Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
548586 | 2lpm RC | 16905 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lpm
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 1199
_Distance_constraint_stats_list.Viol_count 1724
_Distance_constraint_stats_list.Viol_total 2843.826
_Distance_constraint_stats_list.Viol_max 0.298
_Distance_constraint_stats_list.Viol_rms 0.0267
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0825
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 THR 1.767 0.210 12 0 "[ . 1 . 2]"
1 6 GLU 1.520 0.210 12 0 "[ . 1 . 2]"
1 7 ARG 0.448 0.153 18 0 "[ . 1 . 2]"
1 8 ARG 1.832 0.199 10 0 "[ . 1 . 2]"
1 9 LEU 8.478 0.298 9 0 "[ . 1 . 2]"
1 10 ARG 4.648 0.298 9 0 "[ . 1 . 2]"
1 11 VAL 0.512 0.100 8 0 "[ . 1 . 2]"
1 12 LEU 0.120 0.038 5 0 "[ . 1 . 2]"
1 13 VAL 4.987 0.195 9 0 "[ . 1 . 2]"
1 14 VAL 1.864 0.177 9 0 "[ . 1 . 2]"
1 15 GLU 1.220 0.218 2 0 "[ . 1 . 2]"
1 16 ASP 3.291 0.218 2 0 "[ . 1 . 2]"
1 17 GLU 0.680 0.178 2 0 "[ . 1 . 2]"
1 18 SER 0.065 0.043 2 0 "[ . 1 . 2]"
1 19 MET 1.585 0.143 12 0 "[ . 1 . 2]"
1 20 ILE 2.794 0.150 12 0 "[ . 1 . 2]"
1 21 ALA 0.331 0.055 13 0 "[ . 1 . 2]"
1 22 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.981 0.128 15 0 "[ . 1 . 2]"
1 24 ILE 1.789 0.099 4 0 "[ . 1 . 2]"
1 25 GLU 1.710 0.118 19 0 "[ . 1 . 2]"
1 26 ASP 1.940 0.106 4 0 "[ . 1 . 2]"
1 27 THR 1.464 0.157 5 0 "[ . 1 . 2]"
1 28 LEU 1.416 0.189 14 0 "[ . 1 . 2]"
1 29 CYS 1.287 0.106 4 0 "[ . 1 . 2]"
1 30 GLU 3.691 0.189 14 0 "[ . 1 . 2]"
1 31 LEU 0.025 0.025 15 0 "[ . 1 . 2]"
1 32 GLY 0.721 0.165 7 0 "[ . 1 . 2]"
1 33 HIS 2.104 0.165 7 0 "[ . 1 . 2]"
1 34 GLU 0.150 0.045 16 0 "[ . 1 . 2]"
1 35 VAL 0.586 0.171 3 0 "[ . 1 . 2]"
1 36 ALA 3.688 0.176 19 0 "[ . 1 . 2]"
1 37 ALA 1.605 0.163 14 0 "[ . 1 . 2]"
1 38 THR 0.962 0.140 7 0 "[ . 1 . 2]"
1 39 ALA 3.459 0.177 9 0 "[ . 1 . 2]"
1 40 SER 3.865 0.156 14 0 "[ . 1 . 2]"
1 41 ARG 3.716 0.176 13 0 "[ . 1 . 2]"
1 42 MET 1.578 0.122 13 0 "[ . 1 . 2]"
1 43 GLN 0.333 0.068 4 0 "[ . 1 . 2]"
1 44 GLU 1.504 0.086 4 0 "[ . 1 . 2]"
1 45 ALA 0.881 0.152 14 0 "[ . 1 . 2]"
1 46 LEU 2.100 0.152 14 0 "[ . 1 . 2]"
1 47 ASP 2.175 0.137 5 0 "[ . 1 . 2]"
1 48 ILE 2.997 0.174 16 0 "[ . 1 . 2]"
1 49 ALA 2.457 0.151 11 0 "[ . 1 . 2]"
1 50 ARG 2.632 0.169 11 0 "[ . 1 . 2]"
1 51 LYS 1.452 0.169 11 0 "[ . 1 . 2]"
1 52 GLY 0.020 0.016 1 0 "[ . 1 . 2]"
1 53 GLN 0.623 0.124 16 0 "[ . 1 . 2]"
1 54 PHE 1.068 0.228 2 0 "[ . 1 . 2]"
1 55 ASP 0.403 0.179 1 0 "[ . 1 . 2]"
1 56 ILE 1.644 0.228 2 0 "[ . 1 . 2]"
1 57 ALA 1.061 0.119 13 0 "[ . 1 . 2]"
1 58 ILE 3.605 0.196 20 0 "[ . 1 . 2]"
1 59 ILE 8.627 0.196 20 0 "[ . 1 . 2]"
1 60 ASP 1.874 0.209 1 0 "[ . 1 . 2]"
1 61 VAL 0.159 0.065 11 0 "[ . 1 . 2]"
1 62 ASN 0.278 0.151 10 0 "[ . 1 . 2]"
1 63 LEU 0.247 0.058 6 0 "[ . 1 . 2]"
1 64 ASP 0.149 0.043 9 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 1.097 0.117 9 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 SER 1.222 0.117 9 0 "[ . 1 . 2]"
1 69 TYR 1.489 0.150 3 0 "[ . 1 . 2]"
1 70 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 10.203 0.295 7 0 "[ . 1 . 2]"
1 72 ALA 3.412 0.168 16 0 "[ . 1 . 2]"
1 73 ASP 10.668 0.295 7 0 "[ . 1 . 2]"
1 74 ILE 2.929 0.098 20 0 "[ . 1 . 2]"
1 75 LEU 1.890 0.168 16 0 "[ . 1 . 2]"
1 76 ALA 2.858 0.153 2 0 "[ . 1 . 2]"
1 77 GLU 1.638 0.123 2 0 "[ . 1 . 2]"
1 78 ARG 3.731 0.186 3 0 "[ . 1 . 2]"
1 79 ASN 3.126 0.202 15 0 "[ . 1 . 2]"
1 80 VAL 0.087 0.039 14 0 "[ . 1 . 2]"
1 81 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 PHE 3.943 0.201 15 0 "[ . 1 . 2]"
1 83 ILE 2.838 0.219 10 0 "[ . 1 . 2]"
1 84 PHE 0.954 0.114 1 0 "[ . 1 . 2]"
1 85 ALA 1.434 0.273 9 0 "[ . 1 . 2]"
1 86 THR 1.895 0.209 1 0 "[ . 1 . 2]"
1 87 GLY 0.385 0.151 10 0 "[ . 1 . 2]"
1 88 TYR 0.013 0.012 7 0 "[ . 1 . 2]"
1 89 GLY 0.498 0.094 13 0 "[ . 1 . 2]"
1 90 SER 1.622 0.273 9 0 "[ . 1 . 2]"
1 91 LYS 1.454 0.177 6 0 "[ . 1 . 2]"
1 92 GLY 0.074 0.054 1 0 "[ . 1 . 2]"
1 93 LEU 0.131 0.094 9 0 "[ . 1 . 2]"
1 94 ASP 0.495 0.105 6 0 "[ . 1 . 2]"
1 95 THR 4.938 0.201 15 0 "[ . 1 . 2]"
1 96 ARG 0.067 0.067 16 0 "[ . 1 . 2]"
1 97 TYR 5.962 0.219 10 0 "[ . 1 . 2]"
1 98 SER 4.028 0.297 16 0 "[ . 1 . 2]"
1 99 ASN 4.234 0.297 16 0 "[ . 1 . 2]"
1 100 ILE 1.925 0.133 16 0 "[ . 1 . 2]"
1 101 PRO 3.195 0.265 19 0 "[ . 1 . 2]"
1 102 LEU 0.660 0.127 4 0 "[ . 1 . 2]"
1 103 LEU 0.506 0.171 1 0 "[ . 1 . 2]"
1 104 THR 3.353 0.218 13 0 "[ . 1 . 2]"
1 105 LYS 0.552 0.218 13 0 "[ . 1 . 2]"
1 107 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LEU 0.170 0.096 19 0 "[ . 1 . 2]"
1 109 ASP 0.172 0.096 19 0 "[ . 1 . 2]"
1 110 SER 0.069 0.067 18 0 "[ . 1 . 2]"
1 111 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LEU 2.498 0.188 11 0 "[ . 1 . 2]"
1 113 GLU 0.766 0.265 19 0 "[ . 1 . 2]"
1 114 ALA 4.502 0.261 19 0 "[ . 1 . 2]"
1 115 VAL 0.421 0.117 6 0 "[ . 1 . 2]"
1 116 LEU 0.535 0.155 17 0 "[ . 1 . 2]"
1 117 VAL 4.768 0.209 14 0 "[ . 1 . 2]"
1 118 GLN 2.269 0.236 9 0 "[ . 1 . 2]"
1 119 ILE 2.506 0.236 9 0 "[ . 1 . 2]"
1 120 SER 0.577 0.154 12 0 "[ . 1 . 2]"
1 121 LYS 1.339 0.245 3 0 "[ . 1 . 2]"
1 122 GLU 2.306 0.257 11 0 "[ . 1 . 2]"
1 123 VAL 4.926 0.257 11 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 5 THR H 1 6 GLU HA 1.800 . 5.000 4.987 4.672 5.121 0.121 19 0 "[ . 1 . 2]" 1
2 1 5 THR H 1 6 GLU HB3 1.800 . 5.000 4.819 4.415 5.210 0.210 12 0 "[ . 1 . 2]" 1
3 1 5 THR H 1 5 THR MG 1.800 . 6.500 3.068 2.591 3.538 . 0 0 "[ . 1 . 2]" 1
4 1 5 THR HB 1 6 GLU H 1.800 . 2.800 2.720 2.503 2.821 0.021 5 0 "[ . 1 . 2]" 1
5 1 5 THR MG 1 6 GLU H 1.800 . 6.500 3.592 3.055 4.034 . 0 0 "[ . 1 . 2]" 1
6 1 6 GLU H 1 6 GLU HB3 1.800 . 3.800 3.337 2.801 3.638 . 0 0 "[ . 1 . 2]" 1
7 1 6 GLU H 1 7 ARG H 1.800 . 2.800 2.430 1.719 2.862 0.081 18 0 "[ . 1 . 2]" 1
8 1 5 THR HB 1 7 ARG H 1.800 . 3.800 3.371 2.653 3.953 0.153 18 0 "[ . 1 . 2]" 1
9 1 5 THR HB 1 8 ARG H 1.800 . 5.000 4.549 3.265 5.084 0.084 1 0 "[ . 1 . 2]" 1
10 1 8 ARG H 1 9 LEU HA 1.800 . 5.000 5.061 4.726 5.199 0.199 10 0 "[ . 1 . 2]" 1
11 1 7 ARG QD 1 8 ARG H 1.800 . 6.000 3.613 2.799 4.160 . 0 0 "[ . 1 . 2]" 1
12 1 8 ARG H 1 8 ARG HB3 1.800 . 3.800 3.598 3.446 3.733 . 0 0 "[ . 1 . 2]" 1
13 1 8 ARG H 1 8 ARG HB2 1.800 . 3.800 2.441 2.128 2.730 . 0 0 "[ . 1 . 2]" 1
14 1 9 LEU H 1 10 ARG HA 1.800 . 5.000 5.156 4.949 5.298 0.298 9 0 "[ . 1 . 2]" 1
15 1 9 LEU H 1 9 LEU HA 1.800 . 2.800 2.920 2.858 2.980 0.180 1 0 "[ . 1 . 2]" 1
16 1 7 ARG QB 1 9 LEU H 1.800 . 6.000 5.346 4.823 5.588 . 0 0 "[ . 1 . 2]" 1
17 1 8 ARG HB3 1 9 LEU H 1.800 . 5.000 3.577 3.122 3.997 . 0 0 "[ . 1 . 2]" 1
18 1 9 LEU H 1 9 LEU QB 1.800 . 6.000 2.101 1.982 2.359 . 0 0 "[ . 1 . 2]" 1
19 1 9 LEU H 1 9 LEU QD 1.800 . 7.500 2.783 1.953 3.546 . 0 0 "[ . 1 . 2]" 1
20 1 9 LEU H 1 33 HIS H 1.800 . 5.000 5.015 4.650 5.115 0.115 16 0 "[ . 1 . 2]" 1
21 1 10 ARG H 1 55 ASP H 1.800 . 5.000 3.990 2.531 5.179 0.179 1 0 "[ . 1 . 2]" 1
22 1 10 ARG H 1 11 VAL H 1.800 . 6.000 4.339 4.003 4.554 . 0 0 "[ . 1 . 2]" 1
23 1 10 ARG H 1 10 ARG QD 1.800 . 6.000 2.963 1.942 4.529 . 0 0 "[ . 1 . 2]" 1
24 1 9 LEU QD 1 10 ARG H 1.800 . 7.500 2.917 1.843 3.934 . 0 0 "[ . 1 . 2]" 1
25 1 10 ARG H 1 10 ARG HB2 1.800 . 3.800 2.600 2.205 3.386 . 0 0 "[ . 1 . 2]" 1
26 1 10 ARG H 1 10 ARG HB3 1.800 . 3.800 3.600 3.271 3.821 0.021 4 0 "[ . 1 . 2]" 1
27 1 10 ARG H 1 56 ILE QG 1.800 . 6.000 5.161 4.972 5.401 . 0 0 "[ . 1 . 2]" 1
28 1 9 LEU QB 1 10 ARG HA 1.800 . 6.000 4.155 3.943 4.259 . 0 0 "[ . 1 . 2]" 1
29 1 10 ARG HA 1 11 VAL QG 1.800 . 7.500 3.348 3.055 4.214 . 0 0 "[ . 1 . 2]" 1
30 1 10 ARG HA 1 11 VAL H 1.800 . 5.000 2.225 2.172 2.302 . 0 0 "[ . 1 . 2]" 1
31 1 10 ARG HB3 1 10 ARG QD 1.800 . 6.000 2.983 2.202 3.551 . 0 0 "[ . 1 . 2]" 1
32 1 10 ARG HB2 1 10 ARG QD 1.800 . 6.000 2.717 2.085 3.473 . 0 0 "[ . 1 . 2]" 1
33 1 10 ARG HA 1 10 ARG QD 1.800 . 6.000 2.719 1.897 3.498 . 0 0 "[ . 1 . 2]" 1
34 1 10 ARG QD 1 34 GLU QB 1.800 . 7.000 2.361 1.776 3.086 0.024 1 0 "[ . 1 . 2]" 1
35 1 10 ARG QD 1 33 HIS HA 1.800 . 6.000 5.118 4.575 5.549 . 0 0 "[ . 1 . 2]" 1
36 1 10 ARG QD 1 33 HIS HD2 1.800 . 6.000 4.944 4.457 5.258 . 0 0 "[ . 1 . 2]" 1
37 1 11 VAL H 1 34 GLU H 1.800 . 5.000 4.643 3.816 5.045 0.045 16 0 "[ . 1 . 2]" 1
38 1 10 ARG HB2 1 11 VAL H 1.800 . 5.000 4.241 3.188 4.615 . 0 0 "[ . 1 . 2]" 1
39 1 10 ARG HB3 1 11 VAL H 1.800 . 3.800 3.567 3.092 3.900 0.100 8 0 "[ . 1 . 2]" 1
40 1 11 VAL H 1 36 ALA HA 1.800 . 5.000 3.941 2.691 5.014 0.014 5 0 "[ . 1 . 2]" 1
41 1 11 VAL H 1 36 ALA MB 1.800 . 6.500 2.392 1.713 3.659 0.087 1 0 "[ . 1 . 2]" 1
42 1 11 VAL HA 1 12 LEU H 1.800 . 3.800 2.330 2.216 2.433 . 0 0 "[ . 1 . 2]" 1
43 1 12 LEU H 1 58 ILE H 1.800 . 5.300 4.766 4.306 5.216 . 0 0 "[ . 1 . 2]" 1
44 1 12 LEU H 1 57 ALA HA 1.800 . 3.800 3.618 3.033 3.838 0.038 5 0 "[ . 1 . 2]" 1
45 1 11 VAL QG 1 12 LEU H 1.800 . 5.300 3.531 3.069 3.744 . 0 0 "[ . 1 . 2]" 1
46 1 12 LEU H 1 13 VAL HA 1.800 . 6.000 5.200 5.028 5.380 . 0 0 "[ . 1 . 2]" 1
47 1 12 LEU H 1 58 ILE MD 1.800 . 6.500 4.265 3.902 4.735 . 0 0 "[ . 1 . 2]" 1
48 1 12 LEU QD 1 54 PHE QE 1.800 . 7.500 3.776 1.878 5.072 . 0 0 "[ . 1 . 2]" 1
49 1 12 LEU MD1 1 54 PHE QD 1.800 . 6.500 3.289 1.861 5.083 . 0 0 "[ . 1 . 2]" 1
50 1 13 VAL H 1 38 THR H 1.800 . 5.000 5.025 4.799 5.140 0.140 7 0 "[ . 1 . 2]" 1
51 1 13 VAL H 1 36 ALA MB 1.800 . 6.500 3.144 2.855 3.848 . 0 0 "[ . 1 . 2]" 1
52 1 13 VAL H 1 38 THR HA 1.800 . 5.000 4.545 4.331 4.818 . 0 0 "[ . 1 . 2]" 1
53 1 13 VAL H 1 13 VAL HB 1.800 . 3.800 2.926 2.534 3.687 . 0 0 "[ . 1 . 2]" 1
54 1 13 VAL H 1 13 VAL QG 1.800 . 5.300 2.051 1.656 2.441 0.144 19 0 "[ . 1 . 2]" 1
55 1 13 VAL H 1 14 VAL H 1.800 . 5.000 4.465 4.010 4.623 . 0 0 "[ . 1 . 2]" 1
56 1 12 LEU MD2 1 13 VAL H 1.800 . 6.500 4.402 3.663 5.492 . 0 0 "[ . 1 . 2]" 1
57 1 12 LEU HA 1 13 VAL H 1.800 . 5.000 2.327 2.234 2.411 . 0 0 "[ . 1 . 2]" 1
58 1 13 VAL H 1 58 ILE MD 1.800 . 5.300 4.265 4.173 4.370 . 0 0 "[ . 1 . 2]" 1
59 1 14 VAL H 1 60 ASP H 1.800 . 5.000 4.436 4.223 4.919 . 0 0 "[ . 1 . 2]" 1
60 1 14 VAL HA 1 59 ILE HA 1.800 . 5.000 4.822 4.506 5.000 0.000 16 0 "[ . 1 . 2]" 1
61 1 14 VAL HA 1 20 ILE MD 1.800 . 6.500 2.544 2.133 3.095 . 0 0 "[ . 1 . 2]" 1
62 1 14 VAL HA 1 38 THR HA 1.800 . 5.000 3.470 2.979 3.874 . 0 0 "[ . 1 . 2]" 1
63 1 14 VAL HA 1 39 ALA MB 1.800 . 6.500 4.271 4.040 4.536 . 0 0 "[ . 1 . 2]" 1
64 1 14 VAL HA 1 14 VAL QG 1.800 . 6.300 2.152 1.929 2.541 . 0 0 "[ . 1 . 2]" 1
65 1 14 VAL HB 1 20 ILE MD 1.800 . 6.500 4.339 4.033 4.654 . 0 0 "[ . 1 . 2]" 1
66 1 14 VAL QG 1 24 ILE MD 1.800 . 7.700 4.389 4.030 4.709 . 0 0 "[ . 1 . 2]" 1
67 1 14 VAL QG 1 15 GLU QB 1.800 . 8.500 3.973 3.274 4.658 . 0 0 "[ . 1 . 2]" 1
68 1 13 VAL H 1 14 VAL QG 1.800 . 7.500 3.660 3.310 4.287 . 0 0 "[ . 1 . 2]" 1
69 1 14 VAL H 1 14 VAL QG 1.800 . 7.500 2.331 1.939 3.231 . 0 0 "[ . 1 . 2]" 1
70 1 14 VAL QG 1 16 ASP H 1.800 . 7.500 5.115 4.251 5.622 . 0 0 "[ . 1 . 2]" 1
71 1 14 VAL QG 1 40 SER HB3 1.800 . 7.500 3.601 2.200 4.353 . 0 0 "[ . 1 . 2]" 1
72 1 14 VAL QG 1 45 ALA HA 1.800 . 7.500 3.572 3.078 4.222 . 0 0 "[ . 1 . 2]" 1
73 1 14 VAL QG 1 48 ILE MD 1.800 . 9.000 3.143 2.570 4.386 . 0 0 "[ . 1 . 2]" 1
74 1 13 VAL H 1 37 ALA H 1.800 . 5.000 2.143 1.975 2.270 . 0 0 "[ . 1 . 2]" 1
75 1 13 VAL HA 1 57 ALA MB 1.800 . 6.500 5.172 4.682 5.451 . 0 0 "[ . 1 . 2]" 1
76 1 13 VAL HA 1 58 ILE HB 1.800 . 5.000 1.804 1.694 2.306 0.106 9 0 "[ . 1 . 2]" 1
77 1 13 VAL HA 1 59 ILE HA 1.800 . 5.000 5.081 4.988 5.195 0.195 9 0 "[ . 1 . 2]" 1
78 1 13 VAL HB 1 20 ILE MD 1.800 . 4.500 2.587 1.750 3.345 0.050 6 0 "[ . 1 . 2]" 1
79 1 13 VAL HB 1 14 VAL HA 1.800 . 5.000 4.439 4.100 4.671 . 0 0 "[ . 1 . 2]" 1
80 1 14 VAL H 1 37 ALA MB 1.800 . 6.500 4.299 3.593 5.217 . 0 0 "[ . 1 . 2]" 1
81 1 14 VAL H 1 14 VAL HB 1.800 . 3.800 3.567 2.638 3.894 0.094 2 0 "[ . 1 . 2]" 1
82 1 13 VAL HB 1 14 VAL H 1.800 . 5.000 3.746 2.664 4.329 . 0 0 "[ . 1 . 2]" 1
83 1 13 VAL QG 1 14 VAL H 1.800 . 5.300 2.658 1.838 3.594 . 0 0 "[ . 1 . 2]" 1
84 1 13 VAL HA 1 14 VAL H 1.800 . 3.800 2.240 2.132 2.353 . 0 0 "[ . 1 . 2]" 1
85 1 14 VAL HA 1 15 GLU H 1.800 . 3.800 2.299 2.183 2.383 . 0 0 "[ . 1 . 2]" 1
86 1 15 GLU H 1 39 ALA H 1.800 . 5.000 3.369 2.679 3.924 . 0 0 "[ . 1 . 2]" 1
87 1 13 VAL QG 1 15 GLU H 1.800 . 7.500 5.123 4.661 5.590 . 0 0 "[ . 1 . 2]" 1
88 1 15 GLU H 1 39 ALA MB 1.800 . 6.500 3.945 3.620 4.342 . 0 0 "[ . 1 . 2]" 1
89 1 15 GLU H 1 40 SER HB2 1.800 . 5.000 4.136 3.596 4.498 . 0 0 "[ . 1 . 2]" 1
90 1 15 GLU H 1 20 ILE QG 1.800 . 6.000 3.648 3.000 4.301 . 0 0 "[ . 1 . 2]" 1
91 1 15 GLU H 1 16 ASP HA 1.800 . 5.000 4.640 4.174 5.218 0.218 2 0 "[ . 1 . 2]" 1
92 1 15 GLU QB 1 16 ASP H 1.800 . 6.000 2.756 1.765 4.019 0.035 20 0 "[ . 1 . 2]" 1
93 1 16 ASP H 1 17 GLU H 1.800 . 3.800 3.256 1.806 3.978 0.178 2 0 "[ . 1 . 2]" 1
94 1 16 ASP H 1 16 ASP HA 1.800 . 2.800 2.846 2.336 2.976 0.176 17 0 "[ . 1 . 2]" 1
95 1 15 GLU HA 1 16 ASP H 1.800 . 3.800 3.214 2.236 3.621 . 0 0 "[ . 1 . 2]" 1
96 1 16 ASP HA 1 17 GLU H 1.800 . 5.000 2.875 2.096 3.626 . 0 0 "[ . 1 . 2]" 1
97 1 17 GLU H 1 18 SER H 1.800 . 5.000 3.740 2.474 4.677 . 0 0 "[ . 1 . 2]" 1
98 1 17 GLU HA 1 17 GLU QG 1.800 . 6.000 2.228 1.934 2.779 . 0 0 "[ . 1 . 2]" 1
99 1 16 ASP HA 1 17 GLU HA 1.800 . 5.000 4.616 4.381 5.025 0.025 11 0 "[ . 1 . 2]" 1
100 1 16 ASP QB 1 17 GLU HA 1.800 . 6.000 4.879 4.163 5.462 . 0 0 "[ . 1 . 2]" 1
101 1 17 GLU HA 1 39 ALA HA 1.800 . 5.000 3.327 2.331 5.131 0.131 9 0 "[ . 1 . 2]" 1
102 1 18 SER HA 1 39 ALA MB 1.800 . 6.500 4.610 2.858 5.387 . 0 0 "[ . 1 . 2]" 1
103 1 17 GLU HA 1 18 SER HA 1.800 . 5.000 4.543 4.414 4.641 . 0 0 "[ . 1 . 2]" 1
104 1 18 SER HA 1 19 MET HA 1.800 . 5.000 4.822 4.688 4.975 . 0 0 "[ . 1 . 2]" 1
105 1 19 MET H 1 19 MET QG 1.800 . 6.000 3.437 1.784 3.969 0.016 11 0 "[ . 1 . 2]" 1
106 1 19 MET H 1 20 ILE HB 1.800 . 5.000 5.037 4.926 5.143 0.143 12 0 "[ . 1 . 2]" 1
107 1 19 MET H 1 20 ILE H 1.800 . 5.000 2.619 2.405 2.996 . 0 0 "[ . 1 . 2]" 1
108 1 18 SER HA 1 20 ILE H 1.800 . 5.000 4.262 3.231 5.043 0.043 2 0 "[ . 1 . 2]" 1
