NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392313 |
1pun   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pun
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 1367
_Distance_constraint_stats_list.Viol_count 3422
_Distance_constraint_stats_list.Viol_total 4104.794
_Distance_constraint_stats_list.Viol_max 0.269
_Distance_constraint_stats_list.Viol_rms 0.0273
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0600
_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 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LYS 0.528 0.050 10 0 "[ . 1 . 2]"
1 4 LEU 1.141 0.074 9 0 "[ . 1 . 2]"
1 5 GLN 6.312 0.114 2 0 "[ . 1 . 2]"
1 6 ILE 2.278 0.093 10 0 "[ . 1 . 2]"
1 7 ALA 8.636 0.200 5 0 "[ . 1 . 2]"
1 8 VAL 2.565 0.135 9 0 "[ . 1 . 2]"
1 9 GLY 1.795 0.135 9 0 "[ . 1 . 2]"
1 10 ILE 3.680 0.269 19 0 "[ . 1 . 2]"
1 11 ILE 4.842 0.221 11 0 "[ . 1 . 2]"
1 12 ARG 4.406 0.221 11 0 "[ . 1 . 2]"
1 13 ASN 5.694 0.255 12 0 "[ . 1 . 2]"
1 14 GLU 10.055 0.255 12 0 "[ . 1 . 2]"
1 15 ASN 6.729 0.206 9 0 "[ . 1 . 2]"
1 16 ASN 3.073 0.178 10 0 "[ . 1 . 2]"
1 17 GLU 2.359 0.178 10 0 "[ . 1 . 2]"
1 18 ILE 5.484 0.255 11 0 "[ . 1 . 2]"
1 19 PHE 0.788 0.066 19 0 "[ . 1 . 2]"
1 20 ILE 4.646 0.255 14 0 "[ . 1 . 2]"
1 21 THR 0.046 0.024 16 0 "[ . 1 . 2]"
1 22 ARG 0.206 0.039 15 0 "[ . 1 . 2]"
1 23 ARG 1.039 0.171 1 0 "[ . 1 . 2]"
1 24 ALA 0.749 0.171 1 0 "[ . 1 . 2]"
1 25 ALA 0.026 0.021 12 0 "[ . 1 . 2]"
1 26 ASP 1.573 0.062 11 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.072 0.025 2 0 "[ . 1 . 2]"
1 31 ASN 0.044 0.015 2 0 "[ . 1 . 2]"
1 32 LYS 2.953 0.128 9 0 "[ . 1 . 2]"
1 33 LEU 4.461 0.128 9 0 "[ . 1 . 2]"
1 34 GLU 1.335 0.098 7 0 "[ . 1 . 2]"
1 35 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PRO 1.191 0.092 16 0 "[ . 1 . 2]"
1 37 GLY 4.445 0.190 16 0 "[ . 1 . 2]"
1 38 GLY 7.478 0.190 16 0 "[ . 1 . 2]"
1 39 LYS 3.699 0.104 17 0 "[ . 1 . 2]"
1 40 ILE 11.208 0.200 5 0 "[ . 1 . 2]"
1 41 GLU 8.174 0.178 13 0 "[ . 1 . 2]"
1 42 MET 2.431 0.124 11 0 "[ . 1 . 2]"
1 43 GLY 3.319 0.188 11 0 "[ . 1 . 2]"
1 44 GLU 4.116 0.188 11 0 "[ . 1 . 2]"
1 45 THR 2.788 0.147 3 0 "[ . 1 . 2]"
1 46 PRO 0.998 0.069 11 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 2.855 0.147 3 0 "[ . 1 . 2]"
1 49 ALA 0.238 0.051 5 0 "[ . 1 . 2]"
1 50 VAL 3.982 0.184 20 0 "[ . 1 . 2]"
1 51 VAL 2.899 0.097 16 0 "[ . 1 . 2]"
1 52 ARG 3.375 0.184 20 0 "[ . 1 . 2]"
1 53 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 6.700 0.176 13 0 "[ . 1 . 2]"
1 55 GLN 3.434 0.176 13 0 "[ . 1 . 2]"
1 56 GLU 0.986 0.101 14 0 "[ . 1 . 2]"
1 57 GLU 1.976 0.101 14 0 "[ . 1 . 2]"
1 58 VAL 4.995 0.186 5 0 "[ . 1 . 2]"
1 59 GLY 4.333 0.192 3 0 "[ . 1 . 2]"
1 60 ILE 9.574 0.192 3 0 "[ . 1 . 2]"
1 61 THR 6.809 0.231 14 0 "[ . 1 . 2]"
1 62 PRO 2.207 0.108 6 0 "[ . 1 . 2]"
1 63 GLN 1.295 0.150 17 0 "[ . 1 . 2]"
1 64 HIS 5.545 0.193 14 0 "[ . 1 . 2]"
1 65 PHE 7.541 0.199 8 0 "[ . 1 . 2]"
1 66 SER 3.719 0.174 8 0 "[ . 1 . 2]"
1 67 LEU 0.099 0.017 13 0 "[ . 1 . 2]"
1 68 PHE 2.903 0.147 20 0 "[ . 1 . 2]"
1 69 GLU 0.213 0.045 16 0 "[ . 1 . 2]"
1 70 LYS 1.848 0.101 12 0 "[ . 1 . 2]"
1 71 LEU 2.309 0.259 10 0 "[ . 1 . 2]"
1 72 GLU 4.855 0.195 5 0 "[ . 1 . 2]"
1 73 TYR 0.055 0.043 11 0 "[ . 1 . 2]"
1 74 GLU 2.241 0.070 6 0 "[ . 1 . 2]"
1 75 PHE 3.556 0.161 7 0 "[ . 1 . 2]"
1 76 PRO 3.018 0.164 14 0 "[ . 1 . 2]"
1 77 ASP 2.718 0.164 14 0 "[ . 1 . 2]"
1 78 ARG 1.024 0.050 10 0 "[ . 1 . 2]"
1 79 HIS 2.814 0.074 9 0 "[ . 1 . 2]"
1 80 ILE 3.473 0.177 19 0 "[ . 1 . 2]"
1 81 THR 4.573 0.184 13 0 "[ . 1 . 2]"
1 82 LEU 0.399 0.056 7 0 "[ . 1 . 2]"
1 83 TRP 1.344 0.071 16 0 "[ . 1 . 2]"
1 84 PHE 3.810 0.126 7 0 "[ . 1 . 2]"
1 85 TRP 0.683 0.060 2 0 "[ . 1 . 2]"
1 86 LEU 4.202 0.147 20 0 "[ . 1 . 2]"
1 87 VAL 7.899 0.239 18 0 "[ . 1 . 2]"
1 88 GLU 6.657 0.239 18 0 "[ . 1 . 2]"
1 89 ARG 4.467 0.193 14 0 "[ . 1 . 2]"
1 90 TRP 3.148 0.112 19 0 "[ . 1 . 2]"
1 91 GLU 2.100 0.231 14 0 "[ . 1 . 2]"
1 92 GLY 0.084 0.047 16 0 "[ . 1 . 2]"
1 93 GLU 0.241 0.047 16 0 "[ . 1 . 2]"
1 94 PRO 1.679 0.092 14 0 "[ . 1 . 2]"
1 95 TRP 8.117 0.186 5 0 "[ . 1 . 2]"
1 96 GLY 0.045 0.040 17 0 "[ . 1 . 2]"
1 97 LYS 0.003 0.003 17 0 "[ . 1 . 2]"
1 98 GLU 1.436 0.076 15 0 "[ . 1 . 2]"
1 99 GLY 0.010 0.008 5 0 "[ . 1 . 2]"
1 100 GLN 3.099 0.195 20 0 "[ . 1 . 2]"
1 101 PRO 3.332 0.195 20 0 "[ . 1 . 2]"
