NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
552753 |
2lnx   |
18183 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lnx
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 1510
_Distance_constraint_stats_list.Viol_count 1069
_Distance_constraint_stats_list.Viol_total 582.441
_Distance_constraint_stats_list.Viol_max 0.167
_Distance_constraint_stats_list.Viol_rms 0.0068
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0272
_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 10 SER 0.187 0.118 8 0 "[ . 1 . 2]"
1 11 ARG 0.187 0.118 8 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.018 0.018 11 0 "[ . 1 . 2]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 2.028 0.157 2 0 "[ . 1 . 2]"
1 17 ILE 3.673 0.157 2 0 "[ . 1 . 2]"
1 18 ASP 1.372 0.080 6 0 "[ . 1 . 2]"
1 19 TYR 1.039 0.072 20 0 "[ . 1 . 2]"
1 20 THR 0.960 0.080 6 0 "[ . 1 . 2]"
1 21 ALA 0.117 0.024 4 0 "[ . 1 . 2]"
1 22 TYR 0.341 0.032 12 0 "[ . 1 . 2]"
1 23 PRO 0.059 0.021 16 0 "[ . 1 . 2]"
1 24 TRP 0.158 0.037 12 0 "[ . 1 . 2]"
1 25 PHE 0.396 0.035 6 0 "[ . 1 . 2]"
1 26 ALA 0.149 0.031 18 0 "[ . 1 . 2]"
1 27 GLY 0.110 0.032 9 0 "[ . 1 . 2]"
1 28 ASN 0.223 0.040 15 0 "[ . 1 . 2]"
1 29 MET 0.054 0.040 15 0 "[ . 1 . 2]"
1 30 GLU 0.093 0.056 17 0 "[ . 1 . 2]"
1 31 ARG 0.095 0.056 17 0 "[ . 1 . 2]"
1 32 GLN 0.177 0.045 13 0 "[ . 1 . 2]"
1 33 GLN 0.162 0.034 13 0 "[ . 1 . 2]"
1 34 THR 0.108 0.038 9 0 "[ . 1 . 2]"
1 35 ASP 0.016 0.016 3 0 "[ . 1 . 2]"
1 36 ASN 0.469 0.049 5 0 "[ . 1 . 2]"
1 37 LEU 1.840 0.159 5 0 "[ . 1 . 2]"
1 38 LEU 0.105 0.032 12 0 "[ . 1 . 2]"
1 39 LYS 2.759 0.106 2 0 "[ . 1 . 2]"
1 40 SER 0.675 0.106 2 0 "[ . 1 . 2]"
1 41 HIS 0.511 0.057 14 0 "[ . 1 . 2]"
1 42 ALA 0.211 0.057 14 0 "[ . 1 . 2]"
1 43 SER 0.022 0.011 6 0 "[ . 1 . 2]"
1 44 GLY 0.049 0.016 18 0 "[ . 1 . 2]"
1 45 THR 0.461 0.085 12 0 "[ . 1 . 2]"
1 46 TYR 0.212 0.044 4 0 "[ . 1 . 2]"
1 47 LEU 0.563 0.039 4 0 "[ . 1 . 2]"
1 48 ILE 0.095 0.024 9 0 "[ . 1 . 2]"
1 49 ARG 0.016 0.014 4 0 "[ . 1 . 2]"
1 50 GLU 0.040 0.022 3 0 "[ . 1 . 2]"
1 51 ARG 0.009 0.004 10 0 "[ . 1 . 2]"
1 52 PRO 0.027 0.023 20 0 "[ . 1 . 2]"
1 53 ALA 0.067 0.043 13 0 "[ . 1 . 2]"
1 54 GLU 0.084 0.043 13 0 "[ . 1 . 2]"
1 55 ALA 0.075 0.041 20 0 "[ . 1 . 2]"
1 56 GLU 0.116 0.034 12 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 0.111 0.030 6 0 "[ . 1 . 2]"
1 59 ALA 0.008 0.008 3 0 "[ . 1 . 2]"
1 60 ILE 0.140 0.030 3 0 "[ . 1 . 2]"
1 61 SER 0.106 0.031 4 0 "[ . 1 . 2]"
1 62 ILE 1.522 0.095 4 0 "[ . 1 . 2]"
1 63 LYS 1.468 0.095 4 0 "[ . 1 . 2]"
1 64 PHE 0.593 0.042 14 0 "[ . 1 . 2]"
1 65 ASN 0.093 0.058 2 0 "[ . 1 . 2]"
1 66 ASP 0.038 0.026 6 0 "[ . 1 . 2]"
1 67 GLU 0.016 0.016 3 0 "[ . 1 . 2]"
1 68 VAL 0.244 0.167 15 0 "[ . 1 . 2]"
1 69 LYS 0.265 0.064 19 0 "[ . 1 . 2]"
1 70 HIS 0.320 0.064 19 0 "[ . 1 . 2]"
1 71 ILE 0.090 0.032 5 0 "[ . 1 . 2]"
1 72 LYS 0.147 0.032 5 0 "[ . 1 . 2]"
1 73 VAL 0.039 0.017 7 0 "[ . 1 . 2]"
1 74 VAL 0.095 0.034 18 0 "[ . 1 . 2]"
1 75 GLU 0.209 0.032 11 0 "[ . 1 . 2]"
1 76 LYS 0.076 0.035 16 0 "[ . 1 . 2]"
1 77 ASP 0.336 0.046 19 0 "[ . 1 . 2]"
1 78 ASN 0.024 0.007 4 0 "[ . 1 . 2]"
1 79 TRP 0.912 0.055 18 0 "[ . 1 . 2]"
1 80 ILE 0.754 0.050 3 0 "[ . 1 . 2]"
1 81 HIS 0.261 0.064 4 0 "[ . 1 . 2]"
1 82 ILE 0.072 0.024 7 0 "[ . 1 . 2]"
1 83 THR 0.756 0.067 19 0 "[ . 1 . 2]"
1 84 GLU 1.130 0.067 19 0 "[ . 1 . 2]"
1 85 ALA 0.038 0.034 6 0 "[ . 1 . 2]"
1 86 LYS 1.323 0.064 4 0 "[ . 1 . 2]"
1 87 LYS 0.853 0.053 3 0 "[ . 1 . 2]"
1 88 PHE 0.280 0.028 15 0 "[ . 1 . 2]"
1 89 ASP 0.238 0.073 7 0 "[ . 1 . 2]"
1 90 SER 0.418 0.058 6 0 "[ . 1 . 2]"
1 91 LEU 0.027 0.020 3 0 "[ . 1 . 2]"
1 92 LEU 2.434 0.092 14 0 "[ . 1 . 2]"
1 93 GLU 0.420 0.066 9 0 "[ . 1 . 2]"
1 94 LEU 0.002 0.002 6 0 "[ . 1 . 2]"
1 95 VAL 0.003 0.003 19 0 "[ . 1 . 2]"
1 96 GLU 0.776 0.062 15 0 "[ . 1 . 2]"
1 97 TYR 0.032 0.032 7 0 "[ . 1 . 2]"
1 98 TYR 0.415 0.054 3 0 "[ . 1 . 2]"
1 99 GLN 0.069 0.031 16 0 "[ . 1 . 2]"
1 100 CYS 0.099 0.040 7 0 "[ . 1 . 2]"
1 101 HIS 0.447 0.054 3 0 "[ . 1 . 2]"
1 102 SER 0.309 0.043 19 0 "[ . 1 . 2]"
1 103 LEU 0.033 0.023 15 0 "[ . 1 . 2]"
1 104 LYS 0.732 0.052 2 0 "[ . 1 . 2]"
1 105 GLU 0.736 0.035 19 0 "[ . 1 . 2]"
1 106 SER 0.519 0.035 19 0 "[ . 1 . 2]"
1 107 PHE 0.545 0.035 16 0 "[ . 1 . 2]"
1 108 LYS 0.470 0.045 11 0 "[ . 1 . 2]"
1 109 GLN 1.341 0.067 16 0 "[ . 1 . 2]"
1 110 LEU 0.540 0.042 16 0 "[ . 1 . 2]"
1 111 ASP 0.167 0.052 2 0 "[ . 1 . 2]"
1 112 THR 0.336 0.042 14 0 "[ . 1 . 2]"
1 113 THR 0.053 0.032 19 0 "[ . 1 . 2]"
1 114 LEU 0.095 0.039 7 0 "[ . 1 . 2]"
1 115 LYS 0.030 0.014 12 0 "[ . 1 . 2]"
1 116 TYR 0.147 0.056 2 0 "[ . 1 . 2]"
1 117 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 TYR 0.499 0.085 12 0 "[ . 1 . 2]"
1 119 LYS 0.219 0.096 9 0 "[ . 1 . 2]"
1 120 SER 1.811 0.111 19 0 "[ . 1 . 2]"
1 121 ARG 2.017 0.111 19 0 "[ . 1 . 2]"
1 122 GLU 0.559 0.098 9 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 10 SER HA 1 11 ARG H 1.800 . 3.000 2.363 2.153 3.069 0.069 8 0 "[ . 1 . 2]" 1
2 1 10 SER QB 1 11 ARG H 1.800 . 3.500 2.864 2.145 3.618 0.118 8 0 "[ . 1 . 2]" 1
3 1 11 ARG H 1 11 ARG QB 1.800 . 3.500 2.633 2.079 3.380 . 0 0 "[ . 1 . 2]" 1
4 1 11 ARG HA 1 12 PRO HD3 1.800 . 3.000 2.409 2.024 2.994 . 0 0 "[ . 1 . 2]" 1
5 1 11 ARG HA 1 12 PRO HD2 1.800 . 3.000 2.280 1.804 2.873 . 0 0 "[ . 1 . 2]" 1
6 1 13 PRO HA 1 14 SER H 1.800 . 3.000 2.328 2.152 2.609 . 0 0 "[ . 1 . 2]" 1
7 1 13 PRO QB 1 14 SER H 1.800 . 4.000 3.010 2.134 3.999 . 0 0 "[ . 1 . 2]" 1
8 1 13 PRO QG 1 14 SER H 1.800 . 5.000 4.445 3.760 4.736 . 0 0 "[ . 1 . 2]" 1
9 1 14 SER H 1 14 SER QB 1.800 . 3.000 2.669 2.183 3.018 0.018 11 0 "[ . 1 . 2]" 1
10 1 14 SER HA 1 15 ARG H 1.800 . 4.000 2.783 2.144 3.588 . 0 0 "[ . 1 . 2]" 1
11 1 14 SER QB 1 15 ARG H 1.800 . 4.000 3.071 2.067 3.978 . 0 0 "[ . 1 . 2]" 1
12 1 15 ARG H 1 15 ARG QD 1.800 . 5.000 3.999 2.491 4.756 . 0 0 "[ . 1 . 2]" 1
13 1 15 ARG H 1 15 ARG QG 1.800 . 3.500 2.618 1.980 3.452 . 0 0 "[ . 1 . 2]" 1
14 1 16 GLU H 1 16 GLU HB3 1.800 . 4.000 3.692 2.906 4.036 0.036 11 0 "[ . 1 . 2]" 1
15 1 16 GLU H 1 16 GLU HB2 1.800 . 4.000 3.310 2.229 4.007 0.007 19 0 "[ . 1 . 2]" 1
16 1 16 GLU H 1 16 GLU QG 1.800 . 4.000 2.901 2.128 4.016 0.016 20 0 "[ . 1 . 2]" 1
17 1 16 GLU H 1 17 ILE H 1.800 . 4.000 3.791 2.091 4.157 0.157 2 0 "[ . 1 . 2]" 1
18 1 16 GLU HA 1 17 ILE H 1.800 . 3.000 2.420 2.118 3.087 0.087 12 0 "[ . 1 . 2]" 1
19 1 16 GLU HB3 1 17 ILE H 1.800 . 4.000 3.498 1.921 4.066 0.066 17 0 "[ . 1 . 2]" 1
20 1 16 GLU HB2 1 17 ILE H 1.800 . 4.000 3.594 1.890 4.080 0.080 2 0 "[ . 1 . 2]" 1
21 1 16 GLU QG 1 17 ILE H 1.800 . 5.000 4.222 1.985 4.866 . 0 0 "[ . 1 . 2]" 1
22 1 17 ILE H 1 17 ILE HA 1.800 . 3.000 2.891 2.796 2.952 . 0 0 "[ . 1 . 2]" 1
23 1 17 ILE H 1 17 ILE HB 1.800 . 3.000 2.648 2.424 2.979 . 0 0 "[ . 1 . 2]" 1
24 1 17 ILE H 1 17 ILE QG 1.800 . 4.000 2.780 2.000 4.121 0.121 12 0 "[ . 1 . 2]" 1
25 1 17 ILE H 1 17 ILE MG 1.800 . 4.000 3.760 2.469 3.989 . 0 0 "[ . 1 . 2]" 1
26 1 17 ILE H 1 17 ILE MD 1.800 . 5.000 3.271 1.918 4.385 . 0 0 "[ . 1 . 2]" 1
27 1 17 ILE H 1 18 ASP H 1.800 . 5.000 4.547 4.416 4.636 . 0 0 "[ . 1 . 2]" 1
28 1 17 ILE HA 1 17 ILE MG 1.800 . 3.000 2.350 2.142 3.139 0.139 12 0 "[ . 1 . 2]" 1
29 1 17 ILE MG 1 18 ASP HA 1.800 . 5.000 3.771 3.355 3.976 . 0 0 "[ . 1 . 2]" 1
30 1 17 ILE MG 1 19 TYR HA 1.800 . 5.000 3.307 3.049 3.807 . 0 0 "[ . 1 . 2]" 1
31 1 17 ILE HA 1 17 ILE MD 1.800 . 3.000 2.807 2.292 3.074 0.074 12 0 "[ . 1 . 2]" 1
32 1 17 ILE MG 1 19 TYR QE 1.800 . 3.000 2.396 1.794 3.013 0.013 1 0 "[ . 1 . 2]" 1
33 1 17 ILE MD 1 19 TYR QE 1.800 . 3.000 3.033 2.988 3.070 0.070 6 0 "[ . 1 . 2]" 1
34 1 17 ILE HB 1 19 TYR QE 1.800 . 4.000 2.878 2.013 4.045 0.045 7 0 "[ . 1 . 2]" 1
35 1 17 ILE MD 1 90 SER QB 1.800 . 5.000 3.408 2.413 4.913 . 0 0 "[ . 1 . 2]" 1
36 1 17 ILE HA 1 18 ASP H 1.800 . 3.000 2.260 2.168 2.459 . 0 0 "[ . 1 . 2]" 1
37 1 17 ILE QG 1 18 ASP H 1.800 . 5.000 4.124 1.947 4.527 . 0 0 "[ . 1 . 2]" 1
38 1 17 ILE MG 1 18 ASP H 1.800 . 3.000 2.137 1.969 2.761 . 0 0 "[ . 1 . 2]" 1
39 1 17 ILE HB 1 18 ASP H 1.800 . 4.000 3.851 3.507 4.077 0.077 15 0 "[ . 1 . 2]" 1
40 1 18 ASP H 1 18 ASP HB3 1.800 . 3.500 3.275 2.709 3.542 0.042 14 0 "[ . 1 . 2]" 1
41 1 18 ASP H 1 18 ASP HB2 1.800 . 3.500 2.644 2.206 3.564 0.064 2 0 "[ . 1 . 2]" 1
42 1 18 ASP H 1 18 ASP QB 1.800 . 3.000 2.445 2.183 2.982 . 0 0 "[ . 1 . 2]" 1
43 1 18 ASP H 1 19 TYR H 1.800 . 5.000 3.632 3.315 3.982 . 0 0 "[ . 1 . 2]" 1
44 1 17 ILE HA 1 18 ASP HA 1.800 . 5.000 4.385 4.340 4.449 . 0 0 "[ . 1 . 2]" 1
45 1 18 ASP H 1 22 TYR QE 1.800 . 5.000 4.233 2.913 5.020 0.020 3 0 "[ . 1 . 2]" 1
46 1 19 TYR H 1 19 TYR QB 1.800 . 3.000 2.462 2.252 2.615 . 0 0 "[ . 1 . 2]" 1
47 1 19 TYR H 1 19 TYR QD 1.800 . 3.500 2.827 2.057 3.204 . 0 0 "[ . 1 . 2]" 1
48 1 17 ILE MG 1 19 TYR H 1.800 . 5.000 2.926 2.256 3.532 . 0 0 "[ . 1 . 2]" 1
49 1 18 ASP HA 1 19 TYR H 1.800 . 3.000 2.413 2.296 2.498 . 0 0 "[ . 1 . 2]" 1
50 1 18 ASP HB3 1 19 TYR H 1.800 . 5.000 4.332 4.126 4.615 . 0 0 "[ . 1 . 2]" 1
51 1 18 ASP HB2 1 19 TYR H 1.800 . 5.000 4.548 4.197 4.666 . 0 0 "[ . 1 . 2]" 1
52 1 19 TYR H 1 20 THR H 1.800 . 3.000 2.654 2.543 2.733 . 0 0 "[ . 1 . 2]" 1
53 1 17 ILE HA 1 19 TYR H 1.800 . 6.000 4.860 4.583 5.231 . 0 0 "[ . 1 . 2]" 1
54 1 19 TYR H 1 22 TYR QD 1.800 . 6.000 4.504 3.973 4.955 . 0 0 "[ . 1 . 2]" 1
55 1 19 TYR HA 1 19 TYR QD 1.800 . 3.500 2.391 1.931 3.076 . 0 0 "[ . 1 . 2]" 1
56 1 19 TYR QD 1 91 LEU QD 1.800 . 5.000 3.430 2.579 4.476 . 0 0 "[ . 1 . 2]" 1
57 1 19 TYR QE 1 91 LEU QD 1.800 . 3.500 2.886 2.386 3.489 . 0 0 "[ . 1 . 2]" 1
58 1 19 TYR QE 1 91 LEU QB 1.800 . 4.000 2.586 1.847 3.138 . 0 0 "[ . 1 . 2]" 1
59 1 19 TYR QE 1 92 LEU HA 1.800 . 4.000 3.704 2.914 4.038 0.038 5 0 "[ . 1 . 2]" 1
60 1 19 TYR QE 1 92 LEU HB3 1.800 . 4.000 2.607 1.907 4.043 0.043 13 0 "[ . 1 . 2]" 1
61 1 19 TYR QE 1 92 LEU HB2 1.800 . 4.000 3.743 2.741 4.072 0.072 20 0 "[ . 1 . 2]" 1
62 1 19 TYR QE 1 92 LEU QD 1.800 . 3.500 2.824 1.946 3.467 . 0 0 "[ . 1 . 2]" 1
63 1 19 TYR QD 1 92 LEU QD 1.800 . 5.000 3.858 2.478 4.614 . 0 0 "[ . 1 . 2]" 1
64 1 18 ASP HA 1 20 THR H 1.800 . 4.000 3.175 3.045 3.319 . 0 0 "[ . 1 . 2]" 1
65 1 18 ASP HB3 1 20 THR H 1.800 . 5.000 4.115 3.620 5.009 0.009 9 0 "[ . 1 . 2]" 1
66 1 18 ASP HB2 1 20 THR H 1.800 . 5.000 4.887 3.868 5.080 0.080 6 0 "[ . 1 . 2]" 1
67 1 19 TYR HA 1 20 THR H 1.800 . 4.000 3.460 3.403 3.508 . 0 0 "[ . 1 . 2]" 1
68 1 19 TYR QB 1 20 THR H 1.800 . 4.000 2.978 2.775 3.164 . 0 0 "[ . 1 . 2]" 1
69 1 20 THR H 1 20 THR HB 1.800 . 3.500 3.432 3.075 3.566 0.066 16 0 "[ . 1 . 2]" 1
70 1 20 THR H 1 20 THR MG 1.800 . 3.500 2.945 2.038 3.534 0.034 20 0 "[ . 1 . 2]" 1
71 1 20 THR H 1 21 ALA H 1.800 . 3.000 2.598 2.423 2.719 . 0 0 "[ . 1 . 2]" 1
72 1 20 THR H 1 21 ALA MB 1.800 . 5.000 4.220 4.060 4.365 . 0 0 "[ . 1 . 2]" 1
73 1 20 THR HA 1 20 THR MG 1.800 . 3.000 2.232 2.013 2.526 . 0 0 "[ . 1 . 2]" 1
74 1 20 THR HA 1 25 PHE HB3 1.800 . 4.000 2.365 2.010 2.570 . 0 0 "[ . 1 . 2]" 1
75 1 20 THR HA 1 25 PHE HB2 1.800 . 4.000 3.110 2.672 3.489 . 0 0 "[ . 1 . 2]" 1
76 1 20 THR HA 1 25 PHE HA 1.800 . 5.000 4.930 4.696 5.035 0.035 6 0 "[ . 1 . 2]" 1
77 1 20 THR MG 1 25 PHE QB 1.800 . 5.000 3.480 2.872 3.991 . 0 0 "[ . 1 . 2]" 1
78 1 19 TYR H 1 21 ALA H 1.800 . 5.000 4.352 4.236 4.524 . 0 0 "[ . 1 . 2]" 1
79 1 20 THR MG 1 21 ALA H 1.800 . 5.000 4.220 3.752 4.472 . 0 0 "[ . 1 . 2]" 1
80 1 21 ALA H 1 21 ALA MB 1.800 . 3.000 2.160 2.084 2.358 . 0 0 "[ . 1 . 2]" 1
81 1 21 ALA H 1 22 TYR H 1.800 . 3.000 2.648 2.163 2.723 . 0 0 "[ . 1 . 2]" 1
82 1 21 ALA MB 1 22 TYR HA 1.800 . 5.000 3.850 3.773 3.930 . 0 0 "[ . 1 . 2]" 1
83 1 17 ILE MG 1 21 ALA H 1.800 . 6.000 5.499 5.064 5.996 . 0 0 "[ . 1 . 2]" 1
84 1 21 ALA MB 1 22 TYR H 1.800 . 3.500 2.827 2.686 3.009 . 0 0 "[ . 1 . 2]" 1
85 1 21 ALA HA 1 22 TYR H 1.800 . 3.500 3.499 3.457 3.524 0.024 4 0 "[ . 1 . 2]" 1
86 1 22 TYR H 1 22 TYR QB 1.800 . 3.000 2.387 2.237 2.586 . 0 0 "[ . 1 . 2]" 1
87 1 22 TYR H 1 25 PHE HB3 1.800 . 6.000 4.469 3.768 5.308 . 0 0 "[ . 1 . 2]" 1
88 1 22 TYR H 1 25 PHE HB2 1.800 . 6.000 3.937 3.702 4.422 . 0 0 "[ . 1 . 2]" 1
89 1 17 ILE MG 1 22 TYR H 1.800 . 6.000 5.764 5.183 6.010 0.010 11 0 "[ . 1 . 2]" 1
90 1 22 TYR H 1 22 TYR QD 1.800 . 3.000 2.455 1.989 3.030 0.030 16 0 "[ . 1 . 2]" 1
91 1 22 TYR H 1 22 TYR QE 1.800 . 5.000 4.369 4.117 4.803 . 0 0 "[ . 1 . 2]" 1
92 1 17 ILE MG 1 22 TYR QE 1.800 . 3.000 2.803 1.980 3.025 0.025 19 0 "[ . 1 . 2]" 1
93 1 19 TYR HA 1 22 TYR QD 1.800 . 3.000 2.003 1.786 2.376 0.014 12 0 "[ . 1 . 2]" 1
94 1 19 TYR HA 1 22 TYR QE 1.800 . 3.500 2.842 2.274 3.414 . 0 0 "[ . 1 . 2]" 1
95 1 22 TYR QD 1 92 LEU QD 1.800 . 5.000 4.711 3.832 5.032 0.032 12 0 "[ . 1 . 2]" 1
96 1 22 TYR QE 1 92 LEU QD 1.800 . 4.000 3.297 2.426 3.681 . 0 0 "[ . 1 . 2]" 1
97 1 23 PRO HA 1 119 LYS QE 1.800 . 4.000 3.296 2.156 4.007 0.007 7 0 "[ . 1 . 2]" 1
98 1 23 PRO HA 1 119 LYS HG3 1.800 . 6.000 4.412 2.888 6.021 0.021 16 0 "[ . 1 . 2]" 1
99 1 23 PRO HA 1 119 LYS HG2 1.800 . 6.000 5.043 3.460 6.003 0.003 12 0 "[ . 1 . 2]" 1
100 1 22 TYR HB3 1 24 TRP H 1.800 . 4.000 2.649 2.490 3.479 . 0 0 "[ . 1 . 2]" 1
101 1 22 TYR HB2 1 24 TRP H 1.800 . 4.000 3.373 2.892 3.850 . 0 0 "[ . 1 . 2]" 1
102 1 22 TYR QD 1 24 TRP H 1.800 . 5.000 4.500 4.107 5.001 0.001 16 0 "[ . 1 . 2]" 1
103 1 23 PRO HA 1 24 TRP H 1.800 . 3.500 3.359 2.816 3.515 0.015 13 0 "[ . 1 . 2]" 1
104 1 24 TRP H 1 24 TRP HD1 1.800 . 4.000 3.134 1.999 3.725 . 0 0 "[ . 1 . 2]" 1
105 1 24 TRP H 1 25 PHE H 1.800 . 3.000 2.479 2.014 2.866 . 0 0 "[ . 1 . 2]" 1
106 1 24 TRP H 1 25 PHE QB 1.800 . 5.000 3.903 3.331 4.394 . 0 0 "[ . 1 . 2]" 1
107 1 24 TRP H 1 47 LEU HA 1.800 . 6.000 5.919 5.473 6.030 0.030 4 0 "[ . 1 . 2]" 1
108 1 24 TRP HA 1 47 LEU HA 1.800 . 4.000 3.521 3.177 3.812 . 0 0 "[ . 1 . 2]" 1
109 1 24 TRP HA 1 118 TYR QD 1.800 . 4.000 2.954 2.061 3.779 . 0 0 "[ . 1 . 2]" 1
110 1 24 TRP HA 1 118 TYR QE 1.800 . 4.000 3.449 2.506 4.037 0.037 12 0 "[ . 1 . 2]" 1
111 1 24 TRP HZ3 1 48 ILE MD 1.800 . 4.000 3.530 2.093 3.988 . 0 0 "[ . 1 . 2]" 1
112 1 24 TRP HE3 1 48 ILE MD 1.800 . 4.000 2.478 1.870 3.586 . 0 0 "[ . 1 . 2]" 1
113 1 22 TYR QB 1 25 PHE H 1.800 . 5.000 3.404 2.690 4.483 . 0 0 "[ . 1 . 2]" 1
114 1 23 PRO HA 1 25 PHE H 1.800 . 5.000 3.970 3.577 4.443 . 0 0 "[ . 1 . 2]" 1
115 1 24 TRP HA 1 25 PHE H 1.800 . 5.000 3.222 2.794 3.547 . 0 0 "[ . 1 . 2]" 1
116 1 24 TRP QB 1 25 PHE H 1.800 . 5.000 3.511 2.510 4.032 . 0 0 "[ . 1 . 2]" 1
117 1 25 PHE H 1 25 PHE HB3 1.800 . 3.000 2.864 2.706 3.000 . 0 0 "[ . 1 . 2]" 1
118 1 25 PHE H 1 25 PHE HB2 1.800 . 3.000 2.493 2.151 2.913 . 0 0 "[ . 1 . 2]" 1
119 1 25 PHE H 1 26 ALA H 1.800 . 5.000 4.511 4.306 4.631 . 0 0 "[ . 1 . 2]" 1
120 1 25 PHE H 1 48 ILE H 1.800 . 5.500 4.727 4.293 5.125 . 0 0 "[ . 1 . 2]" 1
121 1 25 PHE HA 1 48 ILE HB 1.800 . 4.000 2.650 1.960 3.863 . 0 0 "[ . 1 . 2]" 1
122 1 25 PHE HA 1 25 PHE QD 1.800 . 3.000 2.703 2.037 3.029 0.029 13 0 "[ . 1 . 2]" 1
123 1 20 THR HB 1 25 PHE QD 1.800 . 5.000 4.134 3.061 4.836 . 0 0 "[ . 1 . 2]" 1
124 1 20 THR HA 1 25 PHE QD 1.800 . 3.000 2.390 1.991 2.977 . 0 0 "[ . 1 . 2]" 1
125 1 20 THR MG 1 25 PHE QD 1.800 . 4.000 2.277 1.999 3.051 . 0 0 "[ . 1 . 2]" 1
126 1 25 PHE QD 1 48 ILE HB 1.800 . 5.000 2.770 2.366 3.205 . 0 0 "[ . 1 . 2]" 1
127 1 25 PHE QD 1 48 ILE MG 1.800 . 4.000 3.152 2.039 3.943 . 0 0 "[ . 1 . 2]" 1
128 1 20 THR HA 1 25 PHE QE 1.800 . 4.500 3.843 3.526 4.333 . 0 0 "[ . 1 . 2]" 1
129 1 20 THR MG 1 25 PHE QE 1.800 . 3.500 2.425 2.122 3.154 . 0 0 "[ . 1 . 2]" 1
130 1 25 PHE QE 1 27 GLY HA3 1.800 . 5.000 4.128 3.300 5.007 0.007 5 0 "[ . 1 . 2]" 1
131 1 25 PHE QE 1 27 GLY HA2 1.800 . 5.000 2.838 2.011 3.553 . 0 0 "[ . 1 . 2]" 1
132 1 25 PHE QE 1 48 ILE MG 1.800 . 4.000 2.745 2.220 3.477 . 0 0 "[ . 1 . 2]" 1
133 1 25 PHE QE 1 48 ILE HB 1.800 . 4.000 3.817 3.185 4.017 0.017 14 0 "[ . 1 . 2]" 1
134 1 25 PHE QE 1 91 LEU QD 1.800 . 5.000 3.869 3.081 4.831 . 0 0 "[ . 1 . 2]" 1
135 1 25 PHE HA 1 26 ALA H 1.800 . 3.000 2.186 2.133 2.252 . 0 0 "[ . 1 . 2]" 1
136 1 25 PHE HB3 1 26 ALA H 1.800 . 5.000 3.792 3.530 4.104 . 0 0 "[ . 1 . 2]" 1
137 1 25 PHE HB2 1 26 ALA H 1.800 . 5.000 4.296 4.157 4.417 . 0 0 "[ . 1 . 2]" 1
138 1 25 PHE QD 1 26 ALA H 1.800 . 4.500 3.290 2.658 3.590 . 0 0 "[ . 1 . 2]" 1
139 1 25 PHE QE 1 26 ALA H 1.800 . 4.500 4.376 4.027 4.531 0.031 18 0 "[ . 1 . 2]" 1
140 1 26 ALA H 1 26 ALA MB 1.800 . 3.000 2.377 2.255 2.556 . 0 0 "[ . 1 . 2]" 1
141 1 26 ALA H 1 27 GLY QA 1.800 . 5.000 4.167 3.856 4.800 . 0 0 "[ . 1 . 2]" 1
142 1 26 ALA H 1 47 LEU QD 1.800 . 5.500 4.235 3.557 4.832 . 0 0 "[ . 1 . 2]" 1
143 1 26 ALA H 1 48 ILE HB 1.800 . 5.000 3.760 2.877 4.727 . 0 0 "[ . 1 . 2]" 1
144 1 26 ALA H 1 48 ILE H 1.800 . 4.000 3.533 2.966 4.024 0.024 9 0 "[ . 1 . 2]" 1
145 1 26 ALA MB 1 47 LEU QD 1.800 . 3.000 2.529 2.128 2.963 . 0 0 "[ . 1 . 2]" 1