109 1 20 ILE H 1 21 ALA H 1.800 . 5.000 2.594 2.053 3.486 . 0 0 "[ . 1 . 2]" 1
110 1 20 ILE H 1 20 ILE HB 1.800 . 3.800 2.646 2.241 2.947 . 0 0 "[ . 1 . 2]" 1
111 1 19 MET HA 1 20 ILE H 1.800 . 3.800 3.521 3.419 3.578 . 0 0 "[ . 1 . 2]" 1
112 1 20 ILE H 1 20 ILE QG 1.800 . 4.800 3.901 3.833 3.977 . 0 0 "[ . 1 . 2]" 1
113 1 20 ILE H 1 23 LEU QD 1.800 . 7.500 4.613 3.713 5.268 . 0 0 "[ . 1 . 2]" 1
114 1 20 ILE HA 1 20 ILE QG 1.800 . 6.000 2.430 2.305 2.551 . 0 0 "[ . 1 . 2]" 1
115 1 20 ILE HA 1 23 LEU MD1 1.800 . 6.500 2.440 1.811 2.963 . 0 0 "[ . 1 . 2]" 1
116 1 20 ILE HA 1 20 ILE MG 1.800 . 6.500 3.182 3.153 3.198 . 0 0 "[ . 1 . 2]" 1
117 1 19 MET QG 1 20 ILE HA 1.800 . 6.000 4.858 3.248 5.517 . 0 0 "[ . 1 . 2]" 1
118 1 20 ILE HA 1 21 ALA HA 1.800 . 5.000 4.766 4.452 5.007 0.007 19 0 "[ . 1 . 2]" 1
119 1 13 VAL QG 1 20 ILE QG 1.800 . 9.500 2.759 2.050 3.139 . 0 0 "[ . 1 . 2]" 1
120 1 20 ILE QG 1 20 ILE MG 1.800 . 5.300 2.019 1.907 2.144 . 0 0 "[ . 1 . 2]" 1
121 1 20 ILE QG 1 23 LEU MD1 1.800 . 5.300 3.223 2.585 3.541 . 0 0 "[ . 1 . 2]" 1
122 1 20 ILE QG 1 24 ILE HA 1.800 . 6.000 5.112 4.494 5.300 . 0 0 "[ . 1 . 2]" 1
123 1 20 ILE QG 1 24 ILE HB 1.800 . 4.800 3.188 2.352 4.277 . 0 0 "[ . 1 . 2]" 1
124 1 20 ILE QG 1 21 ALA HA 1.800 . 6.000 3.991 3.595 4.291 . 0 0 "[ . 1 . 2]" 1
125 1 20 ILE QG 1 39 ALA MB 1.800 . 6.000 4.327 4.254 4.455 . 0 0 "[ . 1 . 2]" 1
126 1 19 MET QB 1 20 ILE QG 1.800 . 7.000 5.323 5.144 5.674 . 0 0 "[ . 1 . 2]" 1
127 1 20 ILE MD 1 20 ILE MG 1.800 . 6.800 2.704 2.235 3.076 . 0 0 "[ . 1 . 2]" 1
128 1 20 ILE MG 1 38 THR HA 1.800 . 6.500 3.183 2.111 3.523 . 0 0 "[ . 1 . 2]" 1
129 1 14 VAL H 1 20 ILE MG 1.800 . 6.500 5.052 4.451 5.372 . 0 0 "[ . 1 . 2]" 1
130 1 14 VAL HA 1 20 ILE MG 1.800 . 6.500 3.039 2.416 3.708 . 0 0 "[ . 1 . 2]" 1
131 1 21 ALA H 1 22 MET QB 1.800 . 6.000 4.572 4.056 5.289 . 0 0 "[ . 1 . 2]" 1
132 1 21 ALA H 1 23 LEU QD 1.800 . 7.500 4.437 3.578 4.876 . 0 0 "[ . 1 . 2]" 1
133 1 20 ILE MG 1 21 ALA H 1.800 . 6.500 2.636 1.829 3.757 . 0 0 "[ . 1 . 2]" 1
134 1 21 ALA H 1 22 MET H 1.800 . 3.800 3.163 2.414 3.641 . 0 0 "[ . 1 . 2]" 1
135 1 21 ALA H 1 21 ALA MB 1.800 . 4.300 2.115 1.845 2.432 . 0 0 "[ . 1 . 2]" 1
136 1 18 SER HA 1 21 ALA H 1.800 . 5.000 3.509 2.667 5.022 0.022 3 0 "[ . 1 . 2]" 1
137 1 20 ILE MG 1 21 ALA HA 1.800 . 5.300 3.466 3.103 3.995 . 0 0 "[ . 1 . 2]" 1
138 1 21 ALA HA 1 23 LEU HB3 1.800 . 5.000 4.935 4.426 5.055 0.055 13 0 "[ . 1 . 2]" 1
139 1 20 ILE HA 1 21 ALA MB 1.800 . 6.500 4.714 4.368 4.937 . 0 0 "[ . 1 . 2]" 1
140 1 20 ILE HB 1 21 ALA MB 1.800 . 6.500 5.389 5.218 5.497 . 0 0 "[ . 1 . 2]" 1
141 1 20 ILE MG 1 21 ALA MB 1.800 . 6.800 3.150 2.829 3.388 . 0 0 "[ . 1 . 2]" 1
142 1 20 ILE MD 1 21 ALA MB 1.800 . 8.300 5.674 5.414 5.799 . 0 0 "[ . 1 . 2]" 1
143 1 21 ALA MB 1 24 ILE QG 1.800 . 8.000 3.710 3.247 4.207 . 0 0 "[ . 1 . 2]" 1
144 1 21 ALA MB 1 23 LEU MD1 1.800 . 8.000 5.394 5.098 5.556 . 0 0 "[ . 1 . 2]" 1
145 1 21 ALA MB 1 38 THR HA 1.800 . 6.500 4.906 4.206 5.432 . 0 0 "[ . 1 . 2]" 1
146 1 21 ALA MB 1 38 THR MG 1.800 . 8.000 3.486 2.065 4.169 . 0 0 "[ . 1 . 2]" 1
147 1 21 ALA MB 1 22 MET QB 1.800 . 7.500 3.349 3.239 3.541 . 0 0 "[ . 1 . 2]" 1
148 1 22 MET H 1 23 LEU H 1.800 . 5.000 2.735 2.477 2.878 . 0 0 "[ . 1 . 2]" 1
149 1 22 MET H 1 22 MET QB 1.800 . 3.800 2.065 1.941 2.225 . 0 0 "[ . 1 . 2]" 1
150 1 22 MET H 1 22 MET QG 1.800 . 6.000 3.589 2.588 3.932 . 0 0 "[ . 1 . 2]" 1
151 1 21 ALA MB 1 22 MET H 1.800 . 5.300 1.910 1.802 2.255 . 0 0 "[ . 1 . 2]" 1
152 1 18 SER HA 1 22 MET H 1.800 . 5.000 4.282 3.505 4.986 . 0 0 "[ . 1 . 2]" 1
153 1 22 MET HA 1 22 MET QG 1.800 . 4.800 2.356 1.964 3.396 . 0 0 "[ . 1 . 2]" 1
154 1 23 LEU H 1 23 LEU MD1 1.800 . 5.300 3.720 3.259 4.032 . 0 0 "[ . 1 . 2]" 1
155 1 23 LEU H 1 23 LEU HG 1.800 . 5.000 4.307 3.715 4.591 . 0 0 "[ . 1 . 2]" 1
156 1 23 LEU H 1 24 ILE H 1.800 . 3.800 2.588 2.189 2.803 . 0 0 "[ . 1 . 2]" 1
157 1 21 ALA H 1 23 LEU H 1.800 . 5.000 3.281 2.434 3.834 . 0 0 "[ . 1 . 2]" 1
158 1 20 ILE HA 1 23 LEU H 1.800 . 5.000 3.907 3.544 4.438 . 0 0 "[ . 1 . 2]" 1
159 1 23 LEU H 1 23 LEU HB2 1.800 . 3.800 2.462 1.911 3.047 . 0 0 "[ . 1 . 2]" 1
160 1 23 LEU H 1 23 LEU HB3 1.800 . 3.800 2.429 2.110 3.012 . 0 0 "[ . 1 . 2]" 1
161 1 19 MET HA 1 23 LEU H 1.800 . 5.000 4.931 4.417 5.128 0.128 15 0 "[ . 1 . 2]" 1
162 1 20 ILE HA 1 23 LEU QB 1.800 . 6.000 2.332 1.848 2.949 . 0 0 "[ . 1 . 2]" 1
163 1 20 ILE MD 1 23 LEU QB 1.800 . 7.500 4.434 3.286 5.361 . 0 0 "[ . 1 . 2]" 1
164 1 20 ILE QG 1 23 LEU HB3 1.800 . 6.000 3.691 2.656 4.642 . 0 0 "[ . 1 . 2]" 1
165 1 19 MET HA 1 23 LEU QB 1.800 . 6.000 4.248 3.701 4.596 . 0 0 "[ . 1 . 2]" 1
166 1 24 ILE H 1 25 GLU H 1.800 . 3.800 2.212 2.002 2.376 . 0 0 "[ . 1 . 2]" 1
167 1 21 ALA HA 1 24 ILE H 1.800 . 5.000 3.713 3.357 4.063 . 0 0 "[ . 1 . 2]" 1
168 1 24 ILE H 1 24 ILE HB 1.800 . 3.800 2.715 2.355 3.689 . 0 0 "[ . 1 . 2]" 1
169 1 24 ILE H 1 24 ILE MG 1.800 . 5.300 2.087 1.844 2.431 . 0 0 "[ . 1 . 2]" 1
170 1 24 ILE H 1 26 ASP HB3 1.800 . 5.000 5.026 4.925 5.064 0.064 10 0 "[ . 1 . 2]" 1
171 1 22 MET H 1 24 ILE H 1.800 . 5.000 4.292 4.103 4.512 . 0 0 "[ . 1 . 2]" 1
172 1 24 ILE H 1 26 ASP H 1.800 . 5.000 3.576 3.422 3.776 . 0 0 "[ . 1 . 2]" 1
173 1 24 ILE HA 1 24 ILE MG 1.800 . 6.500 3.162 2.559 3.212 . 0 0 "[ . 1 . 2]" 1
174 1 24 ILE HA 1 24 ILE MD 1.800 . 6.500 3.680 3.370 4.105 . 0 0 "[ . 1 . 2]" 1
175 1 23 LEU QD 1 24 ILE HA 1.800 . 6.300 2.989 2.338 3.817 . 0 0 "[ . 1 . 2]" 1
176 1 24 ILE HA 1 25 GLU HA 1.800 . 5.000 4.796 4.712 4.882 . 0 0 "[ . 1 . 2]" 1
177 1 24 ILE HA 1 27 THR HB 1.800 . 5.000 4.151 2.743 5.003 0.003 3 0 "[ . 1 . 2]" 1
178 1 24 ILE HB 1 25 GLU HG3 1.800 . 6.000 5.561 4.915 6.038 0.038 20 0 "[ . 1 . 2]" 1
179 1 24 ILE HA 1 25 GLU H 1.800 . 5.000 3.554 3.493 3.591 . 0 0 "[ . 1 . 2]" 1
180 1 24 ILE HB 1 25 GLU H 1.800 . 3.800 3.791 3.471 3.899 0.099 4 0 "[ . 1 . 2]" 1
181 1 24 ILE MG 1 25 GLU H 1.800 . 5.300 1.896 1.745 3.350 0.055 2 0 "[ . 1 . 2]" 1
182 1 25 GLU H 1 25 GLU QB 1.800 . 3.800 2.161 1.999 2.353 . 0 0 "[ . 1 . 2]" 1
183 1 25 GLU H 1 25 GLU QG 1.800 . 4.800 2.619 2.188 2.972 . 0 0 "[ . 1 . 2]" 1
184 1 22 MET HA 1 25 GLU H 1.800 . 5.000 3.453 3.090 3.933 . 0 0 "[ . 1 . 2]" 1
185 1 25 GLU HA 1 25 GLU QG 1.800 . 6.000 2.149 1.967 2.350 . 0 0 "[ . 1 . 2]" 1
186 1 25 GLU HA 1 28 LEU QD 1.800 . 6.300 2.671 1.993 3.318 . 0 0 "[ . 1 . 2]" 1
187 1 25 GLU HA 1 28 LEU HB2 1.800 . 5.000 4.287 3.357 4.946 . 0 0 "[ . 1 . 2]" 1
188 1 25 GLU QG 1 28 LEU QD 1.800 . 8.500 3.674 2.784 4.855 . 0 0 "[ . 1 . 2]" 1
189 1 24 ILE HB 1 25 GLU QG 1.800 . 6.000 4.937 4.476 5.399 . 0 0 "[ . 1 . 2]" 1
190 1 23 LEU HA 1 26 ASP H 1.800 . 5.000 4.232 3.694 4.622 . 0 0 "[ . 1 . 2]" 1
191 1 25 GLU H 1 26 ASP H 1.800 . 5.000 2.559 2.346 2.760 . 0 0 "[ . 1 . 2]" 1
192 1 26 ASP H 1 27 THR H 1.800 . 5.000 2.517 2.355 2.695 . 0 0 "[ . 1 . 2]" 1
193 1 25 GLU QB 1 26 ASP H 1.800 . 4.800 2.873 2.535 3.135 . 0 0 "[ . 1 . 2]" 1
194 1 26 ASP HA 1 29 CYS HA 1.800 . 5.000 5.064 5.033 5.106 0.106 4 0 "[ . 1 . 2]" 1
195 1 26 ASP HA 1 29 CYS HB3 1.800 . 5.000 3.299 2.491 4.148 . 0 0 "[ . 1 . 2]" 1
196 1 26 ASP HA 1 29 CYS HB2 1.800 . 5.000 2.493 2.229 2.925 . 0 0 "[ . 1 . 2]" 1
197 1 26 ASP HA 1 28 LEU QD 1.800 . 7.500 4.620 3.760 5.552 . 0 0 "[ . 1 . 2]" 1
198 1 22 MET HA 1 26 ASP QB 1.800 . 5.000 3.896 3.353 4.167 . 0 0 "[ . 1 . 2]" 1
199 1 23 LEU HA 1 26 ASP QB 1.800 . 5.000 3.994 3.240 4.386 . 0 0 "[ . 1 . 2]" 1
200 1 22 MET QG 1 26 ASP HB3 1.800 . 4.800 3.582 2.551 4.351 . 0 0 "[ . 1 . 2]" 1
201 1 26 ASP HA 1 27 THR H 1.800 . 5.000 3.583 3.557 3.614 . 0 0 "[ . 1 . 2]" 1
202 1 25 GLU QB 1 27 THR H 1.800 . 6.000 4.972 4.673 5.255 . 0 0 "[ . 1 . 2]" 1
203 1 26 ASP HB3 1 27 THR H 1.800 . 5.000 3.583 3.455 3.688 . 0 0 "[ . 1 . 2]" 1
204 1 27 THR H 1 27 THR MG 1.800 . 6.500 2.658 1.823 3.550 . 0 0 "[ . 1 . 2]" 1
205 1 27 THR H 1 28 LEU HB3 1.800 . 5.000 4.453 4.239 4.831 . 0 0 "[ . 1 . 2]" 1
206 1 27 THR H 1 28 LEU H 1.800 . 2.800 2.732 2.526 2.834 0.034 8 0 "[ . 1 . 2]" 1
207 1 27 THR H 1 27 THR HA 1.800 . 2.800 2.849 2.826 2.876 0.076 6 0 "[ . 1 . 2]" 1
208 1 27 THR H 1 27 THR HB 1.800 . 3.800 3.210 1.930 3.518 . 0 0 "[ . 1 . 2]" 1
209 1 23 LEU QD 1 27 THR H 1.800 . 7.500 4.097 3.432 5.018 . 0 0 "[ . 1 . 2]" 1
210 1 26 ASP QB 1 27 THR HA 1.800 . 6.000 4.610 4.535 4.681 . 0 0 "[ . 1 . 2]" 1
211 1 27 THR HA 1 27 THR HB 1.800 . 2.800 2.689 2.458 2.957 0.157 5 0 "[ . 1 . 2]" 1
212 1 27 THR HA 1 27 THR MG 1.800 . 5.300 2.295 1.901 3.205 . 0 0 "[ . 1 . 2]" 1
213 1 27 THR HA 1 31 LEU QD 1.800 . 7.500 3.354 2.413 4.076 . 0 0 "[ . 1 . 2]" 1
214 1 27 THR HB 1 30 GLU QB 1.800 . 6.000 5.110 4.701 5.421 . 0 0 "[ . 1 . 2]" 1
215 1 26 ASP H 1 28 LEU H 1.800 . 5.000 4.017 3.523 4.386 . 0 0 "[ . 1 . 2]" 1
216 1 25 GLU HA 1 28 LEU H 1.800 . 5.000 3.852 3.611 4.098 . 0 0 "[ . 1 . 2]" 1
217 1 28 LEU H 1 28 LEU QB 1.800 . 2.800 2.002 1.879 2.123 . 0 0 "[ . 1 . 2]" 1
218 1 28 LEU H 1 28 LEU MD1 1.800 . 5.300 3.884 2.411 4.320 . 0 0 "[ . 1 . 2]" 1
219 1 28 LEU H 1 29 CYS H 1.800 . 3.800 2.668 2.549 2.797 . 0 0 "[ . 1 . 2]" 1
220 1 27 THR HA 1 28 LEU H 1.800 . 3.800 3.563 3.500 3.588 . 0 0 "[ . 1 . 2]" 1
221 1 28 LEU HA 1 28 LEU QD 1.800 . 6.300 2.676 1.857 3.265 . 0 0 "[ . 1 . 2]" 1
222 1 28 LEU HA 1 33 HIS HB2 1.800 . 5.000 2.942 2.410 3.442 . 0 0 "[ . 1 . 2]" 1
223 1 28 LEU HA 1 31 LEU HB3 1.800 . 5.000 3.961 3.311 4.683 . 0 0 "[ . 1 . 2]" 1
224 1 28 LEU HA 1 31 LEU HB2 1.800 . 5.000 2.372 1.869 2.944 . 0 0 "[ . 1 . 2]" 1
225 1 24 ILE QG 1 28 LEU HB3 1.800 . 4.800 4.079 3.368 4.408 . 0 0 "[ . 1 . 2]" 1
226 1 28 LEU HB3 1 28 LEU QD 1.800 . 6.300 2.073 1.861 2.286 . 0 0 "[ . 1 . 2]" 1
227 1 24 ILE MG 1 28 LEU HB3 1.800 . 6.500 4.765 4.273 5.555 . 0 0 "[ . 1 . 2]" 1
228 1 25 GLU QB 1 28 LEU HB3 1.800 . 6.000 4.804 4.274 5.427 . 0 0 "[ . 1 . 2]" 1
229 1 25 GLU HA 1 28 LEU HB3 1.800 . 5.000 2.866 2.412 3.490 . 0 0 "[ . 1 . 2]" 1
230 1 28 LEU HB3 1 32 GLY H 1.800 . 5.000 4.933 4.633 5.105 0.105 6 0 "[ . 1 . 2]" 1
231 1 28 LEU HB3 1 31 LEU QD 1.800 . 7.500 4.881 4.306 5.394 . 0 0 "[ . 1 . 2]" 1
232 1 27 THR MG 1 28 LEU H 1.800 . 6.500 3.648 1.811 4.200 . 0 0 "[ . 1 . 2]" 1
233 1 29 CYS H 1 31 LEU H 1.800 . 5.000 4.288 3.955 4.761 . 0 0 "[ . 1 . 2]" 1
234 1 26 ASP HA 1 29 CYS H 1.800 . 5.000 3.391 3.222 3.597 . 0 0 "[ . 1 . 2]" 1
235 1 28 LEU HA 1 29 CYS H 1.800 . 5.000 3.550 3.489 3.575 . 0 0 "[ . 1 . 2]" 1
236 1 29 CYS H 1 30 GLU QB 1.800 . 6.000 4.481 4.209 4.701 . 0 0 "[ . 1 . 2]" 1
237 1 28 LEU HB2 1 29 CYS H 1.800 . 5.000 4.057 3.682 4.346 . 0 0 "[ . 1 . 2]" 1
238 1 28 LEU QD 1 29 CYS H 1.800 . 7.500 2.545 1.816 3.428 . 0 0 "[ . 1 . 2]" 1
239 1 29 CYS H 1 29 CYS QB 1.800 . 3.800 2.044 1.924 2.211 . 0 0 "[ . 1 . 2]" 1
240 1 30 GLU H 1 31 LEU H 1.800 . 3.800 2.336 2.211 2.523 . 0 0 "[ . 1 . 2]" 1
241 1 28 LEU H 1 30 GLU H 1.800 . 5.000 4.165 4.039 4.346 . 0 0 "[ . 1 . 2]" 1
242 1 30 GLU H 1 30 GLU HA 1.800 . 2.800 2.949 2.928 2.957 0.157 14 0 "[ . 1 . 2]" 1
243 1 30 GLU H 1 30 GLU QB 1.800 . 3.800 2.143 2.003 2.265 . 0 0 "[ . 1 . 2]" 1
244 1 29 CYS QB 1 30 GLU H 1.800 . 4.800 2.771 2.614 3.082 . 0 0 "[ . 1 . 2]" 1
245 1 28 LEU HB3 1 30 GLU H 1.800 . 5.000 5.023 4.895 5.189 0.189 14 0 "[ . 1 . 2]" 1
246 1 27 THR HA 1 30 GLU H 1.800 . 5.000 3.690 3.319 3.944 . 0 0 "[ . 1 . 2]" 1
247 1 30 GLU QB 1 31 LEU H 1.800 . 4.800 2.626 2.111 3.089 . 0 0 "[ . 1 . 2]" 1
248 1 31 LEU H 1 31 LEU QD 1.800 . 6.300 2.598 1.775 3.172 0.025 15 0 "[ . 1 . 2]" 1
249 1 31 LEU H 1 32 GLY H 1.800 . 5.000 2.673 2.437 2.887 . 0 0 "[ . 1 . 2]" 1
250 1 31 LEU H 1 31 LEU HB2 1.800 . 2.800 2.275 2.068 2.460 . 0 0 "[ . 1 . 2]" 1
251 1 31 LEU HB2 1 31 LEU QD 1.800 . 7.500 2.007 1.875 2.176 . 0 0 "[ . 1 . 2]" 1
252 1 31 LEU QB 1 32 GLY H 1.800 . 6.000 2.226 2.106 2.391 . 0 0 "[ . 1 . 2]" 1
253 1 32 GLY H 1 33 HIS H 1.800 . 2.800 2.199 1.856 2.965 0.165 7 0 "[ . 1 . 2]" 1
254 1 29 CYS HA 1 32 GLY QA 1.800 . 6.000 4.623 4.228 4.875 . 0 0 "[ . 1 . 2]" 1
255 1 32 GLY QA 1 33 HIS HA 1.800 . 6.000 4.305 4.223 4.424 . 0 0 "[ . 1 . 2]" 1
256 1 28 LEU HA 1 33 HIS H 1.800 . 5.000 3.247 2.451 4.823 . 0 0 "[ . 1 . 2]" 1
257 1 32 GLY QA 1 33 HIS H 1.800 . 6.000 2.876 2.495 2.946 . 0 0 "[ . 1 . 2]" 1
258 1 33 HIS H 1 33 HIS HB3 1.800 . 3.800 3.584 3.484 3.930 0.130 15 0 "[ . 1 . 2]" 1
259 1 33 HIS H 1 33 HIS HD2 1.800 . 5.000 4.397 3.592 4.960 . 0 0 "[ . 1 . 2]" 1
260 1 33 HIS H 1 33 HIS HB2 1.800 . 3.800 2.382 2.144 3.075 . 0 0 "[ . 1 . 2]" 1
261 1 28 LEU HB2 1 33 HIS H 1.800 . 5.000 4.134 2.700 5.020 0.020 5 0 "[ . 1 . 2]" 1
262 1 31 LEU HB2 1 33 HIS H 1.800 . 5.000 2.946 2.515 3.654 . 0 0 "[ . 1 . 2]" 1
263 1 31 LEU HB3 1 33 HIS H 1.800 . 5.000 3.081 2.510 3.588 . 0 0 "[ . 1 . 2]" 1
264 1 33 HIS HA 1 33 HIS HD2 1.800 . 5.000 2.750 1.945 3.461 . 0 0 "[ . 1 . 2]" 1
265 1 8 ARG QD 1 33 HIS HA 1.800 . 6.000 4.273 2.972 5.294 . 0 0 "[ . 1 . 2]" 1
266 1 10 ARG HA 1 33 HIS HA 1.800 . 5.000 4.728 4.163 5.085 0.085 14 0 "[ . 1 . 2]" 1
267 1 28 LEU HA 1 33 HIS HB3 1.800 . 5.000 4.623 4.154 5.065 0.065 6 0 "[ . 1 . 2]" 1
268 1 9 LEU QB 1 33 HIS HB3 1.800 . 6.000 4.293 3.872 4.657 . 0 0 "[ . 1 . 2]" 1
269 1 28 LEU QD 1 33 HIS HB3 1.800 . 7.500 3.197 1.808 3.929 . 0 0 "[ . 1 . 2]" 1
270 1 28 LEU HB2 1 33 HIS HB3 1.800 . 5.000 3.714 2.939 4.673 . 0 0 "[ . 1 . 2]" 1
271 1 9 LEU QD 1 33 HIS HB3 1.800 . 7.500 5.346 4.698 5.643 . 0 0 "[ . 1 . 2]" 1
272 1 31 LEU QD 1 33 HIS HB2 1.800 . 6.300 4.146 3.552 4.666 . 0 0 "[ . 1 . 2]" 1
273 1 9 LEU QB 1 33 HIS HB2 1.800 . 6.000 5.069 4.403 5.366 . 0 0 "[ . 1 . 2]" 1
274 1 9 LEU QD 1 33 HIS HD2 1.800 . 7.500 3.230 2.384 3.877 . 0 0 "[ . 1 . 2]" 1
275 1 33 HIS HD2 1 34 GLU QB 1.800 . 6.000 5.144 4.894 5.438 . 0 0 "[ . 1 . 2]" 1
276 1 31 LEU QD 1 33 HIS HD2 1.800 . 7.500 5.014 4.473 5.444 . 0 0 "[ . 1 . 2]" 1
277 1 9 LEU QB 1 33 HIS HD2 1.800 . 6.000 1.933 1.760 2.234 0.040 11 0 "[ . 1 . 2]" 1
278 1 33 HIS HE1 1 115 VAL MG1 1.800 . 6.500 4.790 2.600 5.345 . 0 0 "[ . 1 . 2]" 1
279 1 33 HIS HE1 1 115 VAL MG2 1.800 . 6.500 4.763 3.803 5.326 . 0 0 "[ . 1 . 2]" 1
