD2 . . 5.030 4.923 4.821 5.003 . 0 0 "[ . 1 . 2]" 1
1874 1 144 VAL MG1 1 145 HIS HA . . 4.340 4.136 4.068 4.180 . 0 0 "[ . 1 . 2]" 1
1875 1 145 HIS HA 1 145 HIS HB3 . . 2.980 2.669 2.657 2.679 . 0 0 "[ . 1 . 2]" 1
1876 1 145 HIS HA 1 145 HIS HD2 . . 4.480 4.423 4.378 4.476 . 0 0 "[ . 1 . 2]" 1
1877 1 144 VAL H 1 145 HIS HA . . 4.960 4.770 4.750 4.780 . 0 0 "[ . 1 . 2]" 1
1878 1 145 HIS HB2 1 145 HIS HD2 . . 3.370 2.690 2.689 2.693 . 0 0 "[ . 1 . 2]" 1
1879 1 145 HIS HB3 1 145 HIS HD2 . . 3.830 3.664 3.631 3.694 . 0 0 "[ . 1 . 2]" 1
1880 1 145 HIS HB2 1 146 THR HA . . 5.060 4.819 4.637 5.038 . 0 0 "[ . 1 . 2]" 1
1881 1 146 THR H 1 146 THR HB . . 3.960 2.812 2.253 3.830 . 0 0 "[ . 1 . 2]" 1
1882 1 146 THR HA 1 146 THR MG . . 3.150 2.630 2.036 3.151 0.001 1 0 "[ . 1 . 2]" 1
1883 1 147 SER H 1 147 SER QB . . 3.880 2.610 2.182 3.313 . 0 0 "[ . 1 . 2]" 1
1884 1 147 SER QB 1 148 ASP H . . 4.680 3.138 1.984 4.030 . 0 0 "[ . 1 . 2]" 1
1885 1 140 LYS HB3 1 141 HIS HA . . 4.370 4.256 4.240 4.317 . 0 0 "[ . 1 . 2]" 1
1886 1 141 HIS HE1 1 144 VAL MG2 . . 4.260 4.185 4.114 4.246 . 0 0 "[ . 1 . 2]" 1
1887 1 100 LYS QE 1 111 HIS HE1 . . 5.050 4.712 3.972 5.052 0.002 6 0 "[ . 1 . 2]" 1
1888 1 82 ILE MD 1 85 HIS HD2 . . 4.570 4.118 3.683 4.502 . 0 0 "[ . 1 . 2]" 1
1889 1 60 CYS HA 1 82 ILE MD . . 4.730 4.669 4.590 4.729 . 0 0 "[ . 1 . 2]" 1
1890 1 81 HIS HD2 1 82 ILE MD . . 4.140 3.807 3.657 4.144 0.004 10 0 "[ . 1 . 2]" 1
1891 1 128 CYS HB2 1 145 HIS HE1 . . 3.650 2.761 2.601 2.850 . 0 0 "[ . 1 . 2]" 1
1892 1 125 PHE HB3 1 145 HIS HE1 . . 4.510 3.072 2.825 3.246 . 0 0 "[ . 1 . 2]" 1
1893 1 128 CYS HB3 1 145 HIS HE1 . . 4.040 3.982 3.795 4.041 0.001 19 0 "[ . 1 . 2]" 1
1894 1 125 PHE QD 1 145 HIS HE1 . . 4.410 2.605 2.378 2.893 . 0 0 "[ . 1 . 2]" 1
1895 1 59 VAL MG1 1 69 GLY HA2 . . 3.870 2.521 1.826 2.876 . 0 0 "[ . 1 . 2]" 1
1896 1 47 MET ME 1 52 GLY HA3 . . 4.470 4.201 3.846 4.476 0.006 14 0 "[ . 1 . 2]" 1
1897 1 47 MET ME 1 52 GLY HA2 . . 4.470 3.681 3.268 4.452 . 0 0 "[ . 1 . 2]" 1
1898 1 51 GLY QA 1 55 GLN HG3 . . 4.390 2.959 2.039 4.334 . 0 0 "[ . 1 . 2]" 1
1899 1 35 PHE HB2 1 41 LEU MD1 . . 4.960 4.286 3.782 4.708 . 0 0 "[ . 1 . 2]" 1
1900 1 35 PHE HB2 1 41 LEU MD2 . . 5.490 4.539 4.148 4.954 . 0 0 "[ . 1 . 2]" 1
1901 1 101 ILE MD 1 102 PHE H . . 5.020 4.841 4.629 5.004 . 0 0 "[ . 1 . 2]" 1
1902 1 101 ILE H 1 101 ILE MD . . 4.380 4.111 3.901 4.259 . 0 0 "[ . 1 . 2]" 1
1903 1 89 LYS QE 1 101 ILE MD . . 4.390 3.359 1.874 4.280 . 0 0 "[ . 1 . 2]" 1
1904 1 19 ILE MD 1 63 GLU HG3 . . 3.990 2.218 1.790 3.519 . 0 0 "[ . 1 . 2]" 1
1905 1 132 PHE HB3 1 133 ALA MB . . 4.760 4.571 4.432 4.666 . 0 0 "[ . 1 . 2]" 1
1906 1 132 PHE HB2 1 133 ALA MB . . 5.330 5.133 4.976 5.332 0.002 20 0 "[ . 1 . 2]" 1
1907 1 110 ILE MD 1 111 HIS H . . 4.990 4.717 4.587 4.911 . 0 0 "[ . 1 . 2]" 1
1908 1 130 ARG QD 1 141 HIS HE1 . . 3.820 3.173 2.832 3.593 . 0 0 "[ . 1 . 2]" 1
1909 1 132 PHE QD 1 137 ASP HB3 . . 3.910 2.601 2.000 3.185 . 0 0 "[ . 1 . 2]" 1
1910 1 132 PHE QD 1 137 ASP HB2 . . 4.410 3.896 3.173 4.342 . 0 0 "[ . 1 . 2]" 1
1911 1 125 PHE HB3 1 145 HIS HD2 . . 4.460 4.374 4.139 4.452 . 0 0 "[ . 1 . 2]" 1
1912 1 125 PHE HB2 1 145 HIS HD2 . . 4.140 3.355 3.024 3.476 . 0 0 "[ . 1 . 2]" 1
1913 1 18 TRP HZ2 1 61 TYR QD . . 3.520 2.681 2.302 3.006 . 0 0 "[ . 1 . 2]" 1
1914 1 35 PHE QD 1 40 GLU QB . . 4.020 2.119 1.983 2.503 . 0 0 "[ . 1 . 2]" 1
1915 1 72 PHE QD 1 78 LEU MD1 . . 3.630 2.929 2.084 3.561 . 0 0 "[ . 1 . 2]" 1
1916 1 101 ILE HA 1 102 PHE QD . . 4.010 2.615 2.445 2.815 . 0 0 "[ . 1 . 2]" 1
1917 1 125 PHE QD 1 128 CYS HB3 . . 4.140 3.722 3.536 3.878 . 0 0 "[ . 1 . 2]" 1
1918 1 95 PHE QD 1 98 CYS HB3 . . 4.390 3.578 3.463 3.787 . 0 0 "[ . 1 . 2]" 1
1919 1 95 PHE QD 1 98 CYS HB2 . . 4.390 2.787 2.574 3.224 . 0 0 "[ . 1 . 2]" 1
1920 1 95 PHE QD 1 99 GLY H . . 5.020 4.459 4.036 5.018 . 0 0 "[ . 1 . 2]" 1
1921 1 95 PHE QD 1 96 PRO QG . . 4.500 3.085 2.926 3.272 . 0 0 "[ . 1 . 2]" 1
1922 1 120 PRO HG2 1 121 PHE QD . . 4.620 2.114 2.003 2.306 . 0 0 "[ . 1 . 2]" 1
1923 1 120 PRO HD2 1 121 PHE QD . . 4.310 4.167 3.972 4.310 0.000 20 0 "[ . 1 . 2]" 1
1924 1 102 PHE QD 1 107 ASN HB2 . . 4.500 3.589 3.358 3.806 . 0 0 "[ . 1 . 2]" 1
1925 1 102 PHE QD 1 107 ASN HB3 . . 4.500 2.239 2.006 2.534 . 0 0 "[ . 1 . 2]" 1
1926 1 79 VAL MG1 1 80 ASN QB . . 4.780 4.259 3.558 4.728 . 0 0 "[ . 1 . 2]" 1
1927 1 79 VAL HB 1 80 ASN QB . . 4.740 4.277 3.874 4.713 . 0 0 "[ . 1 . 2]" 1
1928 1 81 HIS H 1 82 ILE HB . . 5.210 5.108 4.971 5.214 0.004 20 0 "[ . 1 . 2]" 1
1929 1 42 VAL MG1 1 46 THR HB . . 4.110 3.437 3.298 3.626 . 0 0 "[ . 1 . 2]" 1
1930 1 46 THR HB 1 79 VAL MG2 . . 5.360 4.654 4.193 5.172 . 0 0 "[ . 1 . 2]" 1
1931 1 46 THR HB 1 82 ILE MD . . 5.500 4.627 4.182 4.919 . 0 0 "[ . 1 . 2]" 1
1932 1 46 THR HB 1 47 MET HB3 . . 5.280 5.210 5.116 5.286 0.006 1 0 "[ . 1 . 2]" 1
1933 1 35 PHE QD 1 40 GLU QG . . 4.480 3.915 3.301 4.348 . 0 0 "[ . 1 . 2]" 1
1934 1 93 CYS H 1 102 PHE QE . . 4.720 4.704 4.418 4.726 0.006 10 0 "[ . 1 . 2]" 1
1935 1 60 CYS H 1 72 PHE QE . . 5.330 4.308 3.329 5.208 . 0 0 "[ . 1 . 2]" 1
1936 1 72 PHE H 1 72 PHE QE . . 5.500 4.808 4.350 5.373 . 0 0 "[ . 1 . 2]" 1
1937 1 72 PHE QE 1 78 LEU MD1 . . 3.730 2.341 1.938 3.177 . 0 0 "[ . 1 . 2]" 1
1938 1 91 PHE HZ 1 105 SER HB2 . . 4.720 3.198 2.019 4.690 . 0 0 "[ . 1 . 2]" 1
1939 1 42 VAL HA 1 45 VAL MG2 . . 3.940 3.408 3.154 3.867 . 0 0 "[ . 1 . 2]" 1
1940 1 19 ILE MD 1 63 GLU HG2 . . 3.990 3.049 2.141 4.003 0.013 14 0 "[ . 1 . 2]" 1
1941 1 130 ARG HG3 1 141 HIS HD2 . . 4.860 3.600 3.010 4.051 . 0 0 "[ . 1 . 2]" 1
1942 1 125 PHE HB2 1 141 HIS HD2 . . 4.990 4.160 3.831 4.357 . 0 0 "[ . 1 . 2]" 1
1943 1 138 ARG HA 1 141 HIS HD2 . . 5.500 4.850 4.459 5.275 . 0 0 "[ . 1 . 2]" 1
1944 1 55 GLN H 1 55 GLN HG3 . . 4.700 3.696 2.172 4.643 . 0 0 "[ . 1 . 2]" 1
1945 1 55 GLN H 1 55 GLN HG2 . . 4.700 3.493 2.340 4.699 . 0 0 "[ . 1 . 2]" 1
1946 1 15 SER QB 1 17 LYS HD2 . . 4.520 3.733 2.892 4.504 . 0 0 "[ . 1 . 2]" 1
1947 1 12 GLN QG 1 14 LEU MD2 . . 3.970 2.854 1.989 3.956 . 0 0 "[ . 1 . 2]" 1
1948 1 62 TRP HZ3 1 82 ILE HA . . 5.500 5.041 4.572 5.504 0.004 18 0 "[ . 1 . 2]" 1
1949 1 81 HIS H 1 82 ILE HA . . 5.500 5.279 5.141 5.387 . 0 0 "[ . 1 . 2]" 1
1950 1 82 ILE HA 1 86 THR H . . 5.500 5.308 4.899 5.501 0.001 15 0 "[ . 1 . 2]" 1
1951 1 36 SER HB2 1 37 THR MG . . 4.030 3.382 2.754 4.005 . 0 0 "[ . 1 . 2]" 1
1952 1 53 PRO HA 1 75 LYS HE3 . . 4.340 2.920 2.028 3.918 . 0 0 "[ . 1 . 2]" 1
1953 1 53 PRO HA 1 75 LYS HE2 . . 4.340 2.728 2.001 4.208 . 0 0 "[ . 1 . 2]" 1
1954 1 25 SER HB2 1 29 LYS QG . . 4.360 3.249 2.504 4.374 0.014 2 0 "[ . 1 . 2]" 1
1955 1 25 SER HB3 1 29 LYS QG . . 4.360 3.640 2.376 4.378 0.018 17 0 "[ . 1 . 2]" 1
1956 1 25 SER HB3 1 29 LYS QD . . 4.320 3.521 2.472 4.321 0.001 15 0 "[ . 1 . 2]" 1
1957 1 25 SER HB2 1 29 LYS QD . . 4.320 3.300 1.893 4.316 . 0 0 "[ . 1 . 2]" 1