146 1 26 ALA MB 1 49 ARG HA 1.800 . 3.500 2.996 2.581 3.502 0.002 13 0 "[ . 1 . 2]" 1
147 1 26 ALA HA 1 47 LEU QD 1.800 . 6.000 4.783 4.221 5.340 . 0 0 "[ . 1 . 2]" 1
148 1 26 ALA HA 1 118 TYR QE 1.800 . 4.000 3.397 2.932 4.008 0.008 1 0 "[ . 1 . 2]" 1
149 1 26 ALA H 1 118 TYR QD 1.800 . 6.000 5.624 5.113 5.977 . 0 0 "[ . 1 . 2]" 1
150 1 26 ALA H 1 118 TYR QE 1.800 . 6.000 4.155 3.676 4.661 . 0 0 "[ . 1 . 2]" 1
151 1 26 ALA MB 1 118 TYR QD 1.800 . 5.000 3.972 3.553 4.765 . 0 0 "[ . 1 . 2]" 1
152 1 26 ALA MB 1 118 TYR QE 1.800 . 5.000 2.979 2.269 3.622 . 0 0 "[ . 1 . 2]" 1
153 1 27 GLY HA3 1 50 GLU QB 1.800 . 6.000 4.610 3.220 5.383 . 0 0 "[ . 1 . 2]" 1
154 1 27 GLY HA2 1 50 GLU QB 1.800 . 6.000 3.335 1.940 4.296 . 0 0 "[ . 1 . 2]" 1
155 1 26 ALA MB 1 28 ASN H 1.800 . 6.000 5.354 5.060 5.642 . 0 0 "[ . 1 . 2]" 1
156 1 27 GLY HA3 1 28 ASN H 1.800 . 3.000 2.336 2.189 3.032 0.032 1 0 "[ . 1 . 2]" 1
157 1 27 GLY HA2 1 28 ASN H 1.800 . 3.000 2.862 2.199 3.032 0.032 9 0 "[ . 1 . 2]" 1
158 1 28 ASN H 1 28 ASN QB 1.800 . 3.000 2.405 2.104 2.898 . 0 0 "[ . 1 . 2]" 1
159 1 28 ASN H 1 28 ASN HD21 1.800 . 5.000 4.291 2.821 4.906 . 0 0 "[ . 1 . 2]" 1
160 1 28 ASN H 1 28 ASN HD22 1.800 . 5.000 4.750 4.281 5.015 0.015 18 0 "[ . 1 . 2]" 1
161 1 28 ASN H 1 29 MET H 1.800 . 4.000 3.757 3.100 4.040 0.040 15 0 "[ . 1 . 2]" 1
162 1 28 ASN HA 1 50 GLU QB 1.800 . 4.000 3.372 2.479 3.989 . 0 0 "[ . 1 . 2]" 1
163 1 28 ASN HA 1 29 MET HA 1.800 . 5.000 4.499 4.418 4.676 . 0 0 "[ . 1 . 2]" 1
164 1 28 ASN HA 1 28 ASN HD21 1.800 . 5.000 3.376 2.286 4.445 . 0 0 "[ . 1 . 2]" 1
165 1 28 ASN HA 1 28 ASN HD22 1.800 . 5.000 4.074 3.377 4.679 . 0 0 "[ . 1 . 2]" 1
166 1 28 ASN HD21 1 52 PRO QD 1.800 . 5.000 3.340 2.035 4.531 . 0 0 "[ . 1 . 2]" 1
167 1 28 ASN HD22 1 52 PRO QD 1.800 . 5.000 3.404 2.388 4.778 . 0 0 "[ . 1 . 2]" 1
168 1 26 ALA MB 1 29 MET H 1.800 . 5.000 4.175 3.497 4.839 . 0 0 "[ . 1 . 2]" 1
169 1 27 GLY HA3 1 29 MET H 1.800 . 6.000 4.567 3.733 5.536 . 0 0 "[ . 1 . 2]" 1
170 1 27 GLY HA2 1 29 MET H 1.800 . 6.000 4.857 4.434 5.327 . 0 0 "[ . 1 . 2]" 1
171 1 28 ASN HA 1 29 MET H 1.800 . 3.000 2.410 2.283 2.753 . 0 0 "[ . 1 . 2]" 1
172 1 28 ASN QB 1 29 MET H 1.800 . 4.000 3.876 3.796 3.997 . 0 0 "[ . 1 . 2]" 1
173 1 29 MET H 1 29 MET HA 1.800 . 3.000 2.920 2.855 2.949 . 0 0 "[ . 1 . 2]" 1
174 1 29 MET H 1 29 MET HB3 1.800 . 3.500 3.220 2.727 3.491 . 0 0 "[ . 1 . 2]" 1
175 1 29 MET H 1 29 MET HB2 1.800 . 3.500 2.302 2.124 2.605 . 0 0 "[ . 1 . 2]" 1
176 1 29 MET H 1 29 MET QB 1.800 . 3.000 2.243 2.097 2.424 . 0 0 "[ . 1 . 2]" 1
177 1 29 MET H 1 29 MET QG 1.800 . 5.000 3.753 3.043 4.054 . 0 0 "[ . 1 . 2]" 1
178 1 29 MET H 1 30 GLU H 1.800 . 5.000 4.544 4.467 4.628 . 0 0 "[ . 1 . 2]" 1
179 1 29 MET H 1 50 GLU H 1.800 . 5.000 3.596 2.500 4.187 . 0 0 "[ . 1 . 2]" 1
180 1 29 MET H 1 49 ARG HA 1.800 . 5.000 4.460 3.922 4.991 . 0 0 "[ . 1 . 2]" 1
181 1 29 MET H 1 49 ARG QD 1.800 . 6.000 4.236 2.756 5.835 . 0 0 "[ . 1 . 2]" 1
182 1 26 ALA MB 1 29 MET HB3 1.800 . 5.000 4.142 2.867 4.934 . 0 0 "[ . 1 . 2]" 1
183 1 26 ALA MB 1 29 MET HB2 1.800 . 5.000 3.114 2.539 3.688 . 0 0 "[ . 1 . 2]" 1
184 1 26 ALA MB 1 29 MET QB 1.800 . 4.000 3.022 2.378 3.590 . 0 0 "[ . 1 . 2]" 1
185 1 29 MET ME 1 118 TYR QE 1.800 . 5.000 3.438 2.257 4.348 . 0 0 "[ . 1 . 2]" 1
186 1 26 ALA HA 1 29 MET ME 1.800 . 5.000 3.601 2.724 4.822 . 0 0 "[ . 1 . 2]" 1
187 1 26 ALA MB 1 29 MET ME 1.800 . 3.000 2.238 1.811 2.752 . 0 0 "[ . 1 . 2]" 1
188 1 29 MET HA 1 30 GLU H 1.800 . 3.000 2.375 2.178 2.633 . 0 0 "[ . 1 . 2]" 1
189 1 29 MET HB3 1 30 GLU H 1.800 . 5.000 2.940 2.257 3.903 . 0 0 "[ . 1 . 2]" 1
190 1 29 MET HB2 1 30 GLU H 1.800 . 5.000 4.056 3.722 4.328 . 0 0 "[ . 1 . 2]" 1
191 1 30 GLU H 1 30 GLU HB3 1.800 . 4.000 3.521 2.621 3.714 . 0 0 "[ . 1 . 2]" 1
192 1 30 GLU H 1 30 GLU HB2 1.800 . 4.000 2.539 2.187 3.619 . 0 0 "[ . 1 . 2]" 1
193 1 30 GLU H 1 30 GLU QB 1.800 . 3.000 2.421 2.165 2.986 . 0 0 "[ . 1 . 2]" 1
194 1 30 GLU H 1 30 GLU QG 1.800 . 3.500 2.633 1.986 3.353 . 0 0 "[ . 1 . 2]" 1
195 1 30 GLU H 1 31 ARG H 1.800 . 5.000 4.591 4.511 4.644 . 0 0 "[ . 1 . 2]" 1
196 1 30 GLU H 1 33 GLN H 1.800 . 5.000 4.089 3.705 4.372 . 0 0 "[ . 1 . 2]" 1
197 1 30 GLU H 1 34 THR H 1.800 . 6.000 4.523 3.664 5.328 . 0 0 "[ . 1 . 2]" 1
198 1 30 GLU HA 1 31 ARG H 1.800 . 3.000 2.371 2.268 2.531 . 0 0 "[ . 1 . 2]" 1
199 1 30 GLU HB3 1 31 ARG H 1.800 . 4.000 2.668 2.172 3.874 . 0 0 "[ . 1 . 2]" 1
200 1 30 GLU HB2 1 31 ARG H 1.800 . 4.000 3.638 2.605 4.056 0.056 17 0 "[ . 1 . 2]" 1
201 1 30 GLU QB 1 31 ARG H 1.800 . 3.500 2.514 2.152 2.738 . 0 0 "[ . 1 . 2]" 1
202 1 31 ARG H 1 31 ARG HB3 1.800 . 3.500 3.077 2.619 3.518 0.018 6 0 "[ . 1 . 2]" 1
203 1 31 ARG H 1 31 ARG HB2 1.800 . 3.500 2.196 2.073 2.450 . 0 0 "[ . 1 . 2]" 1
204 1 31 ARG H 1 31 ARG HG3 1.800 . 5.000 3.933 2.891 4.502 . 0 0 "[ . 1 . 2]" 1
205 1 31 ARG H 1 31 ARG HG2 1.800 . 5.000 4.439 3.979 4.663 . 0 0 "[ . 1 . 2]" 1
206 1 31 ARG H 1 31 ARG QD 1.800 . 5.000 4.190 2.998 4.871 . 0 0 "[ . 1 . 2]" 1
207 1 31 ARG H 1 32 GLN H 1.800 . 3.500 2.707 2.497 2.943 . 0 0 "[ . 1 . 2]" 1
208 1 31 ARG H 1 33 GLN H 1.800 . 5.000 4.259 4.015 4.507 . 0 0 "[ . 1 . 2]" 1
209 1 31 ARG HA 1 34 THR HB 1.800 . 3.500 3.004 2.373 3.510 0.010 7 0 "[ . 1 . 2]" 1
210 1 31 ARG HA 1 31 ARG HG3 1.800 . 4.000 2.482 2.028 3.441 . 0 0 "[ . 1 . 2]" 1
211 1 31 ARG HA 1 31 ARG HG2 1.800 . 4.000 2.904 2.118 3.759 . 0 0 "[ . 1 . 2]" 1
212 1 31 ARG HA 1 31 ARG QG 1.800 . 3.000 2.200 2.009 2.811 . 0 0 "[ . 1 . 2]" 1
213 1 30 GLU HA 1 32 GLN H 1.800 . 5.000 4.392 4.178 4.940 . 0 0 "[ . 1 . 2]" 1
214 1 30 GLU H 1 32 GLN H 1.800 . 5.500 5.388 5.047 5.513 0.013 1 0 "[ . 1 . 2]" 1
215 1 31 ARG HA 1 32 GLN H 1.800 . 4.000 3.544 3.519 3.576 . 0 0 "[ . 1 . 2]" 1
216 1 31 ARG HB3 1 32 GLN H 1.800 . 4.000 2.826 2.184 3.460 . 0 0 "[ . 1 . 2]" 1
217 1 31 ARG HB2 1 32 GLN H 1.800 . 4.000 3.389 2.701 3.858 . 0 0 "[ . 1 . 2]" 1
218 1 32 GLN H 1 32 GLN HA 1.800 . 3.000 2.807 2.779 2.836 . 0 0 "[ . 1 . 2]" 1
219 1 32 GLN H 1 32 GLN HB3 1.800 . 3.000 2.643 2.527 2.952 . 0 0 "[ . 1 . 2]" 1
220 1 32 GLN H 1 32 GLN HB2 1.800 . 3.000 2.422 2.184 2.547 . 0 0 "[ . 1 . 2]" 1
221 1 32 GLN H 1 33 GLN H 1.800 . 3.500 2.728 2.608 2.845 . 0 0 "[ . 1 . 2]" 1
222 1 32 GLN H 1 34 THR H 1.800 . 5.000 4.207 3.978 4.420 . 0 0 "[ . 1 . 2]" 1
223 1 32 GLN H 1 35 ASP H 1.800 . 5.500 4.923 4.684 5.147 . 0 0 "[ . 1 . 2]" 1
224 1 32 GLN HA 1 32 GLN QG 1.800 . 3.000 2.607 2.327 2.975 . 0 0 "[ . 1 . 2]" 1
225 1 32 GLN HA 1 35 ASP HB3 1.800 . 4.000 3.621 3.094 3.955 . 0 0 "[ . 1 . 2]" 1
226 1 32 GLN HA 1 35 ASP HB2 1.800 . 4.000 3.372 2.648 3.939 . 0 0 "[ . 1 . 2]" 1
227 1 32 GLN HA 1 35 ASP QB 1.800 . 3.500 3.079 2.570 3.516 0.016 3 0 "[ . 1 . 2]" 1
228 1 32 GLN HA 1 32 GLN HE21 1.800 . 5.000 3.520 2.253 4.843 . 0 0 "[ . 1 . 2]" 1
229 1 32 GLN HA 1 32 GLN HE22 1.800 . 5.000 4.285 3.161 5.045 0.045 13 0 "[ . 1 . 2]" 1
230 1 30 GLU HA 1 33 GLN H 1.800 . 5.000 4.731 4.553 4.980 . 0 0 "[ . 1 . 2]" 1
231 1 31 ARG HA 1 33 GLN H 1.800 . 5.000 4.460 4.140 4.628 . 0 0 "[ . 1 . 2]" 1
232 1 32 GLN QB 1 33 GLN H 1.800 . 3.500 2.520 2.381 2.670 . 0 0 "[ . 1 . 2]" 1
233 1 33 GLN H 1 33 GLN HA 1.800 . 3.000 2.821 2.798 2.864 . 0 0 "[ . 1 . 2]" 1
234 1 33 GLN H 1 33 GLN HB3 1.800 . 4.000 3.405 3.316 3.483 . 0 0 "[ . 1 . 2]" 1
235 1 33 GLN H 1 33 GLN HB2 1.800 . 4.000 2.121 2.077 2.175 . 0 0 "[ . 1 . 2]" 1
236 1 33 GLN H 1 33 GLN QB 1.800 . 3.000 2.101 2.057 2.154 . 0 0 "[ . 1 . 2]" 1
237 1 33 GLN H 1 33 GLN QG 1.800 . 3.500 3.205 2.946 3.487 . 0 0 "[ . 1 . 2]" 1
238 1 33 GLN H 1 34 THR H 1.800 . 3.000 2.683 2.547 2.818 . 0 0 "[ . 1 . 2]" 1
239 1 33 GLN H 1 35 ASP H 1.800 . 5.000 4.219 4.041 4.367 . 0 0 "[ . 1 . 2]" 1
240 1 32 GLN QG 1 33 GLN H 1.800 . 4.000 3.810 3.555 4.027 0.027 3 0 "[ . 1 . 2]" 1
241 1 31 ARG QG 1 33 GLN H 1.800 . 6.000 5.760 5.298 6.004 0.004 13 0 "[ . 1 . 2]" 1
242 1 31 ARG HB3 1 33 GLN H 1.800 . 6.000 5.182 4.713 5.449 . 0 0 "[ . 1 . 2]" 1
243 1 31 ARG HB2 1 33 GLN H 1.800 . 6.000 5.604 5.076 5.945 . 0 0 "[ . 1 . 2]" 1
244 1 33 GLN HA 1 33 GLN QG 1.800 . 3.000 2.133 2.022 2.264 . 0 0 "[ . 1 . 2]" 1
245 1 33 GLN HA 1 36 ASN QB 1.800 . 3.000 2.855 2.510 3.008 0.008 2 0 "[ . 1 . 2]" 1
246 1 31 ARG HA 1 34 THR H 1.800 . 4.000 3.507 3.253 3.832 . 0 0 "[ . 1 . 2]" 1
247 1 33 GLN HA 1 34 THR H 1.800 . 4.000 3.547 3.520 3.567 . 0 0 "[ . 1 . 2]" 1
248 1 33 GLN HB3 1 34 THR H 1.800 . 4.000 3.089 2.770 3.390 . 0 0 "[ . 1 . 2]" 1
249 1 33 GLN HB2 1 34 THR H 1.800 . 4.000 2.975 2.732 3.210 . 0 0 "[ . 1 . 2]" 1
250 1 33 GLN QB 1 34 THR H 1.800 . 3.000 2.688 2.536 2.802 . 0 0 "[ . 1 . 2]" 1
251 1 34 THR H 1 34 THR HB 1.800 . 3.000 2.675 2.487 2.949 . 0 0 "[ . 1 . 2]" 1
252 1 34 THR H 1 34 THR MG 1.800 . 5.000 3.738 3.652 3.765 . 0 0 "[ . 1 . 2]" 1
253 1 34 THR H 1 35 ASP H 1.800 . 3.000 2.753 2.664 2.822 . 0 0 "[ . 1 . 2]" 1
254 1 34 THR H 1 47 LEU QD 1.800 . 5.500 5.229 4.833 5.456 . 0 0 "[ . 1 . 2]" 1
255 1 34 THR HA 1 37 LEU QB 1.800 . 5.000 2.493 2.339 2.636 . 0 0 "[ . 1 . 2]" 1
256 1 34 THR HA 1 34 THR MG 1.800 . 3.000 2.366 2.201 2.501 . 0 0 "[ . 1 . 2]" 1
257 1 34 THR MG 1 35 ASP QB 1.800 . 5.000 4.613 4.378 4.967 . 0 0 "[ . 1 . 2]" 1
258 1 34 THR HA 1 47 LEU QD 1.800 . 5.000 3.387 2.953 3.670 . 0 0 "[ . 1 . 2]" 1
259 1 34 THR HB 1 47 LEU QD 1.800 . 5.000 4.425 3.931 4.710 . 0 0 "[ . 1 . 2]" 1
260 1 34 THR MG 1 47 LEU MD1 1.800 . 4.000 2.267 1.849 2.806 . 0 0 "[ . 1 . 2]" 1
261 1 34 THR MG 1 47 LEU MD2 1.800 . 4.000 2.673 2.049 3.210 . 0 0 "[ . 1 . 2]" 1
262 1 34 THR MG 1 47 LEU QD 1.800 . 3.000 2.106 1.762 2.437 0.038 9 0 "[ . 1 . 2]" 1
263 1 34 THR MG 1 49 ARG QD 1.800 . 3.500 2.459 1.924 3.514 0.014 4 0 "[ . 1 . 2]" 1
264 1 34 THR MG 1 61 SER HA 1.800 . 5.000 4.390 3.902 5.014 0.014 4 0 "[ . 1 . 2]" 1
265 1 34 THR MG 1 61 SER QB 1.800 . 3.500 2.362 1.926 2.864 . 0 0 "[ . 1 . 2]" 1
266 1 34 THR MG 1 70 HIS HE1 1.800 . 4.000 2.479 2.001 3.546 . 0 0 "[ . 1 . 2]" 1
267 1 34 THR HB 1 70 HIS HE1 1.800 . 5.000 2.764 1.941 3.779 . 0 0 "[ . 1 . 2]" 1
268 1 31 ARG HA 1 35 ASP H 1.800 . 5.000 4.309 3.603 4.741 . 0 0 "[ . 1 . 2]" 1
269 1 34 THR HA 1 35 ASP H 1.800 . 4.000 3.548 3.527 3.569 . 0 0 "[ . 1 . 2]" 1
270 1 34 THR HB 1 35 ASP H 1.800 . 4.000 2.613 2.427 2.765 . 0 0 "[ . 1 . 2]" 1
271 1 34 THR MG 1 35 ASP H 1.800 . 4.500 3.682 3.460 3.976 . 0 0 "[ . 1 . 2]" 1
272 1 35 ASP H 1 35 ASP HA 1.800 . 3.000 2.820 2.796 2.835 . 0 0 "[ . 1 . 2]" 1
273 1 35 ASP H 1 35 ASP HB3 1.800 . 3.500 2.916 2.626 3.254 . 0 0 "[ . 1 . 2]" 1
274 1 35 ASP H 1 35 ASP HB2 1.800 . 3.500 2.256 2.090 2.481 . 0 0 "[ . 1 . 2]" 1
275 1 35 ASP H 1 35 ASP QB 1.800 . 3.000 2.172 2.067 2.268 . 0 0 "[ . 1 . 2]" 1
276 1 35 ASP H 1 36 ASN H 1.800 . 3.000 2.769 2.641 2.860 . 0 0 "[ . 1 . 2]" 1
277 1 35 ASP H 1 37 LEU H 1.800 . 5.000 3.861 3.751 4.002 . 0 0 "[ . 1 . 2]" 1
278 1 35 ASP H 1 68 VAL MG1 1.800 . 6.000 4.343 3.704 4.615 . 0 0 "[ . 1 . 2]" 1
279 1 35 ASP H 1 68 VAL MG2 1.800 . 6.000 4.900 4.303 5.294 . 0 0 "[ . 1 . 2]" 1
280 1 35 ASP HA 1 68 VAL HB 1.800 . 4.000 3.441 2.300 3.961 . 0 0 "[ . 1 . 2]" 1
281 1 34 THR MG 1 35 ASP HA 1.800 . 4.500 3.852 3.539 4.349 . 0 0 "[ . 1 . 2]" 1
282 1 35 ASP HB3 1 68 VAL QG 1.800 . 5.000 4.206 3.700 4.695 . 0 0 "[ . 1 . 2]" 1
283 1 35 ASP HB2 1 68 VAL QG 1.800 . 5.000 3.910 3.493 4.340 . 0 0 "[ . 1 . 2]" 1
284 1 36 ASN H 1 36 ASN HA 1.800 . 3.000 2.814 2.796 2.873 . 0 0 "[ . 1 . 2]" 1
285 1 36 ASN H 1 36 ASN QB 1.800 . 3.000 2.411 2.247 2.588 . 0 0 "[ . 1 . 2]" 1
286 1 36 ASN H 1 37 LEU QD 1.800 . 6.000 5.063 4.736 5.293 . 0 0 "[ . 1 . 2]" 1
287 1 32 GLN QG 1 36 ASN H 1.800 . 6.000 4.304 3.693 5.118 . 0 0 "[ . 1 . 2]" 1
288 1 36 ASN HA 1 36 ASN HD21 1.800 . 5.000 4.323 3.831 4.525 . 0 0 "[ . 1 . 2]" 1
289 1 36 ASN HA 1 36 ASN HD22 1.800 . 5.000 4.590 4.289 4.797 . 0 0 "[ . 1 . 2]" 1
290 1 33 GLN HA 1 36 ASN HD21 1.800 . 5.000 3.151 2.528 4.180 . 0 0 "[ . 1 . 2]" 1
291 1 33 GLN HA 1 36 ASN HD22 1.800 . 5.000 4.510 3.804 5.034 0.034 13 0 "[ . 1 . 2]" 1
292 1 36 ASN QB 1 39 LYS QD 1.800 . 4.500 4.469 3.980 4.549 0.049 5 0 "[ . 1 . 2]" 1
293 1 36 ASN HA 1 39 LYS QB 1.800 . 3.000 1.985 1.903 2.107 . 0 0 "[ . 1 . 2]" 1
294 1 35 ASP QB 1 36 ASN H 1.800 . 3.500 2.364 2.210 2.723 . 0 0 "[ . 1 . 2]" 1
295 1 33 GLN HA 1 36 ASN H 1.800 . 4.000 3.587 3.411 3.785 . 0 0 "[ . 1 . 2]" 1
296 1 34 THR HA 1 36 ASN H 1.800 . 5.000 4.804 4.323 4.931 . 0 0 "[ . 1 . 2]" 1
297 1 35 ASP HA 1 36 ASN H 1.800 . 4.000 3.570 3.512 3.584 . 0 0 "[ . 1 . 2]" 1
298 1 33 GLN H 1 36 ASN H 1.800 . 6.000 4.960 4.709 5.247 . 0 0 "[ . 1 . 2]" 1
299 1 34 THR H 1 36 ASN H 1.800 . 5.000 4.455 4.000 4.618 . 0 0 "[ . 1 . 2]" 1
300 1 36 ASN H 1 37 LEU H 1.800 . 3.000 2.669 2.457 2.710 . 0 0 "[ . 1 . 2]" 1
301 1 36 ASN H 1 38 LEU H 1.800 . 5.000 4.690 4.460 4.835 . 0 0 "[ . 1 . 2]" 1
302 1 33 GLN HA 1 37 LEU H 1.800 . 5.000 4.229 3.866 4.534 . 0 0 "[ . 1 . 2]" 1
303 1 33 GLN QG 1 37 LEU H 1.800 . 5.500 5.425 5.098 5.519 0.019 10 0 "[ . 1 . 2]" 1
304 1 34 THR HA 1 37 LEU H 1.800 . 4.000 3.569 3.320 3.690 . 0 0 "[ . 1 . 2]" 1
305 1 34 THR H 1 37 LEU H 1.800 . 6.000 4.750 4.535 4.902 . 0 0 "[ . 1 . 2]" 1
306 1 34 THR MG 1 37 LEU H 1.800 . 6.000 4.690 4.474 4.866 . 0 0 "[ . 1 . 2]" 1
307 1 36 ASN HA 1 37 LEU H 1.800 . 3.500 3.464 3.450 3.529 0.029 2 0 "[ . 1 . 2]" 1
308 1 36 ASN QB 1 37 LEU H 1.800 . 3.000 2.961 2.701 3.005 0.005 19 0 "[ . 1 . 2]" 1
309 1 37 LEU H 1 37 LEU HA 1.800 . 3.000 2.835 2.800 2.861 . 0 0 "[ . 1 . 2]" 1
310 1 37 LEU H 1 37 LEU QB 1.800 . 3.000 2.100 2.052 2.163 . 0 0 "[ . 1 . 2]" 1
311 1 37 LEU H 1 37 LEU MD1 1.800 . 5.000 4.169 3.288 4.304 . 0 0 "[ . 1 . 2]" 1
312 1 37 LEU H 1 37 LEU MD2 1.800 . 5.000 3.569 3.186 4.467 . 0 0 "[ . 1 . 2]" 1
313 1 37 LEU H 1 38 LEU H 1.800 . 3.000 2.727 2.566 2.893 . 0 0 "[ . 1 . 2]" 1
314 1 37 LEU H 1 38 LEU QD 1.800 . 6.000 4.587 4.019 5.348 . 0 0 "[ . 1 . 2]" 1
315 1 37 LEU H 1 39 LYS HB3 1.800 . 6.000 4.490 4.300 6.001 0.001 12 0 "[ . 1 . 2]" 1
316 1 37 LEU H 1 39 LYS HB2 1.800 . 6.000 5.890 4.361 6.074 0.074 6 0 "[ . 1 . 2]" 1
317 1 37 LEU H 1 39 LYS QB 1.800 . 5.500 4.238 4.214 4.274 . 0 0 "[ . 1 . 2]" 1
318 1 34 THR HA 1 37 LEU HB3 1.800 . 4.000 3.362 2.960 3.758 . 0 0 "[ . 1 . 2]" 1
319 1 34 THR HA 1 37 LEU HB2 1.800 . 4.000 2.578 2.387 2.728 . 0 0 "[ . 1 . 2]" 1
320 1 34 THR HA 1 37 LEU MD1 1.800 . 5.000 4.686 2.926 5.010 0.010 4 0 "[ . 1 . 2]" 1
321 1 34 THR HA 1 37 LEU MD2 1.800 . 5.000 4.049 3.666 4.360 . 0 0 "[ . 1 . 2]" 1
322 1 34 THR HA 1 37 LEU QD 1.800 . 4.000 3.747 2.869 4.008 0.008 18 0 "[ . 1 . 2]" 1
323 1 37 LEU HA 1 37 LEU MD1 1.800 . 3.000 2.402 2.109 3.155 0.155 5 0 "[ . 1 . 2]" 1
324 1 37 LEU HA 1 37 LEU MD2 1.800 . 3.000 2.184 1.972 3.159 0.159 5 0 "[ . 1 . 2]" 1
325 1 37 LEU QD 1 41 HIS HD2 1.800 . 4.000 2.858 2.105 4.011 0.011 8 0 "[ . 1 . 2]" 1
326 1 37 LEU QD 1 118 TYR QD 1.800 . 4.000 2.071 1.858 3.276 . 0 0 "[ . 1 . 2]" 1
327 1 37 LEU MD1 1 118 TYR QE 1.800 . 4.000 3.695 2.378 3.999 . 0 0 "[ . 1 . 2]" 1
328 1 37 LEU MD2 1 118 TYR QE 1.800 . 4.000 3.766 2.787 4.006 0.006 9 0 "[ . 1 . 2]" 1
329 1 37 LEU HA 1 38 LEU H 1.800 . 4.000 3.568 3.553 3.580 . 0 0 "[ . 1 . 2]" 1
330 1 36 ASN HA 1 38 LEU H 1.800 . 5.500 4.712 4.533 4.924 . 0 0 "[ . 1 . 2]" 1
331 1 38 LEU H 1 39 LYS H 1.800 . 3.000 2.649 2.489 2.782 . 0 0 "[ . 1 . 2]" 1
332 1 38 LEU H 1 38 LEU MD1 1.800 . 5.000 3.238 2.412 4.166 . 0 0 "[ . 1 . 2]" 1
333 1 38 LEU H 1 38 LEU MD2 1.800 . 5.000 3.707 2.426 4.051 . 0 0 "[ . 1 . 2]" 1
334 1 38 LEU H 1 38 LEU QB 1.800 . 4.000 2.486 2.180 2.824 . 0 0 "[ . 1 . 2]" 1
335 1 37 LEU QB 1 38 LEU H 1.800 . 3.500 2.330 2.181 2.517 . 0 0 "[ . 1 . 2]" 1
336 1 37 LEU QD 1 38 LEU H 1.800 . 5.000 3.641 3.331 3.928 . 0 0 "[ . 1 . 2]" 1
337 1 38 LEU H 1 47 LEU QD 1.800 . 6.000 4.094 3.518 4.555 . 0 0 "[ . 1 . 2]" 1
338 1 38 LEU HA 1 38 LEU QD 1.800 . 3.000 2.413 2.067 2.993 . 0 0 "[ . 1 . 2]" 1
339 1 38 LEU HA 1 41 HIS HD2 1.800 . 3.000 2.326 1.956 3.032 0.032 12 0 "[ . 1 . 2]" 1
340 1 38 LEU QD 1 41 HIS QB 1.800 . 4.000 2.690 1.894 3.092 . 0 0 "[ . 1 . 2]" 1
341 1 38 LEU QD 1 41 HIS HB3 1.800 . 5.000 3.208 2.233 3.787 . 0 0 "[ . 1 . 2]" 1
342 1 38 LEU QD 1 41 HIS HB2 1.800 . 5.000 2.894 2.047 3.336 . 0 0 "[ . 1 . 2]" 1
343 1 38 LEU QD 1 41 HIS HD2 1.800 . 3.500 2.490 1.963 3.484 . 0 0 "[ . 1 . 2]" 1
344 1 38 LEU QD 1 47 LEU QD 1.800 . 3.000 1.813 1.769 1.940 0.031 9 0 "[ . 1 . 2]" 1
345 1 38 LEU QD 1 62 ILE HA 1.800 . 5.000 2.962 2.354 3.846 . 0 0 "[ . 1 . 2]" 1
346 1 38 LEU QD 1 63 LYS H 1.800 . 4.500 3.086 2.288 3.537 . 0 0 "[ . 1 . 2]" 1
347 1 37 LEU H 1 39 LYS H 1.800 . 5.000 3.754 3.572 3.861 . 0 0 "[ . 1 . 2]" 1
348 1 38 LEU HA 1 39 LYS H 1.800 . 4.500 3.108 2.952 3.515 . 0 0 "[ . 1 . 2]" 1
349 1 39 LYS H 1 39 LYS HA 1.800 . 3.000 2.818 2.754 2.860 . 0 0 "[ . 1 . 2]" 1
350 1 39 LYS H 1 39 LYS HB3 1.800 . 3.500 2.516 2.278 3.437 . 0 0 "[ . 1 . 2]" 1