280 1 33 HIS H 1 34 GLU H 1.800 . 5.000 4.639 4.424 4.713 . 0 0 "[ . 1 . 2]" 1
281 1 33 HIS HA 1 34 GLU H 1.800 . 3.800 2.448 2.209 2.822 . 0 0 "[ . 1 . 2]" 1
282 1 33 HIS HB3 1 34 GLU H 1.800 . 5.000 2.698 1.854 3.747 . 0 0 "[ . 1 . 2]" 1
283 1 33 HIS HB2 1 34 GLU H 1.800 . 5.000 3.921 3.213 4.563 . 0 0 "[ . 1 . 2]" 1
284 1 34 GLU H 1 34 GLU QB 1.800 . 3.800 2.168 1.931 2.499 . 0 0 "[ . 1 . 2]" 1
285 1 11 VAL QG 1 34 GLU H 1.800 . 7.500 4.457 3.668 5.499 . 0 0 "[ . 1 . 2]" 1
286 1 35 VAL H 1 36 ALA H 1.800 . 5.000 4.230 3.496 4.704 . 0 0 "[ . 1 . 2]" 1
287 1 34 GLU QB 1 35 VAL H 1.800 . 4.800 2.954 1.834 4.008 . 0 0 "[ . 1 . 2]" 1
288 1 35 VAL H 1 35 VAL QG 1.800 . 5.300 2.369 1.845 3.307 . 0 0 "[ . 1 . 2]" 1
289 1 11 VAL QG 1 35 VAL H 1.800 . 7.500 5.062 3.583 5.675 . 0 0 "[ . 1 . 2]" 1
290 1 10 ARG HA 1 35 VAL H 1.800 . 5.000 4.513 2.895 5.171 0.171 3 0 "[ . 1 . 2]" 1
291 1 36 ALA H 1 36 ALA HA 1.800 . 2.800 2.950 2.855 2.976 0.176 19 0 "[ . 1 . 2]" 1
292 1 36 ALA H 1 36 ALA MB 1.800 . 4.300 2.321 2.027 2.660 . 0 0 "[ . 1 . 2]" 1
293 1 35 VAL QG 1 36 ALA H 1.800 . 6.300 2.783 1.979 3.717 . 0 0 "[ . 1 . 2]" 1
294 1 25 GLU HG2 1 36 ALA H 1.800 . 6.000 5.941 5.317 6.118 0.118 19 0 "[ . 1 . 2]" 1
295 1 12 LEU HA 1 37 ALA H 1.800 . 5.000 2.052 1.831 2.492 . 0 0 "[ . 1 . 2]" 1
296 1 36 ALA H 1 37 ALA H 1.800 . 5.000 3.643 2.391 4.584 . 0 0 "[ . 1 . 2]" 1
297 1 36 ALA HA 1 37 ALA H 1.800 . 3.800 3.221 2.475 3.604 . 0 0 "[ . 1 . 2]" 1
298 1 37 ALA H 1 37 ALA MB 1.800 . 4.300 2.386 2.275 2.459 . 0 0 "[ . 1 . 2]" 1
299 1 13 VAL QG 1 37 ALA H 1.800 . 7.500 3.207 2.710 3.668 . 0 0 "[ . 1 . 2]" 1
300 1 13 VAL HA 1 37 ALA H 1.800 . 5.000 5.077 4.956 5.163 0.163 14 0 "[ . 1 . 2]" 1
301 1 13 VAL HB 1 37 ALA MB 1.800 . 6.500 4.306 3.825 5.182 . 0 0 "[ . 1 . 2]" 1
302 1 13 VAL H 1 37 ALA MB 1.800 . 6.500 2.277 1.886 2.777 . 0 0 "[ . 1 . 2]" 1
303 1 36 ALA H 1 37 ALA MB 1.800 . 6.500 5.090 4.390 5.510 . 0 0 "[ . 1 . 2]" 1
304 1 37 ALA MB 1 48 ILE MG 1.800 . 8.000 3.239 2.641 3.772 . 0 0 "[ . 1 . 2]" 1
305 1 20 ILE MG 1 38 THR H 1.800 . 6.500 5.143 4.321 5.363 . 0 0 "[ . 1 . 2]" 1
306 1 38 THR H 1 38 THR MG 1.800 . 5.300 2.493 1.828 3.856 . 0 0 "[ . 1 . 2]" 1
307 1 37 ALA HA 1 38 THR H 1.800 . 3.800 2.272 2.204 2.348 . 0 0 "[ . 1 . 2]" 1
308 1 37 ALA MB 1 38 THR H 1.800 . 4.300 2.918 2.698 3.160 . 0 0 "[ . 1 . 2]" 1
309 1 24 ILE MG 1 38 THR H 1.800 . 6.500 4.860 4.307 5.271 . 0 0 "[ . 1 . 2]" 1
310 1 38 THR HA 1 38 THR MG 1.800 . 6.500 2.816 1.957 3.191 . 0 0 "[ . 1 . 2]" 1
311 1 13 VAL QG 1 38 THR HA 1.800 . 7.500 3.915 2.496 4.755 . 0 0 "[ . 1 . 2]" 1
312 1 14 VAL QG 1 38 THR HA 1.800 . 7.500 3.505 2.954 4.487 . 0 0 "[ . 1 . 2]" 1
313 1 13 VAL HB 1 38 THR HA 1.800 . 5.000 3.906 2.828 5.044 0.044 16 0 "[ . 1 . 2]" 1
314 1 21 ALA HA 1 38 THR HB 1.800 . 5.000 3.076 1.840 4.546 . 0 0 "[ . 1 . 2]" 1
315 1 38 THR HA 1 39 ALA H 1.800 . 5.000 2.273 2.163 2.429 . 0 0 "[ . 1 . 2]" 1
316 1 39 ALA H 1 40 SER H 1.800 . 5.000 4.570 4.386 4.698 . 0 0 "[ . 1 . 2]" 1
317 1 39 ALA H 1 39 ALA MB 1.800 . 4.300 2.902 2.739 3.123 . 0 0 "[ . 1 . 2]" 1
318 1 38 THR MG 1 39 ALA H 1.800 . 5.300 3.736 2.284 4.282 . 0 0 "[ . 1 . 2]" 1
319 1 14 VAL HB 1 39 ALA H 1.800 . 5.000 5.003 4.166 5.177 0.177 9 0 "[ . 1 . 2]" 1
320 1 14 VAL HA 1 39 ALA H 1.800 . 5.000 2.820 1.941 3.514 . 0 0 "[ . 1 . 2]" 1
321 1 38 THR H 1 39 ALA H 1.800 . 5.000 4.349 4.034 4.511 . 0 0 "[ . 1 . 2]" 1
322 1 20 ILE MG 1 39 ALA H 1.800 . 6.500 1.720 1.650 1.976 0.150 12 0 "[ . 1 . 2]" 1
323 1 13 VAL QG 1 39 ALA H 1.800 . 7.500 4.708 3.673 5.453 . 0 0 "[ . 1 . 2]" 1
324 1 38 THR HB 1 39 ALA H 1.800 . 5.000 3.816 2.877 4.475 . 0 0 "[ . 1 . 2]" 1
325 1 38 THR HA 1 39 ALA HA 1.800 . 5.000 4.554 4.464 4.620 . 0 0 "[ . 1 . 2]" 1
326 1 20 ILE MG 1 39 ALA MB 1.800 . 8.000 2.836 2.394 3.030 . 0 0 "[ . 1 . 2]" 1
327 1 39 ALA MB 1 40 SER H 1.800 . 4.300 2.482 2.233 2.703 . 0 0 "[ . 1 . 2]" 1
328 1 39 ALA HA 1 40 SER H 1.800 . 5.000 2.586 2.457 2.839 . 0 0 "[ . 1 . 2]" 1
329 1 40 SER H 1 41 ARG H 1.800 . 5.000 4.396 4.162 4.525 . 0 0 "[ . 1 . 2]" 1
330 1 17 GLU QB 1 40 SER H 1.800 . 6.000 5.013 3.914 5.533 . 0 0 "[ . 1 . 2]" 1
331 1 40 SER HA 1 41 ARG QD 1.800 . 6.000 5.352 5.158 5.568 . 0 0 "[ . 1 . 2]" 1
332 1 39 ALA HA 1 40 SER HA 1.800 . 5.000 4.420 4.334 4.509 . 0 0 "[ . 1 . 2]" 1
333 1 15 GLU QB 1 40 SER HB2 1.800 . 6.000 5.222 3.991 5.593 . 0 0 "[ . 1 . 2]" 1
334 1 40 SER HB2 1 41 ARG HA 1.800 . 5.000 4.855 4.552 4.965 . 0 0 "[ . 1 . 2]" 1
335 1 39 ALA MB 1 40 SER HB2 1.800 . 6.500 5.417 5.322 5.487 . 0 0 "[ . 1 . 2]" 1
336 1 15 GLU HA 1 40 SER HB2 1.800 . 5.000 3.733 3.056 4.318 . 0 0 "[ . 1 . 2]" 1
337 1 40 SER HB2 1 42 MET QG 1.800 . 6.000 5.355 5.043 5.509 . 0 0 "[ . 1 . 2]" 1
338 1 41 ARG H 1 41 ARG HA 1.800 . 2.800 2.967 2.950 2.976 0.176 13 0 "[ . 1 . 2]" 1
339 1 41 ARG H 1 41 ARG HB2 1.800 . 3.800 2.845 2.689 3.035 . 0 0 "[ . 1 . 2]" 1
340 1 41 ARG H 1 42 MET QG 1.800 . 6.000 4.990 4.775 5.164 . 0 0 "[ . 1 . 2]" 1
341 1 14 VAL HB 1 41 ARG H 1.800 . 5.000 3.204 2.367 5.032 0.032 19 0 "[ . 1 . 2]" 1
342 1 14 VAL QG 1 41 ARG H 1.800 . 7.500 2.615 2.212 2.862 . 0 0 "[ . 1 . 2]" 1
343 1 41 ARG HB3 1 41 ARG QD 1.800 . 3.800 3.276 3.121 3.321 . 0 0 "[ . 1 . 2]" 1
344 1 14 VAL QG 1 41 ARG HB3 1.800 . 5.300 3.653 3.427 3.912 . 0 0 "[ . 1 . 2]" 1
345 1 41 ARG HB3 1 44 GLU H 1.800 . 5.000 2.648 2.395 2.875 . 0 0 "[ . 1 . 2]" 1
346 1 41 ARG QG 1 42 MET H 1.800 . 6.000 2.814 2.288 3.313 . 0 0 "[ . 1 . 2]" 1
347 1 41 ARG H 1 42 MET H 1.800 . 5.000 4.288 4.074 4.457 . 0 0 "[ . 1 . 2]" 1
348 1 42 MET H 1 42 MET HA 1.800 . 2.800 2.868 2.762 2.922 0.122 13 0 "[ . 1 . 2]" 1
349 1 42 MET H 1 43 GLN H 1.800 . 5.000 2.623 2.359 2.995 . 0 0 "[ . 1 . 2]" 1
350 1 42 MET H 1 42 MET QB 1.800 . 3.800 2.384 2.229 2.520 . 0 0 "[ . 1 . 2]" 1
351 1 41 ARG HB2 1 42 MET H 1.800 . 5.000 4.438 4.307 4.561 . 0 0 "[ . 1 . 2]" 1
352 1 42 MET H 1 43 GLN HA 1.800 . 6.000 5.287 5.078 5.590 . 0 0 "[ . 1 . 2]" 1
353 1 42 MET QB 1 43 GLN HA 1.800 . 6.000 3.969 3.889 4.034 . 0 0 "[ . 1 . 2]" 1
354 1 43 GLN H 1 43 GLN QG 1.800 . 4.800 3.869 3.578 3.980 . 0 0 "[ . 1 . 2]" 1
355 1 43 GLN H 1 46 LEU QD 1.800 . 7.500 5.508 5.215 5.713 . 0 0 "[ . 1 . 2]" 1
356 1 42 MET QG 1 43 GLN H 1.800 . 6.000 3.967 3.689 4.165 . 0 0 "[ . 1 . 2]" 1
357 1 43 GLN H 1 44 GLU H 1.800 . 3.800 2.792 2.579 3.015 . 0 0 "[ . 1 . 2]" 1
358 1 43 GLN H 1 43 GLN HB3 1.800 . 3.800 2.624 2.293 3.113 . 0 0 "[ . 1 . 2]" 1
359 1 43 GLN H 1 43 GLN HB2 1.800 . 2.800 2.301 1.974 2.591 . 0 0 "[ . 1 . 2]" 1
360 1 41 ARG HB2 1 43 GLN H 1.800 . 5.000 4.981 4.804 5.068 0.068 4 0 "[ . 1 . 2]" 1
361 1 44 GLU H 1 46 LEU HB3 1.800 . 6.000 5.165 4.782 5.604 . 0 0 "[ . 1 . 2]" 1
362 1 44 GLU H 1 44 GLU HA 1.800 . 2.800 2.851 2.804 2.886 0.086 4 0 "[ . 1 . 2]" 1
363 1 44 GLU H 1 44 GLU QB 1.800 . 3.800 2.142 1.918 2.423 . 0 0 "[ . 1 . 2]" 1
364 1 44 GLU H 1 45 ALA H 1.800 . 2.800 2.750 2.577 2.813 0.013 15 0 "[ . 1 . 2]" 1
365 1 42 MET HA 1 44 GLU H 1.800 . 5.000 4.847 4.394 5.064 0.064 11 0 "[ . 1 . 2]" 1
366 1 44 GLU H 1 45 ALA MB 1.800 . 6.500 4.215 4.085 4.308 . 0 0 "[ . 1 . 2]" 1
367 1 43 GLN QG 1 44 GLU H 1.800 . 6.000 3.623 3.002 4.119 . 0 0 "[ . 1 . 2]" 1
368 1 44 GLU QB 1 44 GLU QG 1.800 . 4.800 2.060 1.992 2.107 . 0 0 "[ . 1 . 2]" 1
369 1 37 ALA MB 1 44 GLU QB 1.800 . 6.300 3.153 2.529 3.830 . 0 0 "[ . 1 . 2]" 1
370 1 41 ARG QG 1 44 GLU QB 1.800 . 5.800 3.091 2.613 3.416 . 0 0 "[ . 1 . 2]" 1
371 1 14 VAL QG 1 44 GLU QB 1.800 . 6.300 3.112 2.236 3.516 . 0 0 "[ . 1 . 2]" 1
372 1 44 GLU QB 1 48 ILE MG 1.800 . 7.500 3.440 2.775 3.892 . 0 0 "[ . 1 . 2]" 1
373 1 43 GLN QB 1 44 GLU QB 1.800 . 7.000 3.945 3.537 4.298 . 0 0 "[ . 1 . 2]" 1
374 1 41 ARG QD 1 44 GLU QB 1.800 . 7.000 4.564 4.168 4.904 . 0 0 "[ . 1 . 2]" 1
375 1 44 GLU HA 1 44 GLU QG 1.800 . 3.800 2.273 1.914 2.933 . 0 0 "[ . 1 . 2]" 1
376 1 44 GLU HA 1 45 ALA H 1.800 . 3.800 3.576 3.519 3.590 . 0 0 "[ . 1 . 2]" 1
377 1 44 GLU HB2 1 45 ALA H 1.800 . 2.800 2.620 2.358 2.854 0.054 19 0 "[ . 1 . 2]" 1
378 1 45 ALA H 1 46 LEU HB3 1.800 . 5.000 4.911 4.603 5.152 0.152 14 0 "[ . 1 . 2]" 1
379 1 45 ALA H 1 46 LEU QD 1.800 . 7.500 5.391 5.033 5.626 . 0 0 "[ . 1 . 2]" 1
380 1 44 GLU QG 1 45 ALA H 1.800 . 6.000 4.186 3.870 4.420 . 0 0 "[ . 1 . 2]" 1
381 1 45 ALA H 1 46 LEU H 1.800 . 3.800 2.843 2.511 3.100 . 0 0 "[ . 1 . 2]" 1
382 1 45 ALA H 1 45 ALA MB 1.800 . 4.300 2.083 1.936 2.176 . 0 0 "[ . 1 . 2]" 1
383 1 45 ALA HA 1 49 ALA MB 1.800 . 6.500 4.452 4.007 5.247 . 0 0 "[ . 1 . 2]" 1
384 1 45 ALA HA 1 48 ILE HB 1.800 . 5.000 4.766 4.275 5.077 0.077 8 0 "[ . 1 . 2]" 1
385 1 45 ALA HA 1 48 ILE QG 1.800 . 4.800 3.124 2.336 4.170 . 0 0 "[ . 1 . 2]" 1
386 1 45 ALA HA 1 59 ILE MD 1.800 . 6.500 3.657 2.677 4.595 . 0 0 "[ . 1 . 2]" 1
387 1 44 GLU QB 1 45 ALA HA 1.800 . 6.000 3.877 3.742 3.995 . 0 0 "[ . 1 . 2]" 1
388 1 45 ALA MB 1 48 ILE QG 1.800 . 7.500 3.966 3.271 5.020 . 0 0 "[ . 1 . 2]" 1
389 1 46 LEU H 1 47 ASP H 1.800 . 2.800 2.742 2.564 2.828 0.028 1 0 "[ . 1 . 2]" 1
390 1 46 LEU H 1 46 LEU HA 1.800 . 2.800 2.832 2.791 2.881 0.081 4 0 "[ . 1 . 2]" 1
391 1 46 LEU H 1 46 LEU HB2 1.800 . 2.800 2.365 2.000 2.802 0.002 20 0 "[ . 1 . 2]" 1
392 1 46 LEU H 1 46 LEU HB3 1.800 . 2.800 2.475 2.064 2.828 0.028 17 0 "[ . 1 . 2]" 1
393 1 46 LEU H 1 49 ALA H 1.800 . 5.000 4.671 4.454 5.020 0.020 5 0 "[ . 1 . 2]" 1
394 1 46 LEU H 1 46 LEU QD 1.800 . 5.300 3.492 3.239 3.666 . 0 0 "[ . 1 . 2]" 1
395 1 44 GLU HA 1 46 LEU H 1.800 . 5.000 4.302 3.923 4.704 . 0 0 "[ . 1 . 2]" 1
396 1 46 LEU HB3 1 46 LEU QD 1.800 . 4.300 2.076 1.893 2.454 . 0 0 "[ . 1 . 2]" 1
397 1 46 LEU HB3 1 50 ARG QD 1.800 . 6.000 4.951 4.085 5.432 . 0 0 "[ . 1 . 2]" 1
398 1 44 GLU HA 1 46 LEU HB3 1.800 . 5.000 4.705 4.287 5.001 0.001 1 0 "[ . 1 . 2]" 1
399 1 43 GLN HA 1 46 LEU HB3 1.800 . 3.800 3.277 2.835 3.599 . 0 0 "[ . 1 . 2]" 1
400 1 46 LEU QD 1 47 ASP H 1.800 . 6.300 3.066 2.074 3.807 . 0 0 "[ . 1 . 2]" 1
401 1 45 ALA HA 1 47 ASP H 1.800 . 5.000 4.375 3.889 4.765 . 0 0 "[ . 1 . 2]" 1
402 1 43 GLN QG 1 47 ASP H 1.800 . 6.000 4.887 4.241 5.313 . 0 0 "[ . 1 . 2]" 1
403 1 46 LEU HB3 1 47 ASP H 1.800 . 2.800 2.470 2.107 2.802 0.002 17 0 "[ . 1 . 2]" 1
404 1 46 LEU HB2 1 47 ASP H 1.800 . 3.800 3.720 3.275 3.937 0.137 5 0 "[ . 1 . 2]" 1
405 1 47 ASP H 1 48 ILE H 1.800 . 2.800 2.771 2.573 2.901 0.101 18 0 "[ . 1 . 2]" 1
406 1 44 GLU HA 1 47 ASP H 1.800 . 3.800 3.259 2.994 3.518 . 0 0 "[ . 1 . 2]" 1
407 1 44 GLU H 1 47 ASP H 1.800 . 5.000 4.894 4.727 5.049 0.049 17 0 "[ . 1 . 2]" 1
408 1 47 ASP H 1 47 ASP HA 1.800 . 2.800 2.838 2.787 2.897 0.097 13 0 "[ . 1 . 2]" 1
409 1 47 ASP H 1 47 ASP QB 1.800 . 3.800 2.033 1.914 2.204 . 0 0 "[ . 1 . 2]" 1
410 1 45 ALA MB 1 47 ASP H 1.800 . 6.500 4.439 4.187 4.788 . 0 0 "[ . 1 . 2]" 1
411 1 46 LEU HA 1 48 ILE H 1.800 . 5.000 4.350 3.682 5.010 0.010 18 0 "[ . 1 . 2]" 1
412 1 48 ILE H 1 48 ILE HA 1.800 . 2.800 2.918 2.847 2.974 0.174 16 0 "[ . 1 . 2]" 1
413 1 48 ILE H 1 48 ILE HB 1.800 . 3.800 3.526 3.148 3.631 . 0 0 "[ . 1 . 2]" 1
414 1 48 ILE H 1 48 ILE QG 1.800 . 4.800 3.016 2.258 4.000 . 0 0 "[ . 1 . 2]" 1
415 1 47 ASP HA 1 48 ILE H 1.800 . 5.000 3.547 3.481 3.598 . 0 0 "[ . 1 . 2]" 1
416 1 47 ASP QB 1 48 ILE H 1.800 . 3.800 2.649 2.192 3.093 . 0 0 "[ . 1 . 2]" 1
417 1 44 GLU HA 1 48 ILE H 1.800 . 5.000 4.547 3.911 4.887 . 0 0 "[ . 1 . 2]" 1
418 1 48 ILE HB 1 49 ALA H 1.800 . 5.000 4.383 4.085 4.529 . 0 0 "[ . 1 . 2]" 1
419 1 48 ILE MD 1 49 ALA H 1.800 . 6.500 3.742 2.119 4.572 . 0 0 "[ . 1 . 2]" 1
420 1 48 ILE H 1 49 ALA H 1.800 . 2.800 2.404 2.149 2.695 . 0 0 "[ . 1 . 2]" 1
421 1 49 ALA H 1 50 ARG H 1.800 . 2.800 2.493 2.275 2.837 0.037 15 0 "[ . 1 . 2]" 1
422 1 49 ALA H 1 49 ALA HA 1.800 . 2.800 2.919 2.827 2.951 0.151 11 0 "[ . 1 . 2]" 1
423 1 49 ALA H 1 49 ALA MB 1.800 . 4.300 2.097 1.936 2.198 . 0 0 "[ . 1 . 2]" 1
424 1 46 LEU QD 1 49 ALA H 1.800 . 6.300 4.287 3.518 4.672 . 0 0 "[ . 1 . 2]" 1
425 1 45 ALA HA 1 49 ALA H 1.800 . 5.000 4.416 3.978 4.933 . 0 0 "[ . 1 . 2]" 1
426 1 48 ILE QG 1 49 ALA HA 1.800 . 4.800 3.260 2.929 3.543 . 0 0 "[ . 1 . 2]" 1
427 1 49 ALA HA 1 50 ARG QD 1.800 . 4.800 4.068 3.743 4.418 . 0 0 "[ . 1 . 2]" 1
428 1 49 ALA HA 1 52 GLY QA 1.800 . 6.000 5.216 4.764 5.414 . 0 0 "[ . 1 . 2]" 1
429 1 46 LEU HA 1 49 ALA MB 1.800 . 6.500 2.182 1.841 2.580 . 0 0 "[ . 1 . 2]" 1
430 1 46 LEU HG 1 49 ALA MB 1.800 . 6.500 3.939 3.288 5.392 . 0 0 "[ . 1 . 2]" 1
431 1 48 ILE MD 1 49 ALA HA 1.800 . 6.500 4.283 2.650 4.948 . 0 0 "[ . 1 . 2]" 1
432 1 48 ILE HA 1 49 ALA HA 1.800 . 5.000 4.734 4.662 4.890 . 0 0 "[ . 1 . 2]" 1
433 1 48 ILE MG 1 49 ALA MB 1.800 . 7.500 4.296 3.604 4.667 . 0 0 "[ . 1 . 2]" 1
434 1 48 ILE MD 1 49 ALA MB 1.800 . 8.300 3.766 2.282 4.426 . 0 0 "[ . 1 . 2]" 1
435 1 49 ALA MB 1 50 ARG QD 1.800 . 7.500 2.148 1.831 2.873 . 0 0 "[ . 1 . 2]" 1
436 1 48 ILE H 1 50 ARG H 1.800 . 5.000 4.321 3.921 4.896 . 0 0 "[ . 1 . 2]" 1
437 1 47 ASP HA 1 50 ARG H 1.800 . 5.000 3.853 3.263 4.685 . 0 0 "[ . 1 . 2]" 1
438 1 46 LEU HA 1 50 ARG H 1.800 . 5.000 3.880 3.216 4.401 . 0 0 "[ . 1 . 2]" 1
439 1 50 ARG H 1 50 ARG QD 1.800 . 6.000 2.296 1.769 2.614 0.031 14 0 "[ . 1 . 2]" 1
440 1 50 ARG H 1 50 ARG HA 1.800 . 2.800 2.928 2.839 2.969 0.169 11 0 "[ . 1 . 2]" 1
441 1 50 ARG H 1 50 ARG QB 1.800 . 3.800 2.314 2.010 2.829 . 0 0 "[ . 1 . 2]" 1
442 1 50 ARG QB 1 50 ARG QD 1.800 . 5.800 2.470 2.082 2.944 . 0 0 "[ . 1 . 2]" 1
443 1 46 LEU HA 1 50 ARG QB 1.800 . 6.000 4.860 4.273 5.373 . 0 0 "[ . 1 . 2]" 1
444 1 46 LEU QD 1 50 ARG QB 1.800 . 6.300 3.212 2.532 3.929 . 0 0 "[ . 1 . 2]" 1
445 1 47 ASP HA 1 50 ARG QB 1.800 . 6.000 3.707 2.787 5.343 . 0 0 "[ . 1 . 2]" 1
446 1 50 ARG HA 1 50 ARG QD 1.800 . 6.000 2.532 1.881 3.580 . 0 0 "[ . 1 . 2]" 1
447 1 46 LEU HA 1 50 ARG QD 1.800 . 3.800 3.300 2.950 3.575 . 0 0 "[ . 1 . 2]" 1
448 1 46 LEU QD 1 51 LYS H 1.800 . 7.500 5.133 4.618 5.573 . 0 0 "[ . 1 . 2]" 1
449 1 48 ILE HA 1 51 LYS H 1.800 . 5.000 3.573 3.074 4.057 . 0 0 "[ . 1 . 2]" 1