1958 1 120 PRO HB2 1 133 ALA HA . . 4.550 4.249 3.437 4.551 0.001 8 0 "[ . 1 . 2]" 1
1959 1 95 PHE QE 1 120 PRO HB2 . . 5.430 5.009 3.782 5.426 . 0 0 "[ . 1 . 2]" 1
1960 1 95 PHE HZ 1 120 PRO HB2 . . 5.500 5.095 4.136 5.498 . 0 0 "[ . 1 . 2]" 1
1961 1 139 LYS QB 1 142 MET HG3 . . 4.750 3.831 3.157 4.161 . 0 0 "[ . 1 . 2]" 1
1962 1 139 LYS QB 1 142 MET HG2 . . 5.170 4.465 4.061 5.125 . 0 0 "[ . 1 . 2]" 1
1963 1 43 THR HA 1 47 MET HB3 . . 5.500 5.514 5.507 5.535 0.035 13 0 "[ . 1 . 2]" 1
1964 1 90 PRO HA 1 91 PHE QD . . 4.710 4.504 4.046 4.724 0.014 10 0 "[ . 1 . 2]" 1
1965 1 123 CYS HA 1 132 PHE QE . . 4.690 2.598 1.998 3.293 . 0 0 "[ . 1 . 2]" 1
1966 1 121 PHE QE 1 135 SER HB2 . . 4.370 2.680 2.005 4.310 . 0 0 "[ . 1 . 2]" 1
1967 1 121 PHE QE 1 135 SER HB3 . . 4.370 3.534 2.199 4.281 . 0 0 "[ . 1 . 2]" 1
1968 1 121 PHE QD 1 135 SER HB3 . . 4.940 4.623 3.734 4.941 0.001 1 0 "[ . 1 . 2]" 1
1969 1 121 PHE QD 1 135 SER HB2 . . 4.940 3.919 3.208 4.901 . 0 0 "[ . 1 . 2]" 1
1970 1 18 TRP HH2 1 78 LEU MD1 . . 4.890 4.360 3.969 4.866 . 0 0 "[ . 1 . 2]" 1
1971 1 18 TRP HH2 1 82 ILE MG . . 5.450 4.999 4.651 5.285 . 0 0 "[ . 1 . 2]" 1
1972 1 93 CYS HB3 1 102 PHE QE . . 4.550 4.174 3.812 4.443 . 0 0 "[ . 1 . 2]" 1
1973 1 59 VAL HA 1 72 PHE QD . . 4.650 4.356 3.589 4.664 0.014 20 0 "[ . 1 . 2]" 1
1974 1 123 CYS HB2 1 141 HIS HD2 . . 4.350 3.297 3.012 3.609 . 0 0 "[ . 1 . 2]" 1
1975 1 123 CYS HB3 1 141 HIS HD2 . . 4.640 4.466 4.240 4.639 . 0 0 "[ . 1 . 2]" 1
1976 1 123 CYS HB3 1 132 PHE QE . . 4.220 3.731 3.437 4.164 . 0 0 "[ . 1 . 2]" 1
1977 1 123 CYS HB2 1 132 PHE QE . . 4.060 2.162 1.999 2.444 . 0 0 "[ . 1 . 2]" 1
1978 1 112 LYS H 1 112 LYS HD2 . . 4.850 4.638 4.217 4.850 0.000 14 0 "[ . 1 . 2]" 1
1979 1 112 LYS H 1 112 LYS HD3 . . 4.850 3.436 3.049 3.654 . 0 0 "[ . 1 . 2]" 1
1980 1 138 ARG H 1 140 LYS QD . . 5.500 5.167 4.479 5.458 . 0 0 "[ . 1 . 2]" 1
1981 1 19 ILE MG 1 28 LYS HD2 . . 4.210 3.269 2.561 4.176 . 0 0 "[ . 1 . 2]" 1
1982 1 19 ILE MG 1 28 LYS HD3 . . 4.210 3.446 2.423 4.242 0.032 15 0 "[ . 1 . 2]" 1
1983 1 109 LYS H 1 109 LYS QD . . 4.900 3.854 2.237 4.496 . 0 0 "[ . 1 . 2]" 1
1984 1 108 LEU MD1 1 112 LYS HA . . 4.780 4.139 3.878 4.450 . 0 0 "[ . 1 . 2]" 1
1985 1 112 LYS HA 1 114 THR MG . . 5.050 4.158 3.726 5.064 0.014 19 0 "[ . 1 . 2]" 1
1986 1 51 GLY QA 1 55 GLN HB3 . . 4.600 4.356 3.538 4.610 0.010 20 0 "[ . 1 . 2]" 1
1987 1 51 GLY QA 1 55 GLN HB2 . . 4.600 3.549 2.479 4.017 . 0 0 "[ . 1 . 2]" 1
1988 1 100 LYS H 1 100 LYS HD3 . . 5.470 4.822 4.630 4.918 . 0 0 "[ . 1 . 2]" 1
1989 1 100 LYS H 1 100 LYS HD2 . . 5.330 5.204 5.090 5.331 0.001 13 0 "[ . 1 . 2]" 1
1990 1 100 LYS HD2 1 102 PHE H . . 5.500 5.502 5.497 5.510 0.010 13 0 "[ . 1 . 2]" 1
1991 1 58 HIS HD2 1 78 LEU MD2 . . 4.800 3.378 2.029 4.638 . 0 0 "[ . 1 . 2]" 1
1992 1 18 TRP HH2 1 78 LEU MD2 . . 4.330 4.199 3.814 4.325 . 0 0 "[ . 1 . 2]" 1
1993 1 72 PHE QD 1 78 LEU MD2 . . 4.680 3.397 2.923 3.779 . 0 0 "[ . 1 . 2]" 1
1994 1 72 PHE QE 1 78 LEU MD2 . . 4.740 4.114 3.433 4.748 0.008 20 0 "[ . 1 . 2]" 1
1995 1 78 LEU MD2 1 79 VAL H . . 4.420 4.228 3.724 4.424 0.004 17 0 "[ . 1 . 2]" 1
1996 1 81 HIS HA 1 84 VAL MG2 . . 4.320 3.557 3.196 4.069 . 0 0 "[ . 1 . 2]" 1
1997 1 41 LEU MD2 1 42 VAL H . . 4.490 3.977 3.490 4.473 . 0 0 "[ . 1 . 2]" 1
1998 1 41 LEU MD2 1 62 TRP HH2 . . 4.700 4.114 3.726 4.452 . 0 0 "[ . 1 . 2]" 1
1999 1 41 LEU H 1 41 LEU MD2 . . 4.320 4.172 4.064 4.248 . 0 0 "[ . 1 . 2]" 1
2000 1 35 PHE QD 1 41 LEU MD2 . . 4.380 3.929 3.367 4.312 . 0 0 "[ . 1 . 2]" 1
2001 1 113 ARG HA 1 113 ARG QD . . 4.450 4.423 4.259 4.452 0.002 10 0 "[ . 1 . 2]" 1
2002 1 120 PRO HG3 1 121 PHE QE . . 4.870 4.336 4.129 4.774 . 0 0 "[ . 1 . 2]" 1
2003 1 120 PRO HG2 1 121 PHE QE . . 4.870 3.805 3.518 4.053 . 0 0 "[ . 1 . 2]" 1
2004 1 90 PRO HG2 1 91 PHE QE . . 4.970 3.200 2.336 3.634 . 0 0 "[ . 1 . 2]" 1
2005 1 90 PRO HG3 1 91 PHE QE . . 4.970 3.733 2.793 4.147 . 0 0 "[ . 1 . 2]" 1
2006 1 90 PRO HG3 1 91 PHE QD . . 4.990 4.332 3.247 4.682 . 0 0 "[ . 1 . 2]" 1
2007 1 90 PRO HG2 1 91 PHE QD . . 4.990 2.988 1.937 3.538 . 0 0 "[ . 1 . 2]" 1
2008 1 120 PRO HG3 1 121 PHE QD . . 4.620 3.512 3.354 3.852 . 0 0 "[ . 1 . 2]" 1
2009 1 14 LEU MD1 1 39 HIS H . . 4.710 4.568 4.429 4.715 0.005 16 0 "[ . 1 . 2]" 1
2010 1 14 LEU H 1 14 LEU MD1 . . 3.930 3.641 3.380 3.932 0.002 20 0 "[ . 1 . 2]" 1
2011 1 14 LEU MD1 1 15 SER H . . 4.720 4.531 4.330 4.711 . 0 0 "[ . 1 . 2]" 1
2012 1 62 TRP HE3 1 82 ILE MG . . 4.530 4.118 3.726 4.463 . 0 0 "[ . 1 . 2]" 1
2013 1 59 VAL MG2 1 61 TYR QE . . 4.060 3.799 3.403 4.062 0.002 20 0 "[ . 1 . 2]" 1
2014 1 18 TRP HZ2 1 61 TYR QE . . 4.120 3.701 2.995 4.092 . 0 0 "[ . 1 . 2]" 1
2015 1 12 GLN H 1 14 LEU MD2 . . 5.500 4.993 4.574 5.380 . 0 0 "[ . 1 . 2]" 1
2016 1 13 GLU H 1 14 LEU MD2 . . 5.500 4.526 3.835 4.880 . 0 0 "[ . 1 . 2]" 1
2017 1 78 LEU MD1 1 79 VAL H . . 4.460 4.064 3.699 4.380 . 0 0 "[ . 1 . 2]" 1
2018 1 18 TRP HZ2 1 61 TYR HB2 . . 4.790 4.516 4.284 4.763 . 0 0 "[ . 1 . 2]" 1
2019 1 45 VAL MG1 1 49 HIS H . . 5.450 5.228 5.191 5.253 . 0 0 "[ . 1 . 2]" 1
2020 1 44 HIS HD2 1 45 VAL MG1 . . 4.400 3.989 3.875 4.209 . 0 0 "[ . 1 . 2]" 1
2021 1 102 PHE HZ 1 108 LEU MD1 . . 4.560 3.915 3.679 4.292 . 0 0 "[ . 1 . 2]" 1
2022 1 45 VAL MG1 1 46 THR H . . 3.950 3.879 3.668 3.953 0.003 12 0 "[ . 1 . 2]" 1
2023 1 108 LEU MD1 1 112 LYS H . . 3.720 3.526 2.990 3.724 0.004 1 0 "[ . 1 . 2]" 1
2024 1 57 ASN HD22 1 59 VAL MG2 . . 4.420 2.650 1.808 4.080 . 0 0 "[ . 1 . 2]" 1
2025 1 50 VAL MG1 1 75 LYS HE2 . . 4.420 3.817 2.804 4.413 . 0 0 "[ . 1 . 2]" 1
2026 1 50 VAL MG1 1 75 LYS HA . . 5.010 4.803 4.217 5.012 0.002 10 0 "[ . 1 . 2]" 1
2027 1 50 VAL MG1 1 79 VAL HA . . 4.500 4.397 4.184 4.507 0.007 10 0 "[ . 1 . 2]" 1
2028 1 37 THR MG 1 40 GLU H . . 4.640 4.277 4.004 4.600 . 0 0 "[ . 1 . 2]" 1
2029 1 36 SER HB3 1 37 THR MG . . 4.030 3.304 2.250 4.023 . 0 0 "[ . 1 . 2]" 1
2030 1 37 THR MG 1 40 GLU QG . . 3.940 3.099 2.282 3.827 . 0 0 "[ . 1 . 2]" 1
2031 1 59 VAL MG1 1 69 GLY HA3 . . 3.870 3.054 2.455 3.822 . 0 0 "[ . 1 . 2]" 1
2032 1 59 VAL MG1 1 69 GLY H . . 4.800 4.329 3.425 4.713 . 0 0 "[ . 1 . 2]" 1
2033 1 14 LEU H 1 34 THR MG . . 4.450 4.289 3.712 4.448 . 0 0 "[ . 1 . 2]" 1
2034 1 85 HIS H 1 86 THR MG . . 4.020 3.619 3.279 4.028 0.008 10 0 "[ . 1 . 2]" 1
2035 1 43 THR MG 1 47 MET HB3 . . 3.980 3.967 3.917 3.990 0.010 14 0 "[ . 1 . 2]" 1
2036 1 43 THR MG 1 47 MET HB2 . . 3.410 2.871 2.788 2.935 . 0 0 "[ . 1 . 2]" 1
2037 1 43 THR MG 1 47 MET ME . . 3.740 3.368 2.593 3.675 . 0 0 "[ . 1 . 2]" 1
2038 1 82 ILE MG 1 83 ARG HA . . 4.270 4.105 3.937 4.238 . 0 0 "[ . 1 . 2]" 1
2039 1 101 ILE MG 1 102 PHE QD . . 4.460 3.581 3.339 3.821 . 0 0 "[ . 1 . 2]" 1
2040 1 110 ILE MG 1 111 HIS HA . . 4.100 3.443 3.290 3.588 . 0 0 "[ . 1 . 2]" 1
2041 1 107 ASN HA 1 110 ILE MG . . 4.200 4.115 3.898 4.202 0.002 20 0 "[ . 1 . 2]" 1
2042 1 144 VAL MG1 1 145 HIS HD2 . . 4.430 3.854 3.763 3.915 . 0 0 "[ . 1 . 2]" 1