1 102 GLY 0.046 0.024 16 0 "[ . 1 . 2]"
1 103 GLU 0.162 0.043 15 0 "[ . 1 . 2]"
1 104 TRP 1.860 0.176 15 0 "[ . 1 . 2]"
1 105 MET 1.715 0.141 9 0 "[ . 1 . 2]"
1 106 SER 0.096 0.052 12 0 "[ . 1 . 2]"
1 107 LEU 1.147 0.085 18 0 "[ . 1 . 2]"
1 108 VAL 0.743 0.087 16 0 "[ . 1 . 2]"
1 109 GLY 2.746 0.099 20 0 "[ . 1 . 2]"
1 110 LEU 3.404 0.147 13 0 "[ . 1 . 2]"
1 111 ASN 2.585 0.153 13 0 "[ . 1 . 2]"
1 112 ALA 2.084 0.082 1 0 "[ . 1 . 2]"
1 113 ASP 1.265 0.061 10 0 "[ . 1 . 2]"
1 114 ASP 2.168 0.083 14 0 "[ . 1 . 2]"
1 115 PHE 4.700 0.153 13 0 "[ . 1 . 2]"
1 117 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ALA 1.748 0.125 4 0 "[ . 1 . 2]"
1 119 ASN 2.584 0.125 4 0 "[ . 1 . 2]"
1 120 GLU 1.379 0.130 2 0 "[ . 1 . 2]"
1 121 PRO 2.458 0.125 9 0 "[ . 1 . 2]"
1 122 VAL 5.395 0.125 9 0 "[ . 1 . 2]"
1 123 ILE 5.191 0.126 7 0 "[ . 1 . 2]"
1 124 ALA 0.364 0.037 16 0 "[ . 1 . 2]"
1 125 LYS 5.807 0.191 5 0 "[ . 1 . 2]"
1 126 LEU 4.727 0.191 5 0 "[ . 1 . 2]"
1 127 LYS 7.775 0.190 1 0 "[ . 1 . 2]"
1 128 ARG 1.811 0.067 9 0 "[ . 1 . 2]"
1 129 LEU 6.163 0.190 1 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 3 LYS HA 1 4 LEU H 1.800 . 2.800 2.284 2.182 2.385 . 0 0 "[ . 1 . 2]" 1
2 1 4 LEU HA 1 5 GLN H 1.800 . 2.800 2.202 2.171 2.237 . 0 0 "[ . 1 . 2]" 1
3 1 5 GLN HA 1 6 ILE H 1.800 . 2.800 2.284 2.193 2.345 . 0 0 "[ . 1 . 2]" 1
4 1 6 ILE HA 1 7 ALA H 1.800 . 2.800 2.328 2.311 2.343 . 0 0 "[ . 1 . 2]" 1
5 1 7 ALA HA 1 8 VAL H 1.800 . 2.800 2.265 2.185 2.379 . 0 0 "[ . 1 . 2]" 1
6 1 8 VAL HA 1 9 GLY H 1.800 . 2.800 2.300 2.165 2.361 . 0 0 "[ . 1 . 2]" 1
7 1 9 GLY HA3 1 10 ILE H 1.800 . 3.300 2.943 2.815 3.172 . 0 0 "[ . 1 . 2]" 1
8 1 9 GLY HA2 1 10 ILE H 1.800 . 3.300 2.182 2.114 2.252 . 0 0 "[ . 1 . 2]" 1
9 1 10 ILE HA 1 11 ILE H 1.800 . 2.800 2.214 2.191 2.237 . 0 0 "[ . 1 . 2]" 1
10 1 11 ILE HA 1 12 ARG H 1.800 . 2.800 2.055 1.976 2.111 . 0 0 "[ . 1 . 2]" 1
11 1 12 ARG HA 1 13 ASN H 1.800 . 2.800 2.296 1.928 2.393 . 0 0 "[ . 1 . 2]" 1
12 1 17 GLU HA 1 18 ILE H 1.800 . 2.800 2.230 2.086 2.364 . 0 0 "[ . 1 . 2]" 1
13 1 18 ILE HA 1 19 PHE H 1.800 . 2.800 2.064 2.014 2.100 . 0 0 "[ . 1 . 2]" 1
14 1 19 PHE HA 1 20 ILE H 1.800 . 2.800 2.152 2.059 2.245 . 0 0 "[ . 1 . 2]" 1
15 1 20 ILE HA 1 21 THR H 1.800 . 2.800 2.283 2.189 2.451 . 0 0 "[ . 1 . 2]" 1
16 1 21 THR HA 1 22 ARG H 1.800 . 5.000 2.170 2.133 2.349 . 0 0 "[ . 1 . 2]" 1
17 1 22 ARG HA 1 23 ARG H 1.800 . 3.800 2.189 2.129 2.281 . 0 0 "[ . 1 . 2]" 1
18 1 69 GLU HA 1 70 LYS H 1.800 . 2.800 2.376 2.160 2.468 . 0 0 "[ . 1 . 2]" 1
19 1 70 LYS HA 1 71 LEU H 1.800 . 2.800 2.237 2.220 2.270 . 0 0 "[ . 1 . 2]" 1
20 1 71 LEU HA 1 72 GLU H 1.800 . 2.800 2.023 2.009 2.040 . 0 0 "[ . 1 . 2]" 1
21 1 72 GLU HA 1 73 TYR H 1.800 . 2.800 2.119 2.095 2.142 . 0 0 "[ . 1 . 2]" 1
22 1 73 TYR HA 1 74 GLU H 1.800 . 2.800 2.188 2.163 2.220 . 0 0 "[ . 1 . 2]" 1
23 1 74 GLU HA 1 75 PHE H 1.800 . 2.800 2.104 2.086 2.136 . 0 0 "[ . 1 . 2]" 1
24 1 78 ARG HA 1 79 HIS H 1.800 . 2.800 2.251 2.165 2.316 . 0 0 "[ . 1 . 2]" 1
25 1 79 HIS HA 1 80 ILE H 1.800 . 2.800 2.265 2.197 2.341 . 0 0 "[ . 1 . 2]" 1
26 1 80 ILE HA 1 81 THR H 1.800 . 2.800 2.238 2.211 2.282 . 0 0 "[ . 1 . 2]" 1
27 1 81 THR HA 1 82 LEU H 1.800 . 2.800 2.162 2.134 2.183 . 0 0 "[ . 1 . 2]" 1
28 1 82 LEU HA 1 83 TRP H 1.800 . 2.800 2.164 2.142 2.184 . 0 0 "[ . 1 . 2]" 1
29 1 83 TRP HA 1 84 PHE H 1.800 . 2.800 2.150 2.128 2.178 . 0 0 "[ . 1 . 2]" 1
30 1 84 PHE HA 1 85 TRP H 1.800 . 2.800 2.181 2.159 2.230 . 0 0 "[ . 1 . 2]" 1
31 1 85 TRP HA 1 86 LEU H 1.800 . 2.800 2.188 2.168 2.204 . 0 0 "[ . 1 . 2]" 1
32 1 86 LEU HA 1 87 VAL H 1.800 . 2.800 2.150 2.106 2.179 . 0 0 "[ . 1 . 2]" 1
33 1 87 VAL HA 1 88 GLU H 1.800 . 2.800 2.220 2.176 2.255 . 0 0 "[ . 1 . 2]" 1
34 1 103 GLU HA 1 104 TRP H 1.800 . 2.800 2.303 2.250 2.366 . 0 0 "[ . 1 . 2]" 1
35 1 104 TRP HA 1 105 MET H 1.800 . 2.800 2.159 2.137 2.180 . 0 0 "[ . 1 . 2]" 1
36 1 105 MET HA 1 106 SER H 1.800 . 3.300 2.318 2.219 2.404 . 0 0 "[ . 1 . 2]" 1
37 1 106 SER HA 1 107 LEU H 1.800 . 2.800 2.139 2.116 2.168 . 0 0 "[ . 1 . 2]" 1
38 1 47 GLU H 1 48 GLN H 1.800 . 2.800 2.276 2.232 2.337 . 0 0 "[ . 1 . 2]" 1
39 1 48 GLN H 1 49 ALA H 1.800 . 2.800 2.700 2.652 2.729 . 0 0 "[ . 1 . 2]" 1
40 1 49 ALA H 1 50 VAL H 1.800 . 2.800 2.431 2.297 2.527 . 0 0 "[ . 1 . 2]" 1