450 1 51 LYS H 1 51 LYS HA 1.800 . 2.800 2.867 2.827 2.969 0.169 11 0 "[ . 1 . 2]" 1
451 1 51 LYS H 1 51 LYS QB 1.800 . 3.800 2.207 1.962 2.677 . 0 0 "[ . 1 . 2]" 1
452 1 51 LYS H 1 51 LYS QG 1.800 . 4.800 3.548 1.786 3.988 0.014 2 0 "[ . 1 . 2]" 1
453 1 51 LYS H 1 52 GLY H 1.800 . 5.000 2.746 2.404 2.899 . 0 0 "[ . 1 . 2]" 1
454 1 52 GLY H 1 53 GLN H 1.800 . 5.000 2.921 2.572 3.729 . 0 0 "[ . 1 . 2]" 1
455 1 52 GLY H 1 54 PHE H 1.800 . 5.000 4.011 3.466 5.016 0.016 1 0 "[ . 1 . 2]" 1
456 1 51 LYS HA 1 52 GLY H 1.800 . 5.000 3.584 3.557 3.596 . 0 0 "[ . 1 . 2]" 1
457 1 51 LYS QB 1 52 GLY H 1.800 . 3.800 2.363 2.151 3.096 . 0 0 "[ . 1 . 2]" 1
458 1 51 LYS QG 1 52 GLY H 1.800 . 6.000 3.260 1.797 4.232 0.003 2 0 "[ . 1 . 2]" 1
459 1 53 GLN H 1 54 PHE H 1.800 . 5.000 2.154 1.779 3.037 0.021 20 0 "[ . 1 . 2]" 1
460 1 52 GLY QA 1 53 GLN H 1.800 . 3.800 2.793 2.394 2.979 . 0 0 "[ . 1 . 2]" 1
461 1 53 GLN H 1 53 GLN QB 1.800 . 3.800 2.547 1.949 3.117 . 0 0 "[ . 1 . 2]" 1
462 1 53 GLN H 1 53 GLN QG 1.800 . 6.000 3.176 1.870 4.145 . 0 0 "[ . 1 . 2]" 1
463 1 51 LYS HA 1 53 GLN QG 1.800 . 6.000 4.583 3.143 5.434 . 0 0 "[ . 1 . 2]" 1
464 1 51 LYS QG 1 53 GLN QG 1.800 . 7.000 3.358 1.714 4.704 0.086 8 0 "[ . 1 . 2]" 1
465 1 52 GLY QA 1 54 PHE H 1.800 . 6.000 4.030 3.459 4.494 . 0 0 "[ . 1 . 2]" 1
466 1 53 GLN QB 1 54 PHE H 1.800 . 4.800 3.293 2.609 3.930 . 0 0 "[ . 1 . 2]" 1
467 1 53 GLN HA 1 54 PHE H 1.800 . 3.800 3.380 2.558 3.603 . 0 0 "[ . 1 . 2]" 1
468 1 54 PHE HA 1 54 PHE QD 1.800 . 5.000 3.661 3.489 3.717 . 0 0 "[ . 1 . 2]" 1
469 1 10 ARG HB2 1 54 PHE HA 1.800 . 5.000 3.630 2.575 4.719 . 0 0 "[ . 1 . 2]" 1
470 1 10 ARG HB3 1 54 PHE HA 1.800 . 5.000 4.292 2.542 5.064 0.064 2 0 "[ . 1 . 2]" 1
471 1 53 GLN HA 1 54 PHE HA 1.800 . 5.000 4.877 4.463 5.016 0.016 17 0 "[ . 1 . 2]" 1
472 1 53 GLN HG2 1 54 PHE HA 1.800 . 6.000 5.318 3.477 6.124 0.124 16 0 "[ . 1 . 2]" 1
473 1 48 ILE QG 1 54 PHE QD 1.800 . 6.000 4.172 3.441 4.852 . 0 0 "[ . 1 . 2]" 1
474 1 48 ILE MD 1 54 PHE QD 1.800 . 6.500 4.726 3.923 4.995 . 0 0 "[ . 1 . 2]" 1
475 1 51 LYS QG 1 54 PHE QD 1.800 . 6.000 2.612 1.841 3.476 . 0 0 "[ . 1 . 2]" 1
476 1 54 PHE QD 1 56 ILE HA 1.800 . 5.000 3.541 3.072 4.935 . 0 0 "[ . 1 . 2]" 1
477 1 12 LEU HG 1 54 PHE QD 1.800 . 5.000 3.859 2.009 4.953 . 0 0 "[ . 1 . 2]" 1
478 1 48 ILE HA 1 54 PHE QD 1.800 . 3.800 2.768 1.894 3.806 0.006 5 0 "[ . 1 . 2]" 1
479 1 48 ILE MG 1 54 PHE QD 1.800 . 6.500 4.241 3.334 5.001 . 0 0 "[ . 1 . 2]" 1
480 1 48 ILE MG 1 54 PHE QE 1.800 . 6.500 4.592 2.847 5.101 . 0 0 "[ . 1 . 2]" 1
481 1 48 ILE MD 1 54 PHE QE 1.800 . 6.500 4.113 2.787 4.729 . 0 0 "[ . 1 . 2]" 1
482 1 51 LYS QG 1 54 PHE QE 1.800 . 6.000 4.272 3.611 5.032 . 0 0 "[ . 1 . 2]" 1
483 1 51 LYS QB 1 54 PHE QE 1.800 . 6.000 3.608 2.639 5.007 . 0 0 "[ . 1 . 2]" 1
484 1 48 ILE HA 1 54 PHE QE 1.800 . 5.000 3.533 2.004 4.664 . 0 0 "[ . 1 . 2]" 1
485 1 48 ILE QG 1 54 PHE QE 1.800 . 6.000 3.287 1.994 3.801 . 0 0 "[ . 1 . 2]" 1
486 1 48 ILE QG 1 54 PHE HZ 1.800 . 4.800 3.605 3.169 3.929 . 0 0 "[ . 1 . 2]" 1
487 1 12 LEU QD 1 55 ASP H 1.800 . 7.500 3.958 2.711 5.202 . 0 0 "[ . 1 . 2]" 1
488 1 55 ASP H 1 55 ASP QB 1.800 . 3.800 2.383 1.914 3.391 . 0 0 "[ . 1 . 2]" 1
489 1 55 ASP H 1 56 ILE H 1.800 . 3.800 2.917 2.235 3.857 0.057 20 0 "[ . 1 . 2]" 1
490 1 54 PHE H 1 55 ASP H 1.800 . 5.000 4.150 2.190 4.729 . 0 0 "[ . 1 . 2]" 1
491 1 54 PHE HA 1 55 ASP H 1.800 . 3.800 2.642 2.232 3.220 . 0 0 "[ . 1 . 2]" 1
492 1 9 LEU QD 1 55 ASP H 1.800 . 7.500 4.865 3.983 5.461 . 0 0 "[ . 1 . 2]" 1
493 1 55 ASP HA 1 56 ILE HA 1.800 . 5.000 4.562 4.494 4.650 . 0 0 "[ . 1 . 2]" 1
494 1 54 PHE QD 1 56 ILE H 1.800 . 5.000 2.461 1.848 3.818 . 0 0 "[ . 1 . 2]" 1
495 1 11 VAL HA 1 56 ILE H 1.800 . 5.000 3.023 2.402 3.693 . 0 0 "[ . 1 . 2]" 1
496 1 55 ASP QB 1 56 ILE H 1.800 . 4.800 2.467 2.033 3.755 . 0 0 "[ . 1 . 2]" 1
497 1 56 ILE H 1 56 ILE QG 1.800 . 6.000 3.061 2.794 3.291 . 0 0 "[ . 1 . 2]" 1
498 1 56 ILE H 1 56 ILE MG 1.800 . 6.500 3.829 3.770 3.922 . 0 0 "[ . 1 . 2]" 1
499 1 56 ILE H 1 57 ALA MB 1.800 . 6.500 4.743 4.582 4.958 . 0 0 "[ . 1 . 2]" 1
500 1 54 PHE HA 1 56 ILE H 1.800 . 5.000 4.690 4.174 5.228 0.228 2 0 "[ . 1 . 2]" 1
501 1 56 ILE HA 1 57 ALA H 1.800 . 3.800 2.443 2.285 2.560 . 0 0 "[ . 1 . 2]" 1
502 1 56 ILE HA 1 57 ALA MB 1.800 . 6.500 3.636 3.563 3.729 . 0 0 "[ . 1 . 2]" 1
503 1 56 ILE HA 1 82 PHE HA 1.800 . 5.000 2.114 1.840 2.507 . 0 0 "[ . 1 . 2]" 1
504 1 56 ILE HB 1 57 ALA H 1.800 . 5.000 3.796 3.529 4.020 . 0 0 "[ . 1 . 2]" 1
505 1 11 VAL HA 1 56 ILE HB 1.800 . 5.000 2.313 1.886 2.817 . 0 0 "[ . 1 . 2]" 1
506 1 11 VAL HB 1 56 ILE HB 1.800 . 5.000 4.017 2.696 5.028 0.028 2 0 "[ . 1 . 2]" 1
507 1 56 ILE HB 1 56 ILE MD 1.800 . 5.300 2.713 2.522 3.154 . 0 0 "[ . 1 . 2]" 1
508 1 55 ASP QB 1 56 ILE QG 1.800 . 7.000 2.598 1.986 3.733 . 0 0 "[ . 1 . 2]" 1
509 1 55 ASP H 1 56 ILE QG 1.800 . 6.000 4.772 4.203 5.201 . 0 0 "[ . 1 . 2]" 1
510 1 56 ILE QG 1 82 PHE H 1.800 . 6.000 4.822 4.437 5.520 . 0 0 "[ . 1 . 2]" 1
511 1 56 ILE QG 1 83 ILE H 1.800 . 6.000 4.197 3.780 4.823 . 0 0 "[ . 1 . 2]" 1
512 1 56 ILE QG 1 82 PHE HA 1.800 . 6.000 2.867 2.278 3.678 . 0 0 "[ . 1 . 2]" 1
513 1 56 ILE H 1 57 ALA H 1.800 . 5.000 4.514 4.471 4.552 . 0 0 "[ . 1 . 2]" 1
514 1 57 ALA H 1 82 PHE HB3 1.800 . 5.000 4.456 3.782 5.068 0.068 20 0 "[ . 1 . 2]" 1
515 1 57 ALA H 1 82 PHE HB2 1.800 . 5.000 2.748 2.075 3.409 . 0 0 "[ . 1 . 2]" 1
516 1 57 ALA H 1 58 ILE QG 1.800 . 6.000 4.204 3.888 4.649 . 0 0 "[ . 1 . 2]" 1
517 1 57 ALA H 1 57 ALA MB 1.800 . 4.300 2.440 2.295 2.590 . 0 0 "[ . 1 . 2]" 1
518 1 56 ILE MG 1 57 ALA H 1.800 . 5.300 1.788 1.722 1.887 0.078 8 0 "[ . 1 . 2]" 1
519 1 57 ALA H 1 82 PHE HA 1.800 . 3.800 3.759 3.539 3.919 0.119 13 0 "[ . 1 . 2]" 1
520 1 57 ALA H 1 58 ILE H 1.800 . 5.000 4.035 3.823 4.486 . 0 0 "[ . 1 . 2]" 1
521 1 12 LEU MD1 1 57 ALA HA 1.800 . 6.500 4.245 2.799 5.423 . 0 0 "[ . 1 . 2]" 1
522 1 56 ILE MG 1 57 ALA HA 1.800 . 6.500 3.473 3.287 3.697 . 0 0 "[ . 1 . 2]" 1
523 1 57 ALA HA 1 58 ILE MD 1.800 . 6.500 3.242 2.836 3.698 . 0 0 "[ . 1 . 2]" 1
524 1 13 VAL MG2 1 57 ALA HA 1.800 . 6.500 4.730 3.693 5.574 . 0 0 "[ . 1 . 2]" 1
525 1 13 VAL MG1 1 57 ALA HA 1.800 . 6.500 5.069 3.527 5.431 . 0 0 "[ . 1 . 2]" 1
526 1 12 LEU MD2 1 57 ALA HA 1.800 . 6.500 4.660 3.676 5.479 . 0 0 "[ . 1 . 2]" 1
527 1 48 ILE MD 1 57 ALA HA 1.800 . 6.500 3.287 2.416 5.044 . 0 0 "[ . 1 . 2]" 1
528 1 48 ILE QG 1 57 ALA HA 1.800 . 4.800 4.008 3.171 4.265 . 0 0 "[ . 1 . 2]" 1
529 1 48 ILE QG 1 57 ALA MB 1.800 . 5.300 2.362 1.878 2.735 . 0 0 "[ . 1 . 2]" 1
530 1 57 ALA MB 1 58 ILE H 1.800 . 4.300 3.425 2.609 3.601 . 0 0 "[ . 1 . 2]" 1
531 1 57 ALA MB 1 83 ILE HA 1.800 . 6.500 5.422 5.312 5.513 . 0 0 "[ . 1 . 2]" 1
532 1 49 ALA HA 1 57 ALA MB 1.800 . 6.500 5.096 4.469 5.510 . 0 0 "[ . 1 . 2]" 1
533 1 57 ALA HA 1 58 ILE H 1.800 . 3.800 2.334 2.255 2.432 . 0 0 "[ . 1 . 2]" 1
534 1 58 ILE H 1 58 ILE MD 1.800 . 4.300 2.258 1.875 2.989 . 0 0 "[ . 1 . 2]" 1
535 1 58 ILE H 1 59 ILE HA 1.800 . 5.000 5.092 4.692 5.196 0.196 20 0 "[ . 1 . 2]" 1
536 1 58 ILE HA 1 58 ILE MG 1.800 . 5.300 2.477 2.396 2.556 . 0 0 "[ . 1 . 2]" 1
537 1 58 ILE HA 1 59 ILE MD 1.800 . 6.500 3.970 2.556 4.875 . 0 0 "[ . 1 . 2]" 1
538 1 58 ILE HA 1 59 ILE H 1.800 . 3.800 2.166 2.087 2.225 . 0 0 "[ . 1 . 2]" 1
539 1 58 ILE QG 1 84 PHE QD 1.800 . 6.000 4.518 3.421 4.929 . 0 0 "[ . 1 . 2]" 1
540 1 58 ILE QG 1 58 ILE MG 1.800 . 5.300 2.013 1.885 2.102 . 0 0 "[ . 1 . 2]" 1
541 1 58 ILE MD 1 58 ILE QG 1.800 . 6.300 1.902 1.878 1.917 . 0 0 "[ . 1 . 2]" 1
542 1 57 ALA HA 1 58 ILE QG 1.800 . 6.000 4.836 4.544 5.044 . 0 0 "[ . 1 . 2]" 1
543 1 58 ILE QG 1 59 ILE H 1.800 . 6.000 3.982 3.837 4.161 . 0 0 "[ . 1 . 2]" 1
544 1 20 ILE MD 1 58 ILE QG 1.800 . 7.500 4.514 4.122 4.828 . 0 0 "[ . 1 . 2]" 1
545 1 59 ILE H 1 59 ILE MD 1.800 . 6.500 3.452 2.110 4.341 . 0 0 "[ . 1 . 2]" 1
546 1 59 ILE H 1 84 PHE HA 1.800 . 5.000 3.387 3.090 3.660 . 0 0 "[ . 1 . 2]" 1
547 1 59 ILE H 1 84 PHE QD 1.800 . 5.000 3.075 1.970 3.612 . 0 0 "[ . 1 . 2]" 1
548 1 58 ILE MD 1 59 ILE H 1.800 . 6.500 4.885 4.619 5.031 . 0 0 "[ . 1 . 2]" 1
549 1 58 ILE HB 1 59 ILE H 1.800 . 5.000 4.330 4.150 4.482 . 0 0 "[ . 1 . 2]" 1
550 1 59 ILE H 1 59 ILE QG 1.800 . 4.800 2.995 2.117 3.564 . 0 0 "[ . 1 . 2]" 1
551 1 20 ILE MD 1 59 ILE H 1.800 . 6.500 5.536 5.432 5.660 . 0 0 "[ . 1 . 2]" 1
552 1 59 ILE HA 1 59 ILE QG 1.800 . 6.000 2.494 2.169 3.293 . 0 0 "[ . 1 . 2]" 1
553 1 59 ILE HA 1 60 ASP HA 1.800 . 5.000 4.739 4.677 4.823 . 0 0 "[ . 1 . 2]" 1
554 1 59 ILE HA 1 59 ILE MD 1.800 . 6.500 3.588 2.357 3.900 . 0 0 "[ . 1 . 2]" 1
555 1 59 ILE HA 1 84 PHE QE 1.800 . 5.000 4.284 3.299 4.710 . 0 0 "[ . 1 . 2]" 1
556 1 59 ILE HA 1 84 PHE HZ 1.800 . 5.000 4.944 4.755 5.114 0.114 1 0 "[ . 1 . 2]" 1
557 1 59 ILE HA 1 60 ASP H 1.800 . 3.800 2.480 2.347 2.638 . 0 0 "[ . 1 . 2]" 1
558 1 20 ILE MD 1 59 ILE HA 1.800 . 6.500 4.471 4.275 4.805 . 0 0 "[ . 1 . 2]" 1
559 1 14 VAL HB 1 59 ILE HA 1.800 . 5.000 3.958 2.800 4.760 . 0 0 "[ . 1 . 2]" 1
560 1 14 VAL H 1 59 ILE HA 1.800 . 5.000 3.316 3.157 3.494 . 0 0 "[ . 1 . 2]" 1
561 1 40 SER HB2 1 59 ILE HA 1.800 . 5.000 5.100 5.037 5.156 0.156 14 0 "[ . 1 . 2]" 1
562 1 40 SER HB3 1 59 ILE HA 1.800 . 5.000 5.067 4.482 5.143 0.143 8 0 "[ . 1 . 2]" 1
563 1 58 ILE MG 1 59 ILE HB 1.800 . 6.500 4.901 4.614 5.226 . 0 0 "[ . 1 . 2]" 1
564 1 59 ILE HB 1 72 ALA H 1.800 . 5.000 4.834 4.531 5.052 0.052 17 0 "[ . 1 . 2]" 1
565 1 59 ILE HB 1 72 ALA HA 1.800 . 5.000 3.798 3.282 4.205 . 0 0 "[ . 1 . 2]" 1
566 1 59 ILE HB 1 75 LEU QD 1.800 . 7.400 4.244 3.671 5.004 . 0 0 "[ . 1 . 2]" 1
567 1 59 ILE HB 1 84 PHE HZ 1.800 . 5.000 2.908 2.438 3.613 . 0 0 "[ . 1 . 2]" 1
568 1 60 ASP H 1 60 ASP QB 1.800 . 3.800 2.107 1.950 2.432 . 0 0 "[ . 1 . 2]" 1
569 1 60 ASP H 1 86 THR HB 1.800 . 6.000 5.980 5.539 6.209 0.209 1 0 "[ . 1 . 2]" 1
570 1 59 ILE MD 1 60 ASP H 1.800 . 6.300 3.667 3.427 3.847 . 0 0 "[ . 1 . 2]" 1
571 1 59 ILE HB 1 60 ASP H 1.800 . 5.000 4.428 4.259 4.533 . 0 0 "[ . 1 . 2]" 1
572 1 58 ILE HA 1 60 ASP H 1.800 . 5.000 4.892 4.407 5.115 0.115 16 0 "[ . 1 . 2]" 1
573 1 15 GLU QB 1 60 ASP H 1.800 . 6.000 2.832 1.802 4.267 . 0 0 "[ . 1 . 2]" 1
574 1 15 GLU HA 1 60 ASP H 1.800 . 5.000 3.385 2.572 4.980 . 0 0 "[ . 1 . 2]" 1
575 1 60 ASP HA 1 84 PHE QE 1.800 . 5.000 3.531 2.844 4.006 . 0 0 "[ . 1 . 2]" 1
576 1 60 ASP HA 1 62 ASN QB 1.800 . 6.000 5.152 4.945 5.385 . 0 0 "[ . 1 . 2]" 1
577 1 60 ASP HA 1 85 ALA MB 1.800 . 6.500 3.856 3.620 4.223 . 0 0 "[ . 1 . 2]" 1
578 1 60 ASP QB 1 61 VAL HA 1.800 . 6.000 4.422 4.099 5.014 . 0 0 "[ . 1 . 2]" 1
579 1 60 ASP QB 1 64 ASP QB 1.800 . 7.000 4.945 3.832 5.696 . 0 0 "[ . 1 . 2]" 1
580 1 60 ASP QB 1 84 PHE HZ 1.800 . 6.000 5.484 5.198 5.579 . 0 0 "[ . 1 . 2]" 1
581 1 15 GLU QB 1 60 ASP QB 1.800 . 7.000 2.405 1.681 3.600 0.119 2 0 "[ . 1 . 2]" 1
582 1 61 VAL H 1 86 THR HA 1.800 . 5.000 2.212 1.886 2.529 . 0 0 "[ . 1 . 2]" 1
583 1 60 ASP QB 1 61 VAL H 1.800 . 4.800 3.384 2.978 3.829 . 0 0 "[ . 1 . 2]" 1
584 1 61 VAL H 1 85 ALA MB 1.800 . 6.500 5.319 5.070 5.453 . 0 0 "[ . 1 . 2]" 1
585 1 61 VAL HA 1 61 VAL HB 1.800 . 2.800 2.626 2.445 2.865 0.065 11 0 "[ . 1 . 2]" 1
586 1 61 VAL HA 1 61 VAL MG1 1.800 . 4.300 3.135 2.950 3.193 . 0 0 "[ . 1 . 2]" 1
587 1 61 VAL HB 1 62 ASN QB 1.800 . 6.000 4.926 4.366 5.191 . 0 0 "[ . 1 . 2]" 1
588 1 60 ASP HA 1 61 VAL HB 1.800 . 5.000 4.206 3.934 4.661 . 0 0 "[ . 1 . 2]" 1
589 1 61 VAL QG 1 62 ASN H 1.800 . 5.300 3.123 2.625 3.501 . 0 0 "[ . 1 . 2]" 1
590 1 62 ASN H 1 87 GLY QA 1.800 . 6.000 4.432 3.779 5.176 . 0 0 "[ . 1 . 2]" 1
591 1 62 ASN HA 1 66 GLU QB 1.800 . 4.800 2.755 1.781 4.090 0.019 8 0 "[ . 1 . 2]" 1
592 1 62 ASN HA 1 63 LEU QB 1.800 . 6.000 4.870 4.492 5.108 . 0 0 "[ . 1 . 2]" 1
593 1 61 VAL H 1 62 ASN QB 1.800 . 6.000 3.655 3.320 4.050 . 0 0 "[ . 1 . 2]" 1
594 1 60 ASP QB 1 62 ASN QB 1.800 . 7.000 4.729 4.260 5.272 . 0 0 "[ . 1 . 2]" 1
595 1 62 ASN H 1 63 LEU H 1.800 . 5.000 1.939 1.782 2.849 0.018 17 0 "[ . 1 . 2]" 1
596 1 63 LEU H 1 66 GLU H 1.800 . 3.800 3.256 2.688 3.858 0.058 6 0 "[ . 1 . 2]" 1
597 1 62 ASN HA 1 63 LEU H 1.800 . 3.800 3.193 2.625 3.575 . 0 0 "[ . 1 . 2]" 1
598 1 62 ASN QB 1 63 LEU H 1.800 . 4.800 3.417 2.188 3.916 . 0 0 "[ . 1 . 2]" 1
599 1 63 LEU H 1 66 GLU HA 1.800 . 5.000 3.353 2.265 4.893 . 0 0 "[ . 1 . 2]" 1
600 1 63 LEU H 1 63 LEU QB 1.800 . 4.800 2.290 2.120 2.562 . 0 0 "[ . 1 . 2]" 1
601 1 63 LEU H 1 63 LEU QD 1.800 . 7.500 3.476 3.198 3.692 . 0 0 "[ . 1 . 2]" 1
602 1 63 LEU H 1 65 GLY QA 1.800 . 6.000 5.197 4.297 5.445 . 0 0 "[ . 1 . 2]" 1
603 1 63 LEU H 1 66 GLU QB 1.800 . 6.000 4.535 2.527 5.379 . 0 0 "[ . 1 . 2]" 1
604 1 64 ASP H 1 65 GLY H 1.800 . 3.800 2.876 2.594 3.543 . 0 0 "[ . 1 . 2]" 1
605 1 63 LEU HA 1 64 ASP H 1.800 . 3.800 2.212 2.169 2.335 . 0 0 "[ . 1 . 2]" 1
606 1 64 ASP H 1 64 ASP HA 1.800 . 2.800 2.363 2.343 2.373 . 0 0 "[ . 1 . 2]" 1
607 1 63 LEU QD 1 64 ASP H 1.800 . 7.500 3.377 2.337 3.988 . 0 0 "[ . 1 . 2]" 1
608 1 16 ASP QB 1 64 ASP H 1.800 . 6.000 5.139 4.138 5.476 . 0 0 "[ . 1 . 2]" 1
609 1 64 ASP HA 1 65 GLY QA 1.800 . 6.000 4.201 4.116 4.468 . 0 0 "[ . 1 . 2]" 1
610 1 63 LEU HA 1 64 ASP HA 1.800 . 5.000 4.495 4.459 4.564 . 0 0 "[ . 1 . 2]" 1
611 1 63 LEU HG 1 64 ASP HA 1.800 . 5.000 4.743 4.120 5.043 0.043 9 0 "[ . 1 . 2]" 1
612 1 63 LEU QD 1 64 ASP HA 1.800 . 7.500 4.807 3.571 5.203 . 0 0 "[ . 1 . 2]" 1
613 1 64 ASP QB 1 67 PRO QB 1.800 . 7.000 3.188 1.813 4.822 . 0 0 "[ . 1 . 2]" 1
614 1 65 GLY H 1 66 GLU H 1.800 . 3.800 2.207 1.802 3.102 . 0 0 "[ . 1 . 2]" 1
615 1 62 ASN QB 1 65 GLY H 1.800 . 6.000 5.440 5.076 5.607 . 0 0 "[ . 1 . 2]" 1
616 1 63 LEU H 1 65 GLY H 1.800 . 5.000 3.708 3.373 4.436 . 0 0 "[ . 1 . 2]" 1
617 1 66 GLU H 1 66 GLU QG 1.800 . 4.800 3.265 1.755 4.283 0.045 19 0 "[ . 1 . 2]" 1
618 1 66 GLU H 1 66 GLU QB 1.800 . 3.800 2.976 2.098 3.489 . 0 0 "[ . 1 . 2]" 1
619 1 66 GLU H 1 68 SER H 1.800 . 5.000 5.020 4.772 5.117 0.117 9 0 "[ . 1 . 2]" 1
620 1 64 ASP H 1 66 GLU H 1.800 . 5.000 4.477 3.194 5.034 0.034 6 0 "[ . 1 . 2]" 1