2043 1 143 HIS QB 1 144 VAL MG1 . . 4.480 3.693 3.258 4.124 . 0 0 "[ . 1 . 2]" 1
2044 1 144 VAL MG1 1 145 HIS HB2 . . 4.670 4.095 4.066 4.137 . 0 0 "[ . 1 . 2]" 1
2045 1 143 HIS QB 1 144 VAL HA . . 4.770 4.326 4.058 4.596 . 0 0 "[ . 1 . 2]" 1
2046 1 140 LYS HA 1 140 LYS QE . . 4.630 4.462 4.217 4.619 . 0 0 "[ . 1 . 2]" 1
2047 1 140 LYS HA 1 143 HIS QB . . 4.550 3.959 3.651 4.381 . 0 0 "[ . 1 . 2]" 1
2048 1 133 ALA MB 1 134 ASN HD22 . . 4.400 3.391 2.828 3.973 . 0 0 "[ . 1 . 2]" 1
2049 1 133 ALA MB 1 134 ASN HB3 . . 4.100 3.861 3.566 4.046 . 0 0 "[ . 1 . 2]" 1
2050 1 120 PRO HD2 1 133 ALA MB . . 4.230 3.688 2.696 4.229 . 0 0 "[ . 1 . 2]" 1
2051 1 130 ARG QD 1 132 PHE HZ . . 5.500 3.853 2.727 4.841 . 0 0 "[ . 1 . 2]" 1
2052 1 126 GLU QG 1 127 GLY HA3 . . 4.750 3.355 2.890 4.389 . 0 0 "[ . 1 . 2]" 1
2053 1 126 GLU QG 1 127 GLY HA2 . . 4.750 3.786 3.373 4.426 . 0 0 "[ . 1 . 2]" 1
2054 1 125 PHE HB2 1 142 MET ME . . 4.230 2.466 1.978 3.334 . 0 0 "[ . 1 . 2]" 1
2055 1 125 PHE HB3 1 142 MET ME . . 4.820 3.767 3.296 4.790 . 0 0 "[ . 1 . 2]" 1
2056 1 111 HIS QB 1 114 THR MG . . 4.230 3.499 3.277 3.838 . 0 0 "[ . 1 . 2]" 1
2057 1 110 ILE MD 1 113 ARG QD . . 4.840 4.495 4.154 4.826 . 0 0 "[ . 1 . 2]" 1
2058 1 91 PHE HA 1 108 LEU MD2 . . 4.770 4.607 4.283 4.774 0.004 10 0 "[ . 1 . 2]" 1
2059 1 91 PHE QD 1 108 LEU MD2 . . 3.590 1.945 1.778 2.561 . 0 0 "[ . 1 . 2]" 1
2060 1 91 PHE QE 1 108 LEU MD2 . . 4.310 2.773 2.120 3.910 . 0 0 "[ . 1 . 2]" 1
2061 1 102 PHE QD 1 108 LEU MD2 . . 4.630 3.125 2.481 3.854 . 0 0 "[ . 1 . 2]" 1
2062 1 108 LEU MD2 1 109 LYS H . . 4.510 4.367 3.980 4.514 0.004 10 0 "[ . 1 . 2]" 1
2063 1 91 PHE QE 1 105 SER HB2 . . 4.580 3.911 3.039 4.578 . 0 0 "[ . 1 . 2]" 1
2064 1 91 PHE QE 1 105 SER HB3 . . 4.580 3.754 3.161 4.581 0.001 6 0 "[ . 1 . 2]" 1
2065 1 91 PHE HZ 1 105 SER HB3 . . 4.720 2.991 2.096 4.243 . 0 0 "[ . 1 . 2]" 1
2066 1 89 LYS QE 1 101 ILE MG . . 4.000 2.159 1.815 2.627 . 0 0 "[ . 1 . 2]" 1
2067 1 76 TYR QE 1 77 LYS QE . . 3.620 3.315 1.978 3.622 0.002 8 0 "[ . 1 . 2]" 1
2068 1 72 PHE QE 1 77 LYS QE . . 5.320 4.663 3.850 5.317 . 0 0 "[ . 1 . 2]" 1
2069 1 76 TYR QD 1 77 LYS QE . . 5.500 4.156 2.322 5.027 . 0 0 "[ . 1 . 2]" 1
2070 1 77 LYS HA 1 77 LYS QE . . 4.010 2.966 1.837 4.051 0.041 18 0 "[ . 1 . 2]" 1
2071 1 72 PHE QD 1 77 LYS QE . . 4.190 3.660 2.976 4.190 . 2 0 "[ . 1 . 2]" 1
2072 1 51 GLY QA 1 55 GLN HG2 . . 4.390 3.238 2.048 4.373 . 0 0 "[ . 1 . 2]" 1
2073 1 50 VAL MG1 1 79 VAL H . . 4.860 4.624 4.355 4.861 0.001 11 0 "[ . 1 . 2]" 1
2074 1 11 LYS H 1 11 LYS QD . . 4.720 3.856 2.553 4.607 . 0 0 "[ . 1 . 2]" 1
2075 1 29 LYS QD 1 30 SER H . . 5.380 4.697 3.148 5.384 0.004 14 0 "[ . 1 . 2]" 1
2076 1 29 LYS H 1 29 LYS QD . . 4.570 3.806 1.731 4.516 . 0 0 "[ . 1 . 2]" 1
2077 1 29 LYS HA 1 29 LYS QD . . 4.480 4.058 2.463 4.489 0.009 15 0 "[ . 1 . 2]" 1
2078 1 19 ILE HA 1 20 ASP QB . . 4.340 4.149 4.080 4.291 . 0 0 "[ . 1 . 2]" 1
2079 1 19 ILE MD 1 30 SER HA . . 3.950 3.742 3.551 3.913 . 0 0 "[ . 1 . 2]" 1
2080 1 19 ILE MD 1 29 LYS HA . . 4.600 4.108 3.014 4.589 . 0 0 "[ . 1 . 2]" 1
2081 1 19 ILE MD 1 31 CYS H . . 5.420 5.366 5.205 5.432 0.012 1 0 "[ . 1 . 2]" 1
2082 1 19 ILE MD 1 30 SER H . . 4.850 4.323 3.580 4.744 . 0 0 "[ . 1 . 2]" 1
2083 1 19 ILE MD 1 23 GLN HE21 . . 4.970 4.748 4.452 4.967 . 0 0 "[ . 1 . 2]" 1
2084 1 19 ILE MD 1 20 ASP H . . 5.480 5.191 5.099 5.314 . 0 0 "[ . 1 . 2]" 1
2085 1 19 ILE MD 1 23 GLN HE22 . . 4.970 3.914 3.431 4.392 . 0 0 "[ . 1 . 2]" 1
2086 1 19 ILE MG 1 23 GLN HB3 . . 4.830 4.445 3.922 4.799 . 0 0 "[ . 1 . 2]" 1
2087 1 19 ILE MG 1 20 ASP QB . . 4.570 4.366 4.211 4.536 . 0 0 "[ . 1 . 2]" 1
2088 1 19 ILE MG 1 28 LYS QE . . 4.450 3.518 1.763 4.364 . 0 0 "[ . 1 . 2]" 1
2089 1 19 ILE MG 1 28 LYS HA . . 4.880 3.919 3.234 4.190 . 0 0 "[ . 1 . 2]" 1
2090 1 19 ILE MG 1 63 GLU HA . . 5.060 3.343 3.132 3.753 . 0 0 "[ . 1 . 2]" 1
2091 1 19 ILE MG 1 20 ASP HA . . 4.720 4.127 4.000 4.260 . 0 0 "[ . 1 . 2]" 1
2092 1 19 ILE MG 1 29 LYS HA . . 4.910 4.655 3.860 4.913 0.003 14 0 "[ . 1 . 2]" 1
2093 1 13 GLU HA 1 14 LEU MD2 . . 4.280 4.095 3.530 4.279 . 0 0 "[ . 1 . 2]" 1
2094 1 14 LEU MD2 1 38 MET H . . 4.770 4.366 4.038 4.749 . 0 0 "[ . 1 . 2]" 1
2095 1 95 PHE QE 1 120 PRO HB3 . . 4.280 3.803 2.334 4.284 0.004 10 0 "[ . 1 . 2]" 1
2096 1 125 PHE QD 1 126 GLU H . . 4.320 3.590 3.081 3.872 . 0 0 "[ . 1 . 2]" 1
2097 1 8 GLN HA 1 9 PRO QD . . 2.640 2.022 1.983 2.083 . 0 0 "[ . 1 . 2]" 1
2098 1 8 GLN QB 1 9 PRO QD . . 3.410 2.376 1.978 3.166 . 0 0 "[ . 1 . 2]" 1
2099 1 10 ILE H 1 10 ILE QG . . 3.330 2.207 1.881 2.618 . 0 0 "[ . 1 . 2]" 1
2100 1 10 ILE HA 1 10 ILE QG . . 3.480 2.567 2.372 2.884 . 0 0 "[ . 1 . 2]" 1
2101 1 10 ILE QG 1 10 ILE MG . . 3.000 2.300 2.057 2.519 . 0 0 "[ . 1 . 2]" 1
2102 1 11 LYS H 1 11 LYS QB . . 3.200 2.547 2.216 3.026 . 0 0 "[ . 1 . 2]" 1
2103 1 11 LYS H 1 11 LYS QG . . 4.030 2.630 1.851 4.003 . 0 0 "[ . 1 . 2]" 1
2104 1 11 LYS HA 1 11 LYS QG . . 3.490 2.836 2.194 3.343 . 0 0 "[ . 1 . 2]" 1
2105 1 12 GLN H 1 12 GLN QB . . 3.410 2.386 2.220 2.605 . 0 0 "[ . 1 . 2]" 1
2106 1 12 GLN QB 1 14 LEU MD2 . . 4.170 3.332 2.226 4.083 . 0 0 "[ . 1 . 2]" 1
2107 1 13 GLU H 1 13 GLU QB . . 3.120 2.338 2.119 2.711 . 0 0 "[ . 1 . 2]" 1
2108 1 13 GLU H 1 13 GLU QG . . 3.650 2.853 2.054 3.668 0.018 12 0 "[ . 1 . 2]" 1
2109 1 13 GLU HA 1 13 GLU QG . . 3.350 2.902 2.183 3.356 0.006 12 0 "[ . 1 . 2]" 1
2110 1 13 GLU QB 1 14 LEU H . . 3.770 3.226 2.910 3.603 . 0 0 "[ . 1 . 2]" 1
2111 1 13 GLU QB 1 34 THR HB . . 4.020 3.768 3.482 3.997 . 0 0 "[ . 1 . 2]" 1
2112 1 13 GLU QG 1 34 THR MG . . 3.940 3.573 2.725 3.938 . 0 0 "[ . 1 . 2]" 1
2113 1 14 LEU HB2 1 41 LEU QB . . 5.050 2.805 2.547 3.030 . 0 0 "[ . 1 . 2]" 1
2114 1 14 LEU HB3 1 41 LEU QB . . 4.420 3.354 2.910 3.725 . 0 0 "[ . 1 . 2]" 1
2115 1 14 LEU MD1 1 41 LEU QB . . 3.300 1.883 1.684 2.110 . 0 0 "[ . 1 . 2]" 1
2116 1 15 SER QB 1 17 LYS QG . . 4.160 3.441 2.903 3.800 . 0 0 "[ . 1 . 2]" 1
2117 1 15 SER QB 1 17 LYS QD . . 3.930 2.773 2.216 3.858 . 0 0 "[ . 1 . 2]" 1
2118 1 15 SER QB 1 17 LYS QE . . 4.380 3.668 1.951 4.391 0.011 20 0 "[ . 1 . 2]" 1
2119 1 16 CYS QB 1 44 HIS HD2 . . 3.470 3.059 2.772 3.282 . 0 0 "[ . 1 . 2]" 1
2120 1 17 LYS HA 1 17 LYS QG . . 3.740 3.149 2.916 3.261 . 0 0 "[ . 1 . 2]" 1
2121 1 17 LYS HA 1 17 LYS QD . . 3.430 2.123 1.958 3.390 . 0 0 "[ . 1 . 2]" 1
2122 1 17 LYS HA 1 17 LYS QE . . 3.890 3.134 1.996 3.910 0.020 15 0 "[ . 1 . 2]" 1
2123 1 17 LYS HB2 1 17 LYS QE . . 4.340 3.803 3.561 4.333 . 0 0 "[ . 1 . 2]" 1
2124 1 17 LYS HB2 1 30 SER QB . . 4.870 3.881 3.253 4.848 . 0 0 "[ . 1 . 2]" 1
2125 1 17 LYS HB2 1 63 GLU QB . . 3.640 2.920 2.457 3.206 . 0 0 "[ . 1 . 2]" 1
2126 1 17 LYS HB2 1 63 GLU QG . . 5.340 4.803 3.978 5.176 . 0 0 "[ . 1 . 2]" 1
2127 1 17 LYS QE 1 17 LYS QG . . 3.330 2.320 2.001 2.734 . 0 0 "[ . 1 . 2]" 1
2128 1 17 LYS QG 1 62 TRP HE1 . . 3.870 3.578 3.052 3.864 . 0 0 "[ . 1 . 2]" 1