351 1 39 LYS H 1 39 LYS HB2 1.800 . 3.500 3.418 2.112 3.578 0.078 11 0 "[ . 1 . 2]" 1
352 1 39 LYS H 1 39 LYS QB 1.800 . 3.000 2.349 2.093 2.458 . 0 0 "[ . 1 . 2]" 1
353 1 39 LYS H 1 39 LYS QG 1.800 . 3.000 2.538 2.257 3.022 0.022 2 0 "[ . 1 . 2]" 1
354 1 39 LYS H 1 39 LYS QE 1.800 . 6.000 4.755 4.341 5.420 . 0 0 "[ . 1 . 2]" 1
355 1 39 LYS H 1 68 VAL QG 1.800 . 4.000 3.735 2.873 3.967 . 0 0 "[ . 1 . 2]" 1
356 1 38 LEU QD 1 39 LYS H 1.800 . 5.500 4.325 3.988 4.539 . 0 0 "[ . 1 . 2]" 1
357 1 39 LYS HA 1 68 VAL QG 1.800 . 4.000 3.099 2.638 3.516 . 0 0 "[ . 1 . 2]" 1
358 1 39 LYS QB 1 39 LYS QD 1.800 . 3.500 2.100 1.936 2.199 . 0 0 "[ . 1 . 2]" 1
359 1 39 LYS QB 1 39 LYS QE 1.800 . 5.000 3.533 2.579 3.742 . 0 0 "[ . 1 . 2]" 1
360 1 39 LYS HA 1 39 LYS QG 1.800 . 3.500 3.271 2.096 3.424 . 0 0 "[ . 1 . 2]" 1
361 1 39 LYS HA 1 39 LYS QD 1.800 . 4.000 3.868 3.698 4.005 0.005 8 0 "[ . 1 . 2]" 1
362 1 39 LYS HB3 1 40 SER H 1.800 . 4.500 3.809 2.367 4.032 . 0 0 "[ . 1 . 2]" 1
363 1 39 LYS HB2 1 40 SER H 1.800 . 4.500 3.908 2.532 4.188 . 0 0 "[ . 1 . 2]" 1
364 1 39 LYS QB 1 40 SER H 1.800 . 4.000 3.434 2.174 3.616 . 0 0 "[ . 1 . 2]" 1
365 1 39 LYS QG 1 40 SER H 1.800 . 4.000 2.292 1.980 4.106 0.106 2 0 "[ . 1 . 2]" 1
366 1 40 SER H 1 40 SER QB 1.800 . 3.500 2.650 2.320 3.057 . 0 0 "[ . 1 . 2]" 1
367 1 40 SER H 1 63 LYS QD 1.800 . 5.500 5.371 4.383 5.530 0.030 10 0 "[ . 1 . 2]" 1
368 1 40 SER H 1 63 LYS QE 1.800 . 5.500 5.220 4.499 5.547 0.047 17 0 "[ . 1 . 2]" 1
369 1 40 SER H 1 41 HIS HA 1.800 . 6.000 4.571 4.266 5.314 . 0 0 "[ . 1 . 2]" 1
370 1 38 LEU HA 1 41 HIS H 1.800 . 4.000 3.028 2.647 3.555 . 0 0 "[ . 1 . 2]" 1
371 1 40 SER HA 1 41 HIS H 1.800 . 3.500 3.192 2.856 3.497 . 0 0 "[ . 1 . 2]" 1
372 1 40 SER HB3 1 41 HIS H 1.800 . 4.500 4.121 3.164 4.555 0.055 19 0 "[ . 1 . 2]" 1
373 1 40 SER HB2 1 41 HIS H 1.800 . 4.500 4.121 3.048 4.523 0.023 6 0 "[ . 1 . 2]" 1
374 1 40 SER QB 1 41 HIS H 1.800 . 4.000 3.625 2.979 4.022 0.022 7 0 "[ . 1 . 2]" 1
375 1 41 HIS H 1 41 HIS HB3 1.800 . 3.500 3.376 3.234 3.528 0.028 16 0 "[ . 1 . 2]" 1
376 1 41 HIS H 1 41 HIS HB2 1.800 . 3.500 2.164 2.066 2.266 . 0 0 "[ . 1 . 2]" 1
377 1 41 HIS H 1 41 HIS QB 1.800 . 3.000 2.140 2.048 2.236 . 0 0 "[ . 1 . 2]" 1
378 1 41 HIS H 1 42 ALA H 1.800 . 5.000 4.608 4.527 4.650 . 0 0 "[ . 1 . 2]" 1
379 1 41 HIS HB3 1 45 THR MG 1.800 . 4.000 2.988 2.621 3.288 . 0 0 "[ . 1 . 2]" 1
380 1 41 HIS HB2 1 45 THR MG 1.800 . 4.000 3.494 3.158 3.735 . 0 0 "[ . 1 . 2]" 1
381 1 41 HIS QB 1 45 THR MG 1.800 . 3.500 2.823 2.500 3.072 . 0 0 "[ . 1 . 2]" 1
382 1 38 LEU QD 1 41 HIS H 1.800 . 5.500 4.454 3.616 4.904 . 0 0 "[ . 1 . 2]" 1
383 1 39 LYS HA 1 41 HIS H 1.800 . 5.000 4.373 4.129 4.590 . 0 0 "[ . 1 . 2]" 1
384 1 41 HIS H 1 63 LYS QD 1.800 . 5.500 4.125 2.648 5.009 . 0 0 "[ . 1 . 2]" 1
385 1 41 HIS H 1 63 LYS QB 1.800 . 6.000 5.072 4.575 5.502 . 0 0 "[ . 1 . 2]" 1
386 1 38 LEU QD 1 41 HIS HA 1.800 . 6.000 4.993 4.091 5.663 . 0 0 "[ . 1 . 2]" 1
387 1 41 HIS H 1 45 THR MG 1.800 . 5.500 5.287 4.913 5.514 0.014 19 0 "[ . 1 . 2]" 1
388 1 42 ALA H 1 42 ALA HA 1.800 . 3.000 2.886 2.825 2.927 . 0 0 "[ . 1 . 2]" 1
389 1 42 ALA H 1 42 ALA MB 1.800 . 3.000 2.234 2.106 2.344 . 0 0 "[ . 1 . 2]" 1
390 1 41 HIS HA 1 42 ALA H 1.800 . 3.000 2.409 2.334 2.585 . 0 0 "[ . 1 . 2]" 1
391 1 41 HIS HB3 1 42 ALA H 1.800 . 4.000 2.642 2.395 2.847 . 0 0 "[ . 1 . 2]" 1
392 1 41 HIS HB2 1 42 ALA H 1.800 . 4.000 3.962 3.797 4.057 0.057 14 0 "[ . 1 . 2]" 1
393 1 42 ALA H 1 43 SER H 1.800 . 5.000 4.578 4.480 4.649 . 0 0 "[ . 1 . 2]" 1
394 1 42 ALA H 1 45 THR MG 1.800 . 5.000 4.400 3.990 4.870 . 0 0 "[ . 1 . 2]" 1
395 1 42 ALA H 1 45 THR HB 1.800 . 5.000 4.892 4.560 5.021 0.021 14 0 "[ . 1 . 2]" 1
396 1 41 HIS QB 1 42 ALA HA 1.800 . 5.000 4.342 4.208 4.487 . 0 0 "[ . 1 . 2]" 1
397 1 41 HIS HA 1 42 ALA MB 1.800 . 5.000 4.019 3.915 4.154 . 0 0 "[ . 1 . 2]" 1
398 1 41 HIS QB 1 42 ALA MB 1.800 . 5.000 4.116 3.967 4.297 . 0 0 "[ . 1 . 2]" 1
399 1 42 ALA MB 1 116 TYR QE 1.800 . 4.000 3.817 3.617 3.998 . 0 0 "[ . 1 . 2]" 1
400 1 42 ALA MB 1 116 TYR QD 1.800 . 4.000 3.786 3.413 4.012 0.012 18 0 "[ . 1 . 2]" 1
401 1 42 ALA HA 1 43 SER H 1.800 . 3.000 2.470 2.327 2.651 . 0 0 "[ . 1 . 2]" 1
402 1 42 ALA MB 1 43 SER H 1.800 . 3.000 2.370 2.024 2.630 . 0 0 "[ . 1 . 2]" 1
403 1 43 SER H 1 43 SER QB 1.800 . 3.000 2.498 2.113 2.834 . 0 0 "[ . 1 . 2]" 1
404 1 43 SER H 1 44 GLY H 1.800 . 5.000 4.260 3.636 4.524 . 0 0 "[ . 1 . 2]" 1
405 1 43 SER HA 1 63 LYS QG 1.800 . 5.000 3.522 2.075 4.982 . 0 0 "[ . 1 . 2]" 1
406 1 43 SER HA 1 44 GLY H 1.800 . 3.000 2.232 2.137 2.531 . 0 0 "[ . 1 . 2]" 1
407 1 44 GLY H 1 45 THR H 1.800 . 3.500 2.061 1.989 2.227 . 0 0 "[ . 1 . 2]" 1
408 1 44 GLY H 1 63 LYS H 1.800 . 5.500 4.088 3.514 4.774 . 0 0 "[ . 1 . 2]" 1
409 1 44 GLY H 1 63 LYS QG 1.800 . 5.000 4.006 3.051 4.985 . 0 0 "[ . 1 . 2]" 1
410 1 44 GLY H 1 64 PHE QB 1.800 . 6.000 4.520 3.264 5.811 . 0 0 "[ . 1 . 2]" 1
411 1 44 GLY H 1 62 ILE MG 1.800 . 6.000 5.536 4.978 5.998 . 0 0 "[ . 1 . 2]" 1
412 1 44 GLY H 1 115 LYS QD 1.800 . 5.000 4.625 4.253 4.982 . 0 0 "[ . 1 . 2]" 1
413 1 44 GLY HA3 1 115 LYS QE 1.800 . 5.000 3.840 2.332 4.658 . 0 0 "[ . 1 . 2]" 1
414 1 44 GLY HA2 1 115 LYS QE 1.800 . 5.000 4.105 2.245 5.001 0.001 12 0 "[ . 1 . 2]" 1
415 1 44 GLY HA3 1 115 LYS QB 1.800 . 4.000 2.519 1.987 3.172 . 0 0 "[ . 1 . 2]" 1
416 1 44 GLY HA2 1 115 LYS QB 1.800 . 4.000 3.372 2.698 4.003 0.003 16 0 "[ . 1 . 2]" 1
417 1 44 GLY HA3 1 115 LYS QD 1.800 . 4.000 2.205 1.952 2.674 . 0 0 "[ . 1 . 2]" 1
418 1 44 GLY HA2 1 115 LYS QD 1.800 . 4.000 2.879 2.315 3.565 . 0 0 "[ . 1 . 2]" 1
419 1 44 GLY QA 1 115 LYS QD 1.800 . 3.000 2.108 1.857 2.471 . 0 0 "[ . 1 . 2]" 1
420 1 43 SER QB 1 44 GLY QA 1.800 . 5.000 3.997 3.803 4.251 . 0 0 "[ . 1 . 2]" 1
421 1 41 HIS QB 1 45 THR H 1.800 . 5.000 4.279 3.946 4.506 . 0 0 "[ . 1 . 2]" 1
422 1 44 GLY QA 1 45 THR H 1.800 . 3.500 2.836 2.663 2.947 . 0 0 "[ . 1 . 2]" 1
423 1 45 THR H 1 45 THR HB 1.800 . 3.000 2.687 2.507 2.837 . 0 0 "[ . 1 . 2]" 1
424 1 45 THR H 1 45 THR MG 1.800 . 5.000 3.814 3.721 3.922 . 0 0 "[ . 1 . 2]" 1
425 1 45 THR H 1 63 LYS QB 1.800 . 5.000 2.446 1.954 2.957 . 0 0 "[ . 1 . 2]" 1
426 1 45 THR H 1 64 PHE QD 1.800 . 5.000 4.958 4.710 5.032 0.032 16 0 "[ . 1 . 2]" 1
427 1 38 LEU QD 1 45 THR HB 1.800 . 3.500 2.127 1.882 2.752 . 0 0 "[ . 1 . 2]" 1
428 1 41 HIS HB3 1 45 THR HB 1.800 . 4.000 2.907 2.759 3.060 . 0 0 "[ . 1 . 2]" 1
429 1 41 HIS HB2 1 45 THR HB 1.800 . 4.000 3.785 3.444 4.000 0.000 19 0 "[ . 1 . 2]" 1
430 1 41 HIS QB 1 45 THR HB 1.800 . 3.000 2.815 2.654 2.953 . 0 0 "[ . 1 . 2]" 1
431 1 45 THR HB 1 63 LYS QB 1.800 . 4.000 2.164 1.876 2.777 . 0 0 "[ . 1 . 2]" 1
432 1 38 LEU QD 1 45 THR MG 1.800 . 3.000 1.867 1.803 2.150 . 0 0 "[ . 1 . 2]" 1
433 1 41 HIS HD2 1 45 THR MG 1.800 . 5.000 2.942 1.865 3.486 . 0 0 "[ . 1 . 2]" 1
434 1 45 THR MG 1 118 TYR QB 1.800 . 4.000 3.064 2.474 4.085 0.085 12 0 "[ . 1 . 2]" 1
435 1 45 THR MG 1 118 TYR HA 1.800 . 3.000 2.326 1.929 2.673 . 0 0 "[ . 1 . 2]" 1
436 1 45 THR HA 1 45 THR MG 1.800 . 3.000 2.330 2.146 2.424 . 0 0 "[ . 1 . 2]" 1
437 1 45 THR HA 1 116 TYR QB 1.800 . 3.500 3.345 3.092 3.511 0.011 20 0 "[ . 1 . 2]" 1
438 1 45 THR HA 1 116 TYR QD 1.800 . 4.000 3.923 3.648 4.012 0.012 20 0 "[ . 1 . 2]" 1
439 1 45 THR HA 1 46 TYR H 1.800 . 3.000 2.161 2.132 2.207 . 0 0 "[ . 1 . 2]" 1
440 1 45 THR HB 1 46 TYR H 1.800 . 5.000 4.130 3.828 4.270 . 0 0 "[ . 1 . 2]" 1
441 1 45 THR MG 1 46 TYR H 1.800 . 3.000 2.743 2.353 3.009 0.009 19 0 "[ . 1 . 2]" 1
442 1 46 TYR H 1 46 TYR QB 1.800 . 3.000 2.956 2.861 3.015 0.015 2 0 "[ . 1 . 2]" 1
443 1 46 TYR H 1 46 TYR QD 1.800 . 3.000 2.344 2.039 3.001 0.001 11 0 "[ . 1 . 2]" 1
444 1 46 TYR H 1 46 TYR QE 1.800 . 5.000 3.964 3.865 4.144 . 0 0 "[ . 1 . 2]" 1
445 1 46 TYR H 1 47 LEU H 1.800 . 5.000 4.486 4.447 4.553 . 0 0 "[ . 1 . 2]" 1
446 1 46 TYR H 1 114 LEU HA 1.800 . 5.000 4.890 4.658 5.039 0.039 7 0 "[ . 1 . 2]" 1
447 1 46 TYR H 1 114 LEU QD 1.800 . 6.000 4.747 4.308 5.301 . 0 0 "[ . 1 . 2]" 1
448 1 46 TYR H 1 116 TYR HA 1.800 . 6.000 5.215 4.805 5.432 . 0 0 "[ . 1 . 2]" 1
449 1 46 TYR H 1 116 TYR QB 1.800 . 5.000 4.592 4.429 4.825 . 0 0 "[ . 1 . 2]" 1
450 1 46 TYR H 1 117 PRO HA 1.800 . 4.000 2.992 2.590 3.268 . 0 0 "[ . 1 . 2]" 1
451 1 46 TYR H 1 116 TYR H 1.800 . 4.500 3.996 3.542 4.323 . 0 0 "[ . 1 . 2]" 1
452 1 46 TYR H 1 118 TYR HA 1.800 . 5.500 4.969 4.694 5.374 . 0 0 "[ . 1 . 2]" 1
453 1 46 TYR H 1 118 TYR QB 1.800 . 6.000 4.902 4.399 6.028 0.028 12 0 "[ . 1 . 2]" 1
454 1 46 TYR HA 1 62 ILE HA 1.800 . 3.000 2.210 2.110 2.456 . 0 0 "[ . 1 . 2]" 1
455 1 46 TYR HA 1 62 ILE HB 1.800 . 5.000 3.690 3.484 4.052 . 0 0 "[ . 1 . 2]" 1
456 1 46 TYR HA 1 47 LEU H 1.800 . 3.000 2.278 2.213 2.351 . 0 0 "[ . 1 . 2]" 1
457 1 46 TYR QD 1 47 LEU H 1.800 . 5.000 3.788 3.495 4.023 . 0 0 "[ . 1 . 2]" 1
458 1 47 LEU H 1 61 SER H 1.800 . 4.000 3.497 2.970 3.978 . 0 0 "[ . 1 . 2]" 1
459 1 46 TYR QB 1 47 LEU H 1.800 . 3.500 2.701 2.535 2.851 . 0 0 "[ . 1 . 2]" 1
460 1 47 LEU H 1 47 LEU HG 1.800 . 3.500 2.641 2.380 3.049 . 0 0 "[ . 1 . 2]" 1
461 1 47 LEU H 1 47 LEU QB 1.800 . 4.000 3.222 3.130 3.307 . 0 0 "[ . 1 . 2]" 1
462 1 47 LEU H 1 47 LEU QD 1.800 . 5.000 3.224 2.273 3.531 . 0 0 "[ . 1 . 2]" 1
463 1 47 LEU H 1 61 SER QB 1.800 . 5.000 3.972 3.608 4.583 . 0 0 "[ . 1 . 2]" 1
464 1 47 LEU H 1 62 ILE MD 1.800 . 5.000 4.834 4.528 5.033 0.033 8 0 "[ . 1 . 2]" 1
465 1 47 LEU QD 1 49 ARG HA 1.800 . 5.000 4.128 3.574 4.977 . 0 0 "[ . 1 . 2]" 1
466 1 47 LEU QD 1 118 TYR HB3 1.800 . 5.000 2.796 1.891 5.019 0.019 16 0 "[ . 1 . 2]" 1
467 1 47 LEU QD 1 118 TYR HB2 1.800 . 5.000 3.084 2.373 4.894 . 0 0 "[ . 1 . 2]" 1
468 1 47 LEU QD 1 118 TYR QD 1.800 . 5.000 3.221 2.348 3.605 . 0 0 "[ . 1 . 2]" 1
469 1 47 LEU QD 1 118 TYR QE 1.800 . 5.000 3.780 1.933 4.573 . 0 0 "[ . 1 . 2]" 1
470 1 47 LEU QD 1 62 ILE HA 1.800 . 5.000 4.020 2.577 4.510 . 0 0 "[ . 1 . 2]" 1
471 1 46 TYR HA 1 47 LEU QD 1.800 . 5.000 3.876 2.553 4.347 . 0 0 "[ . 1 . 2]" 1
472 1 47 LEU QD 1 49 ARG H 1.800 . 5.000 3.693 2.652 4.501 . 0 0 "[ . 1 . 2]" 1
473 1 47 LEU QD 1 48 ILE H 1.800 . 5.000 3.238 2.428 3.996 . 0 0 "[ . 1 . 2]" 1
474 1 47 LEU H 1 62 ILE H 1.800 . 5.000 4.992 4.891 5.039 0.039 4 0 "[ . 1 . 2]" 1
475 1 47 LEU HA 1 48 ILE H 1.800 . 3.000 2.306 2.193 2.435 . 0 0 "[ . 1 . 2]" 1
476 1 48 ILE H 1 48 ILE HA 1.800 . 3.000 2.947 2.934 2.954 . 0 0 "[ . 1 . 2]" 1
477 1 48 ILE H 1 48 ILE HB 1.800 . 4.000 2.723 2.617 2.854 . 0 0 "[ . 1 . 2]" 1
478 1 48 ILE H 1 48 ILE MG 1.800 . 5.000 3.889 3.845 3.941 . 0 0 "[ . 1 . 2]" 1
479 1 47 LEU QB 1 48 ILE H 1.800 . 3.000 2.676 2.340 2.997 . 0 0 "[ . 1 . 2]" 1
480 1 24 TRP QB 1 48 ILE H 1.800 . 5.000 3.661 3.312 4.162 . 0 0 "[ . 1 . 2]" 1
481 1 48 ILE H 1 118 TYR QD 1.800 . 5.500 4.392 3.677 4.997 . 0 0 "[ . 1 . 2]" 1
482 1 48 ILE H 1 118 TYR QE 1.800 . 5.500 4.213 3.168 5.062 . 0 0 "[ . 1 . 2]" 1
483 1 48 ILE HA 1 60 ILE HA 1.800 . 3.000 2.411 2.033 2.703 . 0 0 "[ . 1 . 2]" 1
484 1 48 ILE HA 1 48 ILE MG 1.800 . 3.000 2.327 2.229 2.423 . 0 0 "[ . 1 . 2]" 1
485 1 48 ILE MG 1 58 PHE QB 1.800 . 4.500 3.358 2.704 4.421 . 0 0 "[ . 1 . 2]" 1
486 1 48 ILE MG 1 91 LEU QD 1.800 . 3.000 2.816 2.375 3.002 0.002 6 0 "[ . 1 . 2]" 1
487 1 48 ILE MD 1 95 VAL MG1 1.800 . 4.000 3.058 2.384 3.973 . 0 0 "[ . 1 . 2]" 1
488 1 48 ILE MD 1 95 VAL MG2 1.800 . 4.000 2.728 2.012 3.200 . 0 0 "[ . 1 . 2]" 1
489 1 24 TRP QB 1 48 ILE MD 1.800 . 4.000 2.702 1.779 4.002 0.021 13 0 "[ . 1 . 2]" 1
490 1 48 ILE HA 1 48 ILE MD 1.800 . 5.000 3.086 1.976 3.906 . 0 0 "[ . 1 . 2]" 1
491 1 48 ILE HB 1 48 ILE MD 1.800 . 3.500 2.517 2.010 3.232 . 0 0 "[ . 1 . 2]" 1
492 1 47 LEU HA 1 48 ILE MD 1.800 . 4.000 3.467 2.596 4.001 0.001 19 0 "[ . 1 . 2]" 1
493 1 48 ILE MD 1 91 LEU QD 1.800 . 5.000 3.810 2.961 4.701 . 0 0 "[ . 1 . 2]" 1
494 1 48 ILE MG 1 95 VAL QG 1.800 . 6.000 3.921 3.526 4.412 . 0 0 "[ . 1 . 2]" 1
495 1 48 ILE MG 1 58 PHE HA 1.800 . 5.500 4.481 3.818 4.883 . 0 0 "[ . 1 . 2]" 1
496 1 48 ILE HA 1 49 ARG H 1.800 . 3.000 2.181 2.141 2.270 . 0 0 "[ . 1 . 2]" 1
497 1 48 ILE HB 1 49 ARG H 1.800 . 5.000 4.080 3.820 4.326 . 0 0 "[ . 1 . 2]" 1
498 1 48 ILE MG 1 49 ARG H 1.800 . 3.500 2.493 2.114 3.125 . 0 0 "[ . 1 . 2]" 1
499 1 48 ILE H 1 49 ARG H 1.800 . 5.000 4.371 4.061 4.540 . 0 0 "[ . 1 . 2]" 1
500 1 49 ARG H 1 49 ARG QG 1.800 . 3.000 2.438 1.977 2.994 . 0 0 "[ . 1 . 2]" 1
501 1 49 ARG H 1 49 ARG QD 1.800 . 5.000 4.071 2.383 4.660 . 0 0 "[ . 1 . 2]" 1
502 1 49 ARG H 1 50 GLU H 1.800 . 5.000 4.484 4.381 4.541 . 0 0 "[ . 1 . 2]" 1
503 1 49 ARG H 1 58 PHE QB 1.800 . 6.000 5.264 4.755 5.858 . 0 0 "[ . 1 . 2]" 1
504 1 49 ARG H 1 59 ALA H 1.800 . 4.000 3.531 3.052 3.820 . 0 0 "[ . 1 . 2]" 1
505 1 49 ARG H 1 60 ILE HA 1.800 . 4.500 3.336 3.020 3.749 . 0 0 "[ . 1 . 2]" 1
506 1 49 ARG HA 1 49 ARG QG 1.800 . 4.000 2.932 2.336 3.390 . 0 0 "[ . 1 . 2]" 1
507 1 49 ARG HA 1 49 ARG QD 1.800 . 5.000 4.122 3.564 4.400 . 0 0 "[ . 1 . 2]" 1
508 1 28 ASN H 1 50 GLU H 1.800 . 5.000 4.543 3.105 5.011 0.011 5 0 "[ . 1 . 2]" 1
509 1 28 ASN QB 1 50 GLU H 1.800 . 5.500 5.072 4.505 5.427 . 0 0 "[ . 1 . 2]" 1
510 1 50 GLU H 1 50 GLU QB 1.800 . 3.500 2.474 2.129 2.674 . 0 0 "[ . 1 . 2]" 1
511 1 49 ARG HA 1 50 GLU H 1.800 . 3.000 2.383 2.191 2.569 . 0 0 "[ . 1 . 2]" 1
512 1 49 ARG QB 1 50 GLU H 1.800 . 3.500 2.473 2.082 2.901 . 0 0 "[ . 1 . 2]" 1
513 1 50 GLU H 1 51 ARG H 1.800 . 5.000 4.414 3.767 4.586 . 0 0 "[ . 1 . 2]" 1
514 1 50 GLU HA 1 58 PHE HA 1.800 . 3.500 2.936 2.420 3.480 . 0 0 "[ . 1 . 2]" 1
515 1 27 GLY QA 1 50 GLU H 1.800 . 5.000 3.688 2.519 4.341 . 0 0 "[ . 1 . 2]" 1
516 1 50 GLU H 1 58 PHE HA 1.800 . 6.000 5.568 4.931 5.991 . 0 0 "[ . 1 . 2]" 1
517 1 50 GLU HA 1 58 PHE QB 1.800 . 5.000 4.507 3.757 5.022 0.022 3 0 "[ . 1 . 2]" 1
518 1 50 GLU HA 1 50 GLU QG 1.800 . 3.000 2.296 2.032 2.626 . 0 0 "[ . 1 . 2]" 1
519 1 50 GLU HA 1 51 ARG H 1.800 . 3.000 2.251 2.142 2.443 . 0 0 "[ . 1 . 2]" 1
520 1 51 ARG H 1 51 ARG HB3 1.800 . 4.000 3.365 2.606 3.823 . 0 0 "[ . 1 . 2]" 1
521 1 51 ARG H 1 51 ARG HB2 1.800 . 4.000 2.907 2.570 3.963 . 0 0 "[ . 1 . 2]" 1
522 1 51 ARG H 1 51 ARG HG3 1.800 . 5.000 4.248 2.380 4.962 . 0 0 "[ . 1 . 2]" 1
523 1 51 ARG H 1 51 ARG HG2 1.800 . 5.000 4.310 2.181 4.944 . 0 0 "[ . 1 . 2]" 1
524 1 51 ARG H 1 58 PHE HA 1.800 . 4.000 3.507 2.354 4.004 0.004 10 0 "[ . 1 . 2]" 1
525 1 51 ARG HA 1 52 PRO QD 1.800 . 3.000 1.996 1.797 2.191 0.003 14 0 "[ . 1 . 2]" 1
526 1 52 PRO HA 1 53 ALA MB 1.800 . 5.000 4.110 3.902 4.396 . 0 0 "[ . 1 . 2]" 1
527 1 53 ALA H 1 53 ALA HA 1.800 . 3.000 2.844 2.275 2.949 . 0 0 "[ . 1 . 2]" 1
528 1 53 ALA H 1 53 ALA MB 1.800 . 3.000 2.706 2.253 2.952 . 0 0 "[ . 1 . 2]" 1
529 1 52 PRO HA 1 53 ALA H 1.800 . 3.000 2.305 2.163 3.023 0.023 20 0 "[ . 1 . 2]" 1
530 1 53 ALA H 1 54 GLU H 1.800 . 5.000 4.384 4.039 4.583 . 0 0 "[ . 1 . 2]" 1
531 1 53 ALA HA 1 54 GLU H 1.800 . 3.000 2.499 2.122 2.736 . 0 0 "[ . 1 . 2]" 1
532 1 53 ALA MB 1 54 GLU H 1.800 . 3.000 2.349 2.007 3.043 0.043 13 0 "[ . 1 . 2]" 1
533 1 54 GLU H 1 55 ALA H 1.800 . 4.000 2.722 2.140 4.041 0.041 20 0 "[ . 1 . 2]" 1
534 1 55 ALA H 1 55 ALA MB 1.800 . 3.000 2.413 2.087 2.865 . 0 0 "[ . 1 . 2]" 1
535 1 55 ALA H 1 55 ALA HA 1.800 . 3.000 2.870 2.272 2.951 . 0 0 "[ . 1 . 2]" 1
536 1 54 GLU HA 1 55 ALA H 1.800 . 4.000 3.353 2.154 3.593 . 0 0 "[ . 1 . 2]" 1
537 1 55 ALA H 1 56 GLU H 1.800 . 3.000 2.470 2.041 2.883 . 0 0 "[ . 1 . 2]" 1
538 1 54 GLU QB 1 55 ALA H 1.800 . 4.000 2.783 2.094 3.830 . 0 0 "[ . 1 . 2]" 1
539 1 54 GLU QG 1 55 ALA H 1.800 . 5.000 3.989 1.972 4.675 . 0 0 "[ . 1 . 2]" 1
540 1 55 ALA MB 1 74 VAL QG 1.800 . 5.000 3.789 1.944 4.992 . 0 0 "[ . 1 . 2]" 1
541 1 55 ALA HA 1 56 GLU H 1.800 . 4.000 3.524 3.095 3.590 . 0 0 "[ . 1 . 2]" 1
542 1 55 ALA MB 1 56 GLU H 1.800 . 3.500 2.495 2.045 3.534 0.034 12 0 "[ . 1 . 2]" 1
543 1 56 GLU H 1 56 GLU HA 1.800 . 3.000 2.906 2.775 2.950 . 0 0 "[ . 1 . 2]" 1
544 1 56 GLU H 1 56 GLU QB 1.800 . 3.000 2.452 2.158 3.012 0.012 7 0 "[ . 1 . 2]" 1
545 1 56 GLU H 1 57 ARG H 1.800 . 5.000 4.213 3.141 4.639 . 0 0 "[ . 1 . 2]" 1
546 1 57 ARG H 1 57 ARG QB 1.800 . 3.000 2.513 2.116 2.907 . 0 0 "[ . 1 . 2]" 1
547 1 56 GLU HA 1 57 ARG H 1.800 . 3.000 2.314 2.143 2.586 . 0 0 "[ . 1 . 2]" 1
548 1 57 ARG H 1 75 GLU H 1.800 . 5.000 4.263 3.332 4.897 . 0 0 "[ . 1 . 2]" 1
549 1 57 ARG H 1 58 PHE QD 1.800 . 6.000 4.294 2.493 5.313 . 0 0 "[ . 1 . 2]" 1
550 1 57 ARG HA 1 58 PHE H 1.800 . 4.000 3.338 2.721 3.585 . 0 0 "[ . 1 . 2]" 1
551 1 57 ARG QB 1 58 PHE H 1.800 . 4.500 2.979 2.123 4.034 . 0 0 "[ . 1 . 2]" 1
552 1 58 PHE H 1 58 PHE HB3 1.800 . 4.000 3.639 3.249 3.873 . 0 0 "[ . 1 . 2]" 1
553 1 58 PHE H 1 58 PHE HB2 1.800 . 4.000 2.491 2.142 2.818 . 0 0 "[ . 1 . 2]" 1
554 1 58 PHE H 1 58 PHE QD 1.800 . 5.000 3.237 2.585 4.096 . 0 0 "[ . 1 . 2]" 1