621 1 66 GLU H 1 66 GLU HA 1.800 . 2.800 2.435 2.338 2.680 . 0 0 "[ . 1 . 2]" 1
622 1 63 LEU QB 1 66 GLU H 1.800 . 6.000 4.673 4.280 5.118 . 0 0 "[ . 1 . 2]" 1
623 1 65 GLY QA 1 66 GLU H 1.800 . 6.000 2.757 2.472 2.957 . 0 0 "[ . 1 . 2]" 1
624 1 63 LEU QD 1 66 GLU H 1.800 . 7.500 5.263 4.408 5.681 . 0 0 "[ . 1 . 2]" 1
625 1 66 GLU HA 1 67 PRO QB 1.800 . 6.000 5.083 4.526 5.558 . 0 0 "[ . 1 . 2]" 1
626 1 66 GLU HA 1 67 PRO QD 1.800 . 3.800 2.557 1.801 3.424 . 0 0 "[ . 1 . 2]" 1
627 1 66 GLU HA 1 66 GLU QG 1.800 . 6.000 2.812 1.930 3.444 . 0 0 "[ . 1 . 2]" 1
628 1 65 GLY QA 1 66 GLU HA 1.800 . 5.000 4.509 4.342 4.609 . 0 0 "[ . 1 . 2]" 1
629 1 67 PRO QB 1 69 TYR QE 1.800 . 6.000 3.566 2.940 4.021 . 0 0 "[ . 1 . 2]" 1
630 1 68 SER H 1 69 TYR H 1.800 . 3.800 2.705 1.938 3.138 . 0 0 "[ . 1 . 2]" 1
631 1 66 GLU HA 1 68 SER H 1.800 . 5.000 3.622 2.955 5.059 0.059 16 0 "[ . 1 . 2]" 1
632 1 67 PRO HA 1 68 SER H 1.800 . 3.800 3.128 2.678 3.597 . 0 0 "[ . 1 . 2]" 1
633 1 67 PRO QD 1 68 SER H 1.800 . 4.800 3.217 2.806 4.095 . 0 0 "[ . 1 . 2]" 1
634 1 67 PRO QB 1 68 SER H 1.800 . 4.800 3.601 2.090 4.029 . 0 0 "[ . 1 . 2]" 1
635 1 67 PRO QB 1 69 TYR H 1.800 . 6.000 4.006 2.505 4.891 . 0 0 "[ . 1 . 2]" 1
636 1 69 TYR H 1 69 TYR HA 1.800 . 2.800 2.344 2.333 2.355 . 0 0 "[ . 1 . 2]" 1
637 1 69 TYR H 1 69 TYR QB 1.800 . 3.800 3.310 3.227 3.379 . 0 0 "[ . 1 . 2]" 1
638 1 69 TYR H 1 69 TYR QD 1.800 . 5.000 2.886 2.219 3.310 . 0 0 "[ . 1 . 2]" 1
639 1 69 TYR H 1 69 TYR QE 1.800 . 5.000 4.261 4.030 4.527 . 0 0 "[ . 1 . 2]" 1
640 1 67 PRO HA 1 69 TYR H 1.800 . 5.000 3.234 3.067 3.636 . 0 0 "[ . 1 . 2]" 1
641 1 69 TYR H 1 70 PRO QD 1.800 . 6.000 4.208 4.106 4.286 . 0 0 "[ . 1 . 2]" 1
642 1 69 TYR QD 1 71 VAL MG1 1.800 . 6.500 3.167 1.795 4.311 0.005 17 0 "[ . 1 . 2]" 1
643 1 68 SER HA 1 69 TYR QD 1.800 . 5.000 3.701 3.521 3.853 . 0 0 "[ . 1 . 2]" 1
644 1 69 TYR QE 1 71 VAL MG2 1.800 . 6.500 3.267 2.261 4.294 . 0 0 "[ . 1 . 2]" 1
645 1 48 ILE MD 1 69 TYR QE 1.800 . 6.500 3.898 3.459 4.280 . 0 0 "[ . 1 . 2]" 1
646 1 59 ILE MD 1 69 TYR QE 1.800 . 6.500 2.807 1.830 3.870 . 0 0 "[ . 1 . 2]" 1
647 1 70 PRO HA 1 73 ASP QB 1.800 . 6.000 2.331 1.915 2.716 . 0 0 "[ . 1 . 2]" 1
648 1 71 VAL H 1 72 ALA H 1.800 . 5.000 2.706 2.455 2.924 . 0 0 "[ . 1 . 2]" 1
649 1 69 TYR H 1 71 VAL H 1.800 . 5.000 5.071 4.933 5.150 0.150 3 0 "[ . 1 . 2]" 1
650 1 71 VAL H 1 71 VAL MG2 1.800 . 4.300 2.193 1.702 3.079 0.098 20 0 "[ . 1 . 2]" 1
651 1 71 VAL H 1 71 VAL MG1 1.800 . 6.500 2.663 1.797 3.747 0.003 8 0 "[ . 1 . 2]" 1
652 1 71 VAL H 1 71 VAL HA 1.800 . 2.800 2.929 2.901 2.946 0.146 2 0 "[ . 1 . 2]" 1
653 1 71 VAL H 1 71 VAL HB 1.800 . 3.800 3.356 2.464 3.671 . 0 0 "[ . 1 . 2]" 1
654 1 70 PRO HA 1 71 VAL H 1.800 . 5.000 3.361 3.280 3.390 . 0 0 "[ . 1 . 2]" 1
655 1 70 PRO QB 1 71 VAL H 1.800 . 6.000 3.714 3.637 3.844 . 0 0 "[ . 1 . 2]" 1
656 1 70 PRO QD 1 71 VAL H 1.800 . 6.000 2.879 2.766 3.058 . 0 0 "[ . 1 . 2]" 1
657 1 71 VAL HA 1 74 ILE MG 1.800 . 6.500 3.620 3.242 3.913 . 0 0 "[ . 1 . 2]" 1
658 1 71 VAL HB 1 74 ILE MD 1.800 . 6.500 4.686 3.697 5.449 . 0 0 "[ . 1 . 2]" 1
659 1 71 VAL HB 1 75 LEU QD 1.800 . 7.500 3.888 2.781 5.032 . 0 0 "[ . 1 . 2]" 1
660 1 71 VAL MG2 1 72 ALA HA 1.800 . 6.500 3.892 2.854 5.488 . 0 0 "[ . 1 . 2]" 1
661 1 71 VAL MG2 1 75 LEU QD 1.800 . 7.800 3.719 2.249 4.828 . 0 0 "[ . 1 . 2]" 1
662 1 42 MET HA 1 71 VAL MG2 1.800 . 6.500 4.938 4.024 5.403 . 0 0 "[ . 1 . 2]" 1
663 1 71 VAL MG2 1 72 ALA H 1.800 . 4.300 2.182 1.705 3.643 0.095 6 0 "[ . 1 . 2]" 1
664 1 72 ALA H 1 72 ALA MB 1.800 . 4.300 2.044 1.915 2.153 . 0 0 "[ . 1 . 2]" 1
665 1 69 TYR QE 1 72 ALA H 1.800 . 5.000 3.701 3.107 4.190 . 0 0 "[ . 1 . 2]" 1
666 1 71 VAL HB 1 72 ALA H 1.800 . 5.000 3.141 1.928 4.016 . 0 0 "[ . 1 . 2]" 1
667 1 71 VAL HA 1 72 ALA H 1.800 . 3.800 3.623 3.586 3.662 . 0 0 "[ . 1 . 2]" 1
668 1 59 ILE MD 1 72 ALA H 1.800 . 6.500 3.987 2.754 5.343 . 0 0 "[ . 1 . 2]" 1
669 1 69 TYR QD 1 72 ALA H 1.800 . 5.000 2.270 1.991 3.297 . 0 0 "[ . 1 . 2]" 1
670 1 68 SER QB 1 72 ALA H 1.800 . 6.000 4.433 3.907 4.986 . 0 0 "[ . 1 . 2]" 1
671 1 72 ALA HA 1 75 LEU HB2 1.800 . 5.000 2.367 1.923 2.687 . 0 0 "[ . 1 . 2]" 1
672 1 72 ALA HA 1 75 LEU QD 1.800 . 7.500 2.583 2.138 2.950 . 0 0 "[ . 1 . 2]" 1
673 1 69 TYR QD 1 72 ALA MB 1.800 . 8.500 3.008 2.320 4.053 . 0 0 "[ . 1 . 2]" 1
674 1 72 ALA MB 1 84 PHE QE 1.800 . 6.500 1.998 1.712 2.855 0.088 2 0 "[ . 1 . 2]" 1
675 1 69 TYR QB 1 72 ALA MB 1.800 . 7.500 4.280 3.892 4.665 . 0 0 "[ . 1 . 2]" 1
676 1 72 ALA MB 1 75 LEU H 1.800 . 5.300 4.522 4.261 4.604 . 0 0 "[ . 1 . 2]" 1
677 1 71 VAL H 1 72 ALA MB 1.800 . 6.500 3.974 3.837 4.090 . 0 0 "[ . 1 . 2]" 1
678 1 71 VAL HA 1 72 ALA MB 1.800 . 6.500 4.920 4.888 4.960 . 0 0 "[ . 1 . 2]" 1
679 1 68 SER HA 1 72 ALA MB 1.800 . 6.500 2.970 2.483 3.354 . 0 0 "[ . 1 . 2]" 1
680 1 68 SER QB 1 72 ALA MB 1.800 . 6.500 2.230 1.709 3.021 0.091 2 0 "[ . 1 . 2]" 1
681 1 72 ALA H 1 73 ASP H 1.800 . 3.800 2.698 2.403 2.830 . 0 0 "[ . 1 . 2]" 1
682 1 71 VAL H 1 73 ASP H 1.800 . 5.000 3.435 3.140 3.574 . 0 0 "[ . 1 . 2]" 1
683 1 73 ASP H 1 73 ASP QB 1.800 . 3.800 2.018 1.968 2.057 . 0 0 "[ . 1 . 2]" 1
684 1 70 PRO QB 1 73 ASP H 1.800 . 6.000 5.171 4.899 5.407 . 0 0 "[ . 1 . 2]" 1
685 1 72 ALA MB 1 73 ASP H 1.800 . 4.300 2.424 2.249 2.575 . 0 0 "[ . 1 . 2]" 1
686 1 73 ASP H 1 76 ALA MB 1.800 . 6.500 4.854 4.680 4.979 . 0 0 "[ . 1 . 2]" 1
687 1 73 ASP HA 1 73 ASP HB2 1.800 . 2.800 2.985 2.969 3.001 0.201 7 0 "[ . 1 . 2]" 1
688 1 73 ASP HB2 1 74 ILE HA 1.800 . 5.000 4.572 4.498 4.663 . 0 0 "[ . 1 . 2]" 1
689 1 71 VAL HA 1 73 ASP HB2 1.800 . 3.800 4.054 3.970 4.095 0.295 7 0 "[ . 1 . 2]" 1
690 1 74 ILE H 1 75 LEU H 1.800 . 2.800 2.592 2.489 2.710 . 0 0 "[ . 1 . 2]" 1
691 1 73 ASP H 1 74 ILE H 1.800 . 2.800 2.716 2.634 2.805 0.005 12 0 "[ . 1 . 2]" 1
692 1 72 ALA H 1 74 ILE H 1.800 . 5.000 4.345 4.092 4.498 . 0 0 "[ . 1 . 2]" 1
693 1 71 VAL HA 1 74 ILE H 1.800 . 5.000 2.898 2.775 2.984 . 0 0 "[ . 1 . 2]" 1
694 1 74 ILE H 1 74 ILE HA 1.800 . 2.800 2.875 2.845 2.898 0.098 20 0 "[ . 1 . 2]" 1
695 1 74 ILE H 1 74 ILE QG 1.800 . 6.000 2.451 2.133 3.542 . 0 0 "[ . 1 . 2]" 1
696 1 74 ILE H 1 74 ILE MG 1.800 . 4.300 3.653 3.499 3.695 . 0 0 "[ . 1 . 2]" 1
697 1 74 ILE H 1 77 GLU H 1.800 . 5.000 4.741 4.475 4.945 . 0 0 "[ . 1 . 2]" 1
698 1 73 ASP HB3 1 74 ILE H 1.800 . 2.800 2.871 2.846 2.892 0.092 9 0 "[ . 1 . 2]" 1
699 1 74 ILE H 1 75 LEU HB2 1.800 . 5.000 4.312 4.024 4.640 . 0 0 "[ . 1 . 2]" 1
700 1 74 ILE H 1 74 ILE HB 1.800 . 3.800 2.211 2.008 2.312 . 0 0 "[ . 1 . 2]" 1
701 1 72 ALA MB 1 74 ILE H 1.800 . 5.300 4.570 4.524 4.625 . 0 0 "[ . 1 . 2]" 1
702 1 74 ILE H 1 74 ILE MD 1.800 . 5.300 3.270 1.982 3.718 . 0 0 "[ . 1 . 2]" 1
703 1 73 ASP HA 1 74 ILE H 1.800 . 3.800 3.536 3.528 3.553 . 0 0 "[ . 1 . 2]" 1
704 1 74 ILE HA 1 74 ILE QG 1.800 . 4.800 2.141 2.086 2.403 . 0 0 "[ . 1 . 2]" 1
705 1 74 ILE HB 1 74 ILE MD 1.800 . 5.300 2.280 1.998 2.897 . 0 0 "[ . 1 . 2]" 1
706 1 74 ILE HB 1 75 LEU QD 1.800 . 6.300 4.300 3.884 4.623 . 0 0 "[ . 1 . 2]" 1
707 1 73 ASP HB3 1 74 ILE HB 1.800 . 5.000 4.871 4.645 4.994 . 0 0 "[ . 1 . 2]" 1
708 1 74 ILE HB 1 75 LEU HA 1.800 . 5.000 4.480 4.350 4.793 . 0 0 "[ . 1 . 2]" 1
709 1 74 ILE HB 1 77 GLU QG 1.800 . 6.000 4.775 4.070 5.280 . 0 0 "[ . 1 . 2]" 1
710 1 71 VAL HA 1 74 ILE HB 1.800 . 5.000 2.174 1.983 2.427 . 0 0 "[ . 1 . 2]" 1
711 1 72 ALA H 1 75 LEU H 1.800 . 5.000 4.391 4.308 4.474 . 0 0 "[ . 1 . 2]" 1
712 1 75 LEU H 1 76 ALA H 1.800 . 3.800 2.736 2.582 2.890 . 0 0 "[ . 1 . 2]" 1
713 1 73 ASP H 1 75 LEU H 1.800 . 5.000 3.868 3.690 4.029 . 0 0 "[ . 1 . 2]" 1
714 1 72 ALA HA 1 75 LEU H 1.800 . 5.000 3.458 3.189 3.673 . 0 0 "[ . 1 . 2]" 1
715 1 75 LEU H 1 75 LEU HA 1.800 . 2.800 2.797 2.761 2.834 0.034 15 0 "[ . 1 . 2]" 1
716 1 75 LEU H 1 75 LEU QB 1.800 . 4.300 1.967 1.879 2.070 . 0 0 "[ . 1 . 2]" 1
717 1 75 LEU H 1 75 LEU QD 1.800 . 5.300 3.117 2.728 3.371 . 0 0 "[ . 1 . 2]" 1
718 1 73 ASP HA 1 75 LEU H 1.800 . 5.000 4.619 4.263 4.764 . 0 0 "[ . 1 . 2]" 1
719 1 75 LEU H 1 75 LEU HG 1.800 . 5.000 4.362 4.178 4.478 . 0 0 "[ . 1 . 2]" 1
720 1 75 LEU H 1 77 GLU H 1.800 . 6.000 4.172 3.762 4.453 . 0 0 "[ . 1 . 2]" 1
721 1 71 VAL HA 1 75 LEU H 1.800 . 5.000 3.425 3.125 3.770 . 0 0 "[ . 1 . 2]" 1
722 1 75 LEU HA 1 75 LEU QD 1.800 . 7.500 2.124 1.866 2.551 . 0 0 "[ . 1 . 2]" 1
723 1 75 LEU HB3 1 75 LEU QD 1.800 . 7.500 2.170 1.934 2.366 . 0 0 "[ . 1 . 2]" 1
724 1 72 ALA H 1 75 LEU HB3 1.800 . 5.000 5.087 5.031 5.168 0.168 16 0 "[ . 1 . 2]" 1
725 1 76 ALA H 1 76 ALA HA 1.800 . 2.800 2.908 2.792 2.953 0.153 2 0 "[ . 1 . 2]" 1
726 1 73 ASP H 1 76 ALA H 1.800 . 5.000 4.824 4.657 4.945 . 0 0 "[ . 1 . 2]" 1
727 1 74 ILE H 1 76 ALA H 1.800 . 5.000 3.971 3.843 4.314 . 0 0 "[ . 1 . 2]" 1
728 1 72 ALA HA 1 76 ALA H 1.800 . 5.000 4.376 3.941 4.657 . 0 0 "[ . 1 . 2]" 1
729 1 75 LEU HA 1 76 ALA H 1.800 . 5.000 3.495 3.443 3.576 . 0 0 "[ . 1 . 2]" 1
730 1 76 ALA H 1 76 ALA MB 1.800 . 4.300 2.034 1.904 2.227 . 0 0 "[ . 1 . 2]" 1
731 1 76 ALA H 1 77 GLU QG 1.800 . 6.000 4.344 3.656 5.530 . 0 0 "[ . 1 . 2]" 1
732 1 75 LEU QD 1 76 ALA H 1.800 . 7.500 4.150 3.843 4.284 . 0 0 "[ . 1 . 2]" 1
733 1 72 ALA MB 1 76 ALA H 1.800 . 6.500 4.967 4.621 5.117 . 0 0 "[ . 1 . 2]" 1
734 1 76 ALA H 1 79 ASN QD 1.800 . 4.800 4.142 2.989 4.363 . 0 0 "[ . 1 . 2]" 1
735 1 76 ALA HA 1 79 ASN HB2 1.800 . 5.000 4.557 1.991 5.137 0.137 9 0 "[ . 1 . 2]" 1
736 1 75 LEU QD 1 76 ALA HA 1.800 . 7.500 4.827 4.644 5.028 . 0 0 "[ . 1 . 2]" 1
737 1 76 ALA HA 1 77 GLU HA 1.800 . 5.000 4.843 4.740 4.937 . 0 0 "[ . 1 . 2]" 1
738 1 76 ALA HA 1 78 ARG QG 1.800 . 6.000 5.081 4.742 5.439 . 0 0 "[ . 1 . 2]" 1
739 1 74 ILE H 1 76 ALA MB 1.800 . 6.500 4.658 4.509 4.821 . 0 0 "[ . 1 . 2]" 1
740 1 73 ASP HA 1 76 ALA MB 1.800 . 6.500 3.084 2.904 3.221 . 0 0 "[ . 1 . 2]" 1
741 1 76 ALA MB 1 79 ASN QD 1.800 . 7.500 3.101 2.518 4.653 . 0 0 "[ . 1 . 2]" 1
742 1 73 ASP HB2 1 76 ALA MB 1.800 . 6.500 5.263 5.109 5.357 . 0 0 "[ . 1 . 2]" 1
743 1 76 ALA MB 1 77 GLU QG 1.800 . 7.500 4.109 2.787 5.303 . 0 0 "[ . 1 . 2]" 1
744 1 76 ALA H 1 77 GLU H 1.800 . 2.800 2.414 1.997 2.812 0.012 7 0 "[ . 1 . 2]" 1
745 1 74 ILE HA 1 77 GLU H 1.800 . 3.800 2.871 2.522 3.118 . 0 0 "[ . 1 . 2]" 1
746 1 73 ASP HA 1 77 GLU H 1.800 . 5.000 4.982 4.813 5.070 0.070 11 0 "[ . 1 . 2]" 1
747 1 77 GLU H 1 77 GLU HA 1.800 . 2.800 2.859 2.793 2.923 0.123 2 0 "[ . 1 . 2]" 1
748 1 77 GLU H 1 77 GLU QG 1.800 . 4.800 2.621 1.836 3.888 . 0 0 "[ . 1 . 2]" 1
749 1 77 GLU H 1 77 GLU QB 1.800 . 3.800 2.180 1.927 2.414 . 0 0 "[ . 1 . 2]" 1
750 1 76 ALA HA 1 77 GLU H 1.800 . 5.000 3.532 3.420 3.577 . 0 0 "[ . 1 . 2]" 1
751 1 77 GLU H 1 91 LYS QE 1.800 . 6.000 4.229 3.250 5.237 . 0 0 "[ . 1 . 2]" 1
752 1 78 ARG H 1 91 LYS QE 1.800 . 6.000 5.243 4.742 5.462 . 0 0 "[ . 1 . 2]" 1
753 1 77 GLU H 1 78 ARG H 1.800 . 3.800 2.693 2.382 2.983 . 0 0 "[ . 1 . 2]" 1
754 1 78 ARG H 1 79 ASN H 1.800 . 2.800 2.057 1.809 2.825 0.025 13 0 "[ . 1 . 2]" 1
755 1 78 ARG H 1 79 ASN QD 1.800 . 7.000 4.103 3.052 5.053 . 0 0 "[ . 1 . 2]" 1
756 1 78 ARG H 1 78 ARG HA 1.800 . 2.800 2.970 2.947 2.986 0.186 3 0 "[ . 1 . 2]" 1
757 1 77 GLU HA 1 78 ARG H 1.800 . 5.000 3.519 3.422 3.611 . 0 0 "[ . 1 . 2]" 1
758 1 78 ARG H 1 78 ARG QD 1.800 . 4.800 3.914 3.239 4.294 . 0 0 "[ . 1 . 2]" 1
759 1 77 GLU QG 1 78 ARG H 1.800 . 4.800 3.116 1.942 4.394 . 0 0 "[ . 1 . 2]" 1
760 1 78 ARG H 1 78 ARG HB2 1.800 . 3.800 3.740 3.616 3.848 0.048 8 0 "[ . 1 . 2]" 1
761 1 75 LEU QD 1 78 ARG H 1.800 . 7.500 5.108 4.848 5.386 . 0 0 "[ . 1 . 2]" 1
762 1 78 ARG H 1 78 ARG QG 1.800 . 6.000 2.050 1.810 2.276 . 0 0 "[ . 1 . 2]" 1
763 1 79 ASN H 1 79 ASN HA 1.800 . 2.800 2.431 2.328 2.829 0.029 3 0 "[ . 1 . 2]" 1
764 1 79 ASN H 1 79 ASN HB3 1.800 . 3.800 3.641 2.995 4.002 0.202 15 0 "[ . 1 . 2]" 1
765 1 79 ASN H 1 79 ASN HB2 1.800 . 3.800 3.442 1.872 3.980 0.180 5 0 "[ . 1 . 2]" 1
766 1 79 ASN H 1 79 ASN QD 1.800 . 6.000 3.364 2.890 4.351 . 0 0 "[ . 1 . 2]" 1
767 1 78 ARG QG 1 79 ASN H 1.800 . 4.800 2.182 1.760 3.726 0.040 20 0 "[ . 1 . 2]" 1
768 1 79 ASN H 1 80 VAL QG 1.800 . 7.500 4.318 3.428 5.496 . 0 0 "[ . 1 . 2]" 1
769 1 79 ASN HA 1 82 PHE QD 1.800 . 5.000 4.504 4.075 4.827 . 0 0 "[ . 1 . 2]" 1
770 1 79 ASN HA 1 82 PHE QE 1.800 . 5.000 3.343 2.678 4.443 . 0 0 "[ . 1 . 2]" 1
771 1 76 ALA MB 1 82 PHE HZ 1.800 . 6.500 4.852 4.396 5.421 . 0 0 "[ . 1 . 2]" 1
772 1 79 ASN HA 1 80 VAL HA 1.800 . 5.000 4.509 4.465 4.559 . 0 0 "[ . 1 . 2]" 1
773 1 75 LEU HA 1 79 ASN HA 1.800 . 5.000 3.773 3.024 4.486 . 0 0 "[ . 1 . 2]" 1
774 1 75 LEU HG 1 79 ASN HA 1.800 . 3.800 3.304 2.483 3.789 . 0 0 "[ . 1 . 2]" 1
775 1 79 ASN HA 1 79 ASN QD 1.800 . 5.000 3.109 1.671 4.099 0.129 3 0 "[ . 1 . 2]" 1
776 1 78 ARG QG 1 79 ASN HA 1.800 . 6.000 3.480 3.138 3.856 . 0 0 "[ . 1 . 2]" 1
777 1 78 ARG H 1 79 ASN HA 1.800 . 5.000 4.253 3.997 4.725 . 0 0 "[ . 1 . 2]" 1
778 1 76 ALA HA 1 79 ASN HA 1.800 . 5.000 4.108 3.412 4.915 . 0 0 "[ . 1 . 2]" 1
779 1 79 ASN HA 1 80 VAL H 1.800 . 5.000 2.213 2.146 2.391 . 0 0 "[ . 1 . 2]" 1
780 1 79 ASN HB2 1 80 VAL H 1.800 . 5.000 3.874 2.322 4.466 . 0 0 "[ . 1 . 2]" 1
781 1 78 ARG QG 1 80 VAL H 1.800 . 6.000 4.522 3.365 5.402 . 0 0 "[ . 1 . 2]" 1
782 1 80 VAL H 1 80 VAL HB 1.800 . 3.800 3.031 2.031 3.832 0.032 7 0 "[ . 1 . 2]" 1
783 1 80 VAL H 1 80 VAL QG 1.800 . 5.300 2.291 1.761 2.770 0.039 14 0 "[ . 1 . 2]" 1
784 1 80 VAL H 1 82 PHE QE 1.800 . 5.000 3.565 2.691 4.633 . 0 0 "[ . 1 . 2]" 1
785 1 80 VAL HA 1 80 VAL QG 1.800 . 5.300 2.120 1.929 2.480 . 0 0 "[ . 1 . 2]" 1
786 1 80 VAL QG 1 81 PRO HA 1.800 . 7.500 3.965 3.641 4.576 . 0 0 "[ . 1 . 2]" 1
787 1 81 PRO HA 1 82 PHE H 1.800 . 3.800 2.204 2.179 2.259 . 0 0 "[ . 1 . 2]" 1
788 1 82 PHE H 1 82 PHE QD 1.800 . 5.000 1.883 1.773 2.531 0.027 6 0 "[ . 1 . 2]" 1
789 1 56 ILE HA 1 82 PHE H 1.800 . 5.000 4.869 4.525 5.103 0.103 20 0 "[ . 1 . 2]" 1
790 1 82 PHE H 1 83 ILE MD 1.800 . 6.500 4.561 3.789 4.916 . 0 0 "[ . 1 . 2]" 1