2129 1 17 LYS QG 1 62 TRP HZ2 . . 3.970 3.664 3.286 3.959 . 0 0 "[ . 1 . 2]" 1
2130 1 17 LYS QD 1 30 SER QB . . 5.080 3.120 1.979 4.077 . 0 0 "[ . 1 . 2]" 1
2131 1 18 TRP H 1 31 CYS QB . . 3.810 2.200 1.885 2.740 . 0 0 "[ . 1 . 2]" 1
2132 1 18 TRP HB3 1 31 CYS QB . . 4.340 2.010 1.912 2.176 . 0 0 "[ . 1 . 2]" 1
2133 1 18 TRP HH2 1 60 CYS QB . . 5.030 2.310 2.119 2.688 . 0 0 "[ . 1 . 2]" 1
2134 1 19 ILE HA 1 23 GLN QE . . 4.380 3.126 2.542 3.621 . 0 0 "[ . 1 . 2]" 1
2135 1 19 ILE MG 1 30 SER QB . . 4.810 4.512 3.884 4.814 0.004 15 0 "[ . 1 . 2]" 1
2136 1 19 ILE HG12 1 30 SER QB . . 3.680 2.674 2.055 3.158 . 0 0 "[ . 1 . 2]" 1
2137 1 19 ILE HG13 1 30 SER QB . . 3.870 3.280 2.318 3.749 . 0 0 "[ . 1 . 2]" 1
2138 1 19 ILE HG13 1 63 GLU QB . . 3.610 2.073 1.942 2.389 . 0 0 "[ . 1 . 2]" 1
2139 1 19 ILE MD 1 30 SER QB . . 3.670 2.949 2.375 3.381 . 0 0 "[ . 1 . 2]" 1
2140 1 19 ILE MD 1 63 GLU QB . . 3.560 2.108 1.886 2.383 . 0 0 "[ . 1 . 2]" 1
2141 1 19 ILE MD 1 63 GLU QG . . 3.250 2.068 1.780 2.912 . 0 0 "[ . 1 . 2]" 1
2142 1 20 ASP HA 1 21 GLU QG . . 3.850 3.546 3.350 3.752 . 0 0 "[ . 1 . 2]" 1
2143 1 20 ASP QB 1 23 GLN QE . . 3.900 3.679 3.216 3.909 0.009 15 0 "[ . 1 . 2]" 1
2144 1 21 GLU H 1 21 GLU QB . . 3.290 2.644 2.475 2.810 . 0 0 "[ . 1 . 2]" 1
2145 1 21 GLU QB 1 22 ALA H . . 3.410 2.853 1.888 3.414 0.004 14 0 "[ . 1 . 2]" 1
2146 1 21 GLU QB 1 22 ALA HA . . 4.400 4.026 3.847 4.314 . 0 0 "[ . 1 . 2]" 1
2147 1 21 GLU QB 1 61 TYR QE . . 4.580 4.138 3.676 4.582 0.002 14 0 "[ . 1 . 2]" 1
2148 1 21 GLU QG 1 22 ALA H . . 4.030 3.463 1.899 4.023 . 0 0 "[ . 1 . 2]" 1
2149 1 21 GLU QG 1 61 TYR HA . . 5.340 4.797 4.212 5.328 . 0 0 "[ . 1 . 2]" 1
2150 1 23 GLN H 1 23 GLN QE . . 4.120 3.690 3.257 4.136 0.016 15 0 "[ . 1 . 2]" 1
2151 1 23 GLN HG2 1 28 LYS QG . . 4.720 3.908 2.922 4.725 0.005 15 0 "[ . 1 . 2]" 1
2152 1 23 GLN HG2 1 28 LYS QD . . 4.620 3.017 2.035 4.616 . 0 0 "[ . 1 . 2]" 1
2153 1 23 GLN HG3 1 28 LYS QG . . 4.630 3.811 1.998 4.632 0.002 2 0 "[ . 1 . 2]" 1
2154 1 23 GLN HG3 1 28 LYS QD . . 4.790 3.481 2.282 4.670 . 0 0 "[ . 1 . 2]" 1
2155 1 23 GLN QE 1 28 LYS HA . . 3.810 2.697 2.169 3.279 . 0 0 "[ . 1 . 2]" 1
2156 1 23 GLN QE 1 28 LYS HB2 . . 4.260 3.685 3.361 4.281 0.021 15 0 "[ . 1 . 2]" 1
2157 1 23 GLN QE 1 28 LYS QD . . 4.170 2.355 1.837 3.698 . 0 0 "[ . 1 . 2]" 1
2158 1 23 GLN QE 1 28 LYS QE . . 4.660 3.230 1.874 4.510 . 0 0 "[ . 1 . 2]" 1
2159 1 23 GLN QE 1 29 LYS H . . 3.600 2.648 1.793 3.497 . 0 0 "[ . 1 . 2]" 1
2160 1 23 GLN QE 1 29 LYS QG . . 4.970 4.214 2.065 4.943 . 0 0 "[ . 1 . 2]" 1
2161 1 24 LEU HA 1 24 LEU QD . . 2.860 2.268 1.866 2.857 . 0 0 "[ . 1 . 2]" 1
2162 1 24 LEU QB 1 24 LEU QD . . 2.570 1.907 1.795 2.019 . 0 0 "[ . 1 . 2]" 1
2163 1 24 LEU QB 1 25 SER H . . 3.610 3.399 3.050 3.615 0.005 15 0 "[ . 1 . 2]" 1
2164 1 24 LEU QD 1 25 SER H . . 5.360 4.220 3.782 4.500 . 0 0 "[ . 1 . 2]" 1
2165 1 25 SER H 1 25 SER QB . . 3.180 2.744 2.371 3.170 . 0 0 "[ . 1 . 2]" 1
2166 1 25 SER QB 1 26 ARG H . . 3.420 3.075 2.259 3.433 0.013 2 0 "[ . 1 . 2]" 1
2167 1 25 SER QB 1 29 LYS H . . 4.560 3.935 3.054 4.571 0.011 6 0 "[ . 1 . 2]" 1
2168 1 25 SER QB 1 29 LYS QG . . 3.720 2.849 2.327 3.583 . 0 0 "[ . 1 . 2]" 1
2169 1 26 ARG H 1 26 ARG QB . . 3.290 2.627 2.414 2.760 . 0 0 "[ . 1 . 2]" 1
2170 1 26 ARG HA 1 26 ARG QG . . 3.500 2.544 2.147 2.781 . 0 0 "[ . 1 . 2]" 1
2171 1 26 ARG HA 1 26 ARG QD . . 3.470 2.517 1.965 3.031 . 0 0 "[ . 1 . 2]" 1
2172 1 26 ARG HA 1 27 PRO QB . . 4.000 3.853 3.789 3.990 . 0 0 "[ . 1 . 2]" 1
2173 1 26 ARG HA 1 27 PRO QD . . 4.360 3.998 3.986 4.022 . 0 0 "[ . 1 . 2]" 1
2174 1 26 ARG QB 1 26 ARG QD . . 2.900 2.293 2.012 2.786 . 0 0 "[ . 1 . 2]" 1
2175 1 26 ARG QG 1 27 PRO HA . . 3.900 2.541 1.980 3.611 . 0 0 "[ . 1 . 2]" 1
2176 1 28 LYS H 1 28 LYS QG . . 3.050 2.007 1.829 2.315 . 0 0 "[ . 1 . 2]" 1
2177 1 28 LYS H 1 28 LYS QD . . 4.460 3.759 2.454 4.203 . 0 0 "[ . 1 . 2]" 1
2178 1 28 LYS HA 1 28 LYS QG . . 3.570 2.634 2.309 3.103 . 0 0 "[ . 1 . 2]" 1
2179 1 28 LYS QE 1 28 LYS QG . . 3.280 2.337 2.011 2.986 . 0 0 "[ . 1 . 2]" 1
2180 1 28 LYS QG 1 29 LYS H . . 4.690 4.458 4.162 4.670 . 0 0 "[ . 1 . 2]" 1
2181 1 29 LYS H 1 29 LYS QB . . 3.410 2.790 2.474 3.206 . 0 0 "[ . 1 . 2]" 1
2182 1 29 LYS QB 1 29 LYS QE . . 4.240 2.613 1.899 3.818 . 0 0 "[ . 1 . 2]" 1
2183 1 30 SER HA 1 31 CYS QB . . 4.560 4.170 4.096 4.297 . 0 0 "[ . 1 . 2]" 1
2184 1 30 SER QB 1 31 CYS H . . 3.640 2.832 2.397 3.301 . 0 0 "[ . 1 . 2]" 1
2185 1 31 CYS QB 1 49 HIS HE1 . . 4.390 2.470 2.118 2.874 . 0 0 "[ . 1 . 2]" 1
2186 1 33 ARG HA 1 33 ARG QD . . 3.750 3.045 2.029 3.739 . 0 0 "[ . 1 . 2]" 1
2187 1 33 ARG QB 1 34 THR H . . 3.440 3.157 2.405 3.460 0.020 20 0 "[ . 1 . 2]" 1
2188 1 33 ARG QB 1 35 PHE QE . . 4.470 3.130 2.492 3.766 . 0 0 "[ . 1 . 2]" 1
2189 1 33 ARG QB 1 35 PHE HZ . . 4.140 3.294 2.585 4.060 . 0 0 "[ . 1 . 2]" 1
2190 1 33 ARG QD 1 34 THR H . . 4.510 3.273 1.950 4.143 . 0 0 "[ . 1 . 2]" 1
2191 1 33 ARG QD 1 35 PHE HZ . . 4.350 3.319 2.304 4.331 . 0 0 "[ . 1 . 2]" 1
2192 1 33 ARG QD 1 44 HIS HE1 . . 4.550 3.046 2.011 4.208 . 0 0 "[ . 1 . 2]" 1
2193 1 35 PHE HB2 1 41 LEU QB . . 4.490 2.938 2.643 3.354 . 0 0 "[ . 1 . 2]" 1
2194 1 35 PHE QD 1 44 HIS QB . . 4.950 3.924 3.436 4.377 . 0 0 "[ . 1 . 2]" 1
2195 1 35 PHE HZ 1 44 HIS QB . . 4.350 2.442 1.975 3.113 . 0 0 "[ . 1 . 2]" 1
2196 1 36 SER H 1 36 SER QB . . 3.660 2.489 2.249 2.795 . 0 0 "[ . 1 . 2]" 1
2197 1 36 SER QB 1 37 THR MG . . 3.380 2.823 2.236 3.370 . 0 0 "[ . 1 . 2]" 1
2198 1 37 THR HB 1 38 MET QB . . 4.880 4.153 3.889 4.338 . 0 0 "[ . 1 . 2]" 1
2199 1 38 MET HA 1 41 LEU QB . . 3.570 2.782 2.441 3.109 . 0 0 "[ . 1 . 2]" 1
2200 1 38 MET QB 1 39 HIS H . . 3.490 2.318 2.210 2.604 . 0 0 "[ . 1 . 2]" 1
2201 1 38 MET HG3 1 41 LEU QB . . 5.340 4.305 3.563 4.794 . 0 0 "[ . 1 . 2]" 1
2202 1 39 HIS QB 1 40 GLU H . . 3.490 2.586 2.374 2.721 . 0 0 "[ . 1 . 2]" 1
2203 1 39 HIS QB 1 40 GLU HA . . 4.910 3.927 3.805 4.383 . 0 0 "[ . 1 . 2]" 1
2204 1 39 HIS QB 1 40 GLU QB . . 4.840 4.388 4.278 4.499 . 0 0 "[ . 1 . 2]" 1
2205 1 39 HIS QB 1 40 GLU QG . . 4.580 3.503 3.174 3.967 . 0 0 "[ . 1 . 2]" 1
2206 1 41 LEU H 1 41 LEU QB . . 3.250 2.180 2.134 2.231 . 0 0 "[ . 1 . 2]" 1
2207 1 41 LEU HA 1 44 HIS QB . . 4.350 2.695 2.525 2.844 . 0 0 "[ . 1 . 2]" 1
2208 1 41 LEU QB 1 41 LEU MD1 . . 3.050 2.291 2.147 2.428 . 0 0 "[ . 1 . 2]" 1
2209 1 41 LEU QB 1 42 VAL H . . 3.610 2.515 2.238 2.990 . 0 0 "[ . 1 . 2]" 1
2210 1 41 LEU MD1 1 44 HIS QB . . 4.580 3.090 2.710 3.587 . 0 0 "[ . 1 . 2]" 1
2211 1 43 THR H 1 44 HIS QB . . 4.890 4.536 4.466 4.598 . 0 0 "[ . 1 . 2]" 1
2212 1 43 THR MG 1 44 HIS QB . . 4.930 4.185 3.689 4.408 . 0 0 "[ . 1 . 2]" 1
2213 1 44 HIS QB 1 45 VAL H . . 3.490 2.274 2.250 2.358 . 0 0 "[ . 1 . 2]" 1
2214 1 44 HIS QB 1 48 GLU HB2 . . 4.320 3.029 2.991 3.046 . 0 0 "[ . 1 . 2]" 1
2215 1 47 MET ME 1 52 GLY QA . . 3.900 3.448 3.123 3.910 0.010 1 0 "[ . 1 . 2]" 1