41 1 50 VAL H 1 51 VAL H 1.800 . 2.800 2.423 2.395 2.476 . 0 0 "[ . 1 . 2]" 1
42 1 51 VAL H 1 52 ARG H 1.800 . 2.800 2.821 2.782 2.848 0.048 10 0 "[ . 1 . 2]" 1
43 1 52 ARG H 1 53 GLU H 1.800 . 2.800 2.412 2.367 2.484 . 0 0 "[ . 1 . 2]" 1
44 1 53 GLU H 1 54 LEU H 1.800 . 2.800 2.230 2.201 2.255 . 0 0 "[ . 1 . 2]" 1
45 1 54 LEU H 1 55 GLN H 1.800 . 2.800 2.952 2.903 2.976 0.176 13 0 "[ . 1 . 2]" 1
46 1 55 GLN H 1 56 GLU H 1.800 . 2.800 2.469 2.417 2.616 . 0 0 "[ . 1 . 2]" 1
47 1 56 GLU H 1 57 GLU H 1.800 . 2.800 2.491 2.431 2.762 . 0 0 "[ . 1 . 2]" 1
48 1 57 GLU H 1 58 VAL H 1.800 . 2.800 2.315 2.266 2.385 . 0 0 "[ . 1 . 2]" 1
49 1 58 VAL H 1 59 GLY H 1.800 . 2.800 1.895 1.869 1.934 . 0 0 "[ . 1 . 2]" 1
50 1 59 GLY H 1 60 ILE H 1.800 . 3.300 3.284 2.858 3.357 0.057 12 0 "[ . 1 . 2]" 1
51 1 47 GLU H 1 49 ALA H 1.800 . 5.000 3.484 3.404 3.625 . 0 0 "[ . 1 . 2]" 1
52 1 49 ALA H 1 51 VAL H 1.800 . 5.000 3.595 3.530 3.660 . 0 0 "[ . 1 . 2]" 1
53 1 51 VAL H 1 53 GLU H 1.800 . 5.000 4.099 4.015 4.246 . 0 0 "[ . 1 . 2]" 1
54 1 52 ARG H 1 54 LEU H 1.800 . 5.000 3.820 3.740 3.868 . 0 0 "[ . 1 . 2]" 1
55 1 53 GLU H 1 55 GLN H 1.800 . 5.000 4.252 4.206 4.297 . 0 0 "[ . 1 . 2]" 1
56 1 55 GLN H 1 57 GLU H 1.800 . 5.000 3.971 3.855 4.070 . 0 0 "[ . 1 . 2]" 1
57 1 56 GLU H 1 58 VAL H 1.800 . 5.000 3.885 3.779 4.096 . 0 0 "[ . 1 . 2]" 1
58 1 57 GLU H 1 59 GLY H 1.800 . 5.000 3.800 3.718 3.937 . 0 0 "[ . 1 . 2]" 1
59 1 58 VAL H 1 60 ILE H 1.800 . 5.000 4.622 4.364 4.726 . 0 0 "[ . 1 . 2]" 1
60 1 50 VAL H 1 53 GLU H 1.800 . 5.000 4.860 4.732 4.961 . 0 0 "[ . 1 . 2]" 1
61 1 51 VAL H 1 54 LEU H 1.800 . 5.000 4.537 4.489 4.581 . 0 0 "[ . 1 . 2]" 1
62 1 53 GLU H 1 56 GLU H 1.800 . 5.000 4.535 4.463 4.709 . 0 0 "[ . 1 . 2]" 1
63 1 55 GLN H 1 58 VAL H 1.800 . 5.000 4.871 4.764 4.953 . 0 0 "[ . 1 . 2]" 1
64 1 47 GLU HA 1 48 GLN H 1.800 . 5.000 3.576 3.560 3.593 . 0 0 "[ . 1 . 2]" 1
65 1 48 GLN HA 1 49 ALA H 1.800 . 5.000 3.314 3.298 3.332 . 0 0 "[ . 1 . 2]" 1
66 1 50 VAL HA 1 51 VAL H 1.800 . 5.000 3.516 3.483 3.543 . 0 0 "[ . 1 . 2]" 1
67 1 51 VAL HA 1 52 ARG H 1.800 . 5.000 3.529 3.507 3.552 . 0 0 "[ . 1 . 2]" 1
68 1 52 ARG HA 1 53 GLU H 1.800 . 5.000 3.451 3.427 3.504 . 0 0 "[ . 1 . 2]" 1
69 1 57 GLU HA 1 58 VAL H 1.800 . 5.000 3.206 3.177 3.233 . 0 0 "[ . 1 . 2]" 1
70 1 47 GLU HA 1 49 ALA H 1.800 . 5.000 3.741 3.698 3.797 . 0 0 "[ . 1 . 2]" 1
71 1 48 GLN HA 1 50 VAL H 1.800 . 5.000 4.471 4.311 4.625 . 0 0 "[ . 1 . 2]" 1
72 1 49 ALA HA 1 51 VAL H 1.800 . 5.000 4.594 4.404 4.843 . 0 0 "[ . 1 . 2]" 1
73 1 50 VAL HA 1 52 ARG H 1.800 . 5.000 3.962 3.869 4.061 . 0 0 "[ . 1 . 2]" 1
74 1 51 VAL HA 1 53 GLU H 1.800 . 5.000 4.267 4.139 4.543 . 0 0 "[ . 1 . 2]" 1
75 1 53 GLU HA 1 55 GLN H 1.800 . 5.000 4.350 4.308 4.392 . 0 0 "[ . 1 . 2]" 1
76 1 56 GLU HA 1 58 VAL H 1.800 . 5.000 3.989 3.934 4.083 . 0 0 "[ . 1 . 2]" 1
77 1 47 GLU HA 1 51 VAL H 1.800 . 5.000 4.281 3.938 4.458 . 0 0 "[ . 1 . 2]" 1
78 1 49 ALA HA 1 52 ARG H 1.800 . 5.000 4.136 4.027 4.202 . 0 0 "[ . 1 . 2]" 1
79 1 50 VAL HA 1 53 GLU H 1.800 . 5.000 3.034 2.970 3.139 . 0 0 "[ . 1 . 2]" 1
80 1 52 ARG HA 1 55 GLN H 1.800 . 5.000 3.882 3.744 3.998 . 0 0 "[ . 1 . 2]" 1
81 1 50 VAL HA 1 54 LEU H 1.800 . 5.000 3.672 3.392 3.835 . 0 0 "[ . 1 . 2]" 1
82 1 51 VAL HA 1 55 GLN H 1.800 . 5.000 4.479 4.383 4.652 . 0 0 "[ . 1 . 2]" 1
83 1 53 GLU HA 1 57 GLU H 1.800 . 5.000 3.851 3.574 4.030 . 0 0 "[ . 1 . 2]" 1
84 1 48 GLN HA 1 51 VAL HB 1.800 . 3.300 2.351 2.125 2.542 . 0 0 "[ . 1 . 2]" 1
85 1 49 ALA HA 1 52 ARG QB 1.800 . 3.800 3.777 3.568 3.851 0.051 5 0 "[ . 1 . 2]" 1
86 1 50 VAL HA 1 53 GLU QB 1.800 . 3.800 2.365 2.226 2.690 . 0 0 "[ . 1 . 2]" 1
87 1 51 VAL HA 1 54 LEU QB 1.800 . 3.800 2.356 2.283 2.548 . 0 0 "[ . 1 . 2]" 1
88 1 52 ARG HA 1 55 GLN QB 1.800 . 3.800 3.704 3.555 3.819 0.019 5 0 "[ . 1 . 2]" 1
89 1 53 GLU HA 1 56 GLU HB3 1.800 . 3.300 2.336 2.155 2.518 . 0 0 "[ . 1 . 2]" 1
90 1 53 GLU HA 1 56 GLU HB2 1.800 . 3.300 2.274 2.016 2.759 . 0 0 "[ . 1 . 2]" 1
91 1 54 LEU HA 1 57 GLU QB 1.800 . 3.800 3.343 3.179 3.727 . 0 0 "[ . 1 . 2]" 1
92 1 55 GLN HA 1 58 VAL HB 1.800 . 3.300 2.955 2.651 3.352 0.052 2 0 "[ . 1 . 2]" 1
93 1 122 VAL H 1 123 ILE H 1.800 . 2.800 2.580 2.540 2.625 . 0 0 "[ . 1 . 2]" 1
94 1 123 ILE H 1 124 ALA H 1.800 . 2.800 2.622 2.430 2.721 . 0 0 "[ . 1 . 2]" 1