555 1 58 PHE H 1 59 ALA H 1.800 . 5.000 4.494 4.149 4.612 . 0 0 "[ . 1 . 2]" 1
556 1 58 PHE H 1 73 VAL HB 1.800 . 4.000 3.390 2.691 4.017 0.017 7 0 "[ . 1 . 2]" 1
557 1 58 PHE H 1 73 VAL QG 1.800 . 5.000 3.935 3.357 4.425 . 0 0 "[ . 1 . 2]" 1
558 1 58 PHE QD 1 80 ILE MD 1.800 . 4.000 3.224 2.294 4.030 0.030 6 0 "[ . 1 . 2]" 1
559 1 50 GLU HA 1 58 PHE QD 1.800 . 4.000 3.364 2.413 4.007 0.007 17 0 "[ . 1 . 2]" 1
560 1 50 GLU QB 1 58 PHE QD 1.800 . 5.000 3.971 2.155 4.847 . 0 0 "[ . 1 . 2]" 1
561 1 19 TYR QE 1 58 PHE QE 1.800 . 4.500 4.107 3.399 4.520 0.020 15 0 "[ . 1 . 2]" 1
562 1 50 GLU QG 1 58 PHE HA 1.800 . 4.500 3.654 2.496 4.343 . 0 0 "[ . 1 . 2]" 1
563 1 58 PHE HA 1 59 ALA H 1.800 . 3.000 2.344 2.145 2.539 . 0 0 "[ . 1 . 2]" 1
564 1 58 PHE QB 1 59 ALA H 1.800 . 4.000 2.653 2.142 3.278 . 0 0 "[ . 1 . 2]" 1
565 1 58 PHE QD 1 59 ALA H 1.800 . 5.000 3.319 2.024 3.997 . 0 0 "[ . 1 . 2]" 1
566 1 59 ALA H 1 59 ALA MB 1.800 . 3.000 2.604 2.349 2.742 . 0 0 "[ . 1 . 2]" 1
567 1 59 ALA H 1 73 VAL QG 1.800 . 5.000 3.725 3.162 4.090 . 0 0 "[ . 1 . 2]" 1
568 1 59 ALA HA 1 73 VAL QG 1.800 . 3.000 2.530 1.976 2.983 . 0 0 "[ . 1 . 2]" 1
569 1 59 ALA H 1 73 VAL H 1.800 . 6.000 4.915 4.315 5.400 . 0 0 "[ . 1 . 2]" 1
570 1 50 GLU HA 1 59 ALA H 1.800 . 5.000 3.643 3.184 4.192 . 0 0 "[ . 1 . 2]" 1
571 1 59 ALA MB 1 72 LYS HA 1.800 . 4.000 3.135 2.448 3.671 . 0 0 "[ . 1 . 2]" 1
572 1 59 ALA HA 1 60 ILE H 1.800 . 3.000 2.276 2.170 2.458 . 0 0 "[ . 1 . 2]" 1
573 1 59 ALA MB 1 60 ILE H 1.800 . 3.000 2.738 2.353 3.008 0.008 3 0 "[ . 1 . 2]" 1
574 1 59 ALA H 1 60 ILE H 1.800 . 5.000 4.374 4.237 4.504 . 0 0 "[ . 1 . 2]" 1
575 1 60 ILE H 1 60 ILE HB 1.800 . 3.000 2.747 2.657 2.863 . 0 0 "[ . 1 . 2]" 1
576 1 60 ILE H 1 60 ILE MD 1.800 . 5.000 3.780 3.228 4.142 . 0 0 "[ . 1 . 2]" 1
577 1 60 ILE H 1 60 ILE MG 1.800 . 5.000 3.900 3.859 3.950 . 0 0 "[ . 1 . 2]" 1
578 1 60 ILE H 1 61 SER H 1.800 . 5.000 4.254 3.815 4.517 . 0 0 "[ . 1 . 2]" 1
579 1 60 ILE H 1 70 HIS HA 1.800 . 5.000 4.729 4.106 5.029 0.029 15 0 "[ . 1 . 2]" 1
580 1 60 ILE H 1 71 ILE HA 1.800 . 5.000 4.725 4.427 4.967 . 0 0 "[ . 1 . 2]" 1
581 1 60 ILE H 1 71 ILE H 1.800 . 4.000 3.485 2.649 3.915 . 0 0 "[ . 1 . 2]" 1
582 1 60 ILE H 1 71 ILE MD 1.800 . 6.000 4.746 4.143 5.588 . 0 0 "[ . 1 . 2]" 1
583 1 60 ILE H 1 72 LYS HA 1.800 . 4.000 3.744 3.363 4.030 0.030 3 0 "[ . 1 . 2]" 1
584 1 60 ILE H 1 73 VAL H 1.800 . 5.000 4.451 3.793 4.792 . 0 0 "[ . 1 . 2]" 1
585 1 60 ILE H 1 73 VAL QG 1.800 . 5.000 3.110 2.434 3.548 . 0 0 "[ . 1 . 2]" 1
586 1 59 ALA HA 1 60 ILE MD 1.800 . 5.000 4.566 3.994 4.893 . 0 0 "[ . 1 . 2]" 1
587 1 60 ILE MD 1 60 ILE MG 1.800 . 3.500 2.150 1.904 2.471 . 0 0 "[ . 1 . 2]" 1
588 1 60 ILE HA 1 60 ILE MD 1.800 . 5.000 3.912 3.860 3.943 . 0 0 "[ . 1 . 2]" 1
589 1 60 ILE HA 1 60 ILE MG 1.800 . 3.000 2.278 2.200 2.392 . 0 0 "[ . 1 . 2]" 1
590 1 60 ILE MD 1 82 ILE MG 1.800 . 3.000 2.314 1.822 2.727 . 0 0 "[ . 1 . 2]" 1
591 1 60 ILE MD 1 82 ILE HB 1.800 . 5.500 4.525 3.745 5.102 . 0 0 "[ . 1 . 2]" 1
592 1 60 ILE MD 1 95 VAL HA 1.800 . 5.000 4.605 4.091 4.945 . 0 0 "[ . 1 . 2]" 1
593 1 48 ILE HA 1 61 SER H 1.800 . 4.000 3.136 2.614 3.551 . 0 0 "[ . 1 . 2]" 1
594 1 60 ILE HA 1 61 SER H 1.800 . 3.000 2.191 2.147 2.276 . 0 0 "[ . 1 . 2]" 1
595 1 61 SER H 1 62 ILE H 1.800 . 5.000 4.388 3.945 4.544 . 0 0 "[ . 1 . 2]" 1
596 1 61 SER H 1 61 SER QB 1.800 . 3.000 2.543 2.185 3.031 0.031 4 0 "[ . 1 . 2]" 1
597 1 61 SER HA 1 68 VAL QG 1.800 . 5.000 4.118 3.661 4.719 . 0 0 "[ . 1 . 2]" 1
598 1 61 SER HA 1 69 LYS QB 1.800 . 5.000 4.302 3.968 4.652 . 0 0 "[ . 1 . 2]" 1
599 1 47 LEU QD 1 61 SER QB 1.800 . 4.000 2.064 1.772 2.927 0.028 9 0 "[ . 1 . 2]" 1
600 1 60 ILE MG 1 61 SER H 1.800 . 4.000 2.696 2.060 3.314 . 0 0 "[ . 1 . 2]" 1
601 1 61 SER HA 1 62 ILE H 1.800 . 3.000 2.169 2.138 2.205 . 0 0 "[ . 1 . 2]" 1
602 1 61 SER QB 1 62 ILE H 1.800 . 5.000 3.479 2.967 3.801 . 0 0 "[ . 1 . 2]" 1
603 1 62 ILE H 1 62 ILE HA 1.800 . 3.000 2.940 2.926 2.950 . 0 0 "[ . 1 . 2]" 1
604 1 62 ILE H 1 62 ILE HB 1.800 . 4.000 2.932 2.695 3.106 . 0 0 "[ . 1 . 2]" 1
605 1 62 ILE H 1 62 ILE QG 1.800 . 5.000 4.145 4.096 4.185 . 0 0 "[ . 1 . 2]" 1
606 1 62 ILE H 1 62 ILE MG 1.800 . 3.000 2.425 2.289 2.744 . 0 0 "[ . 1 . 2]" 1
607 1 62 ILE H 1 63 LYS H 1.800 . 5.000 4.468 4.426 4.525 . 0 0 "[ . 1 . 2]" 1
608 1 62 ILE H 1 68 VAL HA 1.800 . 5.000 4.703 4.219 5.019 0.019 15 0 "[ . 1 . 2]" 1
609 1 62 ILE H 1 68 VAL QG 1.800 . 5.000 3.713 3.264 4.248 . 0 0 "[ . 1 . 2]" 1
610 1 62 ILE H 1 69 LYS H 1.800 . 4.000 3.388 3.027 3.765 . 0 0 "[ . 1 . 2]" 1
611 1 62 ILE H 1 70 HIS H 1.800 . 6.000 5.036 4.723 5.340 . 0 0 "[ . 1 . 2]" 1
612 1 62 ILE H 1 70 HIS QB 1.800 . 6.000 5.673 5.382 5.912 . 0 0 "[ . 1 . 2]" 1
613 1 62 ILE H 1 70 HIS HA 1.800 . 4.500 3.880 3.570 4.219 . 0 0 "[ . 1 . 2]" 1
614 1 62 ILE H 1 71 ILE H 1.800 . 5.000 4.331 3.787 4.842 . 0 0 "[ . 1 . 2]" 1
615 1 62 ILE H 1 71 ILE MD 1.800 . 5.000 4.361 3.503 5.003 0.003 3 0 "[ . 1 . 2]" 1
616 1 62 ILE HA 1 62 ILE MG 1.800 . 4.000 3.183 3.140 3.192 . 0 0 "[ . 1 . 2]" 1
617 1 46 TYR HA 1 62 ILE MG 1.800 . 5.000 4.629 4.477 4.835 . 0 0 "[ . 1 . 2]" 1
618 1 61 SER HA 1 62 ILE MG 1.800 . 5.000 4.110 4.002 4.444 . 0 0 "[ . 1 . 2]" 1
619 1 44 GLY QA 1 62 ILE MD 1.800 . 4.000 3.666 2.646 4.016 0.016 18 0 "[ . 1 . 2]" 1
620 1 46 TYR HA 1 62 ILE MD 1.800 . 4.000 3.570 3.043 3.855 . 0 0 "[ . 1 . 2]" 1
621 1 46 TYR HB3 1 62 ILE MD 1.800 . 4.000 2.431 2.144 2.848 . 0 0 "[ . 1 . 2]" 1
622 1 46 TYR HB2 1 62 ILE MD 1.800 . 4.000 3.358 2.948 4.044 0.044 4 0 "[ . 1 . 2]" 1
623 1 62 ILE HA 1 62 ILE MD 1.800 . 4.000 3.533 2.903 3.709 . 0 0 "[ . 1 . 2]" 1
624 1 46 TYR HA 1 63 LYS H 1.800 . 4.000 3.601 3.278 3.816 . 0 0 "[ . 1 . 2]" 1
625 1 45 THR H 1 63 LYS H 1.800 . 5.000 3.314 2.784 3.892 . 0 0 "[ . 1 . 2]" 1
626 1 45 THR HB 1 63 LYS H 1.800 . 5.000 3.608 3.420 3.828 . 0 0 "[ . 1 . 2]" 1
627 1 45 THR MG 1 63 LYS H 1.800 . 6.000 4.602 4.432 4.874 . 0 0 "[ . 1 . 2]" 1
628 1 62 ILE HA 1 63 LYS H 1.800 . 3.000 2.378 2.270 2.407 . 0 0 "[ . 1 . 2]" 1
629 1 62 ILE HB 1 63 LYS H 1.800 . 4.000 3.956 3.920 4.095 0.095 4 0 "[ . 1 . 2]" 1
630 1 62 ILE MG 1 63 LYS H 1.800 . 3.000 3.036 2.874 3.064 0.064 18 0 "[ . 1 . 2]" 1
631 1 63 LYS H 1 63 LYS HB3 1.800 . 3.500 2.716 2.498 3.172 . 0 0 "[ . 1 . 2]" 1
632 1 63 LYS H 1 63 LYS HB2 1.800 . 3.500 2.874 2.336 3.195 . 0 0 "[ . 1 . 2]" 1
633 1 63 LYS H 1 63 LYS QB 1.800 . 3.000 2.438 2.279 2.514 . 0 0 "[ . 1 . 2]" 1
634 1 63 LYS H 1 63 LYS QD 1.800 . 5.000 4.446 4.334 4.580 . 0 0 "[ . 1 . 2]" 1
635 1 63 LYS H 1 64 PHE H 1.800 . 5.000 4.230 3.990 4.380 . 0 0 "[ . 1 . 2]" 1
636 1 63 LYS HA 1 63 LYS QE 1.800 . 5.000 3.913 3.188 4.315 . 0 0 "[ . 1 . 2]" 1
637 1 39 LYS HA 1 63 LYS QE 1.800 . 4.500 3.924 2.023 4.511 0.011 14 0 "[ . 1 . 2]" 1
638 1 63 LYS HA 1 63 LYS QD 1.800 . 5.000 2.449 1.902 3.610 . 0 0 "[ . 1 . 2]" 1
639 1 63 LYS QE 1 68 VAL QG 1.800 . 4.000 3.302 2.624 4.014 0.014 15 0 "[ . 1 . 2]" 1
640 1 63 LYS HA 1 68 VAL QG 1.800 . 4.000 3.355 3.143 3.655 . 0 0 "[ . 1 . 2]" 1
641 1 63 LYS HA 1 64 PHE H 1.800 . 3.000 2.161 2.139 2.188 . 0 0 "[ . 1 . 2]" 1
642 1 63 LYS QG 1 64 PHE H 1.800 . 5.000 3.403 2.747 3.956 . 0 0 "[ . 1 . 2]" 1
643 1 63 LYS QD 1 64 PHE H 1.800 . 3.500 3.030 2.257 3.531 0.031 1 0 "[ . 1 . 2]" 1
644 1 63 LYS QE 1 64 PHE H 1.800 . 5.000 3.946 2.761 4.682 . 0 0 "[ . 1 . 2]" 1
645 1 64 PHE H 1 64 PHE HB3 1.800 . 4.000 3.203 3.019 3.386 . 0 0 "[ . 1 . 2]" 1
646 1 64 PHE H 1 64 PHE HB2 1.800 . 4.000 3.124 2.966 3.324 . 0 0 "[ . 1 . 2]" 1
647 1 64 PHE H 1 64 PHE QD 1.800 . 5.000 4.412 4.328 4.493 . 0 0 "[ . 1 . 2]" 1
648 1 64 PHE H 1 65 ASN H 1.800 . 5.000 4.319 4.208 4.381 . 0 0 "[ . 1 . 2]" 1
649 1 64 PHE H 1 67 GLU H 1.800 . 4.000 3.056 2.771 3.413 . 0 0 "[ . 1 . 2]" 1
650 1 64 PHE H 1 68 VAL HA 1.800 . 4.000 3.706 3.271 3.994 . 0 0 "[ . 1 . 2]" 1
651 1 64 PHE H 1 68 VAL QG 1.800 . 5.000 4.470 4.319 4.673 . 0 0 "[ . 1 . 2]" 1
652 1 64 PHE H 1 69 LYS H 1.800 . 4.000 3.868 3.602 4.008 0.008 2 0 "[ . 1 . 2]" 1
653 1 43 SER QB 1 64 PHE HA 1.800 . 4.000 3.237 2.101 4.008 0.008 2 0 "[ . 1 . 2]" 1
654 1 64 PHE QE 1 110 LEU HA 1.800 . 4.000 3.892 3.382 4.025 0.025 16 0 "[ . 1 . 2]" 1
655 1 64 PHE QD 1 110 LEU HA 1.800 . 4.500 3.454 2.555 3.977 . 0 0 "[ . 1 . 2]" 1
656 1 64 PHE HA 1 64 PHE QE 1.800 . 5.000 4.251 4.179 4.523 . 0 0 "[ . 1 . 2]" 1
657 1 64 PHE HA 1 64 PHE QD 1.800 . 3.500 2.250 2.111 2.639 . 0 0 "[ . 1 . 2]" 1
658 1 43 SER HA 1 65 ASN H 1.800 . 5.000 4.491 3.817 5.011 0.011 6 0 "[ . 1 . 2]" 1
659 1 64 PHE HA 1 65 ASN H 1.800 . 3.000 2.279 2.189 2.378 . 0 0 "[ . 1 . 2]" 1
660 1 64 PHE QB 1 65 ASN H 1.800 . 4.000 3.365 3.235 3.550 . 0 0 "[ . 1 . 2]" 1
661 1 64 PHE QD 1 65 ASN H 1.800 . 4.000 3.279 3.034 3.536 . 0 0 "[ . 1 . 2]" 1
662 1 64 PHE QE 1 65 ASN H 1.800 . 5.000 4.251 3.812 4.621 . 0 0 "[ . 1 . 2]" 1
663 1 65 ASN H 1 65 ASN HA 1.800 . 3.000 2.273 2.264 2.278 . 0 0 "[ . 1 . 2]" 1
664 1 65 ASN H 1 65 ASN HB3 1.800 . 4.000 3.912 3.826 4.058 0.058 2 0 "[ . 1 . 2]" 1
665 1 65 ASN H 1 65 ASN HB2 1.800 . 4.000 3.066 3.017 3.236 . 0 0 "[ . 1 . 2]" 1
666 1 65 ASN H 1 65 ASN QD 1.800 . 5.000 4.409 3.166 4.983 . 0 0 "[ . 1 . 2]" 1
667 1 65 ASN H 1 67 GLU H 1.800 . 5.000 4.265 4.169 4.458 . 0 0 "[ . 1 . 2]" 1
668 1 65 ASN H 1 66 ASP H 1.800 . 4.000 2.698 2.667 2.818 . 0 0 "[ . 1 . 2]" 1
669 1 64 PHE QD 1 65 ASN QB 1.800 . 5.000 3.244 2.463 3.538 . 0 0 "[ . 1 . 2]" 1
670 1 64 PHE QE 1 65 ASN QB 1.800 . 5.000 4.610 3.739 5.001 0.001 9 0 "[ . 1 . 2]" 1
671 1 64 PHE HA 1 65 ASN HA 1.800 . 5.000 4.445 4.390 4.512 . 0 0 "[ . 1 . 2]" 1
672 1 65 ASN HA 1 66 ASP H 1.800 . 3.000 2.841 2.756 2.918 . 0 0 "[ . 1 . 2]" 1
673 1 66 ASP H 1 66 ASP HA 1.800 . 3.000 2.268 2.264 2.281 . 0 0 "[ . 1 . 2]" 1
674 1 66 ASP H 1 67 GLU H 1.800 . 3.000 2.766 2.703 2.828 . 0 0 "[ . 1 . 2]" 1
675 1 64 PHE H 1 66 ASP H 1.800 . 5.000 4.409 4.171 4.771 . 0 0 "[ . 1 . 2]" 1
676 1 66 ASP H 1 66 ASP QB 1.800 . 3.500 3.093 2.868 3.345 . 0 0 "[ . 1 . 2]" 1
677 1 65 ASN QB 1 66 ASP H 1.800 . 4.000 3.854 3.805 3.902 . 0 0 "[ . 1 . 2]" 1
678 1 64 PHE HA 1 66 ASP H 1.800 . 4.500 3.520 3.350 3.754 . 0 0 "[ . 1 . 2]" 1
679 1 63 LYS QE 1 66 ASP H 1.800 . 5.000 3.510 2.182 4.401 . 0 0 "[ . 1 . 2]" 1
680 1 63 LYS QE 1 66 ASP HA 1.800 . 3.000 2.426 1.908 3.026 0.026 6 0 "[ . 1 . 2]" 1
681 1 63 LYS QE 1 66 ASP QB 1.800 . 5.000 4.191 3.632 4.691 . 0 0 "[ . 1 . 2]" 1
682 1 65 ASN HA 1 66 ASP QB 1.800 . 5.000 3.952 3.788 4.238 . 0 0 "[ . 1 . 2]" 1
683 1 66 ASP QB 1 67 GLU QG 1.800 . 5.000 3.823 3.336 4.415 . 0 0 "[ . 1 . 2]" 1
684 1 65 ASN HA 1 67 GLU H 1.800 . 5.000 4.544 4.386 4.713 . 0 0 "[ . 1 . 2]" 1
685 1 65 ASN QB 1 67 GLU H 1.800 . 4.500 3.718 3.503 3.968 . 0 0 "[ . 1 . 2]" 1
686 1 66 ASP HA 1 67 GLU H 1.800 . 3.000 2.898 2.812 2.972 . 0 0 "[ . 1 . 2]" 1
687 1 66 ASP QB 1 67 GLU H 1.800 . 4.500 3.830 3.786 3.875 . 0 0 "[ . 1 . 2]" 1
688 1 67 GLU H 1 67 GLU HA 1.800 . 3.000 2.917 2.868 2.941 . 0 0 "[ . 1 . 2]" 1
689 1 67 GLU H 1 67 GLU QB 1.800 . 3.500 2.644 2.475 2.808 . 0 0 "[ . 1 . 2]" 1
690 1 67 GLU H 1 67 GLU QG 1.800 . 4.000 3.719 3.101 4.016 0.016 3 0 "[ . 1 . 2]" 1
691 1 63 LYS QE 1 67 GLU H 1.800 . 4.000 2.881 2.230 3.826 . 0 0 "[ . 1 . 2]" 1
692 1 67 GLU HA 1 67 GLU QG 1.800 . 3.000 2.204 2.049 2.405 . 0 0 "[ . 1 . 2]" 1
693 1 67 GLU HA 1 68 VAL QG 1.800 . 5.000 3.386 3.134 3.703 . 0 0 "[ . 1 . 2]" 1
694 1 67 GLU HA 1 68 VAL H 1.800 . 3.000 2.316 2.180 2.611 . 0 0 "[ . 1 . 2]" 1
695 1 67 GLU QG 1 68 VAL H 1.800 . 4.000 3.471 2.393 3.944 . 0 0 "[ . 1 . 2]" 1
696 1 68 VAL H 1 68 VAL HB 1.800 . 3.000 2.654 2.598 2.798 . 0 0 "[ . 1 . 2]" 1
697 1 68 VAL H 1 68 VAL MG1 1.800 . 5.000 3.747 1.947 3.925 . 0 0 "[ . 1 . 2]" 1
698 1 68 VAL H 1 68 VAL MG2 1.800 . 5.000 2.467 2.149 3.795 . 0 0 "[ . 1 . 2]" 1
699 1 68 VAL H 1 68 VAL QG 1.800 . 3.000 2.351 1.941 2.628 . 0 0 "[ . 1 . 2]" 1
700 1 68 VAL H 1 69 LYS H 1.800 . 5.000 4.253 4.049 4.521 . 0 0 "[ . 1 . 2]" 1
701 1 63 LYS HA 1 68 VAL HA 1.800 . 3.000 2.679 2.123 2.995 . 0 0 "[ . 1 . 2]" 1
702 1 34 THR MG 1 68 VAL QG 1.800 . 3.500 2.735 2.122 3.379 . 0 0 "[ . 1 . 2]" 1
703 1 35 ASP HA 1 68 VAL MG1 1.800 . 3.000 2.572 2.075 2.947 . 0 0 "[ . 1 . 2]" 1
704 1 35 ASP HA 1 68 VAL MG2 1.800 . 3.000 2.463 1.964 2.853 . 0 0 "[ . 1 . 2]" 1
705 1 35 ASP QB 1 68 VAL MG1 1.800 . 5.000 4.111 3.361 4.498 . 0 0 "[ . 1 . 2]" 1
706 1 35 ASP QB 1 68 VAL MG2 1.800 . 5.000 4.004 3.442 4.514 . 0 0 "[ . 1 . 2]" 1
707 1 38 LEU QB 1 68 VAL QG 1.800 . 3.500 2.016 1.805 2.245 . 0 0 "[ . 1 . 2]" 1
708 1 61 SER QB 1 68 VAL QG 1.800 . 4.500 3.251 2.623 3.807 . 0 0 "[ . 1 . 2]" 1
709 1 63 LYS HA 1 68 VAL MG1 1.800 . 5.000 3.892 3.567 4.808 . 0 0 "[ . 1 . 2]" 1
710 1 63 LYS HA 1 68 VAL MG2 1.800 . 5.000 3.699 3.186 4.091 . 0 0 "[ . 1 . 2]" 1
711 1 68 VAL HA 1 68 VAL MG1 1.800 . 3.000 2.334 2.214 3.167 0.167 15 0 "[ . 1 . 2]" 1
712 1 68 VAL HA 1 68 VAL MG2 1.800 . 3.000 2.446 2.307 2.527 . 0 0 "[ . 1 . 2]" 1
713 1 68 VAL QG 1 70 HIS HD2 1.800 . 5.000 3.477 2.146 4.449 . 0 0 "[ . 1 . 2]" 1
714 1 68 VAL QG 1 70 HIS HE1 1.800 . 5.000 3.341 1.897 4.867 . 0 0 "[ . 1 . 2]" 1
715 1 61 SER HA 1 69 LYS H 1.800 . 5.000 4.915 4.752 5.005 0.005 15 0 "[ . 1 . 2]" 1
716 1 62 ILE MG 1 69 LYS H 1.800 . 5.000 3.153 2.832 3.511 . 0 0 "[ . 1 . 2]" 1
717 1 63 LYS HA 1 69 LYS H 1.800 . 4.000 3.389 2.989 3.893 . 0 0 "[ . 1 . 2]" 1
718 1 68 VAL HA 1 69 LYS H 1.800 . 3.000 2.178 2.148 2.219 . 0 0 "[ . 1 . 2]" 1
719 1 68 VAL HB 1 69 LYS H 1.800 . 5.000 4.326 4.213 4.420 . 0 0 "[ . 1 . 2]" 1
720 1 68 VAL MG1 1 69 LYS H 1.800 . 5.000 3.123 2.779 4.063 . 0 0 "[ . 1 . 2]" 1
721 1 68 VAL MG2 1 69 LYS H 1.800 . 5.000 4.184 2.614 4.324 . 0 0 "[ . 1 . 2]" 1
722 1 68 VAL QG 1 69 LYS H 1.800 . 4.000 2.983 2.585 3.233 . 0 0 "[ . 1 . 2]" 1
723 1 69 LYS H 1 69 LYS QB 1.800 . 3.000 2.248 2.127 2.571 . 0 0 "[ . 1 . 2]" 1
724 1 69 LYS H 1 69 LYS HG3 1.800 . 5.000 4.118 3.564 4.570 . 0 0 "[ . 1 . 2]" 1
725 1 69 LYS H 1 69 LYS HG2 1.800 . 5.000 3.781 2.183 4.761 . 0 0 "[ . 1 . 2]" 1
726 1 69 LYS H 1 70 HIS H 1.800 . 5.000 4.587 4.543 4.625 . 0 0 "[ . 1 . 2]" 1
727 1 69 LYS HA 1 70 HIS HD2 1.800 . 5.000 3.558 2.571 4.479 . 0 0 "[ . 1 . 2]" 1
728 1 69 LYS HA 1 69 LYS HD3 1.800 . 4.000 3.208 2.060 3.928 . 0 0 "[ . 1 . 2]" 1
729 1 69 LYS HA 1 69 LYS HD2 1.800 . 4.000 2.907 2.005 3.994 . 0 0 "[ . 1 . 2]" 1
730 1 62 ILE MG 1 69 LYS QB 1.800 . 4.000 2.158 1.852 2.631 . 0 0 "[ . 1 . 2]" 1
731 1 69 LYS QB 1 69 LYS QE 1.800 . 4.000 3.284 2.252 3.771 . 0 0 "[ . 1 . 2]" 1
732 1 69 LYS QB 1 110 LEU QD 1.800 . 5.000 2.960 2.589 3.374 . 0 0 "[ . 1 . 2]" 1
733 1 69 LYS HG3 1 110 LEU QD 1.800 . 5.000 3.148 1.976 4.344 . 0 0 "[ . 1 . 2]" 1
734 1 69 LYS HG2 1 110 LEU QD 1.800 . 5.000 3.100 2.184 4.100 . 0 0 "[ . 1 . 2]" 1
735 1 69 LYS HA 1 70 HIS H 1.800 . 3.000 2.289 2.175 2.443 . 0 0 "[ . 1 . 2]" 1
736 1 69 LYS QB 1 70 HIS H 1.800 . 3.000 2.889 2.376 3.064 0.064 19 0 "[ . 1 . 2]" 1
737 1 70 HIS H 1 70 HIS HD2 1.800 . 4.000 3.334 2.619 3.929 . 0 0 "[ . 1 . 2]" 1
738 1 70 HIS H 1 70 HIS HB3 1.800 . 4.000 3.782 3.633 3.899 . 0 0 "[ . 1 . 2]" 1
739 1 70 HIS H 1 70 HIS HB2 1.800 . 4.000 2.690 2.450 2.908 . 0 0 "[ . 1 . 2]" 1
740 1 70 HIS H 1 70 HIS QB 1.800 . 3.500 2.635 2.415 2.832 . 0 0 "[ . 1 . 2]" 1
741 1 70 HIS H 1 71 ILE H 1.800 . 5.000 3.896 3.519 4.306 . 0 0 "[ . 1 . 2]" 1
742 1 61 SER HA 1 70 HIS HA 1.800 . 3.000 2.490 2.216 2.697 . 0 0 "[ . 1 . 2]" 1
743 1 61 SER HA 1 71 ILE H 1.800 . 4.500 3.146 2.576 3.557 . 0 0 "[ . 1 . 2]" 1
744 1 70 HIS HA 1 71 ILE H 1.800 . 3.000 2.224 2.145 2.333 . 0 0 "[ . 1 . 2]" 1
745 1 70 HIS HB3 1 71 ILE H 1.800 . 5.000 3.900 3.297 4.180 . 0 0 "[ . 1 . 2]" 1
746 1 70 HIS HB2 1 71 ILE H 1.800 . 5.000 4.458 4.186 4.623 . 0 0 "[ . 1 . 2]" 1
747 1 71 ILE H 1 71 ILE HB 1.800 . 3.000 2.638 2.601 2.729 . 0 0 "[ . 1 . 2]" 1
748 1 71 ILE H 1 71 ILE MG 1.800 . 5.000 3.813 3.786 3.881 . 0 0 "[ . 1 . 2]" 1
749 1 71 ILE H 1 71 ILE HG13 1.800 . 4.500 2.579 2.048 3.876 . 0 0 "[ . 1 . 2]" 1
750 1 71 ILE H 1 71 ILE HG12 1.800 . 4.500 3.277 2.051 3.982 . 0 0 "[ . 1 . 2]" 1
751 1 71 ILE H 1 71 ILE MD 1.800 . 5.000 3.219 2.743 3.631 . 0 0 "[ . 1 . 2]" 1
752 1 71 ILE H 1 72 LYS H 1.800 . 5.000 4.586 4.488 4.633 . 0 0 "[ . 1 . 2]" 1
753 1 71 ILE MG 1 82 ILE HA 1.800 . 5.000 4.089 3.759 4.753 . 0 0 "[ . 1 . 2]" 1
754 1 71 ILE MG 1 82 ILE HB 1.800 . 4.000 2.544 2.101 3.020 . 0 0 "[ . 1 . 2]" 1
755 1 71 ILE MG 1 82 ILE MG 1.800 . 3.000 2.143 1.861 2.874 . 0 0 "[ . 1 . 2]" 1
756 1 71 ILE MD 1 71 ILE MG 1.800 . 3.000 2.265 1.902 2.675 . 0 0 "[ . 1 . 2]" 1
757 1 71 ILE HA 1 71 ILE MG 1.800 . 3.000 2.293 2.207 2.394 . 0 0 "[ . 1 . 2]" 1
758 1 71 ILE HA 1 71 ILE MD 1.800 . 4.000 3.457 1.983 3.951 . 0 0 "[ . 1 . 2]" 1
759 1 71 ILE HA 1 72 LYS H 1.800 . 3.000 2.239 2.176 2.312 . 0 0 "[ . 1 . 2]" 1
760 1 71 ILE HB 1 72 LYS H 1.800 . 4.000 3.861 3.666 4.032 0.032 5 0 "[ . 1 . 2]" 1