2216 1 50 VAL MG1 1 58 HIS QB . . 4.180 2.164 1.856 2.737 . 0 0 "[ . 1 . 2]" 1
2217 1 50 VAL MG1 1 75 LYS QD . . 3.640 3.175 2.729 3.641 0.001 4 0 "[ . 1 . 2]" 1
2218 1 50 VAL MG1 1 75 LYS QE . . 3.890 3.475 2.768 3.893 0.003 1 0 "[ . 1 . 2]" 1
2219 1 51 GLY QA 1 55 GLN QB . . 3.810 3.388 2.434 3.773 . 0 0 "[ . 1 . 2]" 1
2220 1 51 GLY QA 1 55 GLN QG . . 3.760 2.457 2.020 3.650 . 0 0 "[ . 1 . 2]" 1
2221 1 52 GLY H 1 53 PRO QD . . 4.180 4.074 3.982 4.160 . 0 0 "[ . 1 . 2]" 1
2222 1 52 GLY H 1 55 GLN QB . . 4.780 3.824 2.734 4.638 . 0 0 "[ . 1 . 2]" 1
2223 1 52 GLY H 1 55 GLN QG . . 5.020 3.350 2.381 4.927 . 0 0 "[ . 1 . 2]" 1
2224 1 52 GLY QA 1 53 PRO QG . . 4.060 3.669 3.659 3.682 . 0 0 "[ . 1 . 2]" 1
2225 1 52 GLY QA 1 53 PRO QD . . 2.780 1.942 1.909 1.982 . 0 0 "[ . 1 . 2]" 1
2226 1 53 PRO HA 1 75 LYS QE . . 3.750 2.336 1.918 3.345 . 0 0 "[ . 1 . 2]" 1
2227 1 53 PRO QB 1 54 GLU H . . 4.090 3.571 2.827 3.731 . 0 0 "[ . 1 . 2]" 1
2228 1 53 PRO QD 1 54 GLU H . . 4.470 2.818 2.644 2.963 . 0 0 "[ . 1 . 2]" 1
2229 1 54 GLU H 1 54 GLU QB . . 3.510 2.396 2.165 3.020 . 0 0 "[ . 1 . 2]" 1
2230 1 54 GLU HA 1 54 GLU QG . . 3.340 2.767 2.322 3.339 . 0 0 "[ . 1 . 2]" 1
2231 1 55 GLN HA 1 55 GLN QG . . 3.230 2.504 2.146 2.878 . 0 0 "[ . 1 . 2]" 1
2232 1 55 GLN QB 1 55 GLN QE . . 3.470 2.324 1.838 3.441 . 0 0 "[ . 1 . 2]" 1
2233 1 57 ASN H 1 57 ASN QB . . 3.680 2.369 2.143 2.956 . 0 0 "[ . 1 . 2]" 1
2234 1 57 ASN H 1 57 ASN QD . . 4.950 4.431 3.755 4.752 . 0 0 "[ . 1 . 2]" 1
2235 1 57 ASN QD 1 59 VAL HB . . 4.840 4.032 2.839 4.713 . 0 0 "[ . 1 . 2]" 1
2236 1 57 ASN QD 1 59 VAL MG2 . . 3.820 2.246 1.796 2.948 . 0 0 "[ . 1 . 2]" 1
2237 1 58 HIS QB 1 75 LYS QD . . 4.300 3.368 2.303 4.287 . 0 0 "[ . 1 . 2]" 1
2238 1 58 HIS HE1 1 75 LYS QD . . 4.770 3.351 2.356 4.617 . 0 0 "[ . 1 . 2]" 1
2239 1 58 HIS HE1 1 75 LYS QE . . 4.490 3.845 2.369 4.491 0.001 3 0 "[ . 1 . 2]" 1
2240 1 59 VAL HA 1 60 CYS QB . . 4.400 3.977 3.947 4.031 . 0 0 "[ . 1 . 2]" 1
2241 1 59 VAL MG1 1 69 GLY QA . . 3.270 2.386 1.806 2.798 . 0 0 "[ . 1 . 2]" 1
2242 1 59 VAL MG2 1 71 SER QB . . 3.160 2.501 1.992 3.137 . 0 0 "[ . 1 . 2]" 1
2243 1 60 CYS H 1 60 CYS QB . . 3.670 2.262 2.136 2.316 . 0 0 "[ . 1 . 2]" 1
2244 1 60 CYS QB 1 78 LEU HG . . 4.950 4.059 3.854 4.521 . 0 0 "[ . 1 . 2]" 1
2245 1 60 CYS QB 1 78 LEU MD1 . . 2.910 2.069 1.892 2.268 . 0 0 "[ . 1 . 2]" 1
2246 1 60 CYS QB 1 82 ILE HG12 . . 3.970 3.141 2.957 3.307 . 0 0 "[ . 1 . 2]" 1
2247 1 60 CYS QB 1 82 ILE HG13 . . 4.980 4.324 4.124 4.472 . 0 0 "[ . 1 . 2]" 1
2248 1 60 CYS QB 1 85 HIS HD2 . . 4.910 4.176 4.003 4.341 . 0 0 "[ . 1 . 2]" 1
2249 1 61 TYR HA 1 62 TRP QB . . 4.690 4.173 4.169 4.175 . 0 0 "[ . 1 . 2]" 1
2250 1 61 TYR HA 1 65 CYS QB . . 4.850 3.397 2.830 3.499 . 0 0 "[ . 1 . 2]" 1
2251 1 61 TYR HA 1 69 GLY QA . . 4.320 3.574 3.005 4.324 0.004 18 0 "[ . 1 . 2]" 1
2252 1 61 TYR QD 1 69 GLY QA . . 3.950 3.161 2.531 3.919 . 0 0 "[ . 1 . 2]" 1
2253 1 61 TYR QE 1 69 GLY QA . . 4.140 3.360 1.876 4.051 . 0 0 "[ . 1 . 2]" 1
2254 1 62 TRP H 1 65 CYS QB . . 3.850 1.802 1.706 1.825 . 0 0 "[ . 1 . 2]" 1
2255 1 62 TRP QB 1 62 TRP HE3 . . 3.670 2.643 2.574 2.733 . 0 0 "[ . 1 . 2]" 1
2256 1 62 TRP QB 1 63 GLU H . . 4.270 3.387 3.362 3.399 . 0 0 "[ . 1 . 2]" 1
2257 1 62 TRP QB 1 65 CYS H . . 4.100 2.046 1.881 2.799 . 0 0 "[ . 1 . 2]" 1
2258 1 62 TRP QB 1 65 CYS QB . . 3.970 1.836 1.778 1.858 . 0 0 "[ . 1 . 2]" 1
2259 1 62 TRP QB 1 85 HIS HD2 . . 4.640 3.945 3.864 4.005 . 0 0 "[ . 1 . 2]" 1
2260 1 62 TRP QB 1 85 HIS HE1 . . 5.340 3.004 2.703 3.327 . 0 0 "[ . 1 . 2]" 1
2261 1 62 TRP HD1 1 63 GLU QB . . 3.910 3.380 3.002 3.717 . 0 0 "[ . 1 . 2]" 1
2262 1 62 TRP HD1 1 63 GLU QG . . 5.340 4.911 3.442 5.270 . 0 0 "[ . 1 . 2]" 1
2263 1 62 TRP HE1 1 63 GLU QB . . 4.500 4.279 4.102 4.495 . 0 0 "[ . 1 . 2]" 1
2264 1 63 GLU H 1 63 GLU QB . . 3.260 2.247 2.059 2.279 . 0 0 "[ . 1 . 2]" 1
2265 1 63 GLU H 1 63 GLU QG . . 4.050 3.969 3.542 4.051 0.001 15 0 "[ . 1 . 2]" 1
2266 1 63 GLU HA 1 63 GLU QG . . 3.280 2.575 2.394 3.100 . 0 0 "[ . 1 . 2]" 1
2267 1 63 GLU QG 1 64 GLU H . . 4.300 3.867 2.801 4.289 . 0 0 "[ . 1 . 2]" 1
2268 1 64 GLU H 1 64 GLU QB . . 3.620 2.952 2.678 3.244 . 0 0 "[ . 1 . 2]" 1
2269 1 65 CYS H 1 66 PRO QD . . 4.430 4.259 4.235 4.330 . 0 0 "[ . 1 . 2]" 1
2270 1 65 CYS QB 1 66 PRO QD . . 4.110 3.304 3.244 3.321 . 0 0 "[ . 1 . 2]" 1
2271 1 65 CYS QB 1 67 ARG H . . 4.320 3.243 2.801 3.614 . 0 0 "[ . 1 . 2]" 1
2272 1 65 CYS QB 1 67 ARG QB . . 5.110 3.793 3.419 4.608 . 0 0 "[ . 1 . 2]" 1
2273 1 65 CYS QB 1 68 GLU H . . 4.800 2.564 2.242 3.249 . 0 0 "[ . 1 . 2]" 1
2274 1 65 CYS QB 1 85 HIS HE1 . . 4.740 3.562 2.904 3.942 . 0 0 "[ . 1 . 2]" 1
2275 1 66 PRO HA 1 68 GLU QG . . 4.140 3.850 3.162 4.151 0.011 9 0 "[ . 1 . 2]" 1
2276 1 66 PRO QB 1 67 ARG H . . 4.020 3.392 3.145 3.655 . 0 0 "[ . 1 . 2]" 1
2277 1 66 PRO QD 1 67 ARG H . . 3.830 2.657 2.603 2.856 . 0 0 "[ . 1 . 2]" 1
2278 1 66 PRO QD 1 67 ARG QG . . 5.150 3.565 3.029 4.652 . 0 0 "[ . 1 . 2]" 1
2279 1 66 PRO QD 1 81 HIS HE1 . . 3.560 2.458 2.364 2.500 . 0 0 "[ . 1 . 2]" 1
2280 1 66 PRO QD 1 84 VAL MG2 . . 4.330 3.607 3.262 3.858 . 0 0 "[ . 1 . 2]" 1
2281 1 66 PRO QD 1 85 HIS HE1 . . 3.750 2.022 1.933 2.476 . 0 0 "[ . 1 . 2]" 1
2282 1 67 ARG H 1 67 ARG QB . . 3.160 2.452 2.245 2.681 . 0 0 "[ . 1 . 2]" 1
2283 1 67 ARG H 1 67 ARG QG . . 3.370 2.438 1.865 3.396 0.026 6 0 "[ . 1 . 2]" 1
2284 1 67 ARG HA 1 67 ARG QG . . 3.300 2.772 2.177 3.335 0.035 20 0 "[ . 1 . 2]" 1
2285 1 67 ARG HA 1 67 ARG QD . . 4.040 2.978 2.011 4.083 0.043 20 0 "[ . 1 . 2]" 1
2286 1 67 ARG HA 1 70 LYS QB . . 4.380 3.603 2.209 4.141 . 0 0 "[ . 1 . 2]" 1
2287 1 67 ARG QB 1 68 GLU H . . 3.980 3.016 2.650 3.796 . 0 0 "[ . 1 . 2]" 1
2288 1 67 ARG QB 1 69 GLY H . . 4.440 2.834 2.346 3.563 . 0 0 "[ . 1 . 2]" 1
2289 1 67 ARG QB 1 70 LYS H . . 3.430 2.602 2.019 3.244 . 0 0 "[ . 1 . 2]" 1
2290 1 67 ARG QG 1 68 GLU H . . 4.530 4.113 2.829 4.528 . 0 0 "[ . 1 . 2]" 1
2291 1 67 ARG QG 1 69 GLY H . . 5.250 4.573 2.934 5.002 . 0 0 "[ . 1 . 2]" 1
2292 1 67 ARG QG 1 72 PHE QE . . 5.340 3.614 2.413 4.628 . 0 0 "[ . 1 . 2]" 1
2293 1 67 ARG QG 1 81 HIS HE1 . . 4.170 2.816 1.993 3.516 . 0 0 "[ . 1 . 2]" 1
2294 1 67 ARG QD 1 72 PHE QE . . 4.000 3.526 2.027 4.019 0.019 20 0 "[ . 1 . 2]" 1
2295 1 67 ARG QD 1 72 PHE HZ . . 4.410 3.149 1.907 4.425 0.015 20 0 "[ . 1 . 2]" 1
2296 1 68 GLU H 1 68 GLU QG . . 3.160 2.752 2.529 2.885 . 0 0 "[ . 1 . 2]" 1
2297 1 68 GLU H 1 70 LYS QB . . 5.340 5.084 4.627 5.345 0.005 4 0 "[ . 1 . 2]" 1
2298 1 68 GLU HA 1 68 GLU QG . . 3.170 2.599 2.346 3.119 . 0 0 "[ . 1 . 2]" 1
2299 1 68 GLU QB 1 69 GLY H . . 4.450 3.819 3.649 3.932 . 0 0 "[ . 1 . 2]" 1
2300 1 68 GLU QB 1 70 LYS H . . 5.220 4.300 3.193 4.860 . 0 0 "[ . 1 . 2]" 1
2301 1 69 GLY H 1 70 LYS QB . . 5.340 4.346 3.944 4.581 . 0 0 "[ . 1 . 2]" 1
2302 1 70 LYS H 1 70 LYS QB . . 2.960 2.261 2.107 2.357 . 0 0 "[ . 1 . 2]" 1