791 1 82 PHE H 1 97 TYR HB3 1.800 . 5.000 4.965 4.743 5.134 0.134 11 0 "[ . 1 . 2]" 1
792 1 82 PHE H 1 97 TYR HB2 1.800 . 5.000 3.724 3.475 4.080 . 0 0 "[ . 1 . 2]" 1
793 1 82 PHE H 1 97 TYR QD 1.800 . 3.800 2.491 1.736 3.804 0.064 4 0 "[ . 1 . 2]" 1
794 1 82 PHE H 1 97 TYR QE 1.800 . 5.000 2.883 2.326 4.085 . 0 0 "[ . 1 . 2]" 1
795 1 81 PRO QB 1 82 PHE H 1.800 . 3.800 3.512 3.290 3.571 . 0 0 "[ . 1 . 2]" 1
796 1 56 ILE MD 1 82 PHE H 1.800 . 6.500 5.216 3.404 5.514 . 0 0 "[ . 1 . 2]" 1
797 1 81 PRO QG 1 82 PHE H 1.800 . 6.000 4.739 4.650 4.787 . 0 0 "[ . 1 . 2]" 1
798 1 82 PHE H 1 82 PHE QE 1.800 . 5.000 4.061 3.955 4.246 . 0 0 "[ . 1 . 2]" 1
799 1 82 PHE HA 1 83 ILE H 1.800 . 3.800 2.952 2.760 3.140 . 0 0 "[ . 1 . 2]" 1
800 1 82 PHE HA 1 83 ILE MG 1.800 . 6.500 5.064 4.818 5.196 . 0 0 "[ . 1 . 2]" 1
801 1 81 PRO QG 1 82 PHE HA 1.800 . 6.000 5.159 5.079 5.229 . 0 0 "[ . 1 . 2]" 1
802 1 82 PHE HA 1 82 PHE QD 1.800 . 5.000 3.482 3.391 3.667 . 0 0 "[ . 1 . 2]" 1
803 1 82 PHE HA 1 95 THR HG1 1.800 . 5.000 4.484 4.151 5.130 0.130 5 0 "[ . 1 . 2]" 1
804 1 54 PHE QE 1 82 PHE HA 1.800 . 5.000 3.450 2.750 4.922 . 0 0 "[ . 1 . 2]" 1
805 1 56 ILE MD 1 82 PHE HA 1.800 . 6.500 3.971 1.930 4.588 . 0 0 "[ . 1 . 2]" 1
806 1 54 PHE QE 1 82 PHE HB2 1.800 . 5.000 2.489 1.857 3.802 . 0 0 "[ . 1 . 2]" 1
807 1 82 PHE HB2 1 95 THR HG1 1.800 . 5.000 5.107 5.004 5.201 0.201 15 0 "[ . 1 . 2]" 1
808 1 82 PHE HB2 1 83 ILE H 1.800 . 5.000 1.912 1.800 2.102 . 0 0 "[ . 1 . 2]" 1
809 1 82 PHE QD 1 83 ILE HB 1.800 . 5.000 4.675 4.426 4.865 . 0 0 "[ . 1 . 2]" 1
810 1 82 PHE QD 1 95 THR HG1 1.800 . 5.000 1.931 1.719 2.428 0.081 14 0 "[ . 1 . 2]" 1
811 1 81 PRO HA 1 82 PHE QD 1.800 . 5.000 3.320 3.011 3.531 . 0 0 "[ . 1 . 2]" 1
812 1 82 PHE QD 1 83 ILE MG 1.800 . 6.500 4.904 4.215 5.098 . 0 0 "[ . 1 . 2]" 1
813 1 75 LEU QD 1 82 PHE QE 1.800 . 7.500 2.674 1.941 4.174 . 0 0 "[ . 1 . 2]" 1
814 1 82 PHE QE 1 95 THR HB 1.800 . 5.000 2.140 1.826 3.833 . 0 0 "[ . 1 . 2]" 1
815 1 82 PHE QE 1 95 THR HG1 1.800 . 5.000 3.060 2.298 3.330 . 0 0 "[ . 1 . 2]" 1
816 1 80 VAL QG 1 82 PHE QE 1.800 . 7.500 4.265 3.387 5.026 . 0 0 "[ . 1 . 2]" 1
817 1 75 LEU QD 1 82 PHE HZ 1.800 . 7.500 4.498 3.910 5.387 . 0 0 "[ . 1 . 2]" 1
818 1 56 ILE HA 1 83 ILE H 1.800 . 5.000 3.082 2.868 3.368 . 0 0 "[ . 1 . 2]" 1
819 1 56 ILE HB 1 83 ILE H 1.800 . 5.500 5.334 4.841 5.603 0.103 17 0 "[ . 1 . 2]" 1
820 1 57 ALA MB 1 83 ILE H 1.800 . 6.500 3.125 2.948 3.339 . 0 0 "[ . 1 . 2]" 1
821 1 82 PHE HB3 1 83 ILE H 1.800 . 3.800 3.338 3.264 3.512 . 0 0 "[ . 1 . 2]" 1
822 1 56 ILE MD 1 83 ILE H 1.800 . 6.500 4.228 2.631 4.702 . 0 0 "[ . 1 . 2]" 1
823 1 83 ILE H 1 83 ILE QG 1.800 . 4.800 4.025 3.893 4.256 . 0 0 "[ . 1 . 2]" 1
824 1 82 PHE QD 1 83 ILE H 1.800 . 7.000 2.767 1.866 2.977 . 0 0 "[ . 1 . 2]" 1
825 1 83 ILE H 1 83 ILE HB 1.800 . 3.800 2.880 2.760 2.969 . 0 0 "[ . 1 . 2]" 1
826 1 57 ALA H 1 83 ILE H 1.800 . 5.000 2.249 2.089 2.442 . 0 0 "[ . 1 . 2]" 1
827 1 82 PHE QD 1 83 ILE HA 1.800 . 5.000 3.528 3.332 3.964 . 0 0 "[ . 1 . 2]" 1
828 1 83 ILE HA 1 83 ILE HB 1.800 . 2.800 2.861 2.771 2.906 0.106 15 0 "[ . 1 . 2]" 1
829 1 83 ILE HA 1 83 ILE QG 1.800 . 3.800 2.128 1.901 2.666 . 0 0 "[ . 1 . 2]" 1
830 1 82 PHE HA 1 83 ILE HA 1.800 . 5.000 4.793 4.685 4.841 . 0 0 "[ . 1 . 2]" 1
831 1 58 ILE MD 1 83 ILE HA 1.800 . 6.500 5.106 4.577 5.301 . 0 0 "[ . 1 . 2]" 1
832 1 83 ILE HA 1 97 TYR HB3 1.800 . 5.000 5.026 4.491 5.219 0.219 10 0 "[ . 1 . 2]" 1
833 1 56 ILE MD 1 83 ILE HB 1.800 . 4.300 1.987 1.687 2.480 0.113 18 0 "[ . 1 . 2]" 1
834 1 83 ILE HB 1 97 TYR QE 1.800 . 5.000 4.294 3.037 4.864 . 0 0 "[ . 1 . 2]" 1
835 1 83 ILE H 1 84 PHE H 1.800 . 5.000 4.265 4.141 4.332 . 0 0 "[ . 1 . 2]" 1
836 1 83 ILE HA 1 84 PHE H 1.800 . 3.800 2.396 2.282 2.509 . 0 0 "[ . 1 . 2]" 1
837 1 84 PHE H 1 84 PHE QB 1.800 . 3.800 2.656 2.533 2.741 . 0 0 "[ . 1 . 2]" 1
838 1 83 ILE QG 1 84 PHE H 1.800 . 4.800 3.321 2.671 4.318 . 0 0 "[ . 1 . 2]" 1
839 1 83 ILE HB 1 84 PHE H 1.800 . 5.000 4.283 4.123 4.397 . 0 0 "[ . 1 . 2]" 1
840 1 84 PHE H 1 103 LEU H 1.800 . 5.000 4.825 4.370 5.042 0.042 14 0 "[ . 1 . 2]" 1
841 1 84 PHE H 1 85 ALA HA 1.800 . 5.000 4.772 4.669 4.860 . 0 0 "[ . 1 . 2]" 1
842 1 84 PHE H 1 100 ILE MD 1.800 . 6.500 5.019 4.108 5.605 . 0 0 "[ . 1 . 2]" 1
843 1 84 PHE HA 1 84 PHE QE 1.800 . 5.000 4.561 4.149 4.735 . 0 0 "[ . 1 . 2]" 1
844 1 84 PHE HA 1 84 PHE QD 1.800 . 5.000 2.843 1.790 3.174 0.010 10 0 "[ . 1 . 2]" 1
845 1 83 ILE MG 1 84 PHE HA 1.800 . 6.000 3.138 3.027 3.247 . 0 0 "[ . 1 . 2]" 1
846 1 56 ILE MG 1 84 PHE QB 1.800 . 7.500 4.975 4.611 5.220 . 0 0 "[ . 1 . 2]" 1
847 1 84 PHE QB 1 85 ALA HA 1.800 . 4.800 4.263 4.132 4.331 . 0 0 "[ . 1 . 2]" 1
848 1 83 ILE HB 1 84 PHE QB 1.800 . 6.000 5.457 5.385 5.531 . 0 0 "[ . 1 . 2]" 1
849 1 83 ILE MG 1 84 PHE QB 1.800 . 7.500 3.993 3.934 4.124 . 0 0 "[ . 1 . 2]" 1
850 1 84 PHE QB 1 85 ALA MB 1.800 . 6.500 4.621 4.555 4.733 . 0 0 "[ . 1 . 2]" 1
851 1 59 ILE MG 1 84 PHE QD 1.800 . 6.500 4.812 4.602 5.005 . 0 0 "[ . 1 . 2]" 1
852 1 59 ILE MD 1 84 PHE QD 1.800 . 6.500 3.324 2.271 4.209 . 0 0 "[ . 1 . 2]" 1
853 1 59 ILE HB 1 84 PHE QD 1.800 . 5.000 3.599 3.242 3.895 . 0 0 "[ . 1 . 2]" 1
854 1 72 ALA HA 1 84 PHE QD 1.800 . 5.000 4.115 3.713 5.003 0.003 1 0 "[ . 1 . 2]" 1
855 1 75 LEU QD 1 84 PHE QD 1.800 . 7.500 2.843 2.002 3.979 . 0 0 "[ . 1 . 2]" 1
856 1 73 ASP HA 1 84 PHE QE 1.800 . 5.500 5.090 3.776 5.433 . 0 0 "[ . 1 . 2]" 1
857 1 59 ILE MG 1 84 PHE QE 1.800 . 6.500 3.156 2.848 3.520 . 0 0 "[ . 1 . 2]" 1
858 1 84 PHE QE 1 86 THR MG 1.800 . 6.500 2.603 1.908 3.450 . 0 0 "[ . 1 . 2]" 1
859 1 76 ALA MB 1 84 PHE QE 1.800 . 6.500 4.238 2.821 4.977 . 0 0 "[ . 1 . 2]" 1
860 1 59 ILE QG 1 84 PHE HZ 1.800 . 6.000 4.833 3.789 5.490 . 0 0 "[ . 1 . 2]" 1
861 1 84 PHE HA 1 85 ALA H 1.800 . 3.800 2.373 2.278 2.434 . 0 0 "[ . 1 . 2]" 1
862 1 60 ASP HA 1 85 ALA H 1.800 . 5.000 4.260 4.037 4.549 . 0 0 "[ . 1 . 2]" 1
863 1 84 PHE QD 1 85 ALA H 1.800 . 7.000 2.391 1.759 2.751 0.041 10 0 "[ . 1 . 2]" 1
864 1 84 PHE QB 1 85 ALA H 1.800 . 3.800 3.346 3.220 3.541 . 0 0 "[ . 1 . 2]" 1
865 1 85 ALA H 1 85 ALA MB 1.800 . 4.300 2.512 2.406 2.587 . 0 0 "[ . 1 . 2]" 1
866 1 58 ILE HA 1 85 ALA H 1.800 . 5.000 3.102 2.804 3.711 . 0 0 "[ . 1 . 2]" 1
867 1 83 ILE MG 1 85 ALA HA 1.800 . 6.500 5.333 5.212 5.436 . 0 0 "[ . 1 . 2]" 1
868 1 84 PHE H 1 85 ALA MB 1.800 . 6.500 4.611 4.435 4.741 . 0 0 "[ . 1 . 2]" 1
869 1 83 ILE MG 1 85 ALA MB 1.800 . 8.300 4.090 3.945 4.211 . 0 0 "[ . 1 . 2]" 1
870 1 85 ALA MB 1 103 LEU H 1.800 . 5.300 2.363 1.771 3.158 0.029 10 0 "[ . 1 . 2]" 1
871 1 85 ALA MB 1 86 THR MG 1.800 . 8.000 4.077 3.754 5.044 . 0 0 "[ . 1 . 2]" 1
872 1 58 ILE QG 1 85 ALA MB 1.800 . 5.300 3.162 2.727 3.716 . 0 0 "[ . 1 . 2]" 1
873 1 85 ALA MB 1 102 LEU HA 1.800 . 5.300 3.454 2.287 4.283 . 0 0 "[ . 1 . 2]" 1
874 1 85 ALA MB 1 104 THR MG 1.800 . 8.000 4.404 3.399 5.039 . 0 0 "[ . 1 . 2]" 1
875 1 85 ALA MB 1 105 LYS QD 1.800 . 7.500 4.788 2.560 5.598 . 0 0 "[ . 1 . 2]" 1
876 1 86 THR H 1 104 THR HA 1.800 . 5.000 3.439 2.063 4.305 . 0 0 "[ . 1 . 2]" 1
877 1 86 THR H 1 104 THR MG 1.800 . 6.500 4.342 3.065 5.123 . 0 0 "[ . 1 . 2]" 1
878 1 60 ASP HA 1 86 THR H 1.800 . 5.000 4.488 4.066 5.020 0.020 7 0 "[ . 1 . 2]" 1
879 1 85 ALA MB 1 86 THR H 1.800 . 4.300 2.873 2.556 3.393 . 0 0 "[ . 1 . 2]" 1
880 1 86 THR H 1 86 THR MG 1.800 . 6.000 2.279 1.856 3.659 . 0 0 "[ . 1 . 2]" 1
881 1 85 ALA HA 1 86 THR H 1.800 . 5.000 2.349 2.210 2.477 . 0 0 "[ . 1 . 2]" 1
882 1 86 THR H 1 103 LEU H 1.800 . 5.000 3.934 3.597 4.456 . 0 0 "[ . 1 . 2]" 1
883 1 86 THR H 1 103 LEU HA 1.800 . 5.000 3.836 2.145 5.171 0.171 1 0 "[ . 1 . 2]" 1
884 1 86 THR H 1 104 THR H 1.800 . 5.000 4.612 3.534 5.101 0.101 1 0 "[ . 1 . 2]" 1
885 1 62 ASN QB 1 86 THR HB 1.800 . 6.000 4.671 3.411 5.192 . 0 0 "[ . 1 . 2]" 1
886 1 86 THR HA 1 86 THR MG 1.800 . 5.300 3.075 2.298 3.185 . 0 0 "[ . 1 . 2]" 1
887 1 85 ALA HA 1 86 THR HA 1.800 . 5.000 4.570 4.475 4.693 . 0 0 "[ . 1 . 2]" 1
888 1 86 THR HA 1 87 GLY QA 1.800 . 4.800 4.017 3.958 4.069 . 0 0 "[ . 1 . 2]" 1
889 1 61 VAL MG1 1 86 THR HA 1.800 . 5.300 3.343 2.386 4.259 . 0 0 "[ . 1 . 2]" 1
890 1 84 PHE QE 1 86 THR HA 1.800 . 5.000 3.691 3.113 4.932 . 0 0 "[ . 1 . 2]" 1
891 1 86 THR HA 1 104 THR HA 1.800 . 5.000 4.495 3.225 5.116 0.116 16 0 "[ . 1 . 2]" 1
892 1 87 GLY H 1 89 GLY H 1.800 . 5.000 4.555 3.930 5.077 0.077 4 0 "[ . 1 . 2]" 1
893 1 86 THR HA 1 87 GLY H 1.800 . 4.800 2.453 2.183 2.581 . 0 0 "[ . 1 . 2]" 1
894 1 86 THR HB 1 87 GLY H 1.800 . 5.000 3.649 2.201 4.300 . 0 0 "[ . 1 . 2]" 1
895 1 63 LEU QD 1 87 GLY H 1.800 . 7.500 4.509 3.293 5.585 . 0 0 "[ . 1 . 2]" 1
896 1 63 LEU QB 1 87 GLY H 1.800 . 6.000 4.588 4.027 5.114 . 0 0 "[ . 1 . 2]" 1
897 1 62 ASN HA 1 87 GLY H 1.800 . 5.000 4.698 4.333 5.151 0.151 10 0 "[ . 1 . 2]" 1
898 1 62 ASN QB 1 87 GLY H 1.800 . 6.000 2.110 1.794 2.462 0.006 5 0 "[ . 1 . 2]" 1
899 1 87 GLY QA 1 88 TYR HA 1.800 . 4.800 4.067 3.976 4.496 . 0 0 "[ . 1 . 2]" 1
900 1 88 TYR H 1 89 GLY H 1.800 . 3.800 2.346 1.803 2.891 . 0 0 "[ . 1 . 2]" 1
901 1 88 TYR H 1 90 SER H 1.800 . 5.000 4.195 3.298 5.012 0.012 7 0 "[ . 1 . 2]" 1
902 1 87 GLY QA 1 88 TYR H 1.800 . 3.800 2.741 2.301 2.984 . 0 0 "[ . 1 . 2]" 1
903 1 88 TYR H 1 88 TYR QB 1.800 . 3.800 2.574 2.037 3.053 . 0 0 "[ . 1 . 2]" 1
904 1 89 GLY H 1 90 SER H 1.800 . 5.000 2.411 1.862 3.761 . 0 0 "[ . 1 . 2]" 1
905 1 88 TYR QD 1 89 GLY H 1.800 . 5.000 3.498 2.488 4.695 . 0 0 "[ . 1 . 2]" 1
906 1 88 TYR HA 1 89 GLY H 1.800 . 3.800 3.463 2.896 3.626 . 0 0 "[ . 1 . 2]" 1
907 1 86 THR HB 1 89 GLY H 1.800 . 5.000 4.628 3.901 5.094 0.094 13 0 "[ . 1 . 2]" 1
908 1 87 GLY QA 1 89 GLY H 1.800 . 6.000 4.137 3.667 4.816 . 0 0 "[ . 1 . 2]" 1
909 1 88 TYR QB 1 89 GLY H 1.800 . 6.000 3.147 2.253 4.012 . 0 0 "[ . 1 . 2]" 1
910 1 85 ALA MB 1 89 GLY H 1.800 . 6.500 5.346 4.627 5.523 . 0 0 "[ . 1 . 2]" 1
911 1 88 TYR HA 1 89 GLY QA 1.800 . 6.000 4.252 4.123 4.339 . 0 0 "[ . 1 . 2]" 1
912 1 88 TYR QD 1 90 SER H 1.800 . 5.000 3.027 1.997 4.573 . 0 0 "[ . 1 . 2]" 1
913 1 85 ALA HA 1 90 SER H 1.800 . 5.000 4.415 3.491 5.273 0.273 9 0 "[ . 1 . 2]" 1
914 1 89 GLY H 1 90 SER HA 1.800 . 5.000 4.584 4.031 5.071 0.071 1 0 "[ . 1 . 2]" 1
915 1 89 GLY QA 1 90 SER HA 1.800 . 6.000 4.479 4.151 4.617 . 0 0 "[ . 1 . 2]" 1
916 1 90 SER HA 1 91 LYS QG 1.800 . 6.000 3.957 3.213 5.641 . 0 0 "[ . 1 . 2]" 1
917 1 88 TYR QE 1 90 SER HA 1.800 . 5.000 3.264 1.952 4.529 . 0 0 "[ . 1 . 2]" 1
918 1 88 TYR QD 1 90 SER HA 1.800 . 5.000 3.752 2.880 4.745 . 0 0 "[ . 1 . 2]" 1
919 1 90 SER HA 1 91 LYS QB 1.800 . 6.000 4.337 3.502 4.858 . 0 0 "[ . 1 . 2]" 1
920 1 90 SER HA 1 93 LEU MD1 1.800 . 6.500 3.904 3.007 5.148 . 0 0 "[ . 1 . 2]" 1
921 1 90 SER HA 1 93 LEU MD2 1.800 . 6.500 5.399 5.024 5.581 . 0 0 "[ . 1 . 2]" 1
922 1 85 ALA HA 1 90 SER HA 1.800 . 5.000 4.903 4.202 5.272 0.272 10 0 "[ . 1 . 2]" 1
923 1 90 SER QB 1 91 LYS QG 1.800 . 7.000 4.514 3.818 5.555 . 0 0 "[ . 1 . 2]" 1
924 1 91 LYS H 1 92 GLY H 1.800 . 5.000 3.098 1.846 4.124 . 0 0 "[ . 1 . 2]" 1
925 1 90 SER HA 1 91 LYS H 1.800 . 3.800 2.502 2.129 3.524 . 0 0 "[ . 1 . 2]" 1
926 1 91 LYS H 1 91 LYS HA 1.800 . 2.800 2.786 2.358 2.977 0.177 6 0 "[ . 1 . 2]" 1
927 1 90 SER QB 1 91 LYS H 1.800 . 6.000 3.228 1.864 3.847 . 0 0 "[ . 1 . 2]" 1
928 1 92 GLY H 1 93 LEU H 1.800 . 5.000 2.455 1.860 3.549 . 0 0 "[ . 1 . 2]" 1
929 1 91 LYS HA 1 92 GLY H 1.800 . 3.800 3.031 2.410 3.552 . 0 0 "[ . 1 . 2]" 1
930 1 91 LYS QB 1 92 GLY H 1.800 . 6.000 3.628 1.803 4.096 . 0 0 "[ . 1 . 2]" 1
931 1 90 SER HA 1 92 GLY H 1.800 . 5.000 4.282 3.419 5.054 0.054 1 0 "[ . 1 . 2]" 1
932 1 92 GLY QA 1 93 LEU H 1.800 . 3.800 2.756 2.587 2.912 . 0 0 "[ . 1 . 2]" 1
933 1 90 SER QB 1 93 LEU H 1.800 . 6.000 3.299 2.138 4.588 . 0 0 "[ . 1 . 2]" 1
934 1 90 SER HA 1 93 LEU H 1.800 . 5.000 4.365 3.403 5.005 0.005 4 0 "[ . 1 . 2]" 1
935 1 93 LEU H 1 93 LEU MD2 1.800 . 6.500 3.261 1.962 4.753 . 0 0 "[ . 1 . 2]" 1
936 1 91 LYS QG 1 93 LEU H 1.800 . 6.000 3.320 2.466 4.539 . 0 0 "[ . 1 . 2]" 1
937 1 93 LEU H 1 93 LEU QB 1.800 . 3.800 2.256 1.919 2.874 . 0 0 "[ . 1 . 2]" 1
938 1 91 LYS QE 1 93 LEU H 1.800 . 6.000 4.210 3.469 5.080 . 0 0 "[ . 1 . 2]" 1
939 1 93 LEU HA 1 94 ASP HA 1.800 . 5.000 4.466 4.442 4.513 . 0 0 "[ . 1 . 2]" 1
940 1 93 LEU HA 1 94 ASP HB3 1.800 . 5.000 4.397 4.159 4.810 . 0 0 "[ . 1 . 2]" 1
941 1 91 LYS QE 1 93 LEU HA 1.800 . 4.800 3.550 2.506 4.322 . 0 0 "[ . 1 . 2]" 1
942 1 92 GLY QA 1 93 LEU HA 1.800 . 6.000 4.341 4.255 4.476 . 0 0 "[ . 1 . 2]" 1
943 1 93 LEU QB 1 93 LEU MD2 1.800 . 6.300 2.210 1.877 2.559 . 0 0 "[ . 1 . 2]" 1
944 1 90 SER QB 1 93 LEU QB 1.800 . 7.000 3.231 1.767 4.919 0.033 2 0 "[ . 1 . 2]" 1
945 1 79 ASN QD 1 93 LEU QB 1.800 . 7.000 2.890 1.706 5.306 0.094 9 0 "[ . 1 . 2]" 1
946 1 92 GLY QA 1 93 LEU MD2 1.800 . 7.500 4.150 2.765 5.486 . 0 0 "[ . 1 . 2]" 1
947 1 93 LEU MD2 1 94 ASP HB3 1.800 . 6.500 4.965 4.529 5.369 . 0 0 "[ . 1 . 2]" 1
948 1 93 LEU MD2 1 99 ASN HB2 1.800 . 6.500 4.710 3.958 5.335 . 0 0 "[ . 1 . 2]" 1
949 1 79 ASN HB2 1 93 LEU MD2 1.800 . 6.500 4.759 3.317 5.474 . 0 0 "[ . 1 . 2]" 1
950 1 82 PHE QE 1 94 ASP H 1.800 . 5.000 4.263 3.978 4.563 . 0 0 "[ . 1 . 2]" 1
951 1 94 ASP H 1 99 ASN QD 1.800 . 6.000 4.848 3.756 5.516 . 0 0 "[ . 1 . 2]" 1
952 1 93 LEU H 1 94 ASP H 1.800 . 5.000 4.549 3.888 4.707 . 0 0 "[ . 1 . 2]" 1
953 1 94 ASP H 1 95 THR H 1.800 . 5.000 4.516 4.158 4.590 . 0 0 "[ . 1 . 2]" 1
954 1 93 LEU HA 1 94 ASP H 1.800 . 3.800 2.298 2.164 2.646 . 0 0 "[ . 1 . 2]" 1
955 1 94 ASP H 1 94 ASP HB2 1.800 . 3.800 3.666 3.582 3.719 . 0 0 "[ . 1 . 2]" 1
956 1 93 LEU QB 1 94 ASP H 1.800 . 4.800 3.180 2.289 3.971 . 0 0 "[ . 1 . 2]" 1
957 1 93 LEU MD2 1 94 ASP H 1.800 . 6.500 3.429 2.633 4.092 . 0 0 "[ . 1 . 2]" 1
958 1 93 LEU HA 1 94 ASP QB 1.800 . 6.000 4.249 4.054 4.569 . 0 0 "[ . 1 . 2]" 1
959 1 95 THR H 1 97 TYR H 1.800 . 5.000 4.254 3.758 4.580 . 0 0 "[ . 1 . 2]" 1
960 1 95 THR H 1 96 ARG H 1.800 . 5.000 4.353 4.218 4.405 . 0 0 "[ . 1 . 2]" 1
961 1 95 THR H 1 95 THR HB 1.800 . 3.800 3.485 2.905 3.884 0.084 14 0 "[ . 1 . 2]" 1