761 1 71 ILE MG 1 72 LYS H 1.800 . 3.000 2.207 2.025 2.497 . 0 0 "[ . 1 . 2]" 1
762 1 71 ILE QG 1 72 LYS H 1.800 . 5.000 4.273 4.109 4.702 . 0 0 "[ . 1 . 2]" 1
763 1 72 LYS H 1 72 LYS QB 1.800 . 3.000 2.539 2.170 2.962 . 0 0 "[ . 1 . 2]" 1
764 1 72 LYS H 1 72 LYS QG 1.800 . 4.500 2.900 1.971 4.042 . 0 0 "[ . 1 . 2]" 1
765 1 72 LYS H 1 72 LYS QD 1.800 . 5.000 3.653 2.118 4.510 . 0 0 "[ . 1 . 2]" 1
766 1 72 LYS H 1 73 VAL H 1.800 . 5.000 4.488 4.311 4.581 . 0 0 "[ . 1 . 2]" 1
767 1 59 ALA HA 1 72 LYS HA 1.800 . 3.500 2.846 2.283 3.400 . 0 0 "[ . 1 . 2]" 1
768 1 72 LYS HA 1 72 LYS QG 1.800 . 4.000 2.693 2.063 3.397 . 0 0 "[ . 1 . 2]" 1
769 1 58 PHE H 1 73 VAL H 1.800 . 5.000 4.236 3.613 4.978 . 0 0 "[ . 1 . 2]" 1
770 1 58 PHE QB 1 73 VAL H 1.800 . 5.000 4.213 3.173 4.901 . 0 0 "[ . 1 . 2]" 1
771 1 59 ALA HA 1 73 VAL H 1.800 . 4.000 2.859 2.181 3.229 . 0 0 "[ . 1 . 2]" 1
772 1 59 ALA MB 1 73 VAL H 1.800 . 5.000 3.812 3.184 4.261 . 0 0 "[ . 1 . 2]" 1
773 1 72 LYS HA 1 73 VAL H 1.800 . 3.000 2.192 2.137 2.304 . 0 0 "[ . 1 . 2]" 1
774 1 72 LYS QB 1 73 VAL H 1.800 . 4.500 3.115 2.665 3.509 . 0 0 "[ . 1 . 2]" 1
775 1 72 LYS QG 1 73 VAL H 1.800 . 4.500 3.907 2.846 4.426 . 0 0 "[ . 1 . 2]" 1
776 1 73 VAL H 1 73 VAL HB 1.800 . 3.500 2.735 2.634 2.872 . 0 0 "[ . 1 . 2]" 1
777 1 73 VAL H 1 73 VAL MG1 1.800 . 5.000 3.881 3.783 3.946 . 0 0 "[ . 1 . 2]" 1
778 1 73 VAL H 1 73 VAL MG2 1.800 . 5.000 2.471 2.046 2.790 . 0 0 "[ . 1 . 2]" 1
779 1 73 VAL H 1 74 VAL H 1.800 . 5.000 4.438 4.127 4.632 . 0 0 "[ . 1 . 2]" 1
780 1 73 VAL HA 1 73 VAL MG1 1.800 . 3.000 2.295 2.171 2.393 . 0 0 "[ . 1 . 2]" 1
781 1 73 VAL HA 1 73 VAL MG2 1.800 . 3.000 2.501 2.426 2.565 . 0 0 "[ . 1 . 2]" 1
782 1 58 PHE HB3 1 73 VAL MG1 1.800 . 4.500 3.822 2.955 4.387 . 0 0 "[ . 1 . 2]" 1
783 1 58 PHE HB2 1 73 VAL MG1 1.800 . 4.500 3.203 2.647 3.771 . 0 0 "[ . 1 . 2]" 1
784 1 58 PHE HB3 1 73 VAL MG2 1.800 . 4.500 3.133 2.171 3.797 . 0 0 "[ . 1 . 2]" 1
785 1 58 PHE HB2 1 73 VAL MG2 1.800 . 4.500 3.474 2.866 4.481 . 0 0 "[ . 1 . 2]" 1
786 1 58 PHE QB 1 73 VAL QG 1.800 . 3.000 2.576 2.038 2.958 . 0 0 "[ . 1 . 2]" 1
787 1 58 PHE QD 1 73 VAL MG1 1.800 . 5.000 4.083 3.277 4.796 . 0 0 "[ . 1 . 2]" 1
788 1 58 PHE QD 1 73 VAL MG2 1.800 . 5.000 4.511 3.408 4.980 . 0 0 "[ . 1 . 2]" 1
789 1 73 VAL QG 1 82 ILE MG 1.800 . 3.500 1.902 1.786 2.235 0.014 18 0 "[ . 1 . 2]" 1
790 1 73 VAL MG1 1 82 ILE MG 1.800 . 4.000 2.424 1.991 2.819 . 0 0 "[ . 1 . 2]" 1
791 1 73 VAL MG2 1 82 ILE MG 1.800 . 4.000 2.004 1.867 2.344 . 0 0 "[ . 1 . 2]" 1
792 1 73 VAL QG 1 91 LEU MD1 1.800 . 5.000 2.986 2.080 3.786 . 0 0 "[ . 1 . 2]" 1
793 1 73 VAL QG 1 91 LEU MD2 1.800 . 5.000 2.388 1.943 3.094 . 0 0 "[ . 1 . 2]" 1
794 1 73 VAL QG 1 91 LEU QD 1.800 . 4.000 2.249 1.913 2.870 . 0 0 "[ . 1 . 2]" 1
795 1 73 VAL QG 1 80 ILE HA 1.800 . 5.000 3.909 3.583 4.204 . 0 0 "[ . 1 . 2]" 1
796 1 73 VAL QG 1 81 HIS HA 1.800 . 4.500 3.612 3.024 4.263 . 0 0 "[ . 1 . 2]" 1
797 1 73 VAL QG 1 82 ILE HA 1.800 . 5.000 3.184 2.554 3.544 . 0 0 "[ . 1 . 2]" 1
798 1 60 ILE MD 1 73 VAL QG 1.800 . 3.500 1.990 1.824 2.323 . 0 0 "[ . 1 . 2]" 1
799 1 73 VAL HA 1 74 VAL H 1.800 . 3.000 2.218 2.149 2.318 . 0 0 "[ . 1 . 2]" 1
800 1 74 VAL H 1 74 VAL HA 1.800 . 3.000 2.948 2.932 2.953 . 0 0 "[ . 1 . 2]" 1
801 1 74 VAL H 1 74 VAL HB 1.800 . 3.000 2.711 2.626 2.797 . 0 0 "[ . 1 . 2]" 1
802 1 74 VAL H 1 74 VAL QG 1.800 . 3.000 2.550 2.367 2.735 . 0 0 "[ . 1 . 2]" 1
803 1 74 VAL H 1 74 VAL MG1 1.800 . 5.000 3.886 3.842 3.926 . 0 0 "[ . 1 . 2]" 1
804 1 74 VAL H 1 74 VAL MG2 1.800 . 5.000 2.586 2.390 2.792 . 0 0 "[ . 1 . 2]" 1
805 1 74 VAL H 1 81 HIS H 1.800 . 5.000 3.186 2.837 3.617 . 0 0 "[ . 1 . 2]" 1
806 1 74 VAL QG 1 82 ILE HA 1.800 . 5.000 3.612 2.867 4.245 . 0 0 "[ . 1 . 2]" 1
807 1 74 VAL H 1 82 ILE MG 1.800 . 5.000 3.772 3.210 4.134 . 0 0 "[ . 1 . 2]" 1
808 1 74 VAL QG 1 75 GLU HA 1.800 . 5.000 3.765 3.561 4.023 . 0 0 "[ . 1 . 2]" 1
809 1 74 VAL HA 1 74 VAL MG1 1.800 . 3.000 2.309 2.215 2.385 . 0 0 "[ . 1 . 2]" 1
810 1 74 VAL HA 1 74 VAL MG2 1.800 . 3.000 2.446 2.359 2.517 . 0 0 "[ . 1 . 2]" 1
811 1 56 GLU HA 1 74 VAL HA 1.800 . 4.000 3.269 2.303 4.034 0.034 18 0 "[ . 1 . 2]" 1
812 1 56 GLU QG 1 74 VAL HA 1.800 . 4.000 3.351 2.290 4.011 0.011 7 0 "[ . 1 . 2]" 1
813 1 56 GLU HA 1 74 VAL QG 1.800 . 5.000 3.496 2.371 4.351 . 0 0 "[ . 1 . 2]" 1
814 1 56 GLU QG 1 74 VAL MG1 1.800 . 5.000 3.564 1.843 4.316 . 0 0 "[ . 1 . 2]" 1
815 1 56 GLU QG 1 74 VAL MG2 1.800 . 5.000 2.937 2.241 4.195 . 0 0 "[ . 1 . 2]" 1
816 1 56 GLU QG 1 74 VAL QG 1.800 . 3.000 2.527 1.839 3.008 0.008 7 0 "[ . 1 . 2]" 1
817 1 74 VAL QG 1 76 LYS HA 1.800 . 5.000 4.562 3.408 5.002 0.002 1 0 "[ . 1 . 2]" 1
818 1 74 VAL QG 1 76 LYS QD 1.800 . 4.000 2.710 1.848 3.995 . 0 0 "[ . 1 . 2]" 1
819 1 74 VAL QG 1 76 LYS QG 1.800 . 5.000 3.633 2.147 4.504 . 0 0 "[ . 1 . 2]" 1
820 1 74 VAL QG 1 76 LYS QE 1.800 . 4.000 3.202 2.157 3.983 . 0 0 "[ . 1 . 2]" 1
821 1 74 VAL HA 1 75 GLU H 1.800 . 3.000 2.175 2.140 2.227 . 0 0 "[ . 1 . 2]" 1
822 1 74 VAL HB 1 75 GLU H 1.800 . 5.000 4.068 3.872 4.308 . 0 0 "[ . 1 . 2]" 1
823 1 74 VAL QG 1 75 GLU H 1.800 . 3.000 2.500 2.238 2.966 . 0 0 "[ . 1 . 2]" 1
824 1 75 GLU H 1 75 GLU HA 1.800 . 3.000 2.942 2.905 2.952 . 0 0 "[ . 1 . 2]" 1
825 1 75 GLU H 1 75 GLU HB2 1.800 . 4.000 2.732 2.319 2.974 . 0 0 "[ . 1 . 2]" 1
826 1 75 GLU H 1 75 GLU HB3 1.800 . 4.000 2.852 2.578 3.166 . 0 0 "[ . 1 . 2]" 1
827 1 75 GLU H 1 75 GLU QB 1.800 . 3.000 2.463 2.264 2.596 . 0 0 "[ . 1 . 2]" 1
828 1 75 GLU H 1 76 LYS H 1.800 . 5.000 4.240 4.002 4.428 . 0 0 "[ . 1 . 2]" 1
829 1 75 GLU HA 1 75 GLU QG 1.800 . 3.000 2.256 2.017 2.405 . 0 0 "[ . 1 . 2]" 1
830 1 75 GLU HA 1 80 ILE HA 1.800 . 3.000 2.350 2.080 2.853 . 0 0 "[ . 1 . 2]" 1
831 1 75 GLU HA 1 80 ILE HB 1.800 . 4.000 3.481 3.149 3.679 . 0 0 "[ . 1 . 2]" 1
832 1 75 GLU HA 1 80 ILE QG 1.800 . 4.000 3.683 3.095 3.988 . 0 0 "[ . 1 . 2]" 1
833 1 75 GLU HG3 1 80 ILE HA 1.800 . 5.000 3.767 2.850 4.954 . 0 0 "[ . 1 . 2]" 1
834 1 75 GLU HG2 1 80 ILE HA 1.800 . 5.000 3.795 2.214 4.944 . 0 0 "[ . 1 . 2]" 1
835 1 75 GLU HG3 1 80 ILE HB 1.800 . 5.000 2.623 1.975 3.883 . 0 0 "[ . 1 . 2]" 1
836 1 75 GLU HG2 1 80 ILE HB 1.800 . 5.000 3.348 2.023 4.416 . 0 0 "[ . 1 . 2]" 1
837 1 75 GLU HG3 1 80 ILE MD 1.800 . 4.000 2.251 1.852 2.801 . 0 0 "[ . 1 . 2]" 1
838 1 75 GLU HG2 1 80 ILE MD 1.800 . 4.000 3.256 2.441 3.797 . 0 0 "[ . 1 . 2]" 1
839 1 75 GLU QG 1 80 ILE MD 1.800 . 3.000 2.200 1.811 2.589 . 0 0 "[ . 1 . 2]" 1
840 1 75 GLU HA 1 76 LYS H 1.800 . 3.000 2.174 2.146 2.226 . 0 0 "[ . 1 . 2]" 1
841 1 76 LYS H 1 76 LYS HA 1.800 . 3.000 2.885 2.836 2.933 . 0 0 "[ . 1 . 2]" 1
842 1 76 LYS H 1 76 LYS QG 1.800 . 5.000 3.733 2.283 4.311 . 0 0 "[ . 1 . 2]" 1
843 1 76 LYS H 1 76 LYS QB 1.800 . 3.500 2.712 2.077 3.295 . 0 0 "[ . 1 . 2]" 1
844 1 76 LYS H 1 77 ASP H 1.800 . 5.000 4.381 4.212 4.597 . 0 0 "[ . 1 . 2]" 1
845 1 76 LYS H 1 78 ASN H 1.800 . 5.000 4.482 4.121 4.940 . 0 0 "[ . 1 . 2]" 1
846 1 76 LYS H 1 79 TRP H 1.800 . 3.500 3.056 2.712 3.419 . 0 0 "[ . 1 . 2]" 1
847 1 76 LYS H 1 79 TRP QB 1.800 . 6.000 3.758 3.438 4.079 . 0 0 "[ . 1 . 2]" 1
848 1 76 LYS H 1 80 ILE HA 1.800 . 4.000 3.404 2.796 3.695 . 0 0 "[ . 1 . 2]" 1
849 1 74 VAL QG 1 76 LYS HB3 1.800 . 5.000 4.388 3.206 5.004 0.004 17 0 "[ . 1 . 2]" 1
850 1 74 VAL QG 1 76 LYS HB2 1.800 . 5.000 3.417 2.608 4.811 . 0 0 "[ . 1 . 2]" 1
851 1 76 LYS HA 1 76 LYS QG 1.800 . 4.000 2.332 2.028 3.351 . 0 0 "[ . 1 . 2]" 1
852 1 76 LYS HA 1 76 LYS QE 1.800 . 5.000 4.323 3.008 4.868 . 0 0 "[ . 1 . 2]" 1
853 1 76 LYS H 1 80 ILE MD 1.800 . 5.000 4.558 3.736 5.021 0.021 13 0 "[ . 1 . 2]" 1
854 1 76 LYS HA 1 77 ASP H 1.800 . 3.000 2.351 2.195 2.612 . 0 0 "[ . 1 . 2]" 1
855 1 76 LYS QB 1 77 ASP H 1.800 . 4.000 2.824 2.032 3.217 . 0 0 "[ . 1 . 2]" 1
856 1 76 LYS QG 1 77 ASP H 1.800 . 4.000 3.083 1.981 4.035 0.035 16 0 "[ . 1 . 2]" 1
857 1 77 ASP H 1 77 ASP HA 1.800 . 3.000 2.345 2.271 2.764 . 0 0 "[ . 1 . 2]" 1
858 1 77 ASP H 1 78 ASN H 1.800 . 3.000 2.771 2.681 2.958 . 0 0 "[ . 1 . 2]" 1
859 1 77 ASP H 1 79 TRP H 1.800 . 5.000 4.142 3.856 4.258 . 0 0 "[ . 1 . 2]" 1
860 1 76 LYS HA 1 78 ASN H 1.800 . 5.000 3.664 3.270 4.584 . 0 0 "[ . 1 . 2]" 1
861 1 77 ASP HA 1 78 ASN H 1.800 . 4.000 2.966 2.603 3.551 . 0 0 "[ . 1 . 2]" 1
862 1 77 ASP QB 1 78 ASN H 1.800 . 4.000 3.658 2.566 3.969 . 0 0 "[ . 1 . 2]" 1
863 1 78 ASN H 1 78 ASN HA 1.800 . 3.000 2.363 2.265 2.908 . 0 0 "[ . 1 . 2]" 1
864 1 78 ASN H 1 78 ASN HB3 1.800 . 4.000 3.803 2.991 4.007 0.007 4 0 "[ . 1 . 2]" 1
865 1 78 ASN H 1 78 ASN HB2 1.800 . 4.000 3.329 2.764 3.967 . 0 0 "[ . 1 . 2]" 1
866 1 78 ASN H 1 79 TRP H 1.800 . 3.000 2.564 2.137 2.879 . 0 0 "[ . 1 . 2]" 1
867 1 75 GLU HA 1 79 TRP H 1.800 . 5.000 4.467 4.304 4.962 . 0 0 "[ . 1 . 2]" 1
868 1 77 ASP QB 1 79 TRP H 1.800 . 4.500 3.854 3.687 4.509 0.009 18 0 "[ . 1 . 2]" 1
869 1 78 ASN HA 1 79 TRP H 1.800 . 3.000 2.960 2.888 3.002 0.002 3 0 "[ . 1 . 2]" 1
870 1 78 ASN HB3 1 79 TRP H 1.800 . 5.000 4.281 4.050 4.661 . 0 0 "[ . 1 . 2]" 1
871 1 78 ASN HB2 1 79 TRP H 1.800 . 5.000 4.351 4.070 4.535 . 0 0 "[ . 1 . 2]" 1
872 1 79 TRP H 1 79 TRP HB3 1.800 . 4.000 3.767 3.662 3.937 . 0 0 "[ . 1 . 2]" 1
873 1 79 TRP H 1 79 TRP HB2 1.800 . 4.000 2.691 2.554 2.941 . 0 0 "[ . 1 . 2]" 1
874 1 79 TRP H 1 79 TRP QB 1.800 . 3.000 2.635 2.510 2.863 . 0 0 "[ . 1 . 2]" 1
875 1 79 TRP H 1 79 TRP HD1 1.800 . 4.000 3.465 2.799 3.847 . 0 0 "[ . 1 . 2]" 1
876 1 79 TRP H 1 80 ILE H 1.800 . 5.000 4.417 4.279 4.471 . 0 0 "[ . 1 . 2]" 1
877 1 79 TRP HA 1 89 ASP HA 1.800 . 3.500 2.911 2.016 3.446 . 0 0 "[ . 1 . 2]" 1
878 1 79 TRP HA 1 80 ILE MG 1.800 . 5.000 3.751 3.528 3.897 . 0 0 "[ . 1 . 2]" 1
879 1 79 TRP HA 1 79 TRP HD1 1.800 . 4.000 3.812 3.417 4.055 0.055 18 0 "[ . 1 . 2]" 1
880 1 77 ASP QB 1 79 TRP HE1 1.800 . 5.000 4.901 4.348 5.046 0.046 19 0 "[ . 1 . 2]" 1
881 1 79 TRP HA 1 79 TRP HE3 1.800 . 4.000 3.569 3.147 4.016 0.016 8 0 "[ . 1 . 2]" 1
882 1 79 TRP HE3 1 89 ASP HA 1.800 . 5.000 3.731 3.190 4.515 . 0 0 "[ . 1 . 2]" 1
883 1 79 TRP HE3 1 88 PHE HA 1.800 . 5.000 3.456 2.911 4.245 . 0 0 "[ . 1 . 2]" 1
884 1 79 TRP HA 1 80 ILE H 1.800 . 3.000 2.353 2.204 2.553 . 0 0 "[ . 1 . 2]" 1
885 1 79 TRP HE3 1 80 ILE H 1.800 . 5.000 3.277 2.626 4.348 . 0 0 "[ . 1 . 2]" 1
886 1 80 ILE H 1 87 LYS HA 1.800 . 5.000 4.835 3.995 5.038 0.038 19 0 "[ . 1 . 2]" 1
887 1 79 TRP HB3 1 80 ILE H 1.800 . 4.000 2.652 2.216 3.121 . 0 0 "[ . 1 . 2]" 1
888 1 79 TRP HB2 1 80 ILE H 1.800 . 4.000 3.891 3.173 4.050 0.050 3 0 "[ . 1 . 2]" 1
889 1 80 ILE H 1 80 ILE HB 1.800 . 4.000 3.171 2.980 3.417 . 0 0 "[ . 1 . 2]" 1
890 1 80 ILE H 1 80 ILE MG 1.800 . 3.000 2.270 2.060 2.536 . 0 0 "[ . 1 . 2]" 1
891 1 80 ILE H 1 88 PHE QB 1.800 . 5.000 3.881 3.414 4.465 . 0 0 "[ . 1 . 2]" 1
892 1 80 ILE HA 1 80 ILE HG13 1.800 . 4.000 2.449 2.295 2.619 . 0 0 "[ . 1 . 2]" 1
893 1 80 ILE HA 1 80 ILE HG12 1.800 . 4.000 3.644 3.443 3.719 . 0 0 "[ . 1 . 2]" 1
894 1 75 GLU QG 1 80 ILE MG 1.800 . 5.000 3.845 3.352 4.780 . 0 0 "[ . 1 . 2]" 1
895 1 80 ILE HA 1 80 ILE MG 1.800 . 4.000 3.211 3.203 3.217 . 0 0 "[ . 1 . 2]" 1
896 1 80 ILE MG 1 81 HIS HA 1.800 . 4.500 3.772 3.585 4.016 . 0 0 "[ . 1 . 2]" 1
897 1 80 ILE MG 1 88 PHE HB3 1.800 . 5.000 3.436 2.917 4.041 . 0 0 "[ . 1 . 2]" 1
898 1 80 ILE MG 1 88 PHE HB2 1.800 . 5.000 2.449 1.980 3.017 . 0 0 "[ . 1 . 2]" 1
899 1 80 ILE MG 1 88 PHE QB 1.800 . 4.000 2.396 1.955 2.938 . 0 0 "[ . 1 . 2]" 1
900 1 80 ILE MG 1 88 PHE QD 1.800 . 5.000 3.766 3.118 4.177 . 0 0 "[ . 1 . 2]" 1
901 1 80 ILE MG 1 91 LEU HA 1.800 . 3.500 2.328 1.904 2.933 . 0 0 "[ . 1 . 2]" 1
902 1 80 ILE MG 1 91 LEU HG 1.800 . 3.000 2.811 2.374 2.989 . 0 0 "[ . 1 . 2]" 1
903 1 80 ILE MG 1 91 LEU MD1 1.800 . 5.000 3.796 3.313 4.180 . 0 0 "[ . 1 . 2]" 1
904 1 80 ILE MG 1 91 LEU MD2 1.800 . 5.000 3.751 3.047 4.064 . 0 0 "[ . 1 . 2]" 1
905 1 75 GLU HA 1 80 ILE MD 1.800 . 4.000 2.753 2.004 3.359 . 0 0 "[ . 1 . 2]" 1
906 1 75 GLU QB 1 80 ILE MD 1.800 . 4.000 2.090 1.829 3.004 . 0 0 "[ . 1 . 2]" 1
907 1 80 ILE HA 1 80 ILE MD 1.800 . 4.000 2.869 2.416 3.435 . 0 0 "[ . 1 . 2]" 1
908 1 80 ILE HB 1 80 ILE MD 1.800 . 3.000 2.104 1.995 2.231 . 0 0 "[ . 1 . 2]" 1
909 1 80 ILE MD 1 91 LEU QD 1.800 . 4.000 2.162 1.852 3.435 . 0 0 "[ . 1 . 2]" 1
910 1 75 GLU HA 1 80 ILE HG13 1.800 . 5.000 3.803 3.140 4.185 . 0 0 "[ . 1 . 2]" 1
911 1 75 GLU HA 1 80 ILE HG12 1.800 . 5.000 4.982 4.692 5.032 0.032 11 0 "[ . 1 . 2]" 1
912 1 75 GLU QB 1 80 ILE HB 1.800 . 5.000 3.785 3.060 4.963 . 0 0 "[ . 1 . 2]" 1
913 1 80 ILE MG 1 90 SER HA 1.800 . 5.000 2.981 2.365 3.663 . 0 0 "[ . 1 . 2]" 1
914 1 73 VAL HA 1 81 HIS H 1.800 . 5.000 4.721 4.467 4.993 . 0 0 "[ . 1 . 2]" 1
915 1 74 VAL HB 1 81 HIS H 1.800 . 5.000 3.863 3.295 4.698 . 0 0 "[ . 1 . 2]" 1
916 1 80 ILE HA 1 81 HIS H 1.800 . 3.000 2.189 2.156 2.226 . 0 0 "[ . 1 . 2]" 1
917 1 81 HIS H 1 82 ILE H 1.800 . 5.000 4.221 4.099 4.332 . 0 0 "[ . 1 . 2]" 1
918 1 80 ILE HB 1 81 HIS H 1.800 . 4.500 4.149 4.082 4.237 . 0 0 "[ . 1 . 2]" 1
919 1 80 ILE MG 1 81 HIS H 1.800 . 4.000 3.832 3.691 3.991 . 0 0 "[ . 1 . 2]" 1
920 1 81 HIS HA 1 94 LEU QB 1.800 . 5.000 4.284 3.411 4.988 . 0 0 "[ . 1 . 2]" 1
921 1 81 HIS HA 1 94 LEU QD 1.800 . 3.000 2.115 1.809 2.503 . 0 0 "[ . 1 . 2]" 1
922 1 81 HIS HA 1 87 LYS HA 1.800 . 5.000 4.010 3.268 4.842 . 0 0 "[ . 1 . 2]" 1
923 1 73 VAL QG 1 82 ILE H 1.800 . 5.000 3.653 3.089 4.299 . 0 0 "[ . 1 . 2]" 1
924 1 81 HIS HA 1 82 ILE H 1.800 . 3.500 2.226 2.146 2.295 . 0 0 "[ . 1 . 2]" 1
925 1 81 HIS HB3 1 82 ILE H 1.800 . 4.500 3.936 3.729 4.109 . 0 0 "[ . 1 . 2]" 1
926 1 81 HIS HB2 1 82 ILE H 1.800 . 4.500 3.103 2.646 4.302 . 0 0 "[ . 1 . 2]" 1
927 1 82 ILE H 1 82 ILE MD 1.800 . 5.000 3.745 3.689 3.817 . 0 0 "[ . 1 . 2]" 1
928 1 82 ILE H 1 82 ILE MG 1.800 . 3.500 2.587 2.354 2.847 . 0 0 "[ . 1 . 2]" 1
929 1 82 ILE H 1 82 ILE QG 1.800 . 5.000 2.056 1.987 2.165 . 0 0 "[ . 1 . 2]" 1
930 1 82 ILE H 1 82 ILE HB 1.800 . 4.000 3.654 3.617 3.723 . 0 0 "[ . 1 . 2]" 1
931 1 82 ILE H 1 83 THR H 1.800 . 3.000 2.416 2.191 2.706 . 0 0 "[ . 1 . 2]" 1
932 1 74 VAL HB 1 82 ILE HA 1.800 . 5.000 4.652 3.982 5.008 0.008 9 0 "[ . 1 . 2]" 1
933 1 82 ILE HA 1 82 ILE MG 1.800 . 3.000 2.287 2.163 2.375 . 0 0 "[ . 1 . 2]" 1
934 1 82 ILE HA 1 82 ILE QG 1.800 . 5.000 3.327 3.311 3.362 . 0 0 "[ . 1 . 2]" 1
935 1 73 VAL HA 1 82 ILE HB 1.800 . 5.000 4.004 3.691 4.372 . 0 0 "[ . 1 . 2]" 1
936 1 73 VAL HA 1 82 ILE MG 1.800 . 3.000 2.343 1.907 2.761 . 0 0 "[ . 1 . 2]" 1
937 1 82 ILE MD 1 82 ILE MG 1.800 . 3.500 2.239 1.828 2.955 . 0 0 "[ . 1 . 2]" 1
938 1 71 ILE MG 1 82 ILE MD 1.800 . 3.500 2.310 1.854 2.940 . 0 0 "[ . 1 . 2]" 1
939 1 82 ILE HA 1 82 ILE MD 1.800 . 5.000 4.141 3.869 4.188 . 0 0 "[ . 1 . 2]" 1
940 1 82 ILE HB 1 82 ILE MD 1.800 . 3.500 2.280 2.099 2.428 . 0 0 "[ . 1 . 2]" 1
941 1 82 ILE MD 1 98 TYR QE 1.800 . 4.000 3.578 2.966 4.024 0.024 7 0 "[ . 1 . 2]" 1
942 1 82 ILE MD 1 103 LEU QD 1.800 . 4.000 3.149 2.530 3.997 . 0 0 "[ . 1 . 2]" 1
943 1 82 ILE MD 1 106 SER QB 1.800 . 4.000 2.916 2.182 3.845 . 0 0 "[ . 1 . 2]" 1
944 1 81 HIS HA 1 83 THR H 1.800 . 4.000 3.936 3.770 4.021 0.021 16 0 "[ . 1 . 2]" 1
945 1 81 HIS QB 1 83 THR H 1.800 . 4.000 2.828 2.269 3.923 . 0 0 "[ . 1 . 2]" 1
946 1 81 HIS HB3 1 83 THR H 1.800 . 5.000 4.308 3.272 4.605 . 0 0 "[ . 1 . 2]" 1
947 1 81 HIS HB2 1 83 THR H 1.800 . 5.000 3.031 2.282 4.985 . 0 0 "[ . 1 . 2]" 1
948 1 81 HIS HD2 1 83 THR H 1.800 . 5.000 3.792 2.443 4.943 . 0 0 "[ . 1 . 2]" 1
949 1 82 ILE MD 1 83 THR H 1.800 . 5.000 3.927 3.007 4.955 . 0 0 "[ . 1 . 2]" 1
950 1 83 THR H 1 83 THR HB 1.800 . 4.000 3.326 3.121 3.686 . 0 0 "[ . 1 . 2]" 1
951 1 83 THR H 1 83 THR MG 1.800 . 3.500 2.343 2.090 2.597 . 0 0 "[ . 1 . 2]" 1
952 1 83 THR H 1 84 GLU H 1.800 . 5.000 4.327 4.131 4.392 . 0 0 "[ . 1 . 2]" 1
953 1 83 THR H 1 86 LYS H 1.800 . 5.000 4.437 3.621 5.009 0.009 14 0 "[ . 1 . 2]" 1
954 1 83 THR HB 1 106 SER QB 1.800 . 4.000 3.428 2.150 3.993 . 0 0 "[ . 1 . 2]" 1
955 1 83 THR MG 1 106 SER HA 1.800 . 4.000 3.435 2.727 3.900 . 0 0 "[ . 1 . 2]" 1
956 1 83 THR MG 1 106 SER QB 1.800 . 3.000 2.258 1.872 2.757 . 0 0 "[ . 1 . 2]" 1
957 1 83 THR HA 1 83 THR MG 1.800 . 4.000 3.227 3.210 3.241 . 0 0 "[ . 1 . 2]" 1
958 1 82 ILE MD 1 83 THR MG 1.800 . 3.500 2.794 2.185 3.494 . 0 0 "[ . 1 . 2]" 1
959 1 82 ILE HB 1 83 THR HB 1.800 . 5.000 4.170 3.973 4.457 . 0 0 "[ . 1 . 2]" 1
960 1 83 THR MG 1 84 GLU HA 1.800 . 5.000 4.113 3.826 4.475 . 0 0 "[ . 1 . 2]" 1
961 1 83 THR HA 1 84 GLU H 1.800 . 3.000 2.714 2.554 3.015 0.015 14 0 "[ . 1 . 2]" 1
962 1 83 THR HB 1 84 GLU H 1.800 . 3.500 3.523 3.395 3.567 0.067 19 0 "[ . 1 . 2]" 1
963 1 83 THR MG 1 84 GLU H 1.800 . 4.000 2.949 2.233 3.489 . 0 0 "[ . 1 . 2]" 1
964 1 84 GLU H 1 84 GLU HA 1.800 . 3.000 2.932 2.910 2.949 . 0 0 "[ . 1 . 2]" 1
965 1 84 GLU H 1 84 GLU QB 1.800 . 3.000 2.328 2.191 2.603 . 0 0 "[ . 1 . 2]" 1