2303 1 70 LYS H 1 70 LYS QG . . 3.740 3.337 2.975 3.804 0.064 20 0 "[ . 1 . 2]" 1
2304 1 70 LYS HA 1 70 LYS QG . . 3.000 2.436 2.110 2.715 . 0 0 "[ . 1 . 2]" 1
2305 1 70 LYS QB 1 70 LYS QE . . 4.530 2.816 2.024 3.750 . 0 0 "[ . 1 . 2]" 1
2306 1 70 LYS QE 1 70 LYS QG . . 3.220 2.333 2.087 2.928 . 0 0 "[ . 1 . 2]" 1
2307 1 71 SER QB 1 72 PHE H . . 3.670 2.750 2.109 3.441 . 0 0 "[ . 1 . 2]" 1
2308 1 72 PHE H 1 72 PHE QB . . 3.700 2.469 2.287 2.846 . 0 0 "[ . 1 . 2]" 1
2309 1 72 PHE QB 1 74 ALA H . . 3.670 2.390 2.129 2.745 . 0 0 "[ . 1 . 2]" 1
2310 1 72 PHE QB 1 77 LYS H . . 5.220 4.215 4.051 4.559 . 0 0 "[ . 1 . 2]" 1
2311 1 72 PHE QB 1 77 LYS QB . . 2.650 2.016 1.725 2.493 . 0 0 "[ . 1 . 2]" 1
2312 1 72 PHE QE 1 77 LYS QB . . 5.340 3.831 3.529 4.450 . 0 0 "[ . 1 . 2]" 1
2313 1 72 PHE QE 1 81 HIS QB . . 3.780 2.877 2.553 3.524 . 0 0 "[ . 1 . 2]" 1
2314 1 72 PHE HZ 1 81 HIS QB . . 4.650 2.438 1.972 3.989 . 0 0 "[ . 1 . 2]" 1
2315 1 73 LYS QB 1 73 LYS QD . . 3.360 2.313 2.041 2.821 . 0 0 "[ . 1 . 2]" 1
2316 1 73 LYS QB 1 73 LYS QE . . 2.960 2.297 1.942 2.949 . 0 0 "[ . 1 . 2]" 1
2317 1 73 LYS QB 1 74 ALA H . . 4.150 3.412 2.950 3.893 . 0 0 "[ . 1 . 2]" 1
2318 1 74 ALA H 1 77 LYS QB . . 3.840 2.690 2.263 3.400 . 0 0 "[ . 1 . 2]" 1
2319 1 74 ALA MB 1 77 LYS QB . . 3.470 2.883 2.072 3.322 . 0 0 "[ . 1 . 2]" 1
2320 1 74 ALA MB 1 77 LYS QD . . 4.670 3.330 2.846 4.265 . 0 0 "[ . 1 . 2]" 1
2321 1 75 LYS HA 1 75 LYS QD . . 4.720 2.257 1.934 3.170 . 0 0 "[ . 1 . 2]" 1
2322 1 75 LYS HA 1 78 LEU QB . . 4.660 3.229 2.687 3.738 . 0 0 "[ . 1 . 2]" 1
2323 1 75 LYS QB 1 75 LYS QE . . 3.520 2.792 2.021 3.460 . 0 0 "[ . 1 . 2]" 1
2324 1 76 TYR QD 1 80 ASN QD . . 4.510 3.550 2.449 4.427 . 0 0 "[ . 1 . 2]" 1
2325 1 76 TYR QE 1 77 LYS QD . . 4.280 2.396 1.813 3.633 . 0 0 "[ . 1 . 2]" 1
2326 1 77 LYS H 1 77 LYS QD . . 4.400 3.630 3.147 4.372 . 0 0 "[ . 1 . 2]" 1
2327 1 77 LYS HA 1 77 LYS QD . . 3.620 2.275 1.934 3.258 . 0 0 "[ . 1 . 2]" 1
2328 1 77 LYS QB 1 78 LEU H . . 4.070 2.620 2.565 2.800 . 0 0 "[ . 1 . 2]" 1
2329 1 77 LYS QB 1 78 LEU HA . . 5.110 3.913 3.857 3.977 . 0 0 "[ . 1 . 2]" 1
2330 1 78 LEU H 1 78 LEU QB . . 3.690 2.179 2.125 2.253 . 0 0 "[ . 1 . 2]" 1
2331 1 78 LEU HA 1 81 HIS QB . . 3.580 2.443 2.304 2.687 . 0 0 "[ . 1 . 2]" 1
2332 1 78 LEU QB 1 78 LEU MD1 . . 3.270 2.357 2.176 2.456 . 0 0 "[ . 1 . 2]" 1
2333 1 78 LEU QB 1 79 VAL H . . 3.940 2.591 2.308 2.807 . 0 0 "[ . 1 . 2]" 1
2334 1 78 LEU QB 1 80 ASN H . . 5.340 4.827 4.448 5.242 . 0 0 "[ . 1 . 2]" 1
2335 1 80 ASN H 1 80 ASN QD . . 4.660 3.521 3.048 4.171 . 0 0 "[ . 1 . 2]" 1
2336 1 80 ASN HA 1 83 ARG QG . . 3.400 2.092 1.879 2.824 . 0 0 "[ . 1 . 2]" 1
2337 1 80 ASN HA 1 83 ARG QD . . 3.790 3.330 1.864 3.797 0.007 14 0 "[ . 1 . 2]" 1
2338 1 80 ASN QB 1 83 ARG QG . . 4.640 3.453 3.070 3.824 . 0 0 "[ . 1 . 2]" 1
2339 1 81 HIS QB 1 82 ILE HG12 . . 5.110 4.083 3.947 4.272 . 0 0 "[ . 1 . 2]" 1
2340 1 83 ARG H 1 83 ARG QB . . 3.220 2.567 2.349 2.667 . 0 0 "[ . 1 . 2]" 1
2341 1 83 ARG H 1 83 ARG QG . . 3.010 2.057 1.859 3.289 0.279 17 0 "[ . 1 . 2]" 1
2342 1 83 ARG H 1 83 ARG QD . . 3.890 3.070 1.744 3.670 . 0 0 "[ . 1 . 2]" 1
2343 1 83 ARG HA 1 83 ARG QG . . 3.560 2.970 2.558 3.168 . 0 0 "[ . 1 . 2]" 1
2344 1 83 ARG HA 1 83 ARG QD . . 3.270 2.470 2.084 3.177 . 0 0 "[ . 1 . 2]" 1
2345 1 83 ARG QB 1 83 ARG QD . . 3.180 2.517 2.045 2.889 . 0 0 "[ . 1 . 2]" 1
2346 1 83 ARG QB 1 84 VAL H . . 3.500 2.885 2.623 3.119 . 0 0 "[ . 1 . 2]" 1
2347 1 83 ARG QG 1 84 VAL H . . 4.950 4.033 3.856 4.511 . 0 0 "[ . 1 . 2]" 1
2348 1 87 GLY QA 1 88 GLU H . . 3.110 2.800 2.563 2.920 . 0 0 "[ . 1 . 2]" 1
2349 1 88 GLU H 1 88 GLU QG . . 4.080 3.991 3.863 4.066 . 0 0 "[ . 1 . 2]" 1
2350 1 89 LYS H 1 89 LYS QB . . 3.370 2.710 2.181 2.948 . 0 0 "[ . 1 . 2]" 1
2351 1 89 LYS H 1 89 LYS QG . . 4.150 2.663 1.888 3.938 . 0 0 "[ . 1 . 2]" 1
2352 1 89 LYS H 1 89 LYS QD . . 4.490 3.390 2.214 3.851 . 0 0 "[ . 1 . 2]" 1
2353 1 89 LYS H 1 90 PRO QD . . 5.070 4.350 4.301 4.380 . 0 0 "[ . 1 . 2]" 1
2354 1 89 LYS HA 1 89 LYS QG . . 3.470 2.833 2.020 3.221 . 0 0 "[ . 1 . 2]" 1
2355 1 89 LYS HA 1 89 LYS QD . . 3.800 2.711 1.988 3.658 . 0 0 "[ . 1 . 2]" 1
2356 1 89 LYS HA 1 90 PRO QG . . 4.080 3.983 3.915 4.073 . 0 0 "[ . 1 . 2]" 1
2357 1 89 LYS QB 1 89 LYS QE . . 4.020 2.391 1.915 3.516 . 0 0 "[ . 1 . 2]" 1
2358 1 89 LYS QB 1 90 PRO QD . . 3.490 2.117 1.956 2.811 . 0 0 "[ . 1 . 2]" 1
2359 1 89 LYS QB 1 91 PHE H . . 4.880 3.312 2.993 4.394 . 0 0 "[ . 1 . 2]" 1
2360 1 89 LYS QB 1 92 PRO HA . . 5.230 4.270 3.932 5.058 . 0 0 "[ . 1 . 2]" 1
2361 1 89 LYS QB 1 101 ILE MG . . 2.970 1.899 1.779 2.061 . 0 0 "[ . 1 . 2]" 1
2362 1 89 LYS QB 1 101 ILE MD . . 3.830 3.293 2.674 3.653 . 0 0 "[ . 1 . 2]" 1
2363 1 89 LYS QB 1 102 PHE H . . 4.160 3.821 3.254 4.166 0.006 18 0 "[ . 1 . 2]" 1
2364 1 89 LYS QE 1 89 LYS QG . . 3.110 2.204 2.020 2.445 . 0 0 "[ . 1 . 2]" 1
2365 1 89 LYS QG 1 101 ILE MG . . 3.600 2.024 1.828 2.951 . 0 0 "[ . 1 . 2]" 1
2366 1 90 PRO QB 1 91 PHE H . . 3.600 2.741 1.843 2.818 . 0 0 "[ . 1 . 2]" 1
2367 1 90 PRO QG 1 91 PHE H . . 4.080 1.877 1.812 1.907 . 0 0 "[ . 1 . 2]" 1
2368 1 90 PRO QG 1 91 PHE QD . . 4.190 2.930 1.923 3.438 . 0 0 "[ . 1 . 2]" 1
2369 1 90 PRO QG 1 91 PHE QE . . 4.210 3.023 2.224 3.414 . 0 0 "[ . 1 . 2]" 1
2370 1 90 PRO QG 1 91 PHE HZ . . 4.790 3.889 3.744 4.788 . 0 0 "[ . 1 . 2]" 1
2371 1 90 PRO QD 1 91 PHE QD . . 4.840 4.461 3.766 4.836 . 0 0 "[ . 1 . 2]" 1
2372 1 90 PRO QD 1 103 ALA HA . . 3.470 2.226 1.805 3.002 . 0 0 "[ . 1 . 2]" 1
2373 1 90 PRO QD 1 103 ALA MB . . 3.970 3.377 2.852 3.878 . 0 0 "[ . 1 . 2]" 1
2374 1 91 PHE H 1 92 PRO QD . . 4.320 4.097 3.854 4.296 . 0 0 "[ . 1 . 2]" 1
2375 1 91 PHE HA 1 92 PRO QD . . 3.080 1.953 1.870 2.007 . 0 0 "[ . 1 . 2]" 1
2376 1 91 PHE HB2 1 92 PRO QD . . 4.630 2.898 2.624 3.390 . 0 0 "[ . 1 . 2]" 1
2377 1 91 PHE HB3 1 92 PRO QD . . 4.860 3.104 2.777 3.751 . 0 0 "[ . 1 . 2]" 1
2378 1 91 PHE QE 1 108 LEU QB . . 4.580 2.979 2.452 4.055 . 0 0 "[ . 1 . 2]" 1
2379 1 91 PHE HZ 1 105 SER QB . . 4.150 2.489 2.008 3.639 . 0 0 "[ . 1 . 2]" 1
2380 1 92 PRO QB 1 101 ILE HA . . 4.680 3.921 3.236 4.230 . 0 0 "[ . 1 . 2]" 1
2381 1 92 PRO QB 1 101 ILE MG . . 3.230 2.693 1.957 2.964 . 0 0 "[ . 1 . 2]" 1
2382 1 92 PRO QB 1 101 ILE HG12 . . 3.780 2.345 1.986 2.611 . 0 0 "[ . 1 . 2]" 1
2383 1 92 PRO QB 1 101 ILE HG13 . . 4.260 3.822 3.521 4.116 . 0 0 "[ . 1 . 2]" 1
2384 1 92 PRO QB 1 101 ILE MD . . 3.730 2.405 1.985 2.972 . 0 0 "[ . 1 . 2]" 1
2385 1 92 PRO QG 1 93 CYS H . . 4.640 3.635 3.592 3.764 . 0 0 "[ . 1 . 2]" 1
2386 1 92 PRO QD 1 101 ILE MG . . 3.990 3.421 3.153 3.676 . 0 0 "[ . 1 . 2]" 1
2387 1 93 CYS HB2 1 100 LYS QB . . 4.400 2.756 2.350 2.919 . 0 0 "[ . 1 . 2]" 1
2388 1 93 CYS HB3 1 100 LYS QB . . 4.170 3.208 2.834 3.329 . 0 0 "[ . 1 . 2]" 1
2389 1 94 PRO QG 1 95 PHE H . . 4.070 3.108 2.588 3.321 . 0 0 "[ . 1 . 2]" 1
2390 1 94 PRO QG 1 112 LYS QD . . 3.650 2.383 2.008 3.169 . 0 0 "[ . 1 . 2]" 1