95 1 124 ALA H 1 125 LYS H 1.800 . 2.800 2.745 2.689 2.807 0.007 13 0 "[ . 1 . 2]" 1
96 1 125 LYS H 1 126 LEU H 1.800 . 2.800 2.959 2.929 2.991 0.191 5 0 "[ . 1 . 2]" 1
97 1 126 LEU H 1 127 LYS H 1.800 . 2.800 2.514 2.433 2.548 . 0 0 "[ . 1 . 2]" 1
98 1 127 LYS H 1 128 ARG H 1.800 . 2.800 2.836 2.807 2.863 0.063 5 0 "[ . 1 . 2]" 1
99 1 128 ARG H 1 129 LEU H 1.800 . 3.800 2.580 2.552 2.640 . 0 0 "[ . 1 . 2]" 1
100 1 122 VAL H 1 124 ALA H 1.800 . 5.000 3.655 3.582 3.712 . 0 0 "[ . 1 . 2]" 1
101 1 123 ILE H 1 125 LYS H 1.800 . 5.000 4.547 4.494 4.592 . 0 0 "[ . 1 . 2]" 1
102 1 126 LEU H 1 128 ARG H 1.800 . 5.000 4.027 3.943 4.149 . 0 0 "[ . 1 . 2]" 1
103 1 127 LYS H 1 129 LEU H 1.800 . 5.000 3.914 3.871 3.961 . 0 0 "[ . 1 . 2]" 1
104 1 122 VAL H 1 125 LYS H 1.800 . 5.000 5.103 5.036 5.123 0.123 5 0 "[ . 1 . 2]" 1
105 1 125 LYS H 1 128 ARG H 1.800 . 5.000 4.757 4.671 4.843 . 0 0 "[ . 1 . 2]" 1
106 1 126 LEU H 1 129 LEU H 1.800 . 5.000 5.069 5.038 5.110 0.110 15 0 "[ . 1 . 2]" 1
107 1 122 VAL HA 1 123 ILE H 1.800 . 5.000 3.564 3.552 3.575 . 0 0 "[ . 1 . 2]" 1
108 1 123 ILE HA 1 124 ALA H 1.800 . 5.000 3.425 3.385 3.453 . 0 0 "[ . 1 . 2]" 1
109 1 128 ARG HA 1 129 LEU H 1.800 . 5.000 3.347 3.328 3.358 . 0 0 "[ . 1 . 2]" 1
110 1 120 GLU HA 1 122 VAL H 1.800 . 5.000 4.359 4.147 4.459 . 0 0 "[ . 1 . 2]" 1
111 1 122 VAL HA 1 124 ALA H 1.800 . 5.000 4.091 4.013 4.293 . 0 0 "[ . 1 . 2]" 1
112 1 123 ILE HA 1 125 LYS H 1.800 . 5.000 4.332 4.184 4.467 . 0 0 "[ . 1 . 2]" 1
113 1 125 LYS HA 1 127 LYS H 1.800 . 5.000 5.004 4.822 5.042 0.042 19 0 "[ . 1 . 2]" 1
114 1 127 LYS HA 1 129 LEU H 1.800 . 5.000 3.439 3.398 3.473 . 0 0 "[ . 1 . 2]" 1
115 1 120 GLU HA 1 123 ILE H 1.800 . 5.000 3.667 3.529 3.733 . 0 0 "[ . 1 . 2]" 1
116 1 121 PRO HA 1 124 ALA H 1.800 . 5.000 4.168 4.053 4.220 . 0 0 "[ . 1 . 2]" 1
117 1 122 VAL HA 1 125 LYS H 1.800 . 5.000 3.827 3.689 4.121 . 0 0 "[ . 1 . 2]" 1
118 1 123 ILE HA 1 126 LEU H 1.800 . 5.000 3.370 3.305 3.424 . 0 0 "[ . 1 . 2]" 1
119 1 124 ALA HA 1 127 LYS H 1.800 . 5.000 3.880 3.676 3.967 . 0 0 "[ . 1 . 2]" 1
120 1 126 LEU HA 1 129 LEU H 1.800 . 5.000 3.578 3.516 3.626 . 0 0 "[ . 1 . 2]" 1
121 1 121 PRO HA 1 125 LYS H 1.800 . 5.000 4.901 4.379 5.054 0.054 14 0 "[ . 1 . 2]" 1
122 1 121 PRO HA 1 124 ALA MB 1.800 . 3.800 2.956 2.607 3.135 . 0 0 "[ . 1 . 2]" 1
123 1 122 VAL HA 1 125 LYS QB 1.800 . 3.800 3.541 3.292 3.820 0.020 13 0 "[ . 1 . 2]" 1
124 1 123 ILE HA 1 126 LEU QB 1.800 . 3.800 3.126 2.932 3.322 . 0 0 "[ . 1 . 2]" 1
125 1 124 ALA HA 1 127 LYS QB 1.800 . 3.800 2.395 2.108 2.467 . 0 0 "[ . 1 . 2]" 1
126 1 125 LYS HA 1 128 ARG QB 1.800 . 3.800 3.402 3.164 3.634 . 0 0 "[ . 1 . 2]" 1
127 1 2 LYS H 1 2 LYS QG 1.800 . 5.500 3.974 3.527 4.198 . 0 0 "[ . 1 . 2]" 1
128 1 2 LYS HA 1 2 LYS QG 1.800 . 5.500 2.259 2.000 2.645 . 0 0 "[ . 1 . 2]" 1
129 1 1 MET HA 1 2 LYS H 1.800 . 3.300 2.401 2.148 2.956 . 0 0 "[ . 1 . 2]" 1
130 1 3 LYS H 1 3 LYS QG 1.800 . 5.500 2.691 2.017 4.124 . 0 0 "[ . 1 . 2]" 1
131 1 3 LYS HA 1 3 LYS QG 1.800 . 5.500 3.117 2.101 3.477 . 0 0 "[ . 1 . 2]" 1
132 1 3 LYS HA 1 3 LYS QE 1.800 . 5.000 4.586 3.867 5.007 0.007 1 0 "[ . 1 . 2]" 1
133 1 2 LYS HA 1 3 LYS H 1.800 . 3.300 2.160 2.134 2.253 . 0 0 "[ . 1 . 2]" 1
134 1 2 LYS QB 1 3 LYS HA 1.800 . 5.500 4.232 4.000 4.766 . 0 0 "[ . 1 . 2]" 1
135 1 2 LYS QG 1 3 LYS HA 1.800 . 5.500 4.624 3.697 5.492 . 0 0 "[ . 1 . 2]" 1
136 1 4 LEU H 1 4 LEU HG 1.800 . 3.300 2.409 2.331 2.499 . 0 0 "[ . 1 . 2]" 1
137 1 4 LEU H 1 4 LEU QB 1.800 . 5.500 3.127 3.102 3.164 . 0 0 "[ . 1 . 2]" 1
138 1 4 LEU H 1 4 LEU MD2 1.800 . 3.800 3.632 3.327 3.717 . 0 0 "[ . 1 . 2]" 1
139 1 3 LYS QG 1 4 LEU H 1.800 . 5.500 3.848 1.939 4.414 . 0 0 "[ . 1 . 2]" 1
140 1 3 LYS HB3 1 4 LEU H 1.800 . 5.000 3.761 2.570 4.318 . 0 0 "[ . 1 . 2]" 1
141 1 3 LYS HB2 1 4 LEU H 1.800 . 5.000 3.174 2.560 4.110 . 0 0 "[ . 1 . 2]" 1
142 1 3 LYS HA 1 4 LEU QD 1.800 . 7.000 4.085 3.889 4.245 . 0 0 "[ . 1 . 2]" 1
143 1 5 GLN H 1 5 GLN HG3 1.800 . 3.300 2.369 2.028 2.514 . 0 0 "[ . 1 . 2]" 1
144 1 5 GLN H 1 5 GLN HG2 1.800 . 3.300 3.333 3.315 3.348 0.048 11 0 "[ . 1 . 2]" 1
145 1 5 GLN HA 1 5 GLN HG3 1.800 . 3.300 3.324 3.275 3.350 0.050 16 0 "[ . 1 . 2]" 1
146 1 5 GLN HA 1 5 GLN HG2 1.800 . 3.300 2.588 2.475 2.890 . 0 0 "[ . 1 . 2]" 1
147 1 4 LEU MD1 1 5 GLN H 1.800 . 3.800 3.781 3.638 3.822 0.022 12 0 "[ . 1 . 2]" 1