966 1 84 GLU H 1 84 GLU HG3 1.800 . 4.500 3.831 2.764 4.526 0.026 14 0 "[ . 1 . 2]" 1
967 1 84 GLU H 1 84 GLU HG2 1.800 . 4.500 3.975 2.791 4.476 . 0 0 "[ . 1 . 2]" 1
968 1 84 GLU H 1 84 GLU QG 1.800 . 4.000 3.380 2.553 3.988 . 0 0 "[ . 1 . 2]" 1
969 1 84 GLU H 1 85 ALA H 1.800 . 3.000 2.921 2.572 3.034 0.034 6 0 "[ . 1 . 2]" 1
970 1 84 GLU HA 1 84 GLU QG 1.800 . 3.000 2.287 2.030 2.732 . 0 0 "[ . 1 . 2]" 1
971 1 84 GLU HA 1 85 ALA H 1.800 . 3.500 2.860 2.704 2.962 . 0 0 "[ . 1 . 2]" 1
972 1 84 GLU QB 1 85 ALA H 1.800 . 4.500 3.835 3.779 3.896 . 0 0 "[ . 1 . 2]" 1
973 1 85 ALA H 1 85 ALA HA 1.800 . 3.000 2.929 2.884 2.946 . 0 0 "[ . 1 . 2]" 1
974 1 85 ALA H 1 85 ALA MB 1.800 . 3.000 2.338 2.194 2.801 . 0 0 "[ . 1 . 2]" 1
975 1 85 ALA H 1 86 LYS H 1.800 . 3.000 2.180 2.059 2.463 . 0 0 "[ . 1 . 2]" 1
976 1 84 GLU QB 1 85 ALA HA 1.800 . 5.000 4.273 4.217 4.450 . 0 0 "[ . 1 . 2]" 1
977 1 81 HIS HA 1 86 LYS H 1.800 . 6.000 5.898 5.249 6.064 0.064 4 0 "[ . 1 . 2]" 1
978 1 81 HIS QB 1 86 LYS H 1.800 . 6.000 3.972 3.750 5.524 . 0 0 "[ . 1 . 2]" 1
979 1 84 GLU HA 1 86 LYS H 1.800 . 5.000 4.075 3.833 4.919 . 0 0 "[ . 1 . 2]" 1
980 1 84 GLU QB 1 86 LYS H 1.800 . 6.000 5.380 5.177 5.746 . 0 0 "[ . 1 . 2]" 1
981 1 84 GLU H 1 86 LYS H 1.800 . 5.000 4.980 4.460 5.055 0.055 20 0 "[ . 1 . 2]" 1
982 1 85 ALA HA 1 86 LYS H 1.800 . 4.000 3.542 3.521 3.588 . 0 0 "[ . 1 . 2]" 1
983 1 85 ALA MB 1 86 LYS H 1.800 . 3.000 2.650 2.347 2.812 . 0 0 "[ . 1 . 2]" 1
984 1 86 LYS H 1 86 LYS HA 1.800 . 3.000 2.882 2.827 2.920 . 0 0 "[ . 1 . 2]" 1
985 1 86 LYS H 1 86 LYS QB 1.800 . 3.500 2.752 2.319 2.936 . 0 0 "[ . 1 . 2]" 1
986 1 86 LYS H 1 87 LYS H 1.800 . 4.000 3.999 3.513 4.053 0.053 3 0 "[ . 1 . 2]" 1
987 1 86 LYS HA 1 86 LYS QE 1.800 . 4.000 3.663 2.904 4.021 0.021 4 0 "[ . 1 . 2]" 1
988 1 86 LYS HA 1 86 LYS QD 1.800 . 3.000 2.212 1.989 3.003 0.003 1 0 "[ . 1 . 2]" 1
989 1 86 LYS HA 1 86 LYS QG 1.800 . 4.000 2.556 2.132 2.907 . 0 0 "[ . 1 . 2]" 1
990 1 86 LYS QE 1 97 TYR QE 1.800 . 4.000 3.407 2.602 4.032 0.032 7 0 "[ . 1 . 2]" 1
991 1 86 LYS QD 1 97 TYR QE 1.800 . 6.000 4.418 3.215 5.328 . 0 0 "[ . 1 . 2]" 1
992 1 86 LYS HA 1 87 LYS H 1.800 . 3.000 2.163 2.133 2.326 . 0 0 "[ . 1 . 2]" 1
993 1 86 LYS QB 1 87 LYS H 1.800 . 4.000 3.628 3.402 3.840 . 0 0 "[ . 1 . 2]" 1
994 1 86 LYS QD 1 87 LYS H 1.800 . 4.000 3.286 2.516 4.033 0.033 6 0 "[ . 1 . 2]" 1
995 1 86 LYS QE 1 87 LYS H 1.800 . 6.000 4.638 3.040 5.610 . 0 0 "[ . 1 . 2]" 1
996 1 87 LYS H 1 87 LYS HA 1.800 . 3.000 2.917 2.820 2.945 . 0 0 "[ . 1 . 2]" 1
997 1 87 LYS H 1 87 LYS QB 1.800 . 3.000 2.560 2.271 2.948 . 0 0 "[ . 1 . 2]" 1
998 1 87 LYS H 1 87 LYS QG 1.800 . 3.000 2.420 1.942 2.852 . 0 0 "[ . 1 . 2]" 1
999 1 87 LYS H 1 88 PHE H 1.800 . 5.000 4.561 4.326 4.639 . 0 0 "[ . 1 . 2]" 1
1000 1 81 HIS QB 1 87 LYS HA 1.800 . 3.000 2.017 1.895 2.547 . 0 0 "[ . 1 . 2]" 1
1001 1 79 TRP HB3 1 87 LYS QE 1.800 . 5.000 3.927 2.054 4.745 . 0 0 "[ . 1 . 2]" 1
1002 1 79 TRP HB2 1 87 LYS QE 1.800 . 5.000 4.247 2.776 4.932 . 0 0 "[ . 1 . 2]" 1
1003 1 79 TRP HA 1 88 PHE H 1.800 . 5.000 4.848 4.324 5.021 0.021 6 0 "[ . 1 . 2]" 1
1004 1 79 TRP QB 1 88 PHE H 1.800 . 4.000 3.780 3.320 4.026 0.026 1 0 "[ . 1 . 2]" 1
1005 1 80 ILE MG 1 88 PHE H 1.800 . 4.000 3.356 2.948 3.634 . 0 0 "[ . 1 . 2]" 1
1006 1 80 ILE H 1 88 PHE H 1.800 . 4.000 3.076 2.667 3.265 . 0 0 "[ . 1 . 2]" 1
1007 1 81 HIS HA 1 88 PHE H 1.800 . 5.000 4.145 3.637 4.499 . 0 0 "[ . 1 . 2]" 1
1008 1 87 LYS HA 1 88 PHE H 1.800 . 3.000 2.268 2.136 2.358 . 0 0 "[ . 1 . 2]" 1
1009 1 87 LYS QB 1 88 PHE H 1.800 . 4.000 2.826 2.548 3.474 . 0 0 "[ . 1 . 2]" 1
1010 1 88 PHE H 1 88 PHE HA 1.800 . 3.000 2.940 2.927 2.951 . 0 0 "[ . 1 . 2]" 1
1011 1 88 PHE H 1 88 PHE HB3 1.800 . 4.000 3.822 3.597 3.921 . 0 0 "[ . 1 . 2]" 1
1012 1 88 PHE H 1 88 PHE HB2 1.800 . 4.000 2.715 2.342 2.905 . 0 0 "[ . 1 . 2]" 1
1013 1 88 PHE H 1 88 PHE QD 1.800 . 4.000 2.879 2.668 3.227 . 0 0 "[ . 1 . 2]" 1
1014 1 88 PHE H 1 88 PHE QE 1.800 . 5.000 4.921 4.775 5.027 0.027 7 0 "[ . 1 . 2]" 1
1015 1 88 PHE QB 1 94 LEU QB 1.800 . 3.000 2.440 2.025 2.925 . 0 0 "[ . 1 . 2]" 1
1016 1 88 PHE QD 1 93 GLU HB3 1.800 . 3.500 2.137 1.932 2.714 . 0 0 "[ . 1 . 2]" 1
1017 1 88 PHE QD 1 93 GLU HB2 1.800 . 3.500 3.379 2.833 3.510 0.010 16 0 "[ . 1 . 2]" 1
1018 1 80 ILE MG 1 89 ASP H 1.800 . 5.000 4.239 3.656 4.658 . 0 0 "[ . 1 . 2]" 1
1019 1 88 PHE HA 1 89 ASP H 1.800 . 3.000 2.314 2.172 2.566 . 0 0 "[ . 1 . 2]" 1
1020 1 88 PHE H 1 89 ASP H 1.800 . 5.000 4.434 4.333 4.533 . 0 0 "[ . 1 . 2]" 1
1021 1 88 PHE QB 1 89 ASP H 1.800 . 3.000 2.622 2.116 2.997 . 0 0 "[ . 1 . 2]" 1
1022 1 88 PHE QD 1 89 ASP H 1.800 . 4.000 3.846 3.133 4.028 0.028 15 0 "[ . 1 . 2]" 1
1023 1 89 ASP H 1 89 ASP HA 1.800 . 3.000 2.858 2.798 2.925 . 0 0 "[ . 1 . 2]" 1
1024 1 89 ASP H 1 89 ASP QB 1.800 . 3.000 2.240 2.075 2.695 . 0 0 "[ . 1 . 2]" 1
1025 1 89 ASP H 1 89 ASP HB3 1.800 . 3.500 3.033 2.549 3.501 0.001 15 0 "[ . 1 . 2]" 1
1026 1 89 ASP H 1 89 ASP HB2 1.800 . 3.500 2.408 2.105 3.573 0.073 7 0 "[ . 1 . 2]" 1
1027 1 89 ASP H 1 90 SER H 1.800 . 3.000 2.594 2.242 2.808 . 0 0 "[ . 1 . 2]" 1
1028 1 89 ASP H 1 93 GLU HB3 1.800 . 5.000 4.095 3.733 4.390 . 0 0 "[ . 1 . 2]" 1
1029 1 89 ASP H 1 93 GLU HB2 1.800 . 5.000 3.788 3.447 4.217 . 0 0 "[ . 1 . 2]" 1
1030 1 89 ASP H 1 93 GLU QG 1.800 . 5.000 4.424 3.499 4.996 . 0 0 "[ . 1 . 2]" 1
1031 1 89 ASP H 1 94 LEU H 1.800 . 6.000 5.597 4.978 5.950 . 0 0 "[ . 1 . 2]" 1
1032 1 80 ILE MG 1 90 SER H 1.800 . 4.000 3.590 3.109 4.010 0.010 20 0 "[ . 1 . 2]" 1
1033 1 88 PHE HA 1 90 SER H 1.800 . 5.000 4.426 4.191 4.764 . 0 0 "[ . 1 . 2]" 1
1034 1 88 PHE QB 1 90 SER H 1.800 . 4.000 3.005 2.688 3.222 . 0 0 "[ . 1 . 2]" 1
1035 1 88 PHE QD 1 90 SER H 1.800 . 5.000 4.710 4.225 4.977 . 0 0 "[ . 1 . 2]" 1
1036 1 89 ASP HA 1 90 SER H 1.800 . 4.000 3.564 3.537 3.581 . 0 0 "[ . 1 . 2]" 1
1037 1 89 ASP QB 1 90 SER H 1.800 . 4.000 2.601 2.274 3.403 . 0 0 "[ . 1 . 2]" 1
1038 1 89 ASP HB3 1 90 SER H 1.800 . 5.000 2.854 2.300 4.049 . 0 0 "[ . 1 . 2]" 1
1039 1 89 ASP HB2 1 90 SER H 1.800 . 5.000 3.309 2.621 3.824 . 0 0 "[ . 1 . 2]" 1
1040 1 90 SER H 1 90 SER HA 1.800 . 3.000 2.945 2.925 2.951 . 0 0 "[ . 1 . 2]" 1
1041 1 90 SER H 1 91 LEU H 1.800 . 5.000 4.480 4.417 4.521 . 0 0 "[ . 1 . 2]" 1
1042 1 90 SER H 1 92 LEU H 1.800 . 5.000 4.975 4.703 5.058 0.058 6 0 "[ . 1 . 2]" 1
1043 1 90 SER H 1 93 GLU H 1.800 . 5.000 3.795 3.387 4.083 . 0 0 "[ . 1 . 2]" 1
1044 1 90 SER H 1 93 GLU QG 1.800 . 5.000 3.637 1.947 4.495 . 0 0 "[ . 1 . 2]" 1
1045 1 90 SER H 1 93 GLU HB3 1.800 . 4.000 3.965 3.780 4.029 0.029 1 0 "[ . 1 . 2]" 1
1046 1 90 SER H 1 93 GLU HB2 1.800 . 4.000 2.634 2.292 3.048 . 0 0 "[ . 1 . 2]" 1
1047 1 90 SER H 1 93 GLU QB 1.800 . 3.000 2.596 2.274 2.957 . 0 0 "[ . 1 . 2]" 1
1048 1 90 SER H 1 94 LEU H 1.800 . 5.000 4.490 4.108 4.789 . 0 0 "[ . 1 . 2]" 1
1049 1 19 TYR QE 1 91 LEU H 1.800 . 5.000 3.493 2.945 3.946 . 0 0 "[ . 1 . 2]" 1
1050 1 80 ILE MG 1 91 LEU H 1.800 . 4.000 3.001 2.625 3.698 . 0 0 "[ . 1 . 2]" 1
1051 1 90 SER HA 1 91 LEU H 1.800 . 3.000 2.343 2.185 2.460 . 0 0 "[ . 1 . 2]" 1
1052 1 90 SER QB 1 91 LEU H 1.800 . 4.000 2.721 2.373 3.351 . 0 0 "[ . 1 . 2]" 1
1053 1 91 LEU H 1 92 LEU H 1.800 . 4.000 2.669 2.576 2.744 . 0 0 "[ . 1 . 2]" 1
1054 1 91 LEU H 1 93 GLU H 1.800 . 5.000 4.355 4.209 4.757 . 0 0 "[ . 1 . 2]" 1
1055 1 91 LEU H 1 91 LEU HA 1.800 . 3.000 2.812 2.783 2.844 . 0 0 "[ . 1 . 2]" 1
1056 1 91 LEU H 1 91 LEU MD1 1.800 . 5.000 3.581 3.164 4.016 . 0 0 "[ . 1 . 2]" 1
1057 1 91 LEU H 1 91 LEU MD2 1.800 . 5.000 4.332 4.119 4.435 . 0 0 "[ . 1 . 2]" 1
1058 1 91 LEU H 1 91 LEU QB 1.800 . 3.000 2.088 2.033 2.180 . 0 0 "[ . 1 . 2]" 1
1059 1 91 LEU H 1 91 LEU HG 1.800 . 4.000 3.578 2.992 4.020 0.020 3 0 "[ . 1 . 2]" 1
1060 1 91 LEU HA 1 91 LEU QD 1.800 . 3.000 2.607 2.299 2.803 . 0 0 "[ . 1 . 2]" 1
1061 1 91 LEU HA 1 91 LEU MD1 1.800 . 4.500 3.664 3.528 3.783 . 0 0 "[ . 1 . 2]" 1
1062 1 91 LEU HA 1 91 LEU MD2 1.800 . 4.500 2.677 2.319 2.941 . 0 0 "[ . 1 . 2]" 1
1063 1 58 PHE HB3 1 91 LEU QD 1.800 . 5.000 2.784 1.980 3.726 . 0 0 "[ . 1 . 2]" 1
1064 1 58 PHE HB2 1 91 LEU QD 1.800 . 5.000 2.799 1.927 3.999 . 0 0 "[ . 1 . 2]" 1
1065 1 58 PHE QE 1 91 LEU QD 1.800 . 4.500 3.012 2.526 3.658 . 0 0 "[ . 1 . 2]" 1
1066 1 19 TYR QE 1 92 LEU H 1.800 . 3.500 2.543 1.981 3.447 . 0 0 "[ . 1 . 2]" 1
1067 1 90 SER HA 1 92 LEU H 1.800 . 5.000 4.160 3.850 4.362 . 0 0 "[ . 1 . 2]" 1
1068 1 92 LEU H 1 92 LEU HA 1.800 . 3.000 2.818 2.786 2.844 . 0 0 "[ . 1 . 2]" 1
1069 1 92 LEU H 1 92 LEU QB 1.800 . 3.000 2.262 2.144 2.633 . 0 0 "[ . 1 . 2]" 1
1070 1 92 LEU H 1 92 LEU QD 1.800 . 4.000 3.221 2.952 3.318 . 0 0 "[ . 1 . 2]" 1
1071 1 91 LEU HA 1 92 LEU H 1.800 . 4.000 3.510 3.491 3.528 . 0 0 "[ . 1 . 2]" 1
1072 1 91 LEU QB 1 92 LEU H 1.800 . 4.000 2.875 2.786 2.961 . 0 0 "[ . 1 . 2]" 1
1073 1 91 LEU MD1 1 92 LEU H 1.800 . 5.000 4.842 4.621 4.972 . 0 0 "[ . 1 . 2]" 1
1074 1 91 LEU MD2 1 92 LEU H 1.800 . 5.000 4.547 4.145 4.863 . 0 0 "[ . 1 . 2]" 1
1075 1 92 LEU H 1 93 GLU H 1.800 . 3.000 2.674 2.550 2.862 . 0 0 "[ . 1 . 2]" 1
1076 1 92 LEU H 1 92 LEU HG 1.800 . 3.000 2.813 1.960 3.037 0.037 7 0 "[ . 1 . 2]" 1
1077 1 92 LEU HB3 1 92 LEU QD 1.800 . 3.000 2.090 1.994 2.182 . 0 0 "[ . 1 . 2]" 1
1078 1 92 LEU HB2 1 92 LEU QD 1.800 . 3.000 2.076 2.008 2.223 . 0 0 "[ . 1 . 2]" 1
1079 1 17 ILE MG 1 92 LEU QD 1.800 . 3.000 2.451 1.807 2.956 . 0 0 "[ . 1 . 2]" 1
1080 1 92 LEU HA 1 92 LEU QD 1.800 . 3.000 2.920 2.170 3.092 0.092 14 0 "[ . 1 . 2]" 1
1081 1 88 PHE QB 1 93 GLU QG 1.800 . 5.000 4.190 3.610 4.765 . 0 0 "[ . 1 . 2]" 1
1082 1 88 PHE HB3 1 93 GLU H 1.800 . 6.000 4.441 4.073 4.753 . 0 0 "[ . 1 . 2]" 1
1083 1 88 PHE HB2 1 93 GLU H 1.800 . 6.000 5.384 4.888 5.871 . 0 0 "[ . 1 . 2]" 1
1084 1 88 PHE QB 1 93 GLU H 1.800 . 5.000 4.238 3.943 4.541 . 0 0 "[ . 1 . 2]" 1
1085 1 90 SER HA 1 93 GLU H 1.800 . 5.000 4.741 4.539 5.000 0.000 20 0 "[ . 1 . 2]" 1
1086 1 91 LEU HA 1 93 GLU H 1.800 . 5.000 4.306 4.085 4.706 . 0 0 "[ . 1 . 2]" 1
1087 1 92 LEU HA 1 93 GLU H 1.800 . 4.000 3.534 3.506 3.567 . 0 0 "[ . 1 . 2]" 1
1088 1 92 LEU QB 1 93 GLU H 1.800 . 4.000 3.160 2.145 3.478 . 0 0 "[ . 1 . 2]" 1
1089 1 92 LEU HG 1 93 GLU H 1.800 . 4.000 2.474 1.988 4.035 0.035 1 0 "[ . 1 . 2]" 1
1090 1 92 LEU QD 1 93 GLU H 1.800 . 4.500 3.161 2.947 3.792 . 0 0 "[ . 1 . 2]" 1
1091 1 93 GLU H 1 93 GLU HA 1.800 . 3.000 2.818 2.753 2.856 . 0 0 "[ . 1 . 2]" 1
1092 1 93 GLU H 1 93 GLU HB3 1.800 . 3.500 3.479 3.292 3.566 0.066 9 0 "[ . 1 . 2]" 1
1093 1 93 GLU H 1 93 GLU HB2 1.800 . 3.500 2.201 2.070 2.633 . 0 0 "[ . 1 . 2]" 1
1094 1 93 GLU H 1 93 GLU QB 1.800 . 3.000 2.178 2.050 2.568 . 0 0 "[ . 1 . 2]" 1
1095 1 93 GLU H 1 93 GLU QG 1.800 . 3.500 2.919 1.970 3.363 . 0 0 "[ . 1 . 2]" 1
1096 1 93 GLU H 1 94 LEU H 1.800 . 3.000 2.675 2.520 2.917 . 0 0 "[ . 1 . 2]" 1
1097 1 93 GLU H 1 95 VAL H 1.800 . 5.000 4.317 4.027 4.652 . 0 0 "[ . 1 . 2]" 1
1098 1 93 GLU HA 1 96 GLU QB 1.800 . 3.500 2.575 2.390 2.920 . 0 0 "[ . 1 . 2]" 1
1099 1 93 GLU HA 1 93 GLU QG 1.800 . 3.000 2.263 2.047 2.706 . 0 0 "[ . 1 . 2]" 1
1100 1 92 LEU QB 1 93 GLU QG 1.800 . 5.000 4.510 3.856 5.026 0.026 6 0 "[ . 1 . 2]" 1
1101 1 89 ASP H 1 93 GLU H 1.800 . 6.000 5.726 5.469 5.938 . 0 0 "[ . 1 . 2]" 1
1102 1 80 ILE MG 1 94 LEU H 1.800 . 5.000 3.939 3.509 4.417 . 0 0 "[ . 1 . 2]" 1
1103 1 88 PHE HB3 1 94 LEU H 1.800 . 5.000 3.279 2.853 3.804 . 0 0 "[ . 1 . 2]" 1
1104 1 88 PHE HB2 1 94 LEU H 1.800 . 5.000 3.612 3.190 4.340 . 0 0 "[ . 1 . 2]" 1
1105 1 88 PHE QD 1 94 LEU H 1.800 . 5.000 3.821 3.352 4.249 . 0 0 "[ . 1 . 2]" 1
1106 1 88 PHE QB 1 94 LEU QD 1.800 . 5.000 2.940 2.146 3.320 . 0 0 "[ . 1 . 2]" 1
1107 1 91 LEU HA 1 94 LEU H 1.800 . 4.000 3.382 3.197 3.563 . 0 0 "[ . 1 . 2]" 1
1108 1 91 LEU HA 1 94 LEU MD1 1.800 . 5.000 3.879 3.323 4.659 . 0 0 "[ . 1 . 2]" 1
1109 1 91 LEU HA 1 94 LEU MD2 1.800 . 5.000 4.114 1.921 4.914 . 0 0 "[ . 1 . 2]" 1
1110 1 91 LEU QD 1 94 LEU H 1.800 . 5.000 4.646 4.107 5.002 0.002 6 0 "[ . 1 . 2]" 1
1111 1 91 LEU QD 1 94 LEU QD 1.800 . 4.000 2.832 2.142 3.393 . 0 0 "[ . 1 . 2]" 1
1112 1 92 LEU H 1 94 LEU H 1.800 . 5.000 4.179 3.997 4.523 . 0 0 "[ . 1 . 2]" 1
1113 1 93 GLU HA 1 94 LEU H 1.800 . 4.000 3.546 3.519 3.587 . 0 0 "[ . 1 . 2]" 1
1114 1 93 GLU HB3 1 94 LEU H 1.800 . 4.000 3.276 2.888 3.735 . 0 0 "[ . 1 . 2]" 1
1115 1 93 GLU HB2 1 94 LEU H 1.800 . 4.000 2.857 2.546 3.195 . 0 0 "[ . 1 . 2]" 1
1116 1 93 GLU QG 1 94 LEU H 1.800 . 5.000 4.357 3.838 4.558 . 0 0 "[ . 1 . 2]" 1
1117 1 94 LEU H 1 94 LEU HA 1.800 . 3.000 2.807 2.789 2.840 . 0 0 "[ . 1 . 2]" 1
1118 1 94 LEU H 1 94 LEU QB 1.800 . 3.000 2.222 2.137 2.364 . 0 0 "[ . 1 . 2]" 1
1119 1 94 LEU H 1 94 LEU HG 1.800 . 5.000 4.304 2.675 4.479 . 0 0 "[ . 1 . 2]" 1
1120 1 94 LEU H 1 94 LEU MD2 1.800 . 5.000 4.138 3.035 4.385 . 0 0 "[ . 1 . 2]" 1
1121 1 94 LEU H 1 94 LEU MD1 1.800 . 5.000 4.165 3.936 4.266 . 0 0 "[ . 1 . 2]" 1
1122 1 94 LEU H 1 94 LEU QD 1.800 . 4.500 3.683 2.950 3.776 . 0 0 "[ . 1 . 2]" 1
1123 1 94 LEU HA 1 94 LEU QD 1.800 . 4.500 2.962 2.390 3.384 . 0 0 "[ . 1 . 2]" 1
1124 1 94 LEU H 1 95 VAL H 1.800 . 3.000 2.767 2.683 2.864 . 0 0 "[ . 1 . 2]" 1
1125 1 94 LEU QD 1 95 VAL HA 1.800 . 4.000 2.944 2.546 3.890 . 0 0 "[ . 1 . 2]" 1
1126 1 94 LEU H 1 95 VAL QG 1.800 . 5.000 4.090 3.969 4.254 . 0 0 "[ . 1 . 2]" 1
1127 1 92 LEU H 1 95 VAL H 1.800 . 5.000 4.922 4.760 5.003 0.003 19 0 "[ . 1 . 2]" 1
1128 1 92 LEU HA 1 95 VAL H 1.800 . 4.000 3.628 3.364 3.845 . 0 0 "[ . 1 . 2]" 1
1129 1 93 GLU HA 1 95 VAL H 1.800 . 5.000 4.609 4.309 4.867 . 0 0 "[ . 1 . 2]" 1
1130 1 94 LEU HA 1 95 VAL H 1.800 . 4.000 3.562 3.529 3.576 . 0 0 "[ . 1 . 2]" 1
1131 1 94 LEU QB 1 95 VAL H 1.800 . 4.000 2.467 2.247 3.494 . 0 0 "[ . 1 . 2]" 1
1132 1 94 LEU MD1 1 95 VAL H 1.800 . 5.000 4.543 2.903 4.893 . 0 0 "[ . 1 . 2]" 1
1133 1 94 LEU MD2 1 95 VAL H 1.800 . 5.000 3.204 2.622 3.783 . 0 0 "[ . 1 . 2]" 1
1134 1 95 VAL H 1 95 VAL HB 1.800 . 3.000 2.644 2.563 2.688 . 0 0 "[ . 1 . 2]" 1
1135 1 95 VAL H 1 95 VAL QG 1.800 . 3.000 2.082 1.954 2.220 . 0 0 "[ . 1 . 2]" 1
1136 1 95 VAL H 1 95 VAL MG1 1.800 . 4.500 3.781 3.767 3.792 . 0 0 "[ . 1 . 2]" 1
1137 1 95 VAL H 1 95 VAL MG2 1.800 . 4.500 2.092 1.960 2.235 . 0 0 "[ . 1 . 2]" 1
1138 1 95 VAL H 1 96 GLU H 1.800 . 3.000 2.695 2.564 2.850 . 0 0 "[ . 1 . 2]" 1
1139 1 95 VAL H 1 97 TYR H 1.800 . 5.000 4.156 3.937 4.442 . 0 0 "[ . 1 . 2]" 1
1140 1 95 VAL HA 1 114 LEU QD 1.800 . 4.000 3.162 2.532 3.745 . 0 0 "[ . 1 . 2]" 1
1141 1 91 LEU HA 1 95 VAL QG 1.800 . 5.000 3.976 3.601 4.286 . 0 0 "[ . 1 . 2]" 1
1142 1 91 LEU QD 1 95 VAL QG 1.800 . 4.500 2.622 1.919 3.533 . 0 0 "[ . 1 . 2]" 1
1143 1 92 LEU HA 1 95 VAL QG 1.800 . 4.000 2.979 2.270 3.683 . 0 0 "[ . 1 . 2]" 1
1144 1 48 ILE MD 1 95 VAL QG 1.800 . 4.000 2.526 1.911 2.988 . 0 0 "[ . 1 . 2]" 1
1145 1 94 LEU QD 1 95 VAL QG 1.800 . 4.000 2.648 2.125 3.353 . 0 0 "[ . 1 . 2]" 1
1146 1 95 VAL HA 1 95 VAL MG1 1.800 . 3.000 2.361 2.222 2.423 . 0 0 "[ . 1 . 2]" 1
1147 1 95 VAL HA 1 95 VAL MG2 1.800 . 3.000 2.433 2.375 2.507 . 0 0 "[ . 1 . 2]" 1
1148 1 95 VAL QG 1 99 GLN QG 1.800 . 4.500 2.704 1.970 3.947 . 0 0 "[ . 1 . 2]" 1
1149 1 95 VAL QG 1 99 GLN HA 1.800 . 5.000 4.304 3.930 4.793 . 0 0 "[ . 1 . 2]" 1
1150 1 92 LEU QD 1 96 GLU QG 1.800 . 4.000 2.613 2.140 3.431 . 0 0 "[ . 1 . 2]" 1
1151 1 93 GLU HA 1 96 GLU H 1.800 . 4.000 3.579 3.359 3.768 . 0 0 "[ . 1 . 2]" 1
1152 1 94 LEU H 1 96 GLU H 1.800 . 5.000 4.168 3.902 4.364 . 0 0 "[ . 1 . 2]" 1
1153 1 95 VAL HA 1 96 GLU H 1.800 . 4.000 3.552 3.524 3.572 . 0 0 "[ . 1 . 2]" 1
1154 1 95 VAL HB 1 96 GLU H 1.800 . 3.500 2.608 2.442 2.798 . 0 0 "[ . 1 . 2]" 1
1155 1 95 VAL MG2 1 96 GLU H 1.800 . 5.000 3.764 3.669 3.849 . 0 0 "[ . 1 . 2]" 1
1156 1 95 VAL MG1 1 96 GLU H 1.800 . 5.000 3.594 3.472 3.721 . 0 0 "[ . 1 . 2]" 1
1157 1 95 VAL QG 1 96 GLU H 1.800 . 4.500 3.270 3.187 3.346 . 0 0 "[ . 1 . 2]" 1
1158 1 96 GLU H 1 96 GLU HA 1.800 . 3.000 2.805 2.772 2.838 . 0 0 "[ . 1 . 2]" 1
1159 1 96 GLU H 1 96 GLU HB3 1.800 . 3.500 3.522 3.490 3.559 0.059 20 0 "[ . 1 . 2]" 1
1160 1 96 GLU H 1 96 GLU HB2 1.800 . 3.500 2.248 2.183 2.391 . 0 0 "[ . 1 . 2]" 1
1161 1 96 GLU H 1 96 GLU QB 1.800 . 3.000 2.223 2.162 2.356 . 0 0 "[ . 1 . 2]" 1
1162 1 96 GLU H 1 96 GLU HG3 1.800 . 3.500 3.115 2.767 3.481 . 0 0 "[ . 1 . 2]" 1
1163 1 96 GLU H 1 96 GLU HG2 1.800 . 3.500 3.214 2.876 3.501 0.001 7 0 "[ . 1 . 2]" 1
1164 1 96 GLU H 1 96 GLU QG 1.800 . 3.000 2.796 2.510 2.954 . 0 0 "[ . 1 . 2]" 1
1165 1 96 GLU H 1 97 TYR H 1.800 . 3.000 2.715 2.595 2.826 . 0 0 "[ . 1 . 2]" 1
1166 1 92 LEU QD 1 96 GLU H 1.800 . 5.000 4.136 3.638 4.994 . 0 0 "[ . 1 . 2]" 1
1167 1 96 GLU HA 1 99 GLN QB 1.800 . 4.000 2.610 2.161 3.353 . 0 0 "[ . 1 . 2]" 1
1168 1 96 GLU HA 1 96 GLU HG3 1.800 . 3.500 3.414 3.197 3.520 0.020 15 0 "[ . 1 . 2]" 1