2391 1 94 PRO QG 1 112 LYS QE . . 3.440 2.050 1.900 3.233 . 0 0 "[ . 1 . 2]" 1
2392 1 94 PRO QG 1 115 HIS HD2 . . 5.170 4.124 3.467 4.803 . 0 0 "[ . 1 . 2]" 1
2393 1 94 PRO HD2 1 112 LYS QD . . 4.310 2.777 2.183 3.152 . 0 0 "[ . 1 . 2]" 1
2394 1 94 PRO HD2 1 112 LYS QE . . 4.330 3.927 3.576 4.215 . 0 0 "[ . 1 . 2]" 1
2395 1 94 PRO HD3 1 112 LYS QD . . 4.630 2.360 1.991 2.775 . 0 0 "[ . 1 . 2]" 1
2396 1 94 PRO HD3 1 112 LYS QE . . 4.000 3.523 3.023 3.929 . 0 0 "[ . 1 . 2]" 1
2397 1 95 PHE H 1 98 CYS QB . . 4.350 3.631 3.452 3.778 . 0 0 "[ . 1 . 2]" 1
2398 1 95 PHE HB2 1 98 CYS QB . . 3.490 3.180 3.094 3.421 . 0 0 "[ . 1 . 2]" 1
2399 1 95 PHE HB3 1 98 CYS QB . . 3.150 1.814 1.779 1.915 . 0 0 "[ . 1 . 2]" 1
2400 1 95 PHE QD 1 98 CYS QB . . 3.620 2.691 2.528 3.055 . 0 0 "[ . 1 . 2]" 1
2401 1 95 PHE QE 1 120 PRO QG . . 4.040 3.644 2.587 4.041 0.001 16 0 "[ . 1 . 2]" 1
2402 1 95 PHE HZ 1 120 PRO QG . . 4.520 3.529 2.044 4.494 . 0 0 "[ . 1 . 2]" 1
2403 1 98 CYS H 1 99 GLY QA . . 4.260 3.890 3.696 4.263 0.003 6 0 "[ . 1 . 2]" 1
2404 1 98 CYS QB 1 99 GLY H . . 3.540 2.385 1.989 2.868 . 0 0 "[ . 1 . 2]" 1
2405 1 98 CYS QB 1 115 HIS HE1 . . 3.800 2.801 1.988 3.800 0.000 6 0 "[ . 1 . 2]" 1
2406 1 100 LYS H 1 100 LYS QB . . 3.010 2.266 2.218 2.325 . 0 0 "[ . 1 . 2]" 1
2407 1 100 LYS QB 1 100 LYS HD2 . . 3.560 3.138 3.068 3.241 . 0 0 "[ . 1 . 2]" 1
2408 1 100 LYS QB 1 100 LYS HD3 . . 3.570 2.189 2.154 2.334 . 0 0 "[ . 1 . 2]" 1
2409 1 100 LYS QB 1 101 ILE H . . 3.840 3.483 3.432 3.630 . 0 0 "[ . 1 . 2]" 1
2410 1 100 LYS QB 1 102 PHE QE . . 3.770 3.090 2.800 3.259 . 0 0 "[ . 1 . 2]" 1
2411 1 100 LYS QB 1 102 PHE HZ . . 3.930 3.484 3.347 3.735 . 0 0 "[ . 1 . 2]" 1
2412 1 100 LYS QB 1 111 HIS HE1 . . 4.350 3.876 3.500 4.329 . 0 0 "[ . 1 . 2]" 1
2413 1 102 PHE QB 1 103 ALA HA . . 5.000 4.474 4.256 4.649 . 0 0 "[ . 1 . 2]" 1
2414 1 102 PHE QB 1 104 ARG H . . 3.230 2.567 2.427 2.669 . 0 0 "[ . 1 . 2]" 1
2415 1 102 PHE QB 1 107 ASN H . . 5.040 4.287 3.978 4.616 . 0 0 "[ . 1 . 2]" 1
2416 1 102 PHE QB 1 107 ASN QB . . 4.650 2.252 1.985 2.584 . 0 0 "[ . 1 . 2]" 1
2417 1 102 PHE QB 1 108 LEU H . . 4.530 3.111 2.722 3.528 . 0 0 "[ . 1 . 2]" 1
2418 1 102 PHE QD 1 107 ASN QB . . 3.840 2.217 1.994 2.499 . 0 0 "[ . 1 . 2]" 1
2419 1 102 PHE QD 1 108 LEU QB . . 4.250 3.078 2.489 3.515 . 0 0 "[ . 1 . 2]" 1
2420 1 104 ARG H 1 104 ARG QB . . 3.320 2.488 2.308 2.897 . 0 0 "[ . 1 . 2]" 1
2421 1 104 ARG H 1 107 ASN QB . . 3.560 2.990 2.908 3.073 . 0 0 "[ . 1 . 2]" 1
2422 1 104 ARG QB 1 104 ARG QD . . 3.140 2.253 2.011 2.611 . 0 0 "[ . 1 . 2]" 1
2423 1 104 ARG QB 1 107 ASN H . . 3.380 2.436 2.200 2.720 . 0 0 "[ . 1 . 2]" 1
2424 1 104 ARG QB 1 107 ASN QB . . 3.630 2.065 1.911 2.378 . 0 0 "[ . 1 . 2]" 1
2425 1 104 ARG QB 1 108 LEU H . . 5.110 4.081 3.800 4.269 . 0 0 "[ . 1 . 2]" 1
2426 1 104 ARG QG 1 107 ASN QB . . 4.550 3.699 2.984 4.394 . 0 0 "[ . 1 . 2]" 1
2427 1 106 GLU HA 1 109 LYS QG . . 4.060 2.496 2.058 3.534 . 0 0 "[ . 1 . 2]" 1
2428 1 106 GLU QB 1 107 ASN H . . 3.460 2.882 2.487 3.461 0.001 1 0 "[ . 1 . 2]" 1
2429 1 107 ASN H 1 107 ASN QB . . 3.140 2.212 2.155 2.347 . 0 0 "[ . 1 . 2]" 1
2430 1 107 ASN HA 1 107 ASN QD . . 4.150 3.240 2.066 3.995 . 0 0 "[ . 1 . 2]" 1
2431 1 107 ASN QB 1 108 LEU H . . 3.520 2.623 2.391 2.879 . 0 0 "[ . 1 . 2]" 1
2432 1 107 ASN QB 1 108 LEU HA . . 4.390 3.850 3.773 3.986 . 0 0 "[ . 1 . 2]" 1
2433 1 107 ASN QB 1 110 ILE HB . . 5.340 4.797 4.617 4.899 . 0 0 "[ . 1 . 2]" 1
2434 1 108 LEU H 1 108 LEU QB . . 3.130 2.233 2.211 2.274 . 0 0 "[ . 1 . 2]" 1
2435 1 108 LEU H 1 109 LYS QG . . 5.180 4.273 3.610 4.613 . 0 0 "[ . 1 . 2]" 1
2436 1 108 LEU QB 1 108 LEU MD1 . . 2.900 2.446 2.362 2.531 . 0 0 "[ . 1 . 2]" 1
2437 1 108 LEU QB 1 108 LEU MD2 . . 2.960 2.069 1.971 2.100 . 0 0 "[ . 1 . 2]" 1
2438 1 108 LEU QB 1 109 LYS H . . 3.260 2.325 2.152 2.512 . 0 0 "[ . 1 . 2]" 1
2439 1 108 LEU HG 1 112 LYS QE . . 3.990 3.606 3.002 3.898 . 0 0 "[ . 1 . 2]" 1
2440 1 108 LEU MD1 1 112 LYS QD . . 3.540 2.241 1.711 2.605 . 0 0 "[ . 1 . 2]" 1
2441 1 108 LEU MD2 1 112 LYS QD . . 3.700 2.920 2.573 3.210 . 0 0 "[ . 1 . 2]" 1
2442 1 109 LYS H 1 109 LYS QG . . 3.170 2.472 1.887 2.884 . 0 0 "[ . 1 . 2]" 1
2443 1 109 LYS HA 1 112 LYS QD . . 3.420 2.331 1.992 2.827 . 0 0 "[ . 1 . 2]" 1
2444 1 109 LYS HA 1 112 LYS QE . . 3.980 3.483 2.564 3.977 . 0 0 "[ . 1 . 2]" 1
2445 1 109 LYS QE 1 109 LYS QG . . 3.230 2.296 2.107 2.633 . 0 0 "[ . 1 . 2]" 1
2446 1 109 LYS QG 1 110 ILE H . . 4.440 2.688 1.823 3.932 . 0 0 "[ . 1 . 2]" 1
2447 1 110 ILE HA 1 113 ARG QG . . 3.580 2.111 1.981 2.329 . 0 0 "[ . 1 . 2]" 1
2448 1 110 ILE MG 1 113 ARG QG . . 3.970 3.022 2.818 3.138 . 0 0 "[ . 1 . 2]" 1
2449 1 112 LYS H 1 112 LYS QD . . 4.130 3.349 2.982 3.554 . 0 0 "[ . 1 . 2]" 1
2450 1 112 LYS HA 1 112 LYS QD . . 4.080 4.041 3.894 4.089 0.009 1 0 "[ . 1 . 2]" 1
2451 1 112 LYS HA 1 112 LYS QE . . 5.230 4.375 4.226 4.536 . 0 0 "[ . 1 . 2]" 1
2452 1 112 LYS HA 1 115 HIS QB . . 4.080 3.149 2.481 3.644 . 0 0 "[ . 1 . 2]" 1
2453 1 113 ARG H 1 113 ARG QG . . 2.790 1.956 1.869 2.304 . 0 0 "[ . 1 . 2]" 1
2454 1 113 ARG QG 1 114 THR H . . 3.860 2.373 2.081 2.726 . 0 0 "[ . 1 . 2]" 1
2455 1 113 ARG QG 1 114 THR HA . . 5.040 3.637 3.315 3.790 . 0 0 "[ . 1 . 2]" 1
2456 1 113 ARG QG 1 114 THR MG . . 3.860 3.713 3.270 3.870 0.010 9 0 "[ . 1 . 2]" 1
2457 1 113 ARG QG 1 115 HIS H . . 5.340 4.365 4.037 4.541 . 0 0 "[ . 1 . 2]" 1
2458 1 115 HIS H 1 115 HIS QB . . 3.110 2.268 2.145 2.570 . 0 0 "[ . 1 . 2]" 1
2459 1 115 HIS QB 1 115 HIS HD2 . . 3.270 2.662 2.624 2.981 . 0 0 "[ . 1 . 2]" 1
2460 1 118 GLU HA 1 118 GLU QG . . 3.320 2.718 2.154 3.305 . 0 0 "[ . 1 . 2]" 1
2461 1 119 LYS H 1 119 LYS QG . . 4.580 2.747 1.890 3.864 . 0 0 "[ . 1 . 2]" 1
2462 1 119 LYS HA 1 119 LYS QG . . 3.600 2.906 2.174 3.459 . 0 0 "[ . 1 . 2]" 1
2463 1 119 LYS HA 1 119 LYS QD . . 3.970 2.666 1.896 3.688 . 0 0 "[ . 1 . 2]" 1
2464 1 119 LYS QB 1 121 PHE H . . 3.980 2.914 2.323 3.574 . 0 0 "[ . 1 . 2]" 1
2465 1 119 LYS QB 1 121 PHE HB2 . . 5.340 4.371 3.913 5.353 0.013 20 0 "[ . 1 . 2]" 1
2466 1 119 LYS QB 1 131 ARG HA . . 4.370 3.081 2.422 3.742 . 0 0 "[ . 1 . 2]" 1
2467 1 119 LYS QB 1 131 ARG QD . . 4.360 3.864 2.320 4.354 . 0 0 "[ . 1 . 2]" 1
2468 1 119 LYS QB 1 132 PHE H . . 3.560 2.715 1.874 3.561 0.001 10 0 "[ . 1 . 2]" 1
2469 1 119 LYS QE 1 119 LYS QG . . 2.880 2.269 2.100 2.544 . 0 0 "[ . 1 . 2]" 1
2470 1 120 PRO QG 1 121 PHE H . . 3.550 2.128 1.898 2.738 . 0 0 "[ . 1 . 2]" 1
2471 1 120 PRO QG 1 121 PHE QD . . 3.800 2.097 1.992 2.289 . 0 0 "[ . 1 . 2]" 1
2472 1 120 PRO QG 1 121 PHE QE . . 3.990 3.571 3.334 3.844 . 0 0 "[ . 1 . 2]" 1
2473 1 120 PRO QG 1 133 ALA HA . . 3.370 2.082 1.911 2.303 . 0 0 "[ . 1 . 2]" 1
2474 1 122 LYS H 1 122 LYS QG . . 4.260 3.962 3.350 4.129 . 0 0 "[ . 1 . 2]" 1
2475 1 122 LYS HA 1 122 LYS QG . . 3.210 2.527 2.264 3.008 . 0 0 "[ . 1 . 2]" 1
2476 1 122 LYS QB 1 122 LYS QE . . 3.740 2.533 1.980 3.639 . 0 0 "[ . 1 . 2]" 1