148 1 4 LEU QB 1 5 GLN H 1.800 . 3.800 3.346 3.237 3.432 . 0 0 "[ . 1 . 2]" 1
149 1 6 ILE H 1 6 ILE QG 1.800 . 5.500 3.503 3.078 3.783 . 0 0 "[ . 1 . 2]" 1
150 1 6 ILE H 1 6 ILE MG 1.800 . 3.800 3.848 3.678 3.893 0.093 10 0 "[ . 1 . 2]" 1
151 1 6 ILE H 1 6 ILE MD 1.800 . 6.000 3.316 2.677 4.455 . 0 0 "[ . 1 . 2]" 1
152 1 6 ILE HA 1 6 ILE MG 1.800 . 6.000 2.459 2.380 2.662 . 0 0 "[ . 1 . 2]" 1
153 1 6 ILE HA 1 6 ILE MD 1.800 . 6.000 3.385 2.169 3.862 . 0 0 "[ . 1 . 2]" 1
154 1 5 GLN HB2 1 6 ILE H 1.800 . 3.800 3.629 3.494 3.717 . 0 0 "[ . 1 . 2]" 1
155 1 5 GLN HG3 1 6 ILE H 1.800 . 5.000 5.038 5.005 5.071 0.071 11 0 "[ . 1 . 2]" 1
156 1 5 GLN HG2 1 6 ILE H 1.800 . 5.000 4.348 4.212 4.650 . 0 0 "[ . 1 . 2]" 1
157 1 7 ALA H 1 7 ALA MB 1.800 . 3.800 2.471 2.395 2.547 . 0 0 "[ . 1 . 2]" 1
158 1 6 ILE HB 1 7 ALA H 1.800 . 5.000 4.123 4.017 4.323 . 0 0 "[ . 1 . 2]" 1
159 1 6 ILE MD 1 7 ALA H 1.800 . 4.300 2.391 2.039 2.701 . 0 0 "[ . 1 . 2]" 1
160 1 8 VAL H 1 8 VAL MG1 1.800 . 3.800 2.316 1.963 2.615 . 0 0 "[ . 1 . 2]" 1
161 1 8 VAL H 1 8 VAL MG2 1.800 . 6.000 3.154 2.869 3.605 . 0 0 "[ . 1 . 2]" 1
162 1 8 VAL HA 1 8 VAL MG1 1.800 . 6.000 2.863 2.676 3.073 . 0 0 "[ . 1 . 2]" 1
163 1 8 VAL HA 1 8 VAL MG2 1.800 . 6.000 2.977 2.759 3.098 . 0 0 "[ . 1 . 2]" 1
164 1 7 ALA MB 1 8 VAL H 1.800 . 4.300 3.165 2.920 3.279 . 0 0 "[ . 1 . 2]" 1
165 1 7 ALA HA 1 8 VAL MG1 1.800 . 6.000 3.246 3.115 3.327 . 0 0 "[ . 1 . 2]" 1
166 1 7 ALA HA 1 8 VAL MG2 1.800 . 6.000 4.950 4.581 5.309 . 0 0 "[ . 1 . 2]" 1
167 1 8 VAL MG2 1 9 GLY H 1.800 . 3.800 2.377 1.956 2.761 . 0 0 "[ . 1 . 2]" 1
168 1 8 VAL MG1 1 9 GLY H 1.800 . 6.000 4.143 4.065 4.331 . 0 0 "[ . 1 . 2]" 1
169 1 8 VAL HB 1 9 GLY H 1.800 . 3.300 3.017 2.712 3.354 0.054 12 0 "[ . 1 . 2]" 1
170 1 8 VAL MG2 1 9 GLY HA3 1.800 . 3.800 3.870 3.807 3.935 0.135 9 0 "[ . 1 . 2]" 1
171 1 10 ILE H 1 10 ILE HB 1.800 . 3.300 3.224 2.149 3.569 0.269 19 0 "[ . 1 . 2]" 1
172 1 10 ILE H 1 10 ILE QG 1.800 . 5.500 2.311 1.795 3.885 0.005 8 0 "[ . 1 . 2]" 1
173 1 10 ILE H 1 10 ILE MG 1.800 . 3.800 3.176 1.824 3.695 . 0 0 "[ . 1 . 2]" 1
174 1 10 ILE H 1 10 ILE MD 1.800 . 6.000 2.883 1.899 4.316 . 0 0 "[ . 1 . 2]" 1
175 1 11 ILE H 1 11 ILE HB 1.800 . 3.300 2.830 2.366 2.976 . 0 0 "[ . 1 . 2]" 1
176 1 11 ILE H 1 11 ILE MG 1.800 . 3.800 3.707 2.480 3.802 0.002 17 0 "[ . 1 . 2]" 1
177 1 11 ILE H 1 11 ILE MD 1.800 . 6.000 3.387 2.190 4.506 . 0 0 "[ . 1 . 2]" 1
178 1 10 ILE MD 1 11 ILE H 1.800 . 6.000 4.936 4.410 5.370 . 0 0 "[ . 1 . 2]" 1
179 1 11 ILE HA 1 11 ILE MG 1.800 . 6.000 2.253 2.119 3.183 . 0 0 "[ . 1 . 2]" 1
180 1 11 ILE HA 1 11 ILE MD 1.800 . 5.300 3.723 3.644 3.902 . 0 0 "[ . 1 . 2]" 1
181 1 12 ARG H 1 12 ARG HG3 1.800 . 3.800 3.821 3.629 3.879 0.079 2 0 "[ . 1 . 2]" 1
182 1 12 ARG H 1 12 ARG HG2 1.800 . 3.800 3.525 3.230 3.852 0.052 4 0 "[ . 1 . 2]" 1
183 1 12 ARG H 1 12 ARG QD 1.800 . 5.500 4.666 4.432 4.862 . 0 0 "[ . 1 . 2]" 1
184 1 12 ARG HA 1 12 ARG QG 1.800 . 5.500 2.159 2.006 2.326 . 0 0 "[ . 1 . 2]" 1
185 1 11 ILE MD 1 12 ARG H 1.800 . 5.000 5.115 4.650 5.221 0.221 11 0 "[ . 1 . 2]" 1
186 1 12 ARG HA 1 18 ILE MG 1.800 . 4.300 3.505 2.170 4.393 0.093 20 0 "[ . 1 . 2]" 1
187 1 13 ASN HA 1 13 ASN HB3 1.800 . 2.800 2.676 2.301 2.985 0.185 18 0 "[ . 1 . 2]" 1
188 1 13 ASN HA 1 13 ASN HB2 1.800 . 2.800 2.507 2.240 2.710 . 0 0 "[ . 1 . 2]" 1
189 1 12 ARG QB 1 13 ASN H 1.800 . 5.500 2.852 2.654 3.451 . 0 0 "[ . 1 . 2]" 1
190 1 14 GLU H 1 14 GLU QG 1.800 . 5.500 3.983 3.938 4.026 . 0 0 "[ . 1 . 2]" 1
191 1 14 GLU HA 1 14 GLU QG 1.800 . 3.300 2.647 2.365 3.108 . 0 0 "[ . 1 . 2]" 1
192 1 13 ASN HA 1 14 GLU H 1.800 . 3.300 2.525 2.295 2.623 . 0 0 "[ . 1 . 2]" 1
193 1 13 ASN HB3 1 14 GLU H 1.800 . 3.300 3.062 2.294 3.506 0.206 5 0 "[ . 1 . 2]" 1
194 1 13 ASN HB2 1 14 GLU H 1.800 . 3.300 2.631 1.770 3.555 0.255 12 0 "[ . 1 . 2]" 1
195 1 13 ASN H 1 14 GLU H 1.800 . 5.000 4.330 4.275 4.474 . 0 0 "[ . 1 . 2]" 1
196 1 15 ASN H 1 15 ASN HB3 1.800 . 2.800 2.652 2.405 2.836 0.036 17 0 "[ . 1 . 2]" 1
197 1 15 ASN H 1 15 ASN HB2 1.800 . 3.300 2.476 2.202 2.795 . 0 0 "[ . 1 . 2]" 1
198 1 15 ASN HA 1 15 ASN HB2 1.800 . 2.800 2.516 2.395 2.607 . 0 0 "[ . 1 . 2]" 1
199 1 14 GLU HA 1 15 ASN H 1.800 . 3.300 3.489 3.473 3.506 0.206 9 0 "[ . 1 . 2]" 1
200 1 14 GLU HB3 1 15 ASN H 1.800 . 5.000 2.314 2.122 2.715 . 0 0 "[ . 1 . 2]" 1