1169 1 96 GLU HA 1 96 GLU HG2 1.800 . 3.500 2.198 2.124 2.309 . 0 0 "[ . 1 . 2]" 1
1170 1 95 VAL QG 1 96 GLU HA 1.800 . 5.000 3.624 3.537 3.742 . 0 0 "[ . 1 . 2]" 1
1171 1 92 LEU HG 1 96 GLU QG 1.800 . 5.000 4.848 4.480 5.062 0.062 15 0 "[ . 1 . 2]" 1
1172 1 93 GLU HA 1 97 TYR H 1.800 . 5.000 4.148 3.413 4.562 . 0 0 "[ . 1 . 2]" 1
1173 1 96 GLU HA 1 97 TYR H 1.800 . 4.000 3.532 3.481 3.572 . 0 0 "[ . 1 . 2]" 1
1174 1 96 GLU QB 1 97 TYR H 1.800 . 3.500 2.774 2.544 3.024 . 0 0 "[ . 1 . 2]" 1
1175 1 96 GLU HB3 1 97 TYR H 1.800 . 4.500 3.487 3.146 3.845 . 0 0 "[ . 1 . 2]" 1
1176 1 96 GLU HB2 1 97 TYR H 1.800 . 4.500 2.917 2.676 3.217 . 0 0 "[ . 1 . 2]" 1
1177 1 97 TYR H 1 97 TYR HA 1.800 . 3.000 2.837 2.816 2.869 . 0 0 "[ . 1 . 2]" 1
1178 1 97 TYR H 1 97 TYR HB3 1.800 . 3.000 2.746 2.530 2.988 . 0 0 "[ . 1 . 2]" 1
1179 1 97 TYR H 1 97 TYR HB2 1.800 . 3.000 2.370 2.211 2.560 . 0 0 "[ . 1 . 2]" 1
1180 1 97 TYR H 1 98 TYR H 1.800 . 3.000 2.695 2.633 2.752 . 0 0 "[ . 1 . 2]" 1
1181 1 96 GLU QG 1 97 TYR H 1.800 . 5.000 4.363 4.183 4.522 . 0 0 "[ . 1 . 2]" 1
1182 1 97 TYR HA 1 97 TYR QD 1.800 . 3.500 2.963 2.575 3.180 . 0 0 "[ . 1 . 2]" 1
1183 1 97 TYR QD 1 98 TYR HA 1.800 . 4.000 3.467 2.848 3.969 . 0 0 "[ . 1 . 2]" 1
1184 1 94 LEU HA 1 98 TYR H 1.800 . 5.000 4.357 4.007 4.833 . 0 0 "[ . 1 . 2]" 1
1185 1 95 VAL HA 1 98 TYR H 1.800 . 4.000 3.600 3.366 3.826 . 0 0 "[ . 1 . 2]" 1
1186 1 96 GLU HA 1 98 TYR H 1.800 . 5.000 4.694 4.416 4.859 . 0 0 "[ . 1 . 2]" 1
1187 1 97 TYR HA 1 98 TYR H 1.800 . 4.000 3.569 3.541 3.585 . 0 0 "[ . 1 . 2]" 1
1188 1 97 TYR QB 1 98 TYR H 1.800 . 3.000 2.420 2.369 2.590 . 0 0 "[ . 1 . 2]" 1
1189 1 98 TYR H 1 98 TYR HB3 1.800 . 4.000 3.197 2.343 3.609 . 0 0 "[ . 1 . 2]" 1
1190 1 98 TYR H 1 98 TYR HB2 1.800 . 4.000 2.681 2.207 3.609 . 0 0 "[ . 1 . 2]" 1
1191 1 98 TYR H 1 98 TYR QB 1.800 . 3.000 2.283 2.185 2.409 . 0 0 "[ . 1 . 2]" 1
1192 1 98 TYR H 1 98 TYR QD 1.800 . 3.000 2.591 2.096 3.042 0.042 13 0 "[ . 1 . 2]" 1
1193 1 98 TYR HA 1 101 HIS QB 1.800 . 3.000 2.712 2.244 3.054 0.054 3 0 "[ . 1 . 2]" 1
1194 1 98 TYR H 1 114 LEU QD 1.800 . 5.000 4.283 3.444 4.999 . 0 0 "[ . 1 . 2]" 1
1195 1 96 GLU HA 1 99 GLN H 1.800 . 4.000 3.489 3.300 3.727 . 0 0 "[ . 1 . 2]" 1
1196 1 97 TYR HA 1 99 GLN H 1.800 . 5.000 4.111 3.970 4.267 . 0 0 "[ . 1 . 2]" 1
1197 1 98 TYR HA 1 99 GLN H 1.800 . 4.000 3.431 3.301 3.488 . 0 0 "[ . 1 . 2]" 1
1198 1 98 TYR QB 1 99 GLN H 1.800 . 5.000 3.290 2.936 3.918 . 0 0 "[ . 1 . 2]" 1
1199 1 99 GLN H 1 99 GLN QB 1.800 . 3.000 2.281 2.071 2.590 . 0 0 "[ . 1 . 2]" 1
1200 1 99 GLN H 1 99 GLN HG3 1.800 . 4.000 3.003 2.706 3.494 . 0 0 "[ . 1 . 2]" 1
1201 1 99 GLN H 1 99 GLN HG2 1.800 . 4.000 3.405 2.315 4.031 0.031 16 0 "[ . 1 . 2]" 1
1202 1 99 GLN H 1 100 CYS H 1.800 . 3.000 2.671 2.393 2.769 . 0 0 "[ . 1 . 2]" 1
1203 1 99 GLN H 1 101 HIS H 1.800 . 5.000 3.966 3.778 4.167 . 0 0 "[ . 1 . 2]" 1
1204 1 99 GLN H 1 114 LEU QD 1.800 . 5.000 3.223 2.662 3.906 . 0 0 "[ . 1 . 2]" 1
1205 1 95 VAL QG 1 99 GLN HE21 1.800 . 5.000 3.025 2.386 3.732 . 0 0 "[ . 1 . 2]" 1
1206 1 95 VAL QG 1 99 GLN HE22 1.800 . 5.000 4.147 3.469 4.973 . 0 0 "[ . 1 . 2]" 1
1207 1 95 VAL QG 1 99 GLN QE 1.800 . 4.000 2.943 2.347 3.548 . 0 0 "[ . 1 . 2]" 1
1208 1 96 GLU HA 1 99 GLN HE21 1.800 . 5.000 3.764 2.200 5.009 0.009 2 0 "[ . 1 . 2]" 1
1209 1 96 GLU HA 1 99 GLN HE22 1.800 . 5.000 4.367 2.995 4.988 . 0 0 "[ . 1 . 2]" 1
1210 1 24 TRP HE1 1 99 GLN HE21 1.800 . 5.000 4.415 3.596 4.954 . 0 0 "[ . 1 . 2]" 1
1211 1 24 TRP HE1 1 99 GLN HE22 1.800 . 5.000 4.236 3.272 4.988 . 0 0 "[ . 1 . 2]" 1
1212 1 96 GLU HA 1 100 CYS H 1.800 . 5.000 4.946 4.803 5.040 0.040 7 0 "[ . 1 . 2]" 1
1213 1 97 TYR HA 1 100 CYS H 1.800 . 5.000 4.137 3.761 4.558 . 0 0 "[ . 1 . 2]" 1
1214 1 98 TYR HA 1 100 CYS H 1.800 . 4.000 3.874 3.764 4.007 0.007 16 0 "[ . 1 . 2]" 1
1215 1 99 GLN HA 1 100 CYS H 1.800 . 4.000 3.516 3.482 3.545 . 0 0 "[ . 1 . 2]" 1
1216 1 99 GLN HB3 1 100 CYS H 1.800 . 4.500 3.544 3.034 4.083 . 0 0 "[ . 1 . 2]" 1
1217 1 99 GLN HB2 1 100 CYS H 1.800 . 4.500 3.226 2.847 4.037 . 0 0 "[ . 1 . 2]" 1
1218 1 100 CYS H 1 100 CYS HA 1.800 . 3.000 2.934 2.902 2.948 . 0 0 "[ . 1 . 2]" 1
1219 1 100 CYS H 1 100 CYS QB 1.800 . 3.000 2.437 2.163 2.970 . 0 0 "[ . 1 . 2]" 1
1220 1 100 CYS H 1 101 HIS H 1.800 . 3.000 2.301 2.093 2.532 . 0 0 "[ . 1 . 2]" 1
1221 1 100 CYS H 1 113 THR MG 1.800 . 5.000 4.670 4.193 5.016 0.016 7 0 "[ . 1 . 2]" 1
1222 1 100 CYS HA 1 113 THR MG 1.800 . 4.000 3.749 3.280 3.989 . 0 0 "[ . 1 . 2]" 1
1223 1 99 GLN QG 1 100 CYS H 1.800 . 5.000 3.856 2.075 4.485 . 0 0 "[ . 1 . 2]" 1
1224 1 98 TYR HA 1 101 HIS H 1.800 . 3.000 2.990 2.869 3.034 0.034 11 0 "[ . 1 . 2]" 1
1225 1 98 TYR QB 1 101 HIS H 1.800 . 5.000 4.523 4.200 4.784 . 0 0 "[ . 1 . 2]" 1
1226 1 100 CYS HA 1 101 HIS H 1.800 . 4.000 3.342 2.941 3.548 . 0 0 "[ . 1 . 2]" 1
1227 1 100 CYS QB 1 101 HIS H 1.800 . 4.000 3.247 2.731 4.037 0.037 20 0 "[ . 1 . 2]" 1
1228 1 101 HIS H 1 101 HIS HB3 1.800 . 4.000 3.358 2.810 3.732 . 0 0 "[ . 1 . 2]" 1
1229 1 101 HIS H 1 101 HIS HB2 1.800 . 4.000 2.547 2.174 3.102 . 0 0 "[ . 1 . 2]" 1
1230 1 101 HIS H 1 102 SER H 1.800 . 5.000 4.327 2.409 4.609 . 0 0 "[ . 1 . 2]" 1
1231 1 101 HIS H 1 113 THR MG 1.800 . 4.500 3.468 2.596 4.086 . 0 0 "[ . 1 . 2]" 1
1232 1 101 HIS HA 1 113 THR MG 1.800 . 4.000 3.405 2.594 3.997 . 0 0 "[ . 1 . 2]" 1
1233 1 101 HIS HA 1 101 HIS HD2 1.800 . 3.000 2.603 2.070 3.039 0.039 19 0 "[ . 1 . 2]" 1
1234 1 101 HIS HA 1 102 SER H 1.800 . 3.000 2.270 2.152 3.035 0.035 18 0 "[ . 1 . 2]" 1
1235 1 101 HIS HB3 1 102 SER H 1.800 . 4.500 3.390 2.113 4.263 . 0 0 "[ . 1 . 2]" 1
1236 1 101 HIS HB2 1 102 SER H 1.800 . 4.500 4.217 3.069 4.514 0.014 8 0 "[ . 1 . 2]" 1
1237 1 101 HIS QB 1 102 SER H 1.800 . 4.000 3.235 2.078 3.723 . 0 0 "[ . 1 . 2]" 1
1238 1 102 SER H 1 102 SER HA 1.800 . 3.000 2.792 2.270 2.933 . 0 0 "[ . 1 . 2]" 1
1239 1 102 SER H 1 102 SER HB3 1.800 . 3.500 3.204 2.491 3.543 0.043 19 0 "[ . 1 . 2]" 1
1240 1 102 SER H 1 102 SER HB2 1.800 . 3.500 2.619 2.100 3.526 0.026 14 0 "[ . 1 . 2]" 1
1241 1 102 SER H 1 102 SER QB 1.800 . 3.000 2.429 2.073 2.990 . 0 0 "[ . 1 . 2]" 1
1242 1 102 SER H 1 103 LEU H 1.800 . 5.000 4.629 4.454 4.657 . 0 0 "[ . 1 . 2]" 1
1243 1 102 SER H 1 113 THR MG 1.800 . 4.000 3.102 2.076 3.659 . 0 0 "[ . 1 . 2]" 1
1244 1 102 SER HB3 1 113 THR MG 1.800 . 5.000 3.732 2.899 4.372 . 0 0 "[ . 1 . 2]" 1
1245 1 102 SER HB2 1 113 THR MG 1.800 . 5.000 3.622 2.149 4.317 . 0 0 "[ . 1 . 2]" 1
1246 1 102 SER HA 1 113 THR HA 1.800 . 4.000 3.606 2.771 4.032 0.032 19 0 "[ . 1 . 2]" 1
1247 1 102 SER HA 1 113 THR MG 1.800 . 3.000 1.933 1.821 2.168 . 0 0 "[ . 1 . 2]" 1
1248 1 102 SER HA 1 103 LEU H 1.800 . 3.000 2.338 2.245 2.436 . 0 0 "[ . 1 . 2]" 1
1249 1 102 SER HB3 1 103 LEU H 1.800 . 5.000 3.165 2.579 3.757 . 0 0 "[ . 1 . 2]" 1
1250 1 102 SER HB2 1 103 LEU H 1.800 . 5.000 3.698 2.534 4.259 . 0 0 "[ . 1 . 2]" 1
1251 1 103 LEU H 1 103 LEU MD2 1.800 . 5.000 3.765 2.445 4.434 . 0 0 "[ . 1 . 2]" 1
1252 1 103 LEU H 1 103 LEU MD1 1.800 . 5.000 3.449 2.011 4.145 . 0 0 "[ . 1 . 2]" 1
1253 1 103 LEU H 1 103 LEU QB 1.800 . 3.500 2.406 2.111 2.893 . 0 0 "[ . 1 . 2]" 1
1254 1 103 LEU H 1 103 LEU QD 1.800 . 4.000 3.010 2.005 3.749 . 0 0 "[ . 1 . 2]" 1
1255 1 103 LEU H 1 104 LYS H 1.800 . 4.000 2.702 2.406 2.888 . 0 0 "[ . 1 . 2]" 1
1256 1 103 LEU H 1 112 THR H 1.800 . 4.000 2.767 2.235 3.629 . 0 0 "[ . 1 . 2]" 1
1257 1 103 LEU H 1 113 THR MG 1.800 . 5.000 3.562 3.109 4.178 . 0 0 "[ . 1 . 2]" 1
1258 1 103 LEU H 1 113 THR HA 1.800 . 5.000 4.275 3.876 4.656 . 0 0 "[ . 1 . 2]" 1
1259 1 103 LEU HA 1 103 LEU MD1 1.800 . 4.000 3.553 2.157 3.946 . 0 0 "[ . 1 . 2]" 1
1260 1 103 LEU HA 1 103 LEU MD2 1.800 . 4.000 3.105 2.238 4.006 0.006 14 0 "[ . 1 . 2]" 1
1261 1 98 TYR QD 1 103 LEU HA 1.800 . 4.000 3.144 2.241 3.973 . 0 0 "[ . 1 . 2]" 1
1262 1 98 TYR QD 1 103 LEU H 1.800 . 5.000 4.423 3.652 4.988 . 0 0 "[ . 1 . 2]" 1
1263 1 102 SER HA 1 104 LYS H 1.800 . 4.000 3.969 3.834 4.020 0.020 18 0 "[ . 1 . 2]" 1
1264 1 103 LEU HA 1 104 LYS H 1.800 . 4.000 3.132 2.959 3.369 . 0 0 "[ . 1 . 2]" 1
1265 1 104 LYS H 1 104 LYS QB 1.800 . 3.000 2.608 2.457 2.686 . 0 0 "[ . 1 . 2]" 1
1266 1 104 LYS H 1 104 LYS HB3 1.800 . 4.000 2.677 2.501 2.775 . 0 0 "[ . 1 . 2]" 1
1267 1 104 LYS H 1 104 LYS HB2 1.800 . 4.000 3.602 3.587 3.619 . 0 0 "[ . 1 . 2]" 1
1268 1 104 LYS H 1 104 LYS QE 1.800 . 5.000 4.377 3.545 4.949 . 0 0 "[ . 1 . 2]" 1
1269 1 104 LYS H 1 112 THR H 1.800 . 5.000 4.470 3.716 4.958 . 0 0 "[ . 1 . 2]" 1
1270 1 104 LYS H 1 105 GLU H 1.800 . 3.000 2.640 2.509 2.759 . 0 0 "[ . 1 . 2]" 1
1271 1 104 LYS H 1 111 ASP HA 1.800 . 4.000 3.186 2.960 3.457 . 0 0 "[ . 1 . 2]" 1
1272 1 104 LYS H 1 104 LYS QG 1.800 . 4.000 2.140 2.017 2.326 . 0 0 "[ . 1 . 2]" 1
1273 1 102 SER QB 1 104 LYS QG 1.800 . 5.000 2.184 1.939 2.644 . 0 0 "[ . 1 . 2]" 1
1274 1 104 LYS HA 1 104 LYS QG 1.800 . 4.000 3.356 3.334 3.406 . 0 0 "[ . 1 . 2]" 1
1275 1 103 LEU QD 1 105 GLU H 1.800 . 6.000 4.927 4.284 5.355 . 0 0 "[ . 1 . 2]" 1
1276 1 104 LYS HA 1 105 GLU H 1.800 . 4.000 3.472 3.306 3.521 . 0 0 "[ . 1 . 2]" 1
1277 1 104 LYS HB2 1 105 GLU H 1.800 . 4.500 3.928 3.731 4.301 . 0 0 "[ . 1 . 2]" 1
1278 1 104 LYS HB3 1 105 GLU H 1.800 . 4.500 4.185 4.003 4.470 . 0 0 "[ . 1 . 2]" 1
1279 1 105 GLU H 1 105 GLU HA 1.800 . 3.000 2.776 2.752 2.800 . 0 0 "[ . 1 . 2]" 1
1280 1 105 GLU H 1 105 GLU HG3 1.800 . 3.500 2.473 1.994 3.256 . 0 0 "[ . 1 . 2]" 1
1281 1 105 GLU H 1 105 GLU HG2 1.800 . 3.500 3.067 2.688 3.268 . 0 0 "[ . 1 . 2]" 1
1282 1 105 GLU H 1 105 GLU QB 1.800 . 3.000 2.448 2.199 2.670 . 0 0 "[ . 1 . 2]" 1
1283 1 105 GLU H 1 106 SER H 1.800 . 3.000 2.772 2.709 2.833 . 0 0 "[ . 1 . 2]" 1
1284 1 104 LYS QG 1 105 GLU H 1.800 . 4.000 2.287 2.066 2.917 . 0 0 "[ . 1 . 2]" 1
1285 1 105 GLU HA 1 105 GLU HG3 1.800 . 3.500 3.336 3.099 3.504 0.004 3 0 "[ . 1 . 2]" 1
1286 1 105 GLU HA 1 105 GLU HG2 1.800 . 3.500 2.396 2.127 2.636 . 0 0 "[ . 1 . 2]" 1
1287 1 105 GLU H 1 106 SER QB 1.800 . 5.000 4.823 4.684 5.025 0.025 6 0 "[ . 1 . 2]" 1
1288 1 103 LEU QD 1 106 SER H 1.800 . 6.000 4.213 3.729 5.117 . 0 0 "[ . 1 . 2]" 1
1289 1 104 LYS QB 1 106 SER H 1.800 . 6.000 5.058 4.950 5.185 . 0 0 "[ . 1 . 2]" 1
1290 1 105 GLU HA 1 106 SER H 1.800 . 3.500 3.525 3.511 3.535 0.035 19 0 "[ . 1 . 2]" 1
1291 1 105 GLU QB 1 106 SER H 1.800 . 4.000 2.632 2.496 2.715 . 0 0 "[ . 1 . 2]" 1
1292 1 105 GLU HG3 1 106 SER H 1.800 . 5.000 4.432 4.022 4.907 . 0 0 "[ . 1 . 2]" 1
1293 1 105 GLU HG2 1 106 SER H 1.800 . 5.000 4.857 4.740 4.983 . 0 0 "[ . 1 . 2]" 1
1294 1 106 SER H 1 106 SER HA 1.800 . 3.000 2.932 2.914 2.944 . 0 0 "[ . 1 . 2]" 1
1295 1 106 SER H 1 106 SER QB 1.800 . 3.000 2.437 2.280 2.595 . 0 0 "[ . 1 . 2]" 1
1296 1 106 SER H 1 107 PHE HA 1.800 . 5.000 4.850 4.777 4.968 . 0 0 "[ . 1 . 2]" 1
1297 1 106 SER H 1 107 PHE QB 1.800 . 5.000 4.343 4.147 4.499 . 0 0 "[ . 1 . 2]" 1
1298 1 106 SER H 1 107 PHE H 1.800 . 3.000 2.169 2.057 2.311 . 0 0 "[ . 1 . 2]" 1
1299 1 105 GLU QB 1 106 SER HA 1.800 . 5.000 4.031 3.943 4.100 . 0 0 "[ . 1 . 2]" 1
1300 1 104 LYS HA 1 107 PHE H 1.800 . 4.000 3.235 3.041 3.436 . 0 0 "[ . 1 . 2]" 1
1301 1 104 LYS QB 1 107 PHE H 1.800 . 5.000 4.840 4.663 4.995 . 0 0 "[ . 1 . 2]" 1
1302 1 105 GLU HA 1 107 PHE H 1.800 . 5.000 4.966 4.787 5.026 0.026 19 0 "[ . 1 . 2]" 1
1303 1 106 SER HA 1 107 PHE H 1.800 . 4.000 3.539 3.528 3.551 . 0 0 "[ . 1 . 2]" 1
1304 1 106 SER QB 1 107 PHE H 1.800 . 3.000 2.635 2.549 2.700 . 0 0 "[ . 1 . 2]" 1
1305 1 107 PHE H 1 107 PHE HB3 1.800 . 4.000 3.668 3.571 3.779 . 0 0 "[ . 1 . 2]" 1
1306 1 107 PHE H 1 107 PHE HB2 1.800 . 4.000 2.486 2.358 2.637 . 0 0 "[ . 1 . 2]" 1
1307 1 107 PHE H 1 108 LYS H 1.800 . 5.000 3.954 3.813 4.089 . 0 0 "[ . 1 . 2]" 1
1308 1 107 PHE H 1 107 PHE QD 1.800 . 3.500 2.877 2.431 3.441 . 0 0 "[ . 1 . 2]" 1
1309 1 107 PHE HA 1 107 PHE QD 1.800 . 3.000 2.990 2.848 3.033 0.033 4 0 "[ . 1 . 2]" 1
1310 1 71 ILE MG 1 107 PHE QD 1.800 . 5.000 4.547 4.067 4.938 . 0 0 "[ . 1 . 2]" 1
1311 1 71 ILE MG 1 107 PHE QE 1.800 . 5.000 3.174 2.608 3.799 . 0 0 "[ . 1 . 2]" 1
1312 1 71 ILE MD 1 107 PHE QD 1.800 . 5.000 4.325 3.275 4.835 . 0 0 "[ . 1 . 2]" 1
1313 1 71 ILE MD 1 107 PHE QE 1.800 . 5.000 3.923 2.055 4.984 . 0 0 "[ . 1 . 2]" 1
1314 1 82 ILE MD 1 107 PHE QD 1.800 . 5.000 3.795 3.188 4.592 . 0 0 "[ . 1 . 2]" 1
1315 1 82 ILE MD 1 107 PHE QE 1.800 . 5.000 3.219 2.411 4.254 . 0 0 "[ . 1 . 2]" 1
1316 1 83 THR MG 1 107 PHE QD 1.800 . 5.000 4.794 4.470 4.981 . 0 0 "[ . 1 . 2]" 1
1317 1 83 THR MG 1 107 PHE QE 1.800 . 5.000 4.680 3.939 5.007 0.007 7 0 "[ . 1 . 2]" 1
1318 1 103 LEU QD 1 107 PHE QD 1.800 . 5.000 3.292 2.381 4.318 . 0 0 "[ . 1 . 2]" 1
1319 1 103 LEU QD 1 107 PHE QE 1.800 . 5.000 4.290 3.266 4.849 . 0 0 "[ . 1 . 2]" 1
1320 1 106 SER QB 1 107 PHE QD 1.800 . 4.000 2.296 1.991 2.661 . 0 0 "[ . 1 . 2]" 1
1321 1 106 SER QB 1 107 PHE QE 1.800 . 5.000 3.420 3.087 4.084 . 0 0 "[ . 1 . 2]" 1
1322 1 103 LEU QD 1 107 PHE H 1.800 . 6.000 3.807 2.846 4.842 . 0 0 "[ . 1 . 2]" 1
1323 1 107 PHE H 1 110 LEU QB 1.800 . 5.000 4.205 3.846 4.600 . 0 0 "[ . 1 . 2]" 1
1324 1 107 PHE HA 1 108 LYS H 1.800 . 3.000 2.230 2.192 2.280 . 0 0 "[ . 1 . 2]" 1
1325 1 107 PHE QB 1 108 LYS H 1.800 . 4.500 3.722 3.629 3.801 . 0 0 "[ . 1 . 2]" 1
1326 1 108 LYS H 1 108 LYS HA 1.800 . 3.000 2.782 2.769 2.791 . 0 0 "[ . 1 . 2]" 1
1327 1 108 LYS H 1 108 LYS QB 1.800 . 3.000 2.484 2.220 2.674 . 0 0 "[ . 1 . 2]" 1
1328 1 108 LYS H 1 109 GLN H 1.800 . 3.000 2.753 2.715 2.811 . 0 0 "[ . 1 . 2]" 1
1329 1 104 LYS HA 1 108 LYS HA 1.800 . 4.000 2.952 2.383 3.570 . 0 0 "[ . 1 . 2]" 1
1330 1 108 LYS HA 1 108 LYS QG 1.800 . 3.500 2.811 2.339 3.429 . 0 0 "[ . 1 . 2]" 1
1331 1 108 LYS H 1 108 LYS QG 1.800 . 4.000 2.635 1.968 4.016 0.016 2 0 "[ . 1 . 2]" 1
1332 1 104 LYS HA 1 109 GLN H 1.800 . 5.000 4.980 4.835 5.050 0.050 16 0 "[ . 1 . 2]" 1
1333 1 107 PHE HA 1 109 GLN H 1.800 . 5.000 3.543 3.410 3.678 . 0 0 "[ . 1 . 2]" 1
1334 1 108 LYS HA 1 109 GLN H 1.800 . 3.500 3.507 3.484 3.533 0.033 10 0 "[ . 1 . 2]" 1
1335 1 108 LYS QB 1 109 GLN H 1.800 . 3.500 3.004 2.534 3.526 0.026 8 0 "[ . 1 . 2]" 1
1336 1 108 LYS QG 1 109 GLN H 1.800 . 4.000 3.346 2.172 4.045 0.045 11 0 "[ . 1 . 2]" 1
1337 1 109 GLN H 1 109 GLN HA 1.800 . 3.000 2.883 2.828 2.919 . 0 0 "[ . 1 . 2]" 1
1338 1 109 GLN H 1 109 GLN HB3 1.800 . 3.500 3.233 2.760 3.531 0.031 8 0 "[ . 1 . 2]" 1
1339 1 109 GLN H 1 109 GLN HB2 1.800 . 3.500 2.740 2.076 3.567 0.067 16 0 "[ . 1 . 2]" 1
1340 1 109 GLN H 1 109 GLN QG 1.800 . 3.500 2.748 1.916 3.485 . 0 0 "[ . 1 . 2]" 1
1341 1 109 GLN H 1 110 LEU H 1.800 . 3.000 2.558 2.304 2.824 . 0 0 "[ . 1 . 2]" 1
1342 1 109 GLN HA 1 109 GLN QG 1.800 . 3.500 2.688 2.039 3.404 . 0 0 "[ . 1 . 2]" 1
1343 1 104 LYS HA 1 110 LEU H 1.800 . 4.500 3.882 3.396 4.370 . 0 0 "[ . 1 . 2]" 1
1344 1 104 LYS QB 1 110 LEU H 1.800 . 5.000 4.786 4.290 5.039 0.039 13 0 "[ . 1 . 2]" 1
1345 1 107 PHE HA 1 110 LEU H 1.800 . 5.000 4.120 3.747 4.627 . 0 0 "[ . 1 . 2]" 1
1346 1 107 PHE HB3 1 110 LEU H 1.800 . 4.500 2.518 1.980 3.221 . 0 0 "[ . 1 . 2]" 1
1347 1 107 PHE HB2 1 110 LEU H 1.800 . 4.500 3.497 2.957 3.977 . 0 0 "[ . 1 . 2]" 1
1348 1 107 PHE QD 1 110 LEU H 1.800 . 5.000 4.261 3.451 5.001 0.001 3 0 "[ . 1 . 2]" 1
1349 1 108 LYS H 1 110 LEU H 1.800 . 5.000 4.159 4.054 4.344 . 0 0 "[ . 1 . 2]" 1
1350 1 109 GLN HA 1 110 LEU H 1.800 . 4.000 3.354 3.010 3.512 . 0 0 "[ . 1 . 2]" 1
1351 1 109 GLN HB3 1 110 LEU H 1.800 . 5.000 3.986 3.265 4.657 . 0 0 "[ . 1 . 2]" 1
1352 1 109 GLN HB2 1 110 LEU H 1.800 . 5.000 3.671 3.037 4.351 . 0 0 "[ . 1 . 2]" 1
1353 1 109 GLN QG 1 110 LEU H 1.800 . 5.000 3.862 2.184 4.818 . 0 0 "[ . 1 . 2]" 1
1354 1 110 LEU H 1 110 LEU HB3 1.800 . 3.000 2.861 2.628 3.011 0.011 15 0 "[ . 1 . 2]" 1
1355 1 110 LEU H 1 110 LEU HB2 1.800 . 3.000 2.703 2.313 3.022 0.022 17 0 "[ . 1 . 2]" 1
1356 1 110 LEU H 1 110 LEU MD1 1.800 . 5.000 4.094 3.625 4.577 . 0 0 "[ . 1 . 2]" 1
1357 1 110 LEU H 1 110 LEU MD2 1.800 . 5.000 4.459 4.298 4.674 . 0 0 "[ . 1 . 2]" 1
1358 1 110 LEU H 1 111 ASP H 1.800 . 4.500 3.834 2.770 4.542 0.042 16 0 "[ . 1 . 2]" 1
1359 1 107 PHE QB 1 110 LEU HB3 1.800 . 4.000 2.044 1.887 2.499 . 0 0 "[ . 1 . 2]" 1
1360 1 107 PHE QB 1 110 LEU HB2 1.800 . 4.000 2.285 1.994 3.024 . 0 0 "[ . 1 . 2]" 1
1361 1 107 PHE QB 1 110 LEU HA 1.800 . 5.000 4.089 3.895 4.396 . 0 0 "[ . 1 . 2]" 1
1362 1 107 PHE QD 1 110 LEU HB3 1.800 . 5.000 3.747 3.048 4.423 . 0 0 "[ . 1 . 2]" 1
1363 1 107 PHE QD 1 110 LEU HB2 1.800 . 5.000 3.309 2.295 4.263 . 0 0 "[ . 1 . 2]" 1
1364 1 110 LEU HA 1 110 LEU QD 1.800 . 3.000 2.289 1.958 2.987 . 0 0 "[ . 1 . 2]" 1
1365 1 107 PHE HB3 1 110 LEU HG 1.800 . 5.000 4.800 4.423 5.035 0.035 16 0 "[ . 1 . 2]" 1
1366 1 107 PHE HB2 1 110 LEU HG 1.800 . 5.000 4.646 4.368 5.013 0.013 16 0 "[ . 1 . 2]" 1
1367 1 110 LEU HA 1 110 LEU HG 1.800 . 4.000 2.680 2.248 3.030 . 0 0 "[ . 1 . 2]" 1