962 1 95 THR H 1 95 THR MG 1.800 . 6.500 2.614 2.362 3.893 . 0 0 "[ . 1 . 2]" 1
963 1 94 ASP HA 1 95 THR H 1.800 . 5.000 2.285 2.193 2.367 . 0 0 "[ . 1 . 2]" 1
964 1 94 ASP HB2 1 95 THR H 1.800 . 5.000 3.150 2.854 3.987 . 0 0 "[ . 1 . 2]" 1
965 1 96 ARG H 1 97 TYR H 1.800 . 3.800 2.638 2.532 2.876 . 0 0 "[ . 1 . 2]" 1
966 1 95 THR HB 1 96 ARG H 1.800 . 5.000 3.788 2.418 4.367 . 0 0 "[ . 1 . 2]" 1
967 1 95 THR HA 1 96 ARG H 1.800 . 3.800 2.459 2.315 2.661 . 0 0 "[ . 1 . 2]" 1
968 1 95 THR MG 1 96 ARG H 1.800 . 5.300 3.435 1.989 3.924 . 0 0 "[ . 1 . 2]" 1
969 1 96 ARG H 1 96 ARG HB3 1.800 . 3.800 3.512 3.428 3.565 . 0 0 "[ . 1 . 2]" 1
970 1 95 THR HB 1 97 TYR H 1.800 . 3.800 3.881 3.182 3.979 0.179 4 0 "[ . 1 . 2]" 1
971 1 82 PHE H 1 97 TYR H 1.800 . 5.000 3.894 3.609 4.299 . 0 0 "[ . 1 . 2]" 1
972 1 97 TYR H 1 98 SER H 1.800 . 2.800 2.551 2.371 2.837 0.037 5 0 "[ . 1 . 2]" 1
973 1 97 TYR H 1 97 TYR QD 1.800 . 3.800 2.090 1.747 2.829 0.053 11 0 "[ . 1 . 2]" 1
974 1 97 TYR H 1 97 TYR HB3 1.800 . 3.800 3.457 3.402 3.520 . 0 0 "[ . 1 . 2]" 1
975 1 97 TYR H 1 97 TYR HB2 1.800 . 3.800 2.130 2.035 2.302 . 0 0 "[ . 1 . 2]" 1
976 1 97 TYR H 1 98 SER HA 1.800 . 5.000 4.845 4.675 4.999 . 0 0 "[ . 1 . 2]" 1
977 1 96 ARG HD2 1 97 TYR H 1.800 . 6.000 5.351 4.436 6.067 0.067 16 0 "[ . 1 . 2]" 1
978 1 96 ARG HB3 1 97 TYR HA 1.800 . 5.000 4.626 4.219 4.937 . 0 0 "[ . 1 . 2]" 1
979 1 97 TYR HA 1 100 ILE MD 1.800 . 6.500 3.648 2.809 4.258 . 0 0 "[ . 1 . 2]" 1
980 1 96 ARG HB2 1 97 TYR HA 1.800 . 5.000 4.516 4.297 4.836 . 0 0 "[ . 1 . 2]" 1
981 1 97 TYR HB3 1 98 SER H 1.800 . 5.000 3.660 3.014 4.169 . 0 0 "[ . 1 . 2]" 1
982 1 93 LEU MD2 1 97 TYR HB3 1.800 . 6.500 5.150 4.512 5.515 . 0 0 "[ . 1 . 2]" 1
983 1 97 TYR HB3 1 100 ILE MD 1.800 . 6.500 1.840 1.667 2.438 0.133 16 0 "[ . 1 . 2]" 1
984 1 97 TYR HB3 1 97 TYR QE 1.800 . 5.000 4.431 4.381 4.494 . 0 0 "[ . 1 . 2]" 1
985 1 97 TYR HA 1 97 TYR QD 1.800 . 3.800 2.860 2.022 3.065 . 0 0 "[ . 1 . 2]" 1
986 1 97 TYR QD 1 118 GLN QG 1.800 . 6.000 3.848 2.988 4.732 . 0 0 "[ . 1 . 2]" 1
987 1 97 TYR QD 1 100 ILE MD 1.800 . 6.500 2.787 1.817 3.449 . 0 0 "[ . 1 . 2]" 1
988 1 56 ILE MG 1 97 TYR QE 1.800 . 6.500 4.387 3.556 4.959 . 0 0 "[ . 1 . 2]" 1
989 1 97 TYR HA 1 97 TYR QE 1.800 . 5.000 4.418 4.159 4.554 . 0 0 "[ . 1 . 2]" 1
990 1 96 ARG HB2 1 97 TYR QE 1.800 . 5.000 3.581 3.204 4.591 . 0 0 "[ . 1 . 2]" 1
991 1 81 PRO QB 1 97 TYR QE 1.800 . 6.000 2.529 2.091 4.133 . 0 0 "[ . 1 . 2]" 1
992 1 98 SER H 1 99 ASN HB2 1.800 . 5.000 5.173 5.042 5.297 0.297 16 0 "[ . 1 . 2]" 1
993 1 98 SER H 1 98 SER HB2 1.800 . 3.800 3.605 3.045 3.851 0.051 3 0 "[ . 1 . 2]" 1
994 1 97 TYR HA 1 98 SER H 1.800 . 5.000 3.508 3.326 3.609 . 0 0 "[ . 1 . 2]" 1
995 1 96 ARG HA 1 98 SER H 1.800 . 5.000 4.093 3.319 4.866 . 0 0 "[ . 1 . 2]" 1
996 1 98 SER HB2 1 100 ILE MD 1.800 . 6.500 4.329 2.929 5.294 . 0 0 "[ . 1 . 2]" 1
997 1 98 SER HB2 1 100 ILE MG 1.800 . 6.500 4.012 2.211 5.328 . 0 0 "[ . 1 . 2]" 1
998 1 98 SER HB2 1 100 ILE QG 1.800 . 6.000 3.829 2.166 5.525 . 0 0 "[ . 1 . 2]" 1
999 1 98 SER HB2 1 121 LYS QD 1.800 . 6.000 5.026 3.839 5.467 . 0 0 "[ . 1 . 2]" 1
1000 1 97 TYR HA 1 98 SER HB2 1.800 . 5.000 4.342 3.713 4.671 . 0 0 "[ . 1 . 2]" 1
1001 1 97 TYR HB3 1 98 SER HB2 1.800 . 5.000 4.936 4.704 5.110 0.110 11 0 "[ . 1 . 2]" 1
1002 1 98 SER HB2 1 99 ASN HB2 1.800 . 6.000 4.764 4.211 5.643 . 0 0 "[ . 1 . 2]" 1
1003 1 99 ASN H 1 100 ILE H 1.800 . 3.800 3.706 2.924 3.865 0.065 3 0 "[ . 1 . 2]" 1
1004 1 99 ASN H 1 99 ASN QD 1.800 . 6.000 2.277 1.822 3.958 . 0 0 "[ . 1 . 2]" 1
1005 1 99 ASN H 1 99 ASN HA 1.800 . 2.800 2.373 2.354 2.397 . 0 0 "[ . 1 . 2]" 1
1006 1 98 SER HA 1 99 ASN H 1.800 . 3.800 2.803 2.574 3.113 . 0 0 "[ . 1 . 2]" 1
1007 1 94 ASP HA 1 99 ASN H 1.800 . 5.000 4.746 3.796 5.105 0.105 6 0 "[ . 1 . 2]" 1
1008 1 100 ILE H 1 100 ILE HB 1.800 . 3.800 3.451 2.721 3.865 0.065 9 0 "[ . 1 . 2]" 1
1009 1 100 ILE H 1 100 ILE MG 1.800 . 6.500 3.366 1.753 3.928 0.047 18 0 "[ . 1 . 2]" 1
1010 1 100 ILE H 1 100 ILE MD 1.800 . 5.300 2.359 1.707 4.577 0.093 16 0 "[ . 1 . 2]" 1
1011 1 99 ASN QB 1 100 ILE H 1.800 . 6.000 3.342 2.176 3.810 . 0 0 "[ . 1 . 2]" 1
1012 1 99 ASN QD 1 100 ILE H 1.800 . 4.800 4.039 3.324 4.272 . 0 0 "[ . 1 . 2]" 1
1013 1 99 ASN HA 1 100 ILE H 1.800 . 5.000 2.601 2.195 3.559 . 0 0 "[ . 1 . 2]" 1
1014 1 101 PRO QB 1 114 ALA MB 1.800 . 7.500 2.351 1.666 3.265 0.134 20 0 "[ . 1 . 2]" 1
1015 1 101 PRO QB 1 115 VAL MG2 1.800 . 7.500 4.860 4.319 5.160 . 0 0 "[ . 1 . 2]" 1
1016 1 101 PRO QB 1 117 VAL QG 1.800 . 8.500 3.687 1.718 5.360 0.082 13 0 "[ . 1 . 2]" 1
1017 1 102 LEU H 1 102 LEU QB 1.800 . 4.800 2.500 2.107 3.264 . 0 0 "[ . 1 . 2]" 1
1018 1 101 PRO HA 1 102 LEU H 1.800 . 3.800 2.662 2.120 3.557 . 0 0 "[ . 1 . 2]" 1
1019 1 101 PRO QB 1 102 LEU H 1.800 . 4.800 3.820 2.808 4.033 . 0 0 "[ . 1 . 2]" 1
1020 1 101 PRO QD 1 102 LEU H 1.800 . 6.000 4.169 3.128 4.907 . 0 0 "[ . 1 . 2]" 1
1021 1 102 LEU H 1 102 LEU QD 1.800 . 6.300 2.250 1.697 3.127 0.103 1 0 "[ . 1 . 2]" 1
1022 1 100 ILE MD 1 102 LEU H 1.800 . 6.500 4.560 2.893 5.531 . 0 0 "[ . 1 . 2]" 1
1023 1 102 LEU HA 1 102 LEU QD 1.800 . 7.500 2.767 1.736 3.387 0.064 9 0 "[ . 1 . 2]" 1
1024 1 102 LEU HA 1 103 LEU MD1 1.800 . 6.500 4.957 4.214 5.440 . 0 0 "[ . 1 . 2]" 1
1025 1 84 PHE QB 1 102 LEU HA 1.800 . 6.000 5.071 4.614 5.473 . 0 0 "[ . 1 . 2]" 1
1026 1 102 LEU QB 1 102 LEU QD 1.800 . 8.500 1.885 1.673 2.057 0.127 4 0 "[ . 1 . 2]" 1
1027 1 84 PHE QB 1 102 LEU QB 1.800 . 7.000 4.534 3.404 5.416 . 0 0 "[ . 1 . 2]" 1
1028 1 102 LEU HA 1 103 LEU H 1.800 . 5.000 2.350 2.118 3.035 . 0 0 "[ . 1 . 2]" 1
1029 1 85 ALA HA 1 103 LEU H 1.800 . 5.000 2.336 2.079 2.807 . 0 0 "[ . 1 . 2]" 1
1030 1 102 LEU H 1 103 LEU H 1.800 . 5.000 4.386 4.085 4.624 . 0 0 "[ . 1 . 2]" 1
1031 1 103 LEU H 1 103 LEU QB 1.800 . 3.800 3.218 2.406 3.494 . 0 0 "[ . 1 . 2]" 1
1032 1 103 LEU H 1 103 LEU MD2 1.800 . 5.300 3.873 2.643 4.497 . 0 0 "[ . 1 . 2]" 1
1033 1 102 LEU QD 1 103 LEU H 1.800 . 6.300 3.587 2.609 4.371 . 0 0 "[ . 1 . 2]" 1
1034 1 103 LEU HA 1 103 LEU MD2 1.800 . 5.300 3.750 2.796 4.069 . 0 0 "[ . 1 . 2]" 1
1035 1 103 LEU HA 1 104 THR H 1.800 . 5.000 3.051 2.083 3.596 . 0 0 "[ . 1 . 2]" 1
1036 1 102 LEU QD 1 103 LEU HA 1.800 . 7.500 4.332 2.906 5.483 . 0 0 "[ . 1 . 2]" 1
1037 1 103 LEU MD2 1 104 THR H 1.800 . 5.300 3.819 2.086 4.323 . 0 0 "[ . 1 . 2]" 1
1038 1 103 LEU HB3 1 103 LEU MD2 1.800 . 4.300 2.167 1.914 3.077 . 0 0 "[ . 1 . 2]" 1
1039 1 104 THR H 1 105 LYS H 1.800 . 5.000 3.222 1.764 4.659 0.036 1 0 "[ . 1 . 2]" 1
1040 1 104 THR H 1 104 THR HA 1.800 . 2.800 2.909 2.834 2.974 0.174 3 0 "[ . 1 . 2]" 1
1041 1 104 THR H 1 104 THR HB 1.800 . 3.800 3.081 2.292 3.634 . 0 0 "[ . 1 . 2]" 1
1042 1 104 THR H 1 104 THR MG 1.800 . 5.300 2.564 1.804 3.998 . 0 0 "[ . 1 . 2]" 1
1043 1 103 LEU MD1 1 104 THR H 1.800 . 5.300 2.476 1.791 4.285 0.009 14 0 "[ . 1 . 2]" 1
1044 1 87 GLY QA 1 104 THR HA 1.800 . 6.000 4.591 3.422 5.218 . 0 0 "[ . 1 . 2]" 1
1045 1 103 LEU MD1 1 104 THR HB 1.800 . 6.500 4.314 2.658 5.375 . 0 0 "[ . 1 . 2]" 1
1046 1 63 LEU QD 1 104 THR HB 1.800 . 7.500 5.048 4.149 5.550 . 0 0 "[ . 1 . 2]" 1
1047 1 103 LEU HA 1 104 THR HB 1.800 . 5.000 4.564 4.042 5.070 0.070 5 0 "[ . 1 . 2]" 1
1048 1 105 LYS HA 1 105 LYS QG 1.800 . 4.800 2.661 1.971 3.456 . 0 0 "[ . 1 . 2]" 1
1049 1 104 THR HA 1 105 LYS HA 1.800 . 5.000 4.720 4.451 5.218 0.218 13 0 "[ . 1 . 2]" 1
1050 1 23 LEU MD2 1 107 PHE HZ 1.800 . 6.500 4.112 2.490 5.381 . 0 0 "[ . 1 . 2]" 1
1051 1 23 LEU MD1 1 107 PHE HZ 1.800 . 6.500 4.507 2.083 5.458 . 0 0 "[ . 1 . 2]" 1
1052 1 109 ASP H 1 110 SER H 1.800 . 5.000 2.887 2.640 4.145 . 0 0 "[ . 1 . 2]" 1
1053 1 108 LEU QD 1 109 ASP H 1.800 . 7.500 2.588 1.704 3.913 0.096 19 0 "[ . 1 . 2]" 1
1054 1 108 LEU HA 1 109 ASP H 1.800 . 5.000 3.322 2.697 3.572 . 0 0 "[ . 1 . 2]" 1
1055 1 110 SER H 1 111 GLU H 1.800 . 5.000 2.892 2.302 3.277 . 0 0 "[ . 1 . 2]" 1
1056 1 110 SER H 1 112 LEU QD 1.800 . 7.500 4.058 3.341 4.515 . 0 0 "[ . 1 . 2]" 1
1057 1 109 ASP HA 1 110 SER HA 1.800 . 5.000 4.871 4.530 5.002 0.002 1 0 "[ . 1 . 2]" 1
1058 1 110 SER HA 1 113 GLU QB 1.800 . 4.800 3.242 2.422 4.038 . 0 0 "[ . 1 . 2]" 1
1059 1 110 SER QB 1 114 ALA MB 1.800 . 7.500 4.055 2.077 4.892 . 0 0 "[ . 1 . 2]" 1
1060 1 110 SER QB 1 112 LEU HG 1.800 . 6.000 4.846 4.520 5.396 . 0 0 "[ . 1 . 2]" 1
1061 1 110 SER QB 1 112 LEU QD 1.800 . 7.300 4.662 4.282 4.927 . 0 0 "[ . 1 . 2]" 1
1062 1 108 LEU QD 1 110 SER QB 1.800 . 7.300 4.467 2.753 4.975 . 0 0 "[ . 1 . 2]" 1
1063 1 111 GLU H 1 112 LEU H 1.800 . 3.800 2.880 2.404 3.053 . 0 0 "[ . 1 . 2]" 1
1064 1 110 SER HA 1 111 GLU H 1.800 . 3.800 3.573 3.404 3.599 . 0 0 "[ . 1 . 2]" 1
1065 1 110 SER QB 1 111 GLU H 1.800 . 6.000 2.114 1.805 3.081 . 0 0 "[ . 1 . 2]" 1
1066 1 111 GLU H 1 112 LEU QD 1.800 . 7.500 3.887 3.576 4.394 . 0 0 "[ . 1 . 2]" 1
1067 1 111 GLU HA 1 114 ALA MB 1.800 . 5.300 2.280 1.871 2.940 . 0 0 "[ . 1 . 2]" 1
1068 1 110 SER HA 1 111 GLU QB 1.800 . 6.000 5.144 4.806 5.340 . 0 0 "[ . 1 . 2]" 1
1069 1 111 GLU QB 1 112 LEU HG 1.800 . 4.800 3.750 3.166 4.345 . 0 0 "[ . 1 . 2]" 1
1070 1 112 LEU H 1 113 GLU H 1.800 . 3.800 2.890 2.581 3.241 . 0 0 "[ . 1 . 2]" 1
1071 1 110 SER QB 1 112 LEU H 1.800 . 4.800 4.313 4.042 4.479 . 0 0 "[ . 1 . 2]" 1
1072 1 110 SER HA 1 112 LEU H 1.800 . 5.000 4.270 3.310 5.067 0.067 18 0 "[ . 1 . 2]" 1
1073 1 111 GLU QG 1 112 LEU H 1.800 . 4.800 3.910 1.808 4.446 . 0 0 "[ . 1 . 2]" 1
1074 1 111 GLU QB 1 112 LEU H 1.800 . 4.800 2.634 2.197 3.477 . 0 0 "[ . 1 . 2]" 1
1075 1 112 LEU H 1 112 LEU QB 1.800 . 3.800 2.712 2.522 2.989 . 0 0 "[ . 1 . 2]" 1
1076 1 112 LEU H 1 114 ALA MB 1.800 . 6.500 4.282 3.807 4.758 . 0 0 "[ . 1 . 2]" 1
1077 1 112 LEU H 1 112 LEU QD 1.800 . 7.500 2.271 1.787 2.901 0.013 7 0 "[ . 1 . 2]" 1
1078 1 112 LEU HA 1 112 LEU QD 1.800 . 7.500 2.458 1.798 3.411 0.002 1 0 "[ . 1 . 2]" 1
1079 1 112 LEU HA 1 114 ALA MB 1.800 . 6.500 4.709 4.395 5.036 . 0 0 "[ . 1 . 2]" 1
1080 1 112 LEU HA 1 116 LEU QD 1.800 . 6.300 3.798 2.480 4.590 . 0 0 "[ . 1 . 2]" 1
1081 1 112 LEU QB 1 116 LEU QD 1.800 . 8.500 3.334 2.105 4.636 . 0 0 "[ . 1 . 2]" 1
1082 1 112 LEU QB 1 112 LEU QD 1.800 . 8.500 1.882 1.642 1.984 0.158 8 0 "[ . 1 . 2]" 1
1083 1 112 LEU QB 1 113 GLU H 1.800 . 6.000 2.329 1.848 3.497 . 0 0 "[ . 1 . 2]" 1
1084 1 112 LEU QB 1 113 GLU QB 1.800 . 5.800 4.209 3.770 4.595 . 0 0 "[ . 1 . 2]" 1
1085 1 112 LEU QB 1 113 GLU HA 1.800 . 6.000 3.881 3.664 4.325 . 0 0 "[ . 1 . 2]" 1
1086 1 111 GLU H 1 112 LEU QB 1.800 . 6.000 5.173 4.664 5.477 . 0 0 "[ . 1 . 2]" 1
1087 1 110 SER QB 1 113 GLU H 1.800 . 6.000 5.056 4.574 5.470 . 0 0 "[ . 1 . 2]" 1
1088 1 110 SER HA 1 113 GLU H 1.800 . 5.000 3.725 2.979 4.806 . 0 0 "[ . 1 . 2]" 1
1089 1 113 GLU H 1 113 GLU QB 1.800 . 3.800 2.389 1.988 2.963 . 0 0 "[ . 1 . 2]" 1
1090 1 112 LEU HG 1 113 GLU H 1.800 . 5.000 3.015 1.834 3.793 . 0 0 "[ . 1 . 2]" 1
1091 1 112 LEU QD 1 113 GLU H 1.800 . 6.300 3.140 1.816 3.752 . 0 0 "[ . 1 . 2]" 1
1092 1 113 GLU H 1 114 ALA MB 1.800 . 6.500 4.195 3.851 4.561 . 0 0 "[ . 1 . 2]" 1
1093 1 113 GLU HA 1 113 GLU QG 1.800 . 6.000 2.437 1.985 3.307 . 0 0 "[ . 1 . 2]" 1
1094 1 112 LEU QD 1 113 GLU HA 1.800 . 7.500 4.552 2.573 5.227 . 0 0 "[ . 1 . 2]" 1
1095 1 101 PRO HA 1 113 GLU HA 1.800 . 5.000 4.694 3.930 5.265 0.265 19 0 "[ . 1 . 2]" 1
1096 1 113 GLU QB 1 113 GLU QG 1.800 . 7.000 2.083 2.044 2.110 . 0 0 "[ . 1 . 2]" 1
1097 1 113 GLU QB 1 114 ALA HA 1.800 . 6.000 3.881 3.670 4.482 . 0 0 "[ . 1 . 2]" 1
1098 1 101 PRO QB 1 113 GLU QB 1.800 . 7.000 3.019 2.094 4.678 . 0 0 "[ . 1 . 2]" 1
1099 1 102 LEU HA 1 113 GLU QB 1.800 . 6.500 5.940 5.676 6.086 . 0 0 "[ . 1 . 2]" 1
1100 1 112 LEU QD 1 113 GLU QG 1.800 . 8.500 3.598 1.988 4.741 . 0 0 "[ . 1 . 2]" 1
1101 1 113 GLU H 1 114 ALA H 1.800 . 3.800 2.710 2.366 3.173 . 0 0 "[ . 1 . 2]" 1
1102 1 113 GLU HA 1 114 ALA H 1.800 . 5.000 3.511 3.436 3.600 . 0 0 "[ . 1 . 2]" 1
1103 1 113 GLU QB 1 114 ALA H 1.800 . 3.800 2.681 1.866 3.272 . 0 0 "[ . 1 . 2]" 1
1104 1 113 GLU QG 1 114 ALA H 1.800 . 4.800 3.667 1.712 4.366 0.088 17 0 "[ . 1 . 2]" 1
1105 1 114 ALA H 1 115 VAL MG2 1.800 . 6.500 3.854 3.465 4.332 . 0 0 "[ . 1 . 2]" 1
1106 1 112 LEU HG 1 114 ALA H 1.800 . 5.000 4.910 4.192 5.188 0.188 11 0 "[ . 1 . 2]" 1
1107 1 114 ALA HA 1 117 VAL MG1 1.800 . 6.500 4.710 2.427 5.593 . 0 0 "[ . 1 . 2]" 1
1108 1 114 ALA HA 1 117 VAL HB 1.800 . 5.000 4.495 3.991 5.158 0.158 13 0 "[ . 1 . 2]" 1
1109 1 101 PRO HA 1 114 ALA HA 1.800 . 3.800 3.659 2.111 4.061 0.261 19 0 "[ . 1 . 2]" 1
1110 1 114 ALA HA 1 117 VAL MG2 1.800 . 6.500 4.259 2.419 5.376 . 0 0 "[ . 1 . 2]" 1
1111 1 101 PRO HA 1 114 ALA MB 1.800 . 6.500 4.173 3.004 5.313 . 0 0 "[ . 1 . 2]" 1
1112 1 102 LEU QD 1 114 ALA MB 1.800 . 9.300 5.443 4.734 5.822 . 0 0 "[ . 1 . 2]" 1
1113 1 114 ALA MB 1 115 VAL MG1 1.800 . 6.800 4.395 3.344 4.642 . 0 0 "[ . 1 . 2]" 1
1114 1 114 ALA MB 1 115 VAL MG2 1.800 . 8.000 2.379 2.195 2.670 . 0 0 "[ . 1 . 2]" 1
1115 1 114 ALA MB 1 115 VAL HB 1.800 . 6.500 4.536 4.284 5.082 . 0 0 "[ . 1 . 2]" 1
1116 1 111 GLU QG 1 114 ALA MB 1.800 . 8.000 3.607 2.805 4.344 . 0 0 "[ . 1 . 2]" 1
1117 1 115 VAL H 1 116 LEU H 1.800 . 3.800 2.145 1.937 2.371 . 0 0 "[ . 1 . 2]" 1
1118 1 112 LEU HA 1 115 VAL H 1.800 . 3.800 3.703 3.220 3.917 0.117 6 0 "[ . 1 . 2]" 1
1119 1 115 VAL H 1 115 VAL HB 1.800 . 3.800 2.772 2.546 3.472 . 0 0 "[ . 1 . 2]" 1
1120 1 115 VAL H 1 115 VAL QG 1.800 . 5.300 2.192 1.815 2.429 . 0 0 "[ . 1 . 2]" 1
1121 1 113 GLU HA 1 115 VAL H 1.800 . 5.000 4.054 3.745 4.364 . 0 0 "[ . 1 . 2]" 1
1122 1 114 ALA MB 1 115 VAL H 1.800 . 4.300 2.790 2.492 3.029 . 0 0 "[ . 1 . 2]" 1
1123 1 113 GLU QG 1 115 VAL H 1.800 . 6.000 5.256 4.208 5.523 . 0 0 "[ . 1 . 2]" 1
1124 1 115 VAL H 1 116 LEU QD 1.800 . 7.500 4.259 3.130 5.124 . 0 0 "[ . 1 . 2]" 1
1125 1 115 VAL HA 1 115 VAL MG1 1.800 . 6.500 2.169 1.944 2.314 . 0 0 "[ . 1 . 2]" 1
1126 1 115 VAL HA 1 116 LEU HA 1.800 . 5.000 4.748 4.613 5.033 0.033 17 0 "[ . 1 . 2]" 1