201 1 14 GLU HB2 1 15 ASN H 1.800 . 5.000 3.729 3.596 4.010 . 0 0 "[ . 1 . 2]" 1
202 1 14 GLU H 1 15 ASN H 1.800 . 2.800 2.894 2.841 2.966 0.166 9 0 "[ . 1 . 2]" 1
203 1 13 ASN HB3 1 15 ASN H 1.800 . 5.500 3.928 2.764 4.851 . 0 0 "[ . 1 . 2]" 1
204 1 13 ASN HB2 1 15 ASN H 1.800 . 5.500 3.985 2.971 4.640 . 0 0 "[ . 1 . 2]" 1
205 1 16 ASN HA 1 16 ASN HB3 1.800 . 2.800 2.812 2.341 2.944 0.144 12 0 "[ . 1 . 2]" 1
206 1 16 ASN HA 1 16 ASN HB2 1.800 . 2.800 2.689 2.242 2.857 0.057 18 0 "[ . 1 . 2]" 1
207 1 15 ASN HA 1 16 ASN H 1.800 . 5.000 3.404 3.267 3.537 . 0 0 "[ . 1 . 2]" 1
208 1 15 ASN HB3 1 16 ASN H 1.800 . 5.000 3.072 1.937 3.657 . 0 0 "[ . 1 . 2]" 1
209 1 15 ASN HB2 1 16 ASN H 1.800 . 5.000 4.047 3.330 4.446 . 0 0 "[ . 1 . 2]" 1
210 1 15 ASN H 1 16 ASN H 1.800 . 2.800 2.731 2.514 2.864 0.064 9 0 "[ . 1 . 2]" 1
211 1 14 GLU QB 1 16 ASN H 1.800 . 5.500 4.504 4.284 5.103 . 0 0 "[ . 1 . 2]" 1
212 1 17 GLU H 1 17 GLU QG 1.800 . 3.800 2.072 1.841 2.509 . 0 0 "[ . 1 . 2]" 1
213 1 17 GLU HA 1 17 GLU QG 1.800 . 5.500 3.158 2.781 3.454 . 0 0 "[ . 1 . 2]" 1
214 1 16 ASN H 1 17 GLU H 1.800 . 5.000 2.170 1.622 2.459 0.178 10 0 "[ . 1 . 2]" 1
215 1 16 ASN HA 1 17 GLU H 1.800 . 3.300 3.120 3.022 3.189 . 0 0 "[ . 1 . 2]" 1
216 1 16 ASN HB3 1 17 GLU H 1.800 . 5.000 4.055 3.896 4.632 . 0 0 "[ . 1 . 2]" 1
217 1 16 ASN HB2 1 17 GLU H 1.800 . 5.000 4.240 4.070 4.649 . 0 0 "[ . 1 . 2]" 1
218 1 16 ASN H 1 17 GLU QG 1.800 . 5.500 3.526 2.627 4.428 . 0 0 "[ . 1 . 2]" 1
219 1 15 ASN H 1 17 GLU QB 1.800 . 5.500 5.520 5.393 5.641 0.141 20 0 "[ . 1 . 2]" 1
220 1 15 ASN H 1 17 GLU QG 1.800 . 5.500 3.938 3.384 4.585 . 0 0 "[ . 1 . 2]" 1
221 1 15 ASN HB3 1 17 GLU H 1.800 . 5.500 2.862 2.579 3.117 . 0 0 "[ . 1 . 2]" 1
222 1 15 ASN HB2 1 17 GLU H 1.800 . 5.500 4.441 4.123 4.782 . 0 0 "[ . 1 . 2]" 1
223 1 18 ILE H 1 18 ILE HB 1.800 . 3.300 3.102 2.189 3.555 0.255 11 0 "[ . 1 . 2]" 1
224 1 18 ILE H 1 18 ILE QG 1.800 . 5.500 3.604 2.490 4.137 . 0 0 "[ . 1 . 2]" 1
225 1 18 ILE H 1 18 ILE MG 1.800 . 6.000 2.017 1.772 3.732 0.028 18 0 "[ . 1 . 2]" 1
226 1 18 ILE H 1 18 ILE MD 1.800 . 4.300 3.865 2.871 4.194 . 0 0 "[ . 1 . 2]" 1
227 1 18 ILE HA 1 18 ILE QG 1.800 . 3.800 2.825 2.126 3.437 . 0 0 "[ . 1 . 2]" 1
228 1 18 ILE HA 1 18 ILE MG 1.800 . 3.800 2.975 2.365 3.203 . 0 0 "[ . 1 . 2]" 1
229 1 18 ILE HA 1 18 ILE MD 1.800 . 6.000 3.278 2.777 3.779 . 0 0 "[ . 1 . 2]" 1
230 1 17 GLU QB 1 18 ILE H 1.800 . 5.500 3.125 2.926 3.385 . 0 0 "[ . 1 . 2]" 1
231 1 17 GLU QG 1 18 ILE H 1.800 . 5.500 4.374 3.691 4.670 . 0 0 "[ . 1 . 2]" 1
232 1 19 PHE H 1 19 PHE QD 1.800 . 5.400 3.692 3.374 4.026 . 0 0 "[ . 1 . 2]" 1
233 1 19 PHE H 1 19 PHE QE 1.800 . 7.100 5.762 5.458 6.098 . 0 0 "[ . 1 . 2]" 1
234 1 18 ILE HB 1 19 PHE HA 1.800 . 5.000 4.517 4.207 5.014 0.014 15 0 "[ . 1 . 2]" 1
235 1 18 ILE MD 1 19 PHE HA 1.800 . 4.300 3.596 3.319 4.089 . 0 0 "[ . 1 . 2]" 1
236 1 20 ILE H 1 20 ILE HB 1.800 . 3.300 3.387 3.111 3.555 0.255 14 0 "[ . 1 . 2]" 1
237 1 20 ILE H 1 20 ILE MD 1.800 . 4.300 3.522 2.477 3.711 . 0 0 "[ . 1 . 2]" 1
238 1 20 ILE HA 1 20 ILE MG 1.800 . 3.800 2.000 1.933 2.138 . 0 0 "[ . 1 . 2]" 1
239 1 20 ILE HA 1 20 ILE MD 1.800 . 6.000 4.069 3.311 4.165 . 0 0 "[ . 1 . 2]" 1
240 1 19 PHE QB 1 20 ILE H 1.800 . 5.500 3.842 3.583 4.016 . 0 0 "[ . 1 . 2]" 1
241 1 21 THR H 1 21 THR MG 1.800 . 4.300 2.035 1.855 2.442 . 0 0 "[ . 1 . 2]" 1
242 1 21 THR HA 1 21 THR HB 1.800 . 2.800 2.378 2.300 2.500 . 0 0 "[ . 1 . 2]" 1
243 1 21 THR HA 1 21 THR MG 1.800 . 4.300 2.770 2.373 3.218 . 0 0 "[ . 1 . 2]" 1
244 1 20 ILE HB 1 21 THR H 1.800 . 5.000 3.144 2.672 3.691 . 0 0 "[ . 1 . 2]" 1
245 1 20 ILE MG 1 21 THR H 1.800 . 6.000 2.977 2.599 3.545 . 0 0 "[ . 1 . 2]" 1
246 1 21 THR HB 1 22 ARG H 1.800 . 5.000 3.768 2.778 4.427 . 0 0 "[ . 1 . 2]" 1
247 1 21 THR MG 1 22 ARG H 1.800 . 6.000 4.248 3.995 4.409 . 0 0 "[ . 1 . 2]" 1
248 1 23 ARG H 1 23 ARG QG 1.800 . 5.500 2.546 2.202 3.037 . 0 0 "[ . 1 . 2]" 1
249 1 23 ARG HA 1 23 ARG QG 1.800 . 5.500 2.670 2.154 3.295 . 0 0 "[ . 1 . 2]" 1
250 1 24 ALA H 1 24 ALA MB 1.800 . 3.800 2.828 2.712 3.028 . 0 0 "[ . 1 . 2]" 1
251 1 23 ARG H 1 24 ALA H 1.800 . 5.000 3.045 2.711 4.352 . 0 0 "[ . 1 . 2]" 1
252 1 23 ARG HA 1 24 ALA H 1.800 . 3.300 3.082 2.887 3.471 0.171 1 0 "[ . 1 . 2]" 1