2477 1 122 LYS QB 1 123 CYS H . . 4.020 3.633 3.415 3.750 . 0 0 "[ . 1 . 2]" 1
2478 1 122 LYS QE 1 122 LYS QG . . 2.530 2.293 2.054 2.522 . 0 0 "[ . 1 . 2]" 1
2479 1 123 CYS HA 1 124 GLU QB . . 4.980 4.551 4.417 4.675 . 0 0 "[ . 1 . 2]" 1
2480 1 124 GLU H 1 124 GLU QB . . 3.220 2.659 2.430 2.803 . 0 0 "[ . 1 . 2]" 1
2481 1 124 GLU H 1 124 GLU QG . . 3.340 2.046 1.900 2.451 . 0 0 "[ . 1 . 2]" 1
2482 1 124 GLU HA 1 124 GLU QG . . 3.340 2.863 2.354 3.336 . 0 0 "[ . 1 . 2]" 1
2483 1 124 GLU QB 1 125 PHE H . . 4.160 3.475 3.043 3.794 . 0 0 "[ . 1 . 2]" 1
2484 1 124 GLU QG 1 125 PHE H . . 5.240 3.526 2.664 4.292 . 0 0 "[ . 1 . 2]" 1
2485 1 126 GLU H 1 126 GLU QB . . 2.920 2.173 2.053 2.243 . 0 0 "[ . 1 . 2]" 1
2486 1 126 GLU HA 1 127 GLY QA . . 5.120 3.996 3.947 4.041 . 0 0 "[ . 1 . 2]" 1
2487 1 126 GLU QG 1 127 GLY QA . . 3.960 3.118 2.734 3.859 . 0 0 "[ . 1 . 2]" 1
2488 1 127 GLY QA 1 128 CYS HA . . 4.780 4.012 4.005 4.023 . 0 0 "[ . 1 . 2]" 1
2489 1 131 ARG H 1 131 ARG QB . . 3.630 3.143 2.853 3.381 . 0 0 "[ . 1 . 2]" 1
2490 1 131 ARG H 1 131 ARG QG . . 3.060 2.504 2.108 2.992 . 0 0 "[ . 1 . 2]" 1
2491 1 131 ARG HA 1 131 ARG QG . . 3.650 3.129 2.520 3.410 . 0 0 "[ . 1 . 2]" 1
2492 1 131 ARG QB 1 131 ARG QD . . 2.850 2.137 1.999 2.421 . 0 0 "[ . 1 . 2]" 1
2493 1 131 ARG QB 1 132 PHE H . . 3.440 3.091 2.666 3.349 . 0 0 "[ . 1 . 2]" 1
2494 1 131 ARG QG 1 132 PHE H . . 5.200 4.386 3.875 4.688 . 0 0 "[ . 1 . 2]" 1
2495 1 132 PHE HA 1 134 ASN QD . . 5.340 4.546 4.103 5.065 . 0 0 "[ . 1 . 2]" 1
2496 1 132 PHE HB2 1 138 ARG QB . . 3.950 2.687 2.350 3.030 . 0 0 "[ . 1 . 2]" 1
2497 1 132 PHE HB3 1 138 ARG QB . . 4.210 3.403 2.798 3.982 . 0 0 "[ . 1 . 2]" 1
2498 1 132 PHE QD 1 138 ARG QB . . 3.890 2.368 1.999 2.777 . 0 0 "[ . 1 . 2]" 1
2499 1 133 ALA MB 1 134 ASN QD . . 3.840 2.366 2.027 2.744 . 0 0 "[ . 1 . 2]" 1
2500 1 134 ASN H 1 134 ASN QD . . 4.290 2.201 1.785 2.720 . 0 0 "[ . 1 . 2]" 1
2501 1 134 ASN HB2 1 134 ASN QD . . 3.420 3.336 3.290 3.349 . 0 0 "[ . 1 . 2]" 1
2502 1 134 ASN HB3 1 134 ASN QD . . 3.170 2.423 2.231 2.561 . 0 0 "[ . 1 . 2]" 1
2503 1 134 ASN QD 1 137 ASP H . . 4.360 3.860 3.358 4.298 . 0 0 "[ . 1 . 2]" 1
2504 1 134 ASN QD 1 137 ASP HB2 . . 4.300 2.699 1.888 3.549 . 0 0 "[ . 1 . 2]" 1
2505 1 134 ASN QD 1 137 ASP HB3 . . 4.870 3.655 2.717 4.650 . 0 0 "[ . 1 . 2]" 1
2506 1 135 SER HA 1 138 ARG QB . . 3.500 2.471 2.188 2.838 . 0 0 "[ . 1 . 2]" 1
2507 1 137 ASP HA 1 140 LYS QG . . 4.030 3.805 3.049 4.009 . 0 0 "[ . 1 . 2]" 1
2508 1 138 ARG H 1 138 ARG QB . . 2.910 2.162 2.129 2.213 . 0 0 "[ . 1 . 2]" 1
2509 1 138 ARG QB 1 139 LYS H . . 3.400 2.644 2.459 2.899 . 0 0 "[ . 1 . 2]" 1
2510 1 139 LYS H 1 139 LYS QG . . 4.240 3.546 2.307 4.061 . 0 0 "[ . 1 . 2]" 1
2511 1 139 LYS H 1 139 LYS QD . . 5.240 4.167 2.073 4.782 . 0 0 "[ . 1 . 2]" 1
2512 1 139 LYS HA 1 139 LYS QG . . 3.280 2.635 2.169 3.265 . 0 0 "[ . 1 . 2]" 1
2513 1 139 LYS HA 1 139 LYS QD . . 4.420 3.201 1.916 4.429 0.009 19 0 "[ . 1 . 2]" 1
2514 1 139 LYS QB 1 139 LYS QE . . 4.180 2.709 1.866 3.754 . 0 0 "[ . 1 . 2]" 1
2515 1 139 LYS QE 1 139 LYS QG . . 3.270 2.310 2.047 2.692 . 0 0 "[ . 1 . 2]" 1
2516 1 139 LYS QG 1 140 LYS H . . 4.690 4.073 2.751 4.687 . 0 0 "[ . 1 . 2]" 1
2517 1 139 LYS QD 1 142 MET HG3 . . 5.340 3.864 2.006 5.319 . 0 0 "[ . 1 . 2]" 1
2518 1 140 LYS H 1 140 LYS QG . . 3.450 3.008 2.772 3.417 . 0 0 "[ . 1 . 2]" 1
2519 1 140 LYS HA 1 140 LYS QG . . 3.290 2.290 2.123 2.318 . 0 0 "[ . 1 . 2]" 1
2520 1 140 LYS QE 1 140 LYS QG . . 3.370 2.370 2.044 2.892 . 0 0 "[ . 1 . 2]" 1
2521 1 140 LYS QG 1 141 HIS H . . 5.340 4.514 4.381 4.685 . 0 0 "[ . 1 . 2]" 1
2522 1 151 GLY QA 1 152 PRO QD . . 3.170 2.054 1.867 2.307 . 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 24
_Distance_constraint_stats_list.Viol_count 413
_Distance_constraint_stats_list.Viol_total 1833.172
_Distance_constraint_stats_list.Viol_max 0.608
_Distance_constraint_stats_list.Viol_rms 0.1682
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1910
_Distance_constraint_stats_list.Viol_average_violations_only 0.2219
_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 16 CYS 12.527 0.403 1 0 "[ . 1 . 2]"
1 31 CYS 14.377 0.404 13 0 "[ . 1 . 2]"
1 44 HIS 21.916 0.603 5 8 "[* +** *1 -.* * 2]"
1 49 HIS 14.883 0.603 5 8 "[* +** *1 -.* * 2]"
1 60 CYS 10.857 0.454 20 0 "[ . 1 . 2]"
1 65 CYS 9.176 0.454 20 0 "[ . 1 . 2]"
1 81 HIS 2.416 0.259 18 0 "[ . 1 . 2]"
1 85 HIS 0.393 0.086 9 0 "[ . 1 . 2]"
1 93 CYS 14.900 0.401 6 0 "[ . 1 . 2]"
1 98 CYS 14.785 0.404 13 0 "[ . 1 . 2]"
1 111 HIS 15.095 0.608 19 4 "[ . -* 1 . +*]"
1 115 HIS 10.799 0.608 19 4 "[ . -* 1 . +*]"
1 123 CYS 12.750 0.400 4 0 "[ . 1 . 2]"
1 128 CYS 12.494 0.400 4 0 "[ . 1 . 2]"
1 141 HIS 11.383 0.399 20 0 "[ . 1 . 2]"
1 145 HIS 4.566 0.271 10 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 16 CYS SG 1 31 CYS SG . . 3.560 3.755 3.558 3.962 0.402 13 0 "[ . 1 . 2]" 2
2 1 16 CYS SG 1 44 HIS NE2 . . 3.320 3.642 3.315 3.723 0.403 7 0 "[ . 1 . 2]" 2
3 1 16 CYS SG 1 49 HIS NE2 . . 3.320 3.429 3.317 3.723 0.403 1 0 "[ . 1 . 2]" 2
4 1 31 CYS SG 1 44 HIS NE2 . . 3.320 3.651 3.475 3.724 0.404 13 0 "[ . 1 . 2]" 2
5 1 31 CYS SG 1 49 HIS NE2 . . 3.320 3.513 3.319 3.646 0.326 17 0 "[ . 1 . 2]" 2
6 1 44 HIS NE2 1 49 HIS NE2 . . 3.000 3.442 3.226 3.603 0.603 5 8 "[* +** *1 -.* * 2]" 2
7 1 60 CYS SG 1 65 CYS SG . . 3.560 4.006 3.991 4.014 0.454 20 0 "[ . 1 . 2]" 2
8 1 60 CYS SG 1 81 HIS NE2 . . 3.320 3.413 3.319 3.579 0.259 18 0 "[ . 1 . 2]" 2
9 1 60 CYS SG 1 85 HIS NE2 . . 3.320 3.320 3.311 3.378 0.058 20 0 "[ . 1 . 2]" 2
10 1 65 CYS SG 1 81 HIS NE2 . . 3.320 3.331 3.315 3.414 0.094 11 0 "[ . 1 . 2]" 2
11 1 65 CYS SG 1 85 HIS NE2 . . 3.320 3.315 3.311 3.320 0.000 3 0 "[ . 1 . 2]" 2
12 1 81 HIS NE2 1 85 HIS NE2 . . 3.000 3.015 2.997 3.086 0.086 9 0 "[ . 1 . 2]" 2
13 1 93 CYS SG 1 98 CYS SG . . 3.560 3.826 3.559 3.961 0.401 13 0 "[ . 1 . 2]" 2
14 1 93 CYS SG 1 111 HIS NE2 . . 3.320 3.619 3.355 3.721 0.401 19 0 "[ . 1 . 2]" 2
15 1 93 CYS SG 1 115 HIS NE2 . . 3.320 3.500 3.315 3.721 0.401 6 0 "[ . 1 . 2]" 2
16 1 98 CYS SG 1 111 HIS NE2 . . 3.320 3.605 3.322 3.724 0.404 13 0 "[ . 1 . 2]" 2
17 1 98 CYS SG 1 115 HIS NE2 . . 3.320 3.508 3.329 3.723 0.403 6 0 "[ . 1 . 2]" 2
18 1 111 HIS NE2 1 115 HIS NE2 . . 3.000 3.171 2.999 3.608 0.608 19 4 "[ . -* 1 . +*]" 2
19 1 123 CYS SG 1 128 CYS SG . . 3.560 3.829 3.576 3.960 0.400 4 0 "[ . 1 . 2]" 2
20 1 123 CYS SG 1 141 HIS NE2 . . 3.320 3.608 3.406 3.710 0.390 19 0 "[ . 1 . 2]" 2
21 1 123 CYS SG 1 145 HIS NE2 . . 3.320 3.400 3.323 3.591 0.271 10 0 "[ . 1 . 2]" 2
22 1 128 CYS SG 1 141 HIS NE2 . . 3.320 3.564 3.362 3.719 0.399 20 0 "[ . 1 . 2]" 2
23 1 128 CYS SG 1 145 HIS NE2 . . 3.320 3.431 3.319 3.567 0.247 19 0 "[ . 1 . 2]" 2
24 1 141 HIS NE2 1 145 HIS NE2 . . 3.000 3.037 3.000 3.182 0.182 7 0 "[ . 1 . 2]" 2
stop_
save_
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