1127 1 115 VAL HA 1 115 VAL MG2 1.800 . 6.500 2.564 2.406 3.102 . 0 0 "[ . 1 . 2]" 1
1128 1 114 ALA MB 1 115 VAL HA 1.800 . 6.500 3.983 3.849 4.073 . 0 0 "[ . 1 . 2]" 1
1129 1 101 PRO QD 1 115 VAL HA 1.800 . 6.000 5.254 4.838 5.577 . 0 0 "[ . 1 . 2]" 1
1130 1 115 VAL HA 1 118 GLN QB 1.800 . 6.000 3.746 2.552 5.217 . 0 0 "[ . 1 . 2]" 1
1131 1 31 LEU MD2 1 115 VAL MG1 1.800 . 8.000 3.014 2.051 4.166 . 0 0 "[ . 1 . 2]" 1
1132 1 112 LEU QB 1 116 LEU H 1.800 . 6.000 4.727 4.224 5.273 . 0 0 "[ . 1 . 2]" 1
1133 1 113 GLU HA 1 116 LEU H 1.800 . 3.800 3.516 2.986 3.860 0.060 20 0 "[ . 1 . 2]" 1
1134 1 116 LEU H 1 116 LEU QD 1.800 . 6.300 2.963 1.817 3.698 . 0 0 "[ . 1 . 2]" 1
1135 1 116 LEU HA 1 119 ILE MD 1.800 . 6.500 5.013 2.146 5.573 . 0 0 "[ . 1 . 2]" 1
1136 1 116 LEU H 1 117 VAL H 1.800 . 3.800 2.498 2.233 2.848 . 0 0 "[ . 1 . 2]" 1
1137 1 113 GLU HA 1 117 VAL H 1.800 . 5.000 3.385 2.606 4.399 . 0 0 "[ . 1 . 2]" 1
1138 1 114 ALA HA 1 117 VAL H 1.800 . 5.000 4.607 4.251 5.029 0.029 18 0 "[ . 1 . 2]" 1
1139 1 117 VAL H 1 117 VAL HB 1.800 . 3.800 2.712 2.288 3.533 . 0 0 "[ . 1 . 2]" 1
1140 1 117 VAL H 1 117 VAL MG2 1.800 . 4.300 2.344 1.743 3.703 0.057 13 0 "[ . 1 . 2]" 1
1141 1 117 VAL H 1 117 VAL MG1 1.800 . 5.300 3.063 1.799 3.793 0.001 6 0 "[ . 1 . 2]" 1
1142 1 117 VAL H 1 117 VAL QG 1.800 . 6.300 1.924 1.653 2.720 0.147 11 0 "[ . 1 . 2]" 1
1143 1 116 LEU QD 1 117 VAL H 1.800 . 7.500 3.439 1.839 4.318 . 0 0 "[ . 1 . 2]" 1
1144 1 116 LEU HG 1 117 VAL H 1.800 . 5.000 4.223 1.804 5.155 0.155 17 0 "[ . 1 . 2]" 1
1145 1 117 VAL HA 1 117 VAL MG2 1.800 . 5.300 2.559 2.120 3.198 . 0 0 "[ . 1 . 2]" 1
1146 1 117 VAL HA 1 117 VAL HB 1.800 . 2.800 2.793 2.356 3.009 0.209 14 0 "[ . 1 . 2]" 1
1147 1 100 ILE HB 1 117 VAL HB 1.800 . 5.000 3.387 1.884 5.059 0.059 4 0 "[ . 1 . 2]" 1
1148 1 101 PRO QD 1 117 VAL HB 1.800 . 6.000 2.928 1.651 5.219 0.149 8 0 "[ . 1 . 2]" 1
1149 1 100 ILE QG 1 117 VAL HB 1.800 . 4.800 3.843 2.176 4.412 . 0 0 "[ . 1 . 2]" 1
1150 1 117 VAL HA 1 117 VAL MG1 1.800 . 4.300 2.463 2.087 3.205 . 0 0 "[ . 1 . 2]" 1
1151 1 116 LEU QD 1 117 VAL MG1 1.800 . 7.800 4.282 3.301 4.826 . 0 0 "[ . 1 . 2]" 1
1152 1 117 VAL MG1 1 118 GLN HA 1.800 . 6.500 4.163 3.210 5.481 . 0 0 "[ . 1 . 2]" 1
1153 1 117 VAL H 1 118 GLN H 1.800 . 3.800 2.649 2.079 3.077 . 0 0 "[ . 1 . 2]" 1
1154 1 118 GLN H 1 118 GLN QB 1.800 . 3.800 2.166 1.933 2.534 . 0 0 "[ . 1 . 2]" 1
1155 1 118 GLN H 1 120 SER H 1.800 . 5.000 4.654 3.783 5.154 0.154 12 0 "[ . 1 . 2]" 1
1156 1 118 GLN H 1 118 GLN QE 1.800 . 4.800 3.881 3.186 4.288 . 0 0 "[ . 1 . 2]" 1
1157 1 117 VAL QG 1 118 GLN H 1.800 . 6.300 2.774 1.712 3.529 0.088 9 0 "[ . 1 . 2]" 1
1158 1 118 GLN QB 1 119 ILE HA 1.800 . 6.000 4.341 3.762 4.891 . 0 0 "[ . 1 . 2]" 1
1159 1 117 VAL H 1 119 ILE H 1.800 . 5.000 4.519 4.058 5.176 0.176 17 0 "[ . 1 . 2]" 1
1160 1 118 GLN H 1 119 ILE H 1.800 . 3.800 2.944 2.393 3.466 . 0 0 "[ . 1 . 2]" 1
1161 1 118 GLN HA 1 119 ILE H 1.800 . 5.000 3.121 2.474 3.558 . 0 0 "[ . 1 . 2]" 1
1162 1 118 GLN QB 1 119 ILE H 1.800 . 4.800 3.374 1.953 3.928 . 0 0 "[ . 1 . 2]" 1
1163 1 119 ILE H 1 119 ILE QG 1.800 . 4.800 3.997 2.249 4.385 . 0 0 "[ . 1 . 2]" 1
1164 1 119 ILE H 1 119 ILE MG 1.800 . 5.300 2.540 1.778 3.742 0.022 11 0 "[ . 1 . 2]" 1
1165 1 119 ILE H 1 119 ILE MD 1.800 . 5.300 3.904 1.857 4.566 . 0 0 "[ . 1 . 2]" 1
1166 1 119 ILE HA 1 119 ILE MD 1.800 . 6.500 2.692 1.777 3.797 0.023 13 0 "[ . 1 . 2]" 1
1167 1 119 ILE HA 1 119 ILE MG 1.800 . 6.500 3.112 2.282 3.215 . 0 0 "[ . 1 . 2]" 1
1168 1 119 ILE HA 1 119 ILE QG 1.800 . 3.800 2.502 2.177 3.037 . 0 0 "[ . 1 . 2]" 1
1169 1 119 ILE HA 1 119 ILE HB 1.800 . 2.800 2.574 2.255 2.980 0.180 1 0 "[ . 1 . 2]" 1
1170 1 119 ILE HB 1 119 ILE MD 1.800 . 4.300 3.054 2.095 3.197 . 0 0 "[ . 1 . 2]" 1
1171 1 118 GLN HA 1 119 ILE HB 1.800 . 5.000 5.031 4.694 5.236 0.236 9 0 "[ . 1 . 2]" 1
1172 1 120 SER H 1 121 LYS H 1.800 . 5.000 3.202 2.437 4.433 . 0 0 "[ . 1 . 2]" 1
1173 1 120 SER H 1 120 SER QB 1.800 . 3.800 2.711 2.013 3.461 . 0 0 "[ . 1 . 2]" 1
1174 1 119 ILE QG 1 120 SER H 1.800 . 6.000 4.478 3.214 5.048 . 0 0 "[ . 1 . 2]" 1
1175 1 119 ILE MG 1 120 SER H 1.800 . 5.300 2.818 1.844 4.153 . 0 0 "[ . 1 . 2]" 1
1176 1 119 ILE MD 1 120 SER H 1.800 . 5.300 3.640 1.893 4.308 . 0 0 "[ . 1 . 2]" 1
1177 1 120 SER H 1 121 LYS HB2 1.800 . 5.000 4.480 3.281 5.048 0.048 18 0 "[ . 1 . 2]" 1
1178 1 119 ILE MD 1 120 SER HA 1.800 . 6.500 4.129 2.994 5.310 . 0 0 "[ . 1 . 2]" 1
1179 1 121 LYS H 1 122 GLU H 1.800 . 5.000 3.298 1.873 4.655 . 0 0 "[ . 1 . 2]" 1
1180 1 120 SER QB 1 121 LYS H 1.800 . 5.000 2.700 1.758 3.974 0.042 12 0 "[ . 1 . 2]" 1
1181 1 121 LYS H 1 121 LYS HB2 1.800 . 3.800 2.837 2.042 3.400 . 0 0 "[ . 1 . 2]" 1
1182 1 121 LYS H 1 121 LYS QG 1.800 . 4.800 3.570 2.113 4.337 . 0 0 "[ . 1 . 2]" 1
1183 1 119 ILE MG 1 121 LYS H 1.800 . 6.500 4.005 2.641 5.446 . 0 0 "[ . 1 . 2]" 1
1184 1 120 SER HA 1 121 LYS H 1.800 . 5.300 3.307 2.287 3.602 . 0 0 "[ . 1 . 2]" 1
1185 1 121 LYS H 1 123 VAL HA 1.800 . 5.000 4.950 4.141 5.245 0.245 3 0 "[ . 1 . 2]" 1
1186 1 120 SER QB 1 121 LYS HA 1.800 . 4.800 4.101 3.794 4.316 . 0 0 "[ . 1 . 2]" 1
1187 1 121 LYS HA 1 121 LYS QG 1.800 . 3.800 2.399 1.933 2.926 . 0 0 "[ . 1 . 2]" 1
1188 1 121 LYS HA 1 122 GLU QG 1.800 . 4.800 4.118 3.687 4.510 . 0 0 "[ . 1 . 2]" 1
1189 1 119 ILE MD 1 121 LYS HB2 1.800 . 4.500 3.609 3.453 3.768 . 0 0 "[ . 1 . 2]" 1
1190 1 122 GLU H 1 123 VAL HA 1.800 . 5.000 4.555 3.755 5.180 0.180 8 0 "[ . 1 . 2]" 1
1191 1 121 LYS QG 1 122 GLU H 1.800 . 6.000 4.023 1.996 4.833 . 0 0 "[ . 1 . 2]" 1
1192 1 122 GLU H 1 123 VAL QG 1.800 . 7.500 3.852 3.230 4.889 . 0 0 "[ . 1 . 2]" 1
1193 1 121 LYS HB3 1 122 GLU H 1.800 . 5.000 3.835 2.263 4.451 . 0 0 "[ . 1 . 2]" 1
1194 1 122 GLU H 1 123 VAL H 1.800 . 2.800 2.369 1.764 2.818 0.036 4 0 "[ . 1 . 2]" 1
1195 1 122 GLU HA 1 123 VAL H 1.800 . 3.800 3.065 2.884 3.544 . 0 0 "[ . 1 . 2]" 1
1196 1 120 SER QB 1 123 VAL H 1.800 . 5.000 3.784 2.571 4.559 . 0 0 "[ . 1 . 2]" 1
1197 1 123 VAL HA 1 123 VAL MG1 1.800 . 6.500 2.545 1.898 3.183 . 0 0 "[ . 1 . 2]" 1
1198 1 122 GLU HA 1 123 VAL HA 1.800 . 5.000 5.002 4.740 5.257 0.257 11 0 "[ . 1 . 2]" 1
1199 1 123 VAL HA 1 123 VAL HB 1.800 . 2.800 2.721 2.368 3.005 0.205 19 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 367
_Distance_constraint_stats_list.Viol_total 563.858
_Distance_constraint_stats_list.Viol_max 0.271
_Distance_constraint_stats_list.Viol_rms 0.0472
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0220
_Distance_constraint_stats_list.Viol_average_violations_only 0.0768
_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 9 LEU 0.511 0.200 7 0 "[ . 1 . 2]"
1 10 ARG 0.802 0.104 1 0 "[ . 1 . 2]"
1 11 VAL 0.573 0.085 15 0 "[ . 1 . 2]"
1 12 LEU 0.257 0.074 10 0 "[ . 1 . 2]"
1 13 VAL 0.596 0.103 4 0 "[ . 1 . 2]"
1 14 VAL 2.752 0.219 2 0 "[ . 1 . 2]"
1 15 GLU 2.123 0.271 10 0 "[ . 1 . 2]"
1 21 ALA 0.155 0.051 8 0 "[ . 1 . 2]"
1 24 ILE 0.150 0.069 14 0 "[ . 1 . 2]"
1 25 GLU 0.366 0.051 8 0 "[ . 1 . 2]"
1 27 THR 0.105 0.045 7 0 "[ . 1 . 2]"
1 28 LEU 0.150 0.069 14 0 "[ . 1 . 2]"
1 29 CYS 0.210 0.041 7 0 "[ . 1 . 2]"
1 31 LEU 0.105 0.045 7 0 "[ . 1 . 2]"
1 34 GLU 0.511 0.200 7 0 "[ . 1 . 2]"
1 37 ALA 1.169 0.103 4 0 "[ . 1 . 2]"
1 39 ALA 2.123 0.271 10 0 "[ . 1 . 2]"
1 41 ARG 0.043 0.028 13 0 "[ . 1 . 2]"
1 42 MET 0.054 0.024 3 0 "[ . 1 . 2]"
1 44 GLU 0.011 0.007 10 0 "[ . 1 . 2]"
1 45 ALA 0.043 0.028 13 0 "[ . 1 . 2]"
1 46 LEU 0.054 0.024 3 0 "[ . 1 . 2]"
1 48 ILE 0.011 0.007 10 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ILE 1.019 0.104 1 0 "[ . 1 . 2]"
1 57 ALA 2.677 0.234 20 0 "[ . 1 . 2]"
1 58 ILE 0.388 0.076 5 0 "[ . 1 . 2]"
1 60 ASP 2.404 0.219 2 0 "[ . 1 . 2]"
1 68 SER 0.618 0.157 16 0 "[ . 1 . 2]"
1 69 TYR 4.245 0.169 8 0 "[ . 1 . 2]"
1 70 PRO 0.063 0.029 2 0 "[ . 1 . 2]"
1 71 VAL 2.099 0.107 13 0 "[ . 1 . 2]"
1 72 ALA 0.891 0.157 16 0 "[ . 1 . 2]"
1 73 ASP 4.759 0.169 8 0 "[ . 1 . 2]"
1 74 ILE 0.251 0.070 20 0 "[ . 1 . 2]"
1 75 LEU 2.099 0.107 13 0 "[ . 1 . 2]"
1 76 ALA 0.273 0.057 9 0 "[ . 1 . 2]"
1 77 GLU 0.515 0.092 7 0 "[ . 1 . 2]"
1 78 ARG 0.188 0.070 20 0 "[ . 1 . 2]"
1 83 ILE 2.677 0.234 20 0 "[ . 1 . 2]"
1 84 PHE 5.066 0.258 14 0 "[ . 1 . 2]"
1 86 THR 0.568 0.154 2 0 "[ . 1 . 2]"
1 103 LEU 5.634 0.258 14 0 "[ . 1 . 2]"
1 108 LEU 1.482 0.163 19 0 "[ . 1 . 2]"
1 111 GLU 0.990 0.197 8 0 "[ . 1 . 2]"
1 112 LEU 1.483 0.163 19 0 "[ . 1 . 2]"
1 113 GLU 1.064 0.176 11 0 "[ . 1 . 2]"
1 115 VAL 0.990 0.197 8 0 "[ . 1 . 2]"
1 116 LEU 0.001 0.001 7 0 "[ . 1 . 2]"
1 117 VAL 1.064 0.176 11 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 12 LEU H 1 56 ILE O 1.500 . 2.500 2.361 2.048 2.574 0.074 10 0 "[ . 1 . 2]" 2
2 1 12 LEU N 1 56 ILE O 2.500 2.500 3.500 3.149 2.768 3.403 . 0 0 "[ . 1 . 2]" 2
3 1 13 VAL H 1 37 ALA O 1.500 . 2.500 2.488 2.256 2.603 0.103 4 0 "[ . 1 . 2]" 2
4 1 13 VAL N 1 37 ALA O 2.500 2.500 3.500 3.175 2.855 3.388 . 0 0 "[ . 1 . 2]" 2
5 1 14 VAL H 1 58 ILE O 1.500 . 2.500 1.768 1.535 2.056 . 0 0 "[ . 1 . 2]" 2
6 1 14 VAL N 1 58 ILE O 2.500 2.500 3.500 2.560 2.424 2.816 0.076 5 0 "[ . 1 . 2]" 2
7 1 15 GLU H 1 39 ALA O 1.500 . 2.500 2.584 2.176 2.771 0.271 10 0 "[ . 1 . 2]" 2
8 1 15 GLU N 1 39 ALA O 2.500 2.500 3.500 3.272 2.812 3.487 . 0 0 "[ . 1 . 2]" 2
9 1 9 LEU O 1 34 GLU H 1.500 . 2.500 2.053 1.567 2.700 0.200 7 0 "[ . 1 . 2]" 2
10 1 9 LEU O 1 34 GLU N 2.500 2.500 3.500 2.915 2.419 3.522 0.081 3 0 "[ . 1 . 2]" 2
11 1 11 VAL O 1 37 ALA H 1.500 . 2.500 2.477 2.149 2.585 0.085 15 0 "[ . 1 . 2]" 2
12 1 11 VAL O 1 37 ALA N 2.500 2.500 3.500 3.398 2.978 3.555 0.055 15 0 "[ . 1 . 2]" 2
13 1 10 ARG O 1 56 ILE H 1.500 . 2.500 2.522 2.271 2.604 0.104 1 0 "[ . 1 . 2]" 2
14 1 10 ARG O 1 56 ILE N 2.500 2.500 3.500 3.319 3.126 3.482 . 0 0 "[ . 1 . 2]" 2
15 1 57 ALA H 1 83 ILE O 1.500 . 2.500 2.633 2.508 2.734 0.234 20 0 "[ . 1 . 2]" 2
16 1 57 ALA N 1 83 ILE O 2.500 2.500 3.500 3.401 3.283 3.511 0.011 20 0 "[ . 1 . 2]" 2
17 1 12 LEU O 1 58 ILE H 1.500 . 2.500 1.912 1.534 2.489 . 0 0 "[ . 1 . 2]" 2
18 1 12 LEU O 1 58 ILE N 2.500 2.500 3.500 2.805 2.460 3.280 0.040 6 0 "[ . 1 . 2]" 2
19 1 14 VAL O 1 60 ASP H 1.500 . 2.500 2.620 2.552 2.719 0.219 2 0 "[ . 1 . 2]" 2
20 1 14 VAL O 1 60 ASP N 2.500 2.500 3.500 3.377 3.307 3.478 . 0 0 "[ . 1 . 2]" 2
21 1 86 THR H 1 103 LEU O 1.500 . 2.500 2.160 1.663 2.654 0.154 2 0 "[ . 1 . 2]" 2
22 1 86 THR N 1 103 LEU O 2.500 2.500 3.500 2.847 2.409 3.384 0.091 19 0 "[ . 1 . 2]" 2
23 1 84 PHE O 1 103 LEU H 1.500 . 2.500 2.707 2.612 2.758 0.258 14 0 "[ . 1 . 2]" 2
24 1 84 PHE O 1 103 LEU N 2.500 2.500 3.500 3.481 3.211 3.669 0.169 3 0 "[ . 1 . 2]" 2
25 1 21 ALA O 1 25 GLU H 1.500 . 2.500 2.301 1.711 2.551 0.051 8 0 "[ . 1 . 2]" 2
26 1 21 ALA O 1 25 GLU N 2.500 2.500 3.500 3.233 2.668 3.485 . 0 0 "[ . 1 . 2]" 2
27 1 24 ILE O 1 28 LEU H 1.500 . 2.500 2.275 1.815 2.569 0.069 14 0 "[ . 1 . 2]" 2
28 1 24 ILE O 1 28 LEU N 2.500 2.500 3.500 3.210 2.695 3.509 0.009 14 0 "[ . 1 . 2]" 2
29 1 25 GLU O 1 29 CYS H 1.500 . 2.500 2.414 2.017 2.541 0.041 7 0 "[ . 1 . 2]" 2
30 1 25 GLU O 1 29 CYS N 2.500 2.500 3.500 3.228 2.930 3.405 . 0 0 "[ . 1 . 2]" 2
31 1 27 THR O 1 31 LEU H 1.500 . 2.500 2.143 1.667 2.545 0.045 7 0 "[ . 1 . 2]" 2
32 1 27 THR O 1 31 LEU N 2.500 2.500 3.500 3.039 2.591 3.481 . 0 0 "[ . 1 . 2]" 2
33 1 41 ARG O 1 45 ALA H 1.500 . 2.500 2.118 1.768 2.528 0.028 13 0 "[ . 1 . 2]" 2
34 1 41 ARG O 1 45 ALA N 2.500 2.500 3.500 3.026 2.655 3.374 . 0 0 "[ . 1 . 2]" 2
35 1 42 MET O 1 46 LEU H 1.500 . 2.500 2.259 1.785 2.524 0.024 3 0 "[ . 1 . 2]" 2
36 1 42 MET O 1 46 LEU N 2.500 2.500 3.500 3.145 2.569 3.477 . 0 0 "[ . 1 . 2]" 2
37 1 44 GLU O 1 48 ILE H 1.500 . 2.500 2.251 1.730 2.507 0.007 10 0 "[ . 1 . 2]" 2
38 1 44 GLU O 1 48 ILE N 2.500 2.500 3.500 3.110 2.679 3.361 . 0 0 "[ . 1 . 2]" 2
39 1 45 ALA O 1 49 ALA H 1.500 . 2.500 2.136 1.702 2.471 . 0 0 "[ . 1 . 2]" 2
40 1 45 ALA O 1 49 ALA N 2.500 2.500 3.500 2.816 2.512 3.275 . 0 0 "[ . 1 . 2]" 2
41 1 46 LEU O 1 50 ARG H 1.500 . 2.500 2.024 1.545 2.422 . 0 0 "[ . 1 . 2]" 2
42 1 46 LEU O 1 50 ARG N 2.500 2.500 3.500 2.931 2.503 3.315 . 0 0 "[ . 1 . 2]" 2
43 1 68 SER O 1 72 ALA H 1.500 . 2.500 2.483 2.254 2.657 0.157 16 0 "[ . 1 . 2]" 2
44 1 68 SER O 1 72 ALA N 2.500 2.500 3.500 3.182 2.931 3.367 . 0 0 "[ . 1 . 2]" 2
45 1 69 TYR O 1 73 ASP H 1.500 . 2.500 2.641 2.601 2.669 0.169 8 0 "[ . 1 . 2]" 2
46 1 69 TYR O 1 73 ASP N 2.500 2.500 3.500 3.571 3.523 3.614 0.114 8 0 "[ . 1 . 2]" 2
47 1 70 PRO O 1 74 ILE H 1.500 . 2.500 2.251 1.943 2.529 0.029 2 0 "[ . 1 . 2]" 2
48 1 70 PRO O 1 74 ILE N 2.500 2.500 3.500 3.127 2.831 3.426 . 0 0 "[ . 1 . 2]" 2
49 1 71 VAL O 1 75 LEU H 1.500 . 2.500 1.465 1.418 1.518 0.082 3 0 "[ . 1 . 2]" 2
50 1 71 VAL O 1 75 LEU N 2.500 2.500 3.500 2.432 2.393 2.495 0.107 13 0 "[ . 1 . 2]" 2
51 1 72 ALA O 1 76 ALA H 1.500 . 2.500 2.429 2.023 2.557 0.057 9 0 "[ . 1 . 2]" 2
52 1 72 ALA O 1 76 ALA N 2.500 2.500 3.500 3.134 2.969 3.284 . 0 0 "[ . 1 . 2]" 2
53 1 73 ASP O 1 77 GLU H 1.500 . 2.500 2.487 2.285 2.592 0.092 7 0 "[ . 1 . 2]" 2
54 1 73 ASP O 1 77 GLU N 2.500 2.500 3.500 3.299 3.085 3.501 0.001 13 0 "[ . 1 . 2]" 2
55 1 74 ILE O 1 78 ARG H 1.500 . 2.500 2.301 1.899 2.570 0.070 20 0 "[ . 1 . 2]" 2
56 1 74 ILE O 1 78 ARG N 2.500 2.500 3.500 3.151 2.865 3.416 . 0 0 "[ . 1 . 2]" 2
57 1 108 LEU O 1 112 LEU H 1.500 . 2.500 2.542 2.270 2.663 0.163 19 0 "[ . 1 . 2]" 2
58 1 108 LEU O 1 112 LEU N 2.500 2.500 3.500 3.472 3.238 3.600 0.100 8 0 "[ . 1 . 2]" 2
59 1 111 GLU O 1 115 VAL H 1.500 . 2.500 2.508 1.941 2.697 0.197 8 0 "[ . 1 . 2]" 2
60 1 111 GLU O 1 115 VAL N 2.500 2.500 3.500 3.238 2.704 3.503 0.003 17 0 "[ . 1 . 2]" 2
61 1 112 LEU O 1 116 LEU H 1.500 . 2.500 1.965 1.555 2.446 . 0 0 "[ . 1 . 2]" 2
62 1 112 LEU O 1 116 LEU N 2.500 2.500 3.500 2.894 2.499 3.340 0.001 7 0 "[ . 1 . 2]" 2
63 1 113 GLU O 1 117 VAL H 1.500 . 2.500 2.391 1.735 2.676 0.176 11 0 "[ . 1 . 2]" 2
64 1 113 GLU O 1 117 VAL N 2.500 2.500 3.500 3.243 2.714 3.545 0.045 11 0 "[ . 1 . 2]" 2
stop_
save_