253 1 23 ARG QB 1 24 ALA H 1.800 . 5.500 3.468 1.875 3.882 . 0 0 "[ . 1 . 2]" 1
254 1 23 ARG QG 1 24 ALA H 1.800 . 5.500 4.103 2.003 4.587 . 0 0 "[ . 1 . 2]" 1
255 1 22 ARG H 1 24 ALA HA 1.800 . 5.000 4.452 3.784 5.039 0.039 15 0 "[ . 1 . 2]" 1
256 1 23 ARG QB 1 24 ALA MB 1.800 . 6.500 4.122 3.435 4.348 . 0 0 "[ . 1 . 2]" 1
257 1 25 ALA H 1 25 ALA MB 1.800 . 3.800 2.682 2.199 3.010 . 0 0 "[ . 1 . 2]" 1
258 1 24 ALA HA 1 25 ALA H 1.800 . 5.000 3.069 2.708 3.571 . 0 0 "[ . 1 . 2]" 1
259 1 24 ALA MB 1 25 ALA H 1.800 . 6.000 2.713 1.878 3.709 . 0 0 "[ . 1 . 2]" 1
260 1 26 ASP HA 1 26 ASP HB3 1.800 . 2.800 2.813 2.284 2.847 0.047 20 0 "[ . 1 . 2]" 1
261 1 26 ASP HA 1 26 ASP HB2 1.800 . 2.800 2.833 2.673 2.862 0.062 11 0 "[ . 1 . 2]" 1
262 1 25 ALA HA 1 26 ASP H 1.800 . 5.000 3.159 2.314 3.570 . 0 0 "[ . 1 . 2]" 1
263 1 25 ALA MB 1 26 ASP H 1.800 . 4.300 3.088 1.968 3.697 . 0 0 "[ . 1 . 2]" 1
264 1 25 ALA H 1 26 ASP H 1.800 . 3.300 2.600 1.954 3.321 0.021 12 0 "[ . 1 . 2]" 1
265 1 25 ALA MB 1 26 ASP QB 1.800 . 6.500 3.547 2.926 4.489 . 0 0 "[ . 1 . 2]" 1
266 1 25 ALA MB 1 26 ASP HA 1.800 . 6.000 4.334 3.940 5.058 . 0 0 "[ . 1 . 2]" 1
267 1 27 ALA H 1 27 ALA MB 1.800 . 6.000 2.792 2.187 2.961 . 0 0 "[ . 1 . 2]" 1
268 1 30 ALA H 1 30 ALA MB 1.800 . 6.000 2.146 2.077 2.232 . 0 0 "[ . 1 . 2]" 1
269 1 29 MET HA 1 30 ALA H 1.800 . 3.300 2.380 2.147 2.928 . 0 0 "[ . 1 . 2]" 1
270 1 29 MET HA 1 30 ALA MB 1.800 . 6.000 4.146 3.952 4.634 . 0 0 "[ . 1 . 2]" 1
271 1 29 MET QB 1 30 ALA MB 1.800 . 6.500 4.801 4.143 5.070 . 0 0 "[ . 1 . 2]" 1
272 1 31 ASN H 1 31 ASN HB3 1.800 . 3.300 3.115 2.574 3.315 0.015 2 0 "[ . 1 . 2]" 1
273 1 31 ASN H 1 31 ASN HB2 1.800 . 3.300 2.289 2.100 2.720 . 0 0 "[ . 1 . 2]" 1
274 1 30 ALA HA 1 31 ASN H 1.800 . 5.000 3.421 3.354 3.477 . 0 0 "[ . 1 . 2]" 1
275 1 30 ALA MB 1 31 ASN H 1.800 . 6.000 3.044 2.914 3.213 . 0 0 "[ . 1 . 2]" 1
276 1 30 ALA MB 1 31 ASN HB3 1.800 . 6.000 5.281 4.808 5.600 . 0 0 "[ . 1 . 2]" 1
277 1 30 ALA MB 1 31 ASN HB2 1.800 . 6.000 4.133 3.931 4.516 . 0 0 "[ . 1 . 2]" 1
278 1 32 LYS H 1 32 LYS QG 1.800 . 5.500 4.039 3.631 4.214 . 0 0 "[ . 1 . 2]" 1
279 1 33 LEU H 1 33 LEU HB3 1.800 . 2.800 2.676 2.288 2.829 0.029 17 0 "[ . 1 . 2]" 1
280 1 33 LEU H 1 33 LEU HB2 1.800 . 2.800 2.363 2.208 2.735 . 0 0 "[ . 1 . 2]" 1
281 1 33 LEU H 1 33 LEU HG 1.800 . 5.000 4.300 4.212 4.474 . 0 0 "[ . 1 . 2]" 1
282 1 33 LEU H 1 33 LEU MD1 1.800 . 4.300 4.197 4.028 4.260 . 0 0 "[ . 1 . 2]" 1
283 1 33 LEU H 1 33 LEU MD2 1.800 . 4.300 4.200 4.110 4.256 . 0 0 "[ . 1 . 2]" 1
284 1 33 LEU HA 1 33 LEU HG 1.800 . 3.300 2.781 2.453 3.391 0.091 1 0 "[ . 1 . 2]" 1
285 1 33 LEU HA 1 33 LEU MD1 1.800 . 6.000 3.328 1.875 3.865 . 0 0 "[ . 1 . 2]" 1
286 1 33 LEU HA 1 33 LEU MD2 1.800 . 6.000 2.782 2.188 3.874 . 0 0 "[ . 1 . 2]" 1
287 1 32 LYS HA 1 33 LEU H 1.800 . 2.800 2.921 2.914 2.928 0.128 9 0 "[ . 1 . 2]" 1
288 1 32 LYS QB 1 33 LEU H 1.800 . 5.500 3.733 3.721 3.745 . 0 0 "[ . 1 . 2]" 1
289 1 34 GLU H 1 34 GLU QG 1.800 . 6.000 3.879 2.093 4.245 . 0 0 "[ . 1 . 2]" 1
290 1 33 LEU HA 1 34 GLU H 1.800 . 5.000 2.525 2.272 2.628 . 0 0 "[ . 1 . 2]" 1
291 1 33 LEU HB3 1 34 GLU H 1.800 . 5.000 4.377 4.316 4.472 . 0 0 "[ . 1 . 2]" 1
292 1 33 LEU HB2 1 34 GLU H 1.800 . 5.000 4.650 4.632 4.660 . 0 0 "[ . 1 . 2]" 1
293 1 33 LEU HG 1 34 GLU H 1.800 . 5.000 4.820 4.334 5.036 0.036 15 0 "[ . 1 . 2]" 1
294 1 33 LEU MD1 1 34 GLU H 1.800 . 6.000 5.017 3.509 5.568 . 0 0 "[ . 1 . 2]" 1
295 1 33 LEU MD2 1 34 GLU H 1.800 . 6.000 3.995 2.973 5.551 . 0 0 "[ . 1 . 2]" 1
296 1 34 GLU HA 1 35 PHE H 1.800 . 3.300 2.555 2.400 2.708 . 0 0 "[ . 1 . 2]" 1
297 1 34 GLU HB3 1 35 PHE H 1.800 . 5.000 2.807 2.338 3.666 . 0 0 "[ . 1 . 2]" 1
298 1 34 GLU HB2 1 35 PHE H 1.800 . 5.000 3.608 2.070 3.896 . 0 0 "[ . 1 . 2]" 1
299 1 36 PRO HA 1 36 PRO QD 1.800 . 6.000 3.118 3.081 3.206 . 0 0 "[ . 1 . 2]" 1
300 1 36 PRO HA 1 37 GLY H 1.800 . 5.000 2.446 2.434 2.464 . 0 0 "[ . 1 . 2]" 1
301 1 37 GLY HA3 1 38 GLY H 1.800 . 3.300 3.481 3.476 3.490 0.190 16 0 "[ . 1 . 2]" 1
302 1 37 GLY HA2 1 38 GLY H 1.800 . 3.300 2.501 2.490 2.517 . 0 0 "[ . 1 . 2]" 1
303 1 38 GLY H 1 40 ILE MG 1.800 . 4.300 3.576 3.292 4.302 0.002 3 0 "[ . 1 . 2]" 1
304 1 39 LYS H 1 39 LYS QG 1.800 . 5.500 4.280 4.247 4.323 . 0 0 "[ . 1 . 2]" 1
305 1 38 GLY HA3 1 39 LYS H 1.800 . 5.000 3.336 3.212 3.400 . 0 0 "[ . 1 . 2]" 1