1368 1 104 LYS H 1 111 ASP H 1.800 . 6.000 5.838 5.531 6.026 0.026 9 0 "[ . 1 . 2]" 1
1369 1 110 LEU HA 1 111 ASP H 1.800 . 3.000 2.324 2.141 2.743 . 0 0 "[ . 1 . 2]" 1
1370 1 110 LEU HB3 1 111 ASP H 1.800 . 5.000 4.218 3.153 4.437 . 0 0 "[ . 1 . 2]" 1
1371 1 110 LEU HB2 1 111 ASP H 1.800 . 5.000 4.567 4.075 4.673 . 0 0 "[ . 1 . 2]" 1
1372 1 110 LEU QB 1 111 ASP H 1.800 . 4.500 3.887 3.052 4.035 . 0 0 "[ . 1 . 2]" 1
1373 1 111 ASP H 1 111 ASP QB 1.800 . 3.500 2.563 2.198 3.354 . 0 0 "[ . 1 . 2]" 1
1374 1 111 ASP H 1 111 ASP HB3 1.800 . 4.000 3.064 2.681 3.709 . 0 0 "[ . 1 . 2]" 1
1375 1 111 ASP H 1 111 ASP HB2 1.800 . 4.000 2.904 2.290 3.964 . 0 0 "[ . 1 . 2]" 1
1376 1 111 ASP H 1 112 THR H 1.800 . 5.000 3.544 2.097 4.246 . 0 0 "[ . 1 . 2]" 1
1377 1 111 ASP H 1 112 THR MG 1.800 . 5.000 3.795 2.742 4.320 . 0 0 "[ . 1 . 2]" 1
1378 1 64 PHE QE 1 111 ASP H 1.800 . 3.500 3.227 2.536 3.505 0.005 19 0 "[ . 1 . 2]" 1
1379 1 104 LYS QB 1 111 ASP HA 1.800 . 3.500 2.888 2.271 3.518 0.018 20 0 "[ . 1 . 2]" 1
1380 1 104 LYS QB 1 111 ASP HB3 1.800 . 4.500 3.698 2.056 4.552 0.052 2 0 "[ . 1 . 2]" 1
1381 1 104 LYS QB 1 111 ASP HB2 1.800 . 4.500 3.279 2.166 4.460 . 0 0 "[ . 1 . 2]" 1
1382 1 110 LEU QD 1 111 ASP H 1.800 . 4.500 3.721 3.048 4.426 . 0 0 "[ . 1 . 2]" 1
1383 1 110 LEU HG 1 111 ASP H 1.800 . 5.000 3.808 2.250 4.691 . 0 0 "[ . 1 . 2]" 1
1384 1 112 THR HA 1 112 THR MG 1.800 . 3.500 3.219 3.208 3.230 . 0 0 "[ . 1 . 2]" 1
1385 1 112 THR HA 1 115 LYS QE 1.800 . 5.000 4.347 3.525 5.012 0.012 18 0 "[ . 1 . 2]" 1
1386 1 64 PHE QD 1 112 THR HA 1.800 . 6.000 5.272 4.698 5.486 . 0 0 "[ . 1 . 2]" 1
1387 1 64 PHE QE 1 112 THR HA 1.800 . 6.000 4.308 3.787 4.885 . 0 0 "[ . 1 . 2]" 1
1388 1 64 PHE QD 1 112 THR HB 1.800 . 3.500 3.356 2.992 3.506 0.006 12 0 "[ . 1 . 2]" 1
1389 1 64 PHE QE 1 112 THR HB 1.800 . 3.500 2.878 2.741 3.231 . 0 0 "[ . 1 . 2]" 1
1390 1 64 PHE QD 1 112 THR MG 1.800 . 3.500 2.835 2.459 3.110 . 0 0 "[ . 1 . 2]" 1
1391 1 64 PHE QE 1 112 THR MG 1.800 . 3.500 3.489 3.328 3.542 0.042 14 0 "[ . 1 . 2]" 1
1392 1 64 PHE HB3 1 112 THR MG 1.800 . 4.000 3.281 2.636 3.788 . 0 0 "[ . 1 . 2]" 1
1393 1 64 PHE HB2 1 112 THR MG 1.800 . 4.000 2.629 2.229 2.951 . 0 0 "[ . 1 . 2]" 1
1394 1 64 PHE QB 1 112 THR MG 1.800 . 3.500 2.522 2.117 2.843 . 0 0 "[ . 1 . 2]" 1
1395 1 64 PHE HA 1 112 THR MG 1.800 . 5.000 4.539 4.217 4.867 . 0 0 "[ . 1 . 2]" 1
1396 1 110 LEU HA 1 112 THR MG 1.800 . 4.000 3.741 3.221 4.020 0.020 3 0 "[ . 1 . 2]" 1
1397 1 110 LEU HG 1 112 THR MG 1.800 . 3.000 2.183 1.883 2.720 . 0 0 "[ . 1 . 2]" 1
1398 1 110 LEU MD1 1 112 THR MG 1.800 . 4.000 2.837 1.908 3.614 . 0 0 "[ . 1 . 2]" 1
1399 1 110 LEU MD2 1 112 THR MG 1.800 . 4.000 2.804 1.886 3.181 . 0 0 "[ . 1 . 2]" 1
1400 1 111 ASP HA 1 112 THR H 1.800 . 3.000 2.424 2.193 2.870 . 0 0 "[ . 1 . 2]" 1
1401 1 112 THR H 1 112 THR MG 1.800 . 3.000 2.253 2.063 2.490 . 0 0 "[ . 1 . 2]" 1
1402 1 112 THR H 1 112 THR HB 1.800 . 4.000 3.341 3.048 3.545 . 0 0 "[ . 1 . 2]" 1
1403 1 112 THR H 1 113 THR H 1.800 . 5.000 4.348 3.790 4.523 . 0 0 "[ . 1 . 2]" 1
1404 1 103 LEU QD 1 112 THR H 1.800 . 5.000 3.207 2.505 4.202 . 0 0 "[ . 1 . 2]" 1
1405 1 102 SER HA 1 112 THR H 1.800 . 5.000 4.159 3.468 4.756 . 0 0 "[ . 1 . 2]" 1
1406 1 103 LEU HG 1 112 THR H 1.800 . 5.000 4.215 2.486 5.023 0.023 15 0 "[ . 1 . 2]" 1
1407 1 112 THR HA 1 113 THR H 1.800 . 3.000 2.295 2.140 2.481 . 0 0 "[ . 1 . 2]" 1
1408 1 112 THR MG 1 113 THR H 1.800 . 4.500 3.796 3.320 4.315 . 0 0 "[ . 1 . 2]" 1
1409 1 113 THR H 1 113 THR HB 1.800 . 4.000 3.745 3.594 3.905 . 0 0 "[ . 1 . 2]" 1
1410 1 113 THR H 1 113 THR MG 1.800 . 3.000 2.770 2.126 3.004 0.004 10 0 "[ . 1 . 2]" 1
1411 1 113 THR H 1 114 LEU H 1.800 . 5.000 4.483 4.324 4.624 . 0 0 "[ . 1 . 2]" 1
1412 1 113 THR H 1 115 LYS QE 1.800 . 5.000 3.484 2.184 4.243 . 0 0 "[ . 1 . 2]" 1
1413 1 99 GLN HA 1 113 THR HB 1.800 . 4.000 3.577 3.112 3.997 . 0 0 "[ . 1 . 2]" 1
1414 1 113 THR HA 1 113 THR MG 1.800 . 3.000 2.421 2.275 2.561 . 0 0 "[ . 1 . 2]" 1
1415 1 99 GLN HA 1 114 LEU H 1.800 . 4.000 2.662 2.273 3.144 . 0 0 "[ . 1 . 2]" 1
1416 1 113 THR HA 1 114 LEU H 1.800 . 3.000 2.521 2.378 2.772 . 0 0 "[ . 1 . 2]" 1
1417 1 113 THR HB 1 114 LEU H 1.800 . 3.000 2.263 1.978 2.543 . 0 0 "[ . 1 . 2]" 1
1418 1 113 THR MG 1 114 LEU H 1.800 . 4.500 3.680 3.542 3.905 . 0 0 "[ . 1 . 2]" 1
1419 1 114 LEU H 1 114 LEU QB 1.800 . 4.000 2.456 2.165 2.664 . 0 0 "[ . 1 . 2]" 1
1420 1 114 LEU H 1 114 LEU HG 1.800 . 4.000 2.953 1.986 3.989 . 0 0 "[ . 1 . 2]" 1
1421 1 114 LEU H 1 114 LEU MD1 1.800 . 5.000 2.893 1.987 3.701 . 0 0 "[ . 1 . 2]" 1
1422 1 114 LEU H 1 114 LEU MD2 1.800 . 5.000 3.294 1.971 4.250 . 0 0 "[ . 1 . 2]" 1
1423 1 114 LEU H 1 115 LYS H 1.800 . 5.000 4.316 4.015 4.585 . 0 0 "[ . 1 . 2]" 1
1424 1 46 TYR QB 1 114 LEU QD 1.800 . 3.500 2.430 1.889 3.371 . 0 0 "[ . 1 . 2]" 1
1425 1 62 ILE MD 1 114 LEU QD 1.800 . 4.000 2.852 2.014 3.628 . 0 0 "[ . 1 . 2]" 1
1426 1 98 TYR QB 1 114 LEU QD 1.800 . 5.000 3.078 1.822 4.785 . 0 0 "[ . 1 . 2]" 1
1427 1 99 GLN HA 1 114 LEU QD 1.800 . 5.000 2.382 1.823 2.879 . 0 0 "[ . 1 . 2]" 1
1428 1 114 LEU QB 1 114 LEU QD 1.800 . 3.000 1.922 1.840 2.006 . 0 0 "[ . 1 . 2]" 1
1429 1 62 ILE MD 1 114 LEU HA 1.800 . 4.000 3.325 2.655 4.005 0.005 18 0 "[ . 1 . 2]" 1
1430 1 44 GLY QA 1 115 LYS H 1.800 . 5.000 3.577 3.027 4.249 . 0 0 "[ . 1 . 2]" 1
1431 1 45 THR HA 1 115 LYS H 1.800 . 5.000 4.663 3.940 5.014 0.014 12 0 "[ . 1 . 2]" 1
1432 1 62 ILE MD 1 115 LYS H 1.800 . 5.000 4.199 3.723 4.923 . 0 0 "[ . 1 . 2]" 1
1433 1 114 LEU HA 1 115 LYS H 1.800 . 3.000 2.195 2.161 2.282 . 0 0 "[ . 1 . 2]" 1
1434 1 114 LEU QB 1 115 LYS H 1.800 . 4.000 3.568 3.117 3.774 . 0 0 "[ . 1 . 2]" 1
1435 1 115 LYS H 1 115 LYS HA 1.800 . 3.000 2.916 2.849 2.950 . 0 0 "[ . 1 . 2]" 1
1436 1 115 LYS H 1 115 LYS HB3 1.800 . 4.000 3.621 3.440 3.791 . 0 0 "[ . 1 . 2]" 1
1437 1 115 LYS H 1 115 LYS HB2 1.800 . 4.000 2.413 2.143 2.657 . 0 0 "[ . 1 . 2]" 1
1438 1 115 LYS H 1 115 LYS QB 1.800 . 3.000 2.379 2.123 2.607 . 0 0 "[ . 1 . 2]" 1
1439 1 115 LYS H 1 115 LYS HG3 1.800 . 4.500 3.048 2.408 3.817 . 0 0 "[ . 1 . 2]" 1
1440 1 115 LYS H 1 115 LYS HG2 1.800 . 4.500 4.124 2.924 4.443 . 0 0 "[ . 1 . 2]" 1
1441 1 115 LYS H 1 115 LYS QD 1.800 . 5.000 3.552 2.541 4.306 . 0 0 "[ . 1 . 2]" 1
1442 1 115 LYS H 1 116 TYR H 1.800 . 3.000 2.673 2.430 2.942 . 0 0 "[ . 1 . 2]" 1
1443 1 114 LEU QD 1 115 LYS H 1.800 . 5.000 4.047 3.632 4.621 . 0 0 "[ . 1 . 2]" 1
1444 1 115 LYS HA 1 115 LYS QG 1.800 . 3.000 2.361 2.072 2.591 . 0 0 "[ . 1 . 2]" 1
1445 1 115 LYS HA 1 115 LYS QE 1.800 . 5.000 4.611 3.976 4.928 . 0 0 "[ . 1 . 2]" 1
1446 1 115 LYS HB3 1 116 TYR QE 1.800 . 5.000 3.166 2.759 3.642 . 0 0 "[ . 1 . 2]" 1
1447 1 115 LYS HB2 1 116 TYR QE 1.800 . 5.000 3.818 3.129 4.209 . 0 0 "[ . 1 . 2]" 1
1448 1 44 GLY QA 1 116 TYR H 1.800 . 5.000 3.654 3.193 3.947 . 0 0 "[ . 1 . 2]" 1
1449 1 45 THR HA 1 116 TYR H 1.800 . 3.500 3.221 2.970 3.466 . 0 0 "[ . 1 . 2]" 1
1450 1 115 LYS HA 1 116 TYR H 1.800 . 4.000 3.583 3.569 3.590 . 0 0 "[ . 1 . 2]" 1
1451 1 115 LYS HB3 1 116 TYR H 1.800 . 4.000 2.928 2.485 3.368 . 0 0 "[ . 1 . 2]" 1
1452 1 115 LYS HB2 1 116 TYR H 1.800 . 4.000 2.217 2.006 2.509 . 0 0 "[ . 1 . 2]" 1
1453 1 115 LYS HG3 1 116 TYR H 1.800 . 5.000 4.414 4.002 4.749 . 0 0 "[ . 1 . 2]" 1
1454 1 115 LYS HG2 1 116 TYR H 1.800 . 5.000 4.754 4.575 4.944 . 0 0 "[ . 1 . 2]" 1
1455 1 116 TYR H 1 116 TYR QB 1.800 . 3.500 2.870 2.703 2.974 . 0 0 "[ . 1 . 2]" 1
1456 1 116 TYR H 1 116 TYR QE 1.800 . 5.000 4.483 4.058 4.689 . 0 0 "[ . 1 . 2]" 1
1457 1 45 THR HA 1 116 TYR HA 1.800 . 5.000 4.951 4.830 5.009 0.009 7 0 "[ . 1 . 2]" 1
1458 1 115 LYS QD 1 116 TYR H 1.800 . 5.000 4.104 3.596 4.433 . 0 0 "[ . 1 . 2]" 1
1459 1 46 TYR QD 1 116 TYR H 1.800 . 3.500 3.077 2.571 3.395 . 0 0 "[ . 1 . 2]" 1
1460 1 46 TYR QE 1 116 TYR HA 1.800 . 4.000 3.120 2.546 3.405 . 0 0 "[ . 1 . 2]" 1
1461 1 45 THR MG 1 116 TYR H 1.800 . 5.000 4.757 4.147 4.948 . 0 0 "[ . 1 . 2]" 1
1462 1 114 LEU HA 1 116 TYR H 1.800 . 6.000 4.497 4.227 4.716 . 0 0 "[ . 1 . 2]" 1
1463 1 116 TYR HA 1 117 PRO HD3 1.800 . 3.000 2.239 1.837 2.495 . 0 0 "[ . 1 . 2]" 1
1464 1 116 TYR HA 1 117 PRO HD2 1.800 . 3.000 2.434 1.976 2.978 . 0 0 "[ . 1 . 2]" 1
1465 1 116 TYR QB 1 117 PRO QD 1.800 . 4.000 2.420 1.978 3.284 . 0 0 "[ . 1 . 2]" 1
1466 1 117 PRO HA 1 118 TYR H 1.800 . 3.000 2.541 2.154 2.664 . 0 0 "[ . 1 . 2]" 1
1467 1 118 TYR H 1 118 TYR HB3 1.800 . 4.000 2.784 2.336 4.040 0.040 16 0 "[ . 1 . 2]" 1
1468 1 118 TYR H 1 118 TYR HB2 1.800 . 4.000 3.540 2.208 3.762 . 0 0 "[ . 1 . 2]" 1
1469 1 118 TYR H 1 118 TYR QB 1.800 . 3.500 2.576 2.186 3.064 . 0 0 "[ . 1 . 2]" 1
1470 1 118 TYR H 1 118 TYR QD 1.800 . 3.500 2.254 1.978 3.542 0.042 9 0 "[ . 1 . 2]" 1
1471 1 118 TYR H 1 118 TYR QE 1.800 . 5.000 4.281 3.975 5.045 0.045 16 0 "[ . 1 . 2]" 1
1472 1 24 TRP HA 1 118 TYR H 1.800 . 5.000 3.650 2.834 4.520 . 0 0 "[ . 1 . 2]" 1
1473 1 45 THR MG 1 118 TYR H 1.800 . 5.000 3.565 2.196 4.138 . 0 0 "[ . 1 . 2]" 1
1474 1 46 TYR H 1 118 TYR H 1.800 . 5.000 4.477 3.042 4.901 . 0 0 "[ . 1 . 2]" 1
1475 1 118 TYR HA 1 119 LYS H 1.800 . 4.000 3.308 3.006 3.584 . 0 0 "[ . 1 . 2]" 1
1476 1 118 TYR HB3 1 119 LYS H 1.800 . 5.000 3.970 2.017 4.580 . 0 0 "[ . 1 . 2]" 1
1477 1 118 TYR HB2 1 119 LYS H 1.800 . 5.000 4.094 2.341 4.584 . 0 0 "[ . 1 . 2]" 1
1478 1 118 TYR H 1 119 LYS H 1.800 . 5.000 2.766 2.084 4.231 . 0 0 "[ . 1 . 2]" 1
1479 1 119 LYS H 1 119 LYS HA 1.800 . 3.000 2.869 2.752 2.944 . 0 0 "[ . 1 . 2]" 1
1480 1 119 LYS H 1 119 LYS HG3 1.800 . 4.000 3.037 2.116 3.945 . 0 0 "[ . 1 . 2]" 1
1481 1 119 LYS H 1 119 LYS HG2 1.800 . 4.000 2.971 1.779 3.860 0.021 16 0 "[ . 1 . 2]" 1
1482 1 119 LYS H 1 119 LYS QB 1.800 . 3.000 2.484 2.212 2.985 . 0 0 "[ . 1 . 2]" 1
1483 1 119 LYS H 1 120 SER H 1.800 . 3.500 2.834 2.137 3.317 . 0 0 "[ . 1 . 2]" 1
1484 1 119 LYS HA 1 119 LYS HG3 1.800 . 4.000 3.518 3.058 4.096 0.096 9 0 "[ . 1 . 2]" 1
1485 1 119 LYS HA 1 119 LYS HG2 1.800 . 4.000 2.733 2.160 3.906 . 0 0 "[ . 1 . 2]" 1
1486 1 119 LYS HA 1 119 LYS QE 1.800 . 5.000 4.495 3.756 4.990 . 0 0 "[ . 1 . 2]" 1
1487 1 119 LYS HA 1 120 SER HA 1.800 . 5.000 4.743 4.504 4.921 . 0 0 "[ . 1 . 2]" 1
1488 1 119 LYS HA 1 120 SER H 1.800 . 4.000 3.562 3.494 3.585 . 0 0 "[ . 1 . 2]" 1
1489 1 119 LYS QB 1 120 SER H 1.800 . 3.500 2.352 1.914 3.439 . 0 0 "[ . 1 . 2]" 1
1490 1 119 LYS HG3 1 120 SER H 1.800 . 5.000 3.762 1.833 4.546 . 0 0 "[ . 1 . 2]" 1
1491 1 119 LYS HG2 1 120 SER H 1.800 . 5.000 4.110 2.137 5.026 0.026 19 0 "[ . 1 . 2]" 1
1492 1 120 SER H 1 120 SER HA 1.800 . 3.000 2.824 2.739 2.949 . 0 0 "[ . 1 . 2]" 1
1493 1 120 SER H 1 120 SER QB 1.800 . 3.000 2.866 2.091 3.037 0.037 14 0 "[ . 1 . 2]" 1
1494 1 120 SER H 1 121 ARG H 1.800 . 3.500 2.908 2.004 3.611 0.111 19 0 "[ . 1 . 2]" 1
1495 1 120 SER HA 1 121 ARG H 1.800 . 3.500 3.115 2.120 3.561 0.061 9 0 "[ . 1 . 2]" 1
1496 1 120 SER QB 1 121 ARG H 1.800 . 3.500 2.650 1.949 3.597 0.097 19 0 "[ . 1 . 2]" 1
1497 1 121 ARG H 1 121 ARG HB3 1.800 . 4.000 3.596 2.821 4.030 0.030 15 0 "[ . 1 . 2]" 1
1498 1 121 ARG H 1 121 ARG HB2 1.800 . 4.000 2.826 2.158 3.483 . 0 0 "[ . 1 . 2]" 1
1499 1 121 ARG H 1 121 ARG QB 1.800 . 3.000 2.705 2.108 3.035 0.035 20 0 "[ . 1 . 2]" 1
1500 1 121 ARG H 1 121 ARG QG 1.800 . 4.000 3.825 3.080 4.094 0.094 13 0 "[ . 1 . 2]" 1
1501 1 121 ARG H 1 122 GLU H 1.800 . 4.500 3.517 2.123 4.404 . 0 0 "[ . 1 . 2]" 1
1502 1 121 ARG HA 1 121 ARG QD 1.800 . 3.000 2.648 2.001 3.026 0.026 16 0 "[ . 1 . 2]" 1
1503 1 116 TYR HA 1 121 ARG QD 1.800 . 5.000 4.405 2.689 5.056 0.056 2 0 "[ . 1 . 2]" 1
1504 1 120 SER QB 1 122 GLU H 1.800 . 5.000 4.417 2.552 5.063 0.063 1 0 "[ . 1 . 2]" 1
1505 1 121 ARG HA 1 122 GLU H 1.800 . 3.000 2.324 2.132 2.780 . 0 0 "[ . 1 . 2]" 1
1506 1 121 ARG QB 1 122 GLU H 1.800 . 4.000 3.825 3.481 4.013 0.013 7 0 "[ . 1 . 2]" 1
1507 1 122 GLU H 1 122 GLU HA 1.800 . 3.000 2.875 2.797 2.948 . 0 0 "[ . 1 . 2]" 1
1508 1 122 GLU H 1 122 GLU QG 1.800 . 3.500 2.979 1.969 3.492 . 0 0 "[ . 1 . 2]" 1
1509 1 122 GLU H 1 122 GLU HB3 1.800 . 3.500 3.318 2.521 3.516 0.016 10 0 "[ . 1 . 2]" 1
1510 1 122 GLU H 1 122 GLU HB2 1.800 . 3.500 2.474 2.062 3.598 0.098 9 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 50
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.302
_Distance_constraint_stats_list.Viol_max 0.008
_Distance_constraint_stats_list.Viol_rms 0.0003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0076
_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 24 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 0.015 0.008 16 0 "[ . 1 . 2]"
1 45 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 TYR 0.015 0.008 16 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 26 ALA H 1 48 ILE O 2.000 . 2.700 1.967 1.696 2.472 . 0 0 "[ . 1 . 2]" 2
2 1 26 ALA N 1 48 ILE O 3.000 2.400 3.700 2.859 2.590 3.339 . 0 0 "[ . 1 . 2]" 2
3 1 46 TYR H 1 116 TYR O 2.000 . 2.700 2.204 1.788 2.629 . 0 0 "[ . 1 . 2]" 2
4 1 46 TYR N 1 116 TYR O 3.000 2.400 3.700 3.116 2.738 3.490 . 0 0 "[ . 1 . 2]" 2
5 1 47 LEU H 1 61 SER O 2.000 . 2.700 2.051 1.812 2.503 . 0 0 "[ . 1 . 2]" 2
6 1 47 LEU N 1 61 SER O 3.000 2.400 3.700 2.863 2.703 3.246 . 0 0 "[ . 1 . 2]" 2
7 1 24 TRP O 1 48 ILE H 2.000 . 2.700 2.143 1.916 2.603 . 0 0 "[ . 1 . 2]" 2
8 1 24 TRP O 1 48 ILE N 3.000 2.400 3.700 3.013 2.715 3.303 . 0 0 "[ . 1 . 2]" 2
9 1 49 ARG H 1 59 ALA O 2.000 . 2.700 2.101 1.847 2.518 . 0 0 "[ . 1 . 2]" 2
10 1 49 ARG N 1 59 ALA O 3.000 2.400 3.700 3.011 2.785 3.355 . 0 0 "[ . 1 . 2]" 2
11 1 49 ARG O 1 59 ALA H 2.000 . 2.700 2.341 1.705 2.647 . 0 0 "[ . 1 . 2]" 2
12 1 49 ARG O 1 59 ALA N 3.000 2.400 3.700 3.229 2.655 3.598 . 0 0 "[ . 1 . 2]" 2
13 1 60 ILE H 1 71 ILE O 2.000 . 2.700 1.957 1.727 2.274 . 0 0 "[ . 1 . 2]" 2
14 1 60 ILE N 1 71 ILE O 3.000 2.400 3.700 2.888 2.663 3.167 . 0 0 "[ . 1 . 2]" 2
15 1 47 LEU O 1 61 SER H 2.000 . 2.700 2.026 1.766 2.293 . 0 0 "[ . 1 . 2]" 2
16 1 47 LEU O 1 61 SER N 3.000 2.400 3.700 2.859 2.727 3.022 . 0 0 "[ . 1 . 2]" 2
17 1 62 ILE H 1 69 LYS O 2.000 . 2.700 2.273 1.833 2.581 . 0 0 "[ . 1 . 2]" 2
18 1 62 ILE N 1 69 LYS O 3.000 2.400 3.700 3.130 2.780 3.371 . 0 0 "[ . 1 . 2]" 2
19 1 45 THR O 1 63 LYS H 2.000 . 2.700 1.940 1.722 2.104 . 0 0 "[ . 1 . 2]" 2
20 1 45 THR O 1 63 LYS N 3.000 2.400 3.700 2.748 2.635 2.890 . 0 0 "[ . 1 . 2]" 2
21 1 64 PHE H 1 67 GLU O 2.000 . 2.700 2.200 1.933 2.526 . 0 0 "[ . 1 . 2]" 2
22 1 64 PHE N 1 67 GLU O 3.000 2.400 3.700 3.125 2.888 3.457 . 0 0 "[ . 1 . 2]" 2
23 1 64 PHE O 1 67 GLU H 2.000 . 2.700 2.238 2.088 2.424 . 0 0 "[ . 1 . 2]" 2
24 1 64 PHE O 1 67 GLU N 3.000 2.400 3.700 3.046 2.914 3.224 . 0 0 "[ . 1 . 2]" 2
25 1 62 ILE O 1 69 LYS H 2.000 . 2.700 2.051 1.711 2.501 . 0 0 "[ . 1 . 2]" 2
26 1 62 ILE O 1 69 LYS N 3.000 2.400 3.700 2.908 2.650 3.317 . 0 0 "[ . 1 . 2]" 2
27 1 60 ILE O 1 71 ILE H 2.000 . 2.700 1.981 1.744 2.335 . 0 0 "[ . 1 . 2]" 2
28 1 60 ILE O 1 71 ILE N 3.000 2.400 3.700 2.832 2.648 3.230 . 0 0 "[ . 1 . 2]" 2
29 1 58 PHE O 1 73 VAL H 2.000 . 2.700 2.252 1.784 2.663 . 0 0 "[ . 1 . 2]" 2
30 1 58 PHE O 1 73 VAL N 3.000 2.400 3.700 3.100 2.675 3.425 . 0 0 "[ . 1 . 2]" 2
31 1 74 VAL H 1 81 HIS O 2.000 . 2.700 2.383 1.985 2.687 . 0 0 "[ . 1 . 2]" 2
32 1 74 VAL N 1 81 HIS O 3.000 2.400 3.700 3.278 2.843 3.541 . 0 0 "[ . 1 . 2]" 2
33 1 80 ILE H 1 88 PHE O 2.000 . 2.700 1.881 1.623 2.172 . 0 0 "[ . 1 . 2]" 2
34 1 80 ILE N 1 88 PHE O 3.000 2.400 3.700 2.827 2.602 3.153 . 0 0 "[ . 1 . 2]" 2
35 1 80 ILE O 1 88 PHE H 2.000 . 2.700 2.140 1.895 2.584 . 0 0 "[ . 1 . 2]" 2
36 1 80 ILE O 1 88 PHE N 3.000 2.400 3.700 3.019 2.823 3.407 . 0 0 "[ . 1 . 2]" 2
37 1 90 SER O 1 94 LEU H 2.000 . 2.700 2.414 2.141 2.587 . 0 0 "[ . 1 . 2]" 2
38 1 90 SER O 1 94 LEU N 3.000 2.400 3.700 3.339 3.099 3.525 . 0 0 "[ . 1 . 2]" 2
39 1 91 LEU O 1 95 VAL H 2.000 . 2.700 2.143 1.853 2.526 . 0 0 "[ . 1 . 2]" 2
40 1 91 LEU O 1 95 VAL N 3.000 2.400 3.700 3.100 2.828 3.422 . 0 0 "[ . 1 . 2]" 2
41 1 92 LEU O 1 96 GLU H 2.000 . 2.700 2.027 1.574 2.467 . 0 0 "[ . 1 . 2]" 2
42 1 92 LEU O 1 96 GLU N 3.000 2.400 3.700 2.953 2.534 3.334 . 0 0 "[ . 1 . 2]" 2
43 1 93 GLU O 1 97 TYR H 2.000 . 2.700 2.156 1.844 2.421 . 0 0 "[ . 1 . 2]" 2
44 1 93 GLU O 1 97 TYR N 3.000 2.400 3.700 3.014 2.751 3.304 . 0 0 "[ . 1 . 2]" 2
45 1 94 LEU O 1 98 TYR H 2.000 . 2.700 2.250 1.942 2.628 . 0 0 "[ . 1 . 2]" 2
46 1 94 LEU O 1 98 TYR N 3.000 2.400 3.700 3.210 2.886 3.603 . 0 0 "[ . 1 . 2]" 2
47 1 95 VAL O 1 99 GLN H 2.000 . 2.700 2.124 1.855 2.621 . 0 0 "[ . 1 . 2]" 2
48 1 95 VAL O 1 99 GLN N 3.000 2.400 3.700 2.837 2.638 3.163 . 0 0 "[ . 1 . 2]" 2
49 1 44 GLY O 1 116 TYR H 2.000 . 2.700 2.201 1.814 2.708 0.008 16 0 "[ . 1 . 2]" 2
50 1 44 GLY O 1 116 TYR N 3.000 2.400 3.700 3.136 2.783 3.653 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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