306 1 38 GLY HA2 1 39 LYS H 1.800 . 5.000 2.184 2.166 2.200 . 0 0 "[ . 1 . 2]" 1
307 1 40 ILE H 1 40 ILE QG 1.800 . 5.500 3.057 2.805 3.902 . 0 0 "[ . 1 . 2]" 1
308 1 40 ILE H 1 40 ILE MG 1.800 . 4.300 1.910 1.862 1.987 . 0 0 "[ . 1 . 2]" 1
309 1 40 ILE H 1 40 ILE MD 1.800 . 6.000 4.357 4.246 4.517 . 0 0 "[ . 1 . 2]" 1
310 1 40 ILE HA 1 40 ILE QG 1.800 . 3.800 3.204 2.683 3.294 . 0 0 "[ . 1 . 2]" 1
311 1 40 ILE HA 1 40 ILE MG 1.800 . 3.800 2.660 2.477 3.106 . 0 0 "[ . 1 . 2]" 1
312 1 40 ILE HA 1 40 ILE MD 1.800 . 6.000 3.831 3.668 3.954 . 0 0 "[ . 1 . 2]" 1
313 1 40 ILE HB 1 40 ILE MD 1.800 . 4.300 2.069 1.996 2.237 . 0 0 "[ . 1 . 2]" 1
314 1 39 LYS HA 1 40 ILE H 1.800 . 3.300 3.069 2.904 3.327 0.027 3 0 "[ . 1 . 2]" 1
315 1 39 LYS QB 1 40 ILE H 1.800 . 3.800 3.701 3.320 3.814 0.014 6 0 "[ . 1 . 2]" 1
316 1 39 LYS HG3 1 40 ILE H 1.800 . 5.000 4.648 4.565 4.679 . 0 0 "[ . 1 . 2]" 1
317 1 39 LYS HG2 1 40 ILE H 1.800 . 5.000 5.027 4.955 5.054 0.054 7 0 "[ . 1 . 2]" 1
318 1 39 LYS HG3 1 40 ILE HA 1.800 . 5.000 5.021 4.967 5.037 0.037 19 0 "[ . 1 . 2]" 1
319 1 39 LYS HG2 1 40 ILE HA 1.800 . 5.000 4.798 4.722 5.021 0.021 3 0 "[ . 1 . 2]" 1
320 1 41 GLU H 1 41 GLU HB3 1.800 . 3.800 2.787 2.770 2.807 . 0 0 "[ . 1 . 2]" 1
321 1 41 GLU H 1 41 GLU HB2 1.800 . 3.800 3.564 3.539 3.710 . 0 0 "[ . 1 . 2]" 1
322 1 41 GLU H 1 41 GLU HG3 1.800 . 5.000 2.062 1.982 2.518 . 0 0 "[ . 1 . 2]" 1
323 1 41 GLU H 1 41 GLU HG2 1.800 . 5.000 2.568 2.466 2.924 . 0 0 "[ . 1 . 2]" 1
324 1 41 GLU HA 1 41 GLU HG3 1.800 . 3.800 3.542 3.532 3.558 . 0 0 "[ . 1 . 2]" 1
325 1 40 ILE HA 1 41 GLU H 1.800 . 3.300 3.426 3.415 3.478 0.178 13 0 "[ . 1 . 2]" 1
326 1 40 ILE QG 1 41 GLU H 1.800 . 5.500 2.271 1.986 2.401 . 0 0 "[ . 1 . 2]" 1
327 1 40 ILE MD 1 41 GLU H 1.800 . 6.000 3.971 3.644 4.095 . 0 0 "[ . 1 . 2]" 1
328 1 40 ILE QG 1 41 GLU HB3 1.800 . 5.000 3.707 3.354 4.001 . 0 0 "[ . 1 . 2]" 1
329 1 40 ILE QG 1 41 GLU HB2 1.800 . 5.000 4.678 4.482 4.778 . 0 0 "[ . 1 . 2]" 1
330 1 39 LYS H 1 41 GLU HG3 1.800 . 3.800 3.888 3.872 3.904 0.104 17 0 "[ . 1 . 2]" 1
331 1 39 LYS H 1 41 GLU HG2 1.800 . 3.800 3.840 3.831 3.848 0.048 6 0 "[ . 1 . 2]" 1
332 1 42 MET H 1 42 MET QG 1.800 . 3.800 2.864 2.511 3.861 0.061 5 0 "[ . 1 . 2]" 1
333 1 42 MET HA 1 42 MET QG 1.800 . 3.800 2.391 2.018 2.805 . 0 0 "[ . 1 . 2]" 1
334 1 41 GLU HB3 1 42 MET H 1.800 . 5.000 3.509 3.350 3.570 . 0 0 "[ . 1 . 2]" 1
335 1 41 GLU HB2 1 42 MET H 1.800 . 5.000 2.321 1.984 2.464 . 0 0 "[ . 1 . 2]" 1
336 1 41 GLU HG3 1 42 MET H 1.800 . 3.300 2.090 2.030 2.287 . 0 0 "[ . 1 . 2]" 1
337 1 41 GLU HG2 1 42 MET H 1.800 . 3.300 3.398 3.381 3.424 0.124 11 0 "[ . 1 . 2]" 1
338 1 42 MET HA 1 43 GLY H 1.800 . 5.000 3.518 3.462 3.559 . 0 0 "[ . 1 . 2]" 1
339 1 42 MET QB 1 43 GLY H 1.800 . 5.500 1.881 1.790 1.974 0.010 17 0 "[ . 1 . 2]" 1
340 1 42 MET QG 1 43 GLY H 1.800 . 3.800 3.819 3.775 3.845 0.045 13 0 "[ . 1 . 2]" 1
341 1 44 GLU H 1 44 GLU QG 1.800 . 3.800 3.792 3.676 3.835 0.035 15 0 "[ . 1 . 2]" 1
342 1 43 GLY H 1 44 GLU H 1.800 . 2.800 1.879 1.781 1.927 0.019 13 0 "[ . 1 . 2]" 1
343 1 43 GLY HA3 1 44 GLU H 1.800 . 3.300 3.444 3.376 3.488 0.188 11 0 "[ . 1 . 2]" 1
344 1 43 GLY HA2 1 44 GLU H 1.800 . 3.300 2.967 2.822 3.187 . 0 0 "[ . 1 . 2]" 1
345 1 42 MET QB 1 44 GLU H 1.800 . 5.500 3.248 3.001 3.556 . 0 0 "[ . 1 . 2]" 1
346 1 40 ILE MD 1 44 GLU H 1.800 . 6.000 5.576 5.304 5.954 . 0 0 "[ . 1 . 2]" 1
347 1 40 ILE QG 1 44 GLU H 1.800 . 5.500 5.491 4.852 5.602 0.102 11 0 "[ . 1 . 2]" 1
348 1 45 THR H 1 45 THR MG 1.800 . 3.800 3.623 3.559 3.711 . 0 0 "[ . 1 . 2]" 1
349 1 45 THR HA 1 45 THR MG 1.800 . 4.300 2.006 1.984 2.059 . 0 0 "[ . 1 . 2]" 1
350 1 44 GLU H 1 45 THR H 1.800 . 5.000 4.399 4.362 4.450 . 0 0 "[ . 1 . 2]" 1
351 1 44 GLU HA 1 45 THR H 1.800 . 5.000 2.808 2.712 2.885 . 0 0 "[ . 1 . 2]" 1
352 1 44 GLU QB 1 45 THR H 1.800 . 3.300 1.887 1.801 1.949 . 0 0 "[ . 1 . 2]" 1
353 1 44 GLU QG 1 45 THR H 1.800 . 3.300 2.799 2.480 3.121 . 0 0 "[ . 1 . 2]" 1
354 1 46 PRO HA 1 46 PRO HD3 1.800 . 5.000 3.148 3.127 3.209 . 0 0 "[ . 1 . 2]" 1
355 1 46 PRO HA 1 46 PRO HD2 1.800 . 5.000 3.992 3.979 4.014 . 0 0 "[ . 1 . 2]" 1
356 1 45 THR MG 1 46 PRO HB3 1.800 . 5.000 5.049 4.992 5.069 0.069 11 0 "[ . 1 . 2]" 1
357 1 45 THR MG 1 46 PRO HB2 1.800 . 5.000 4.863 4.644 5.006 0.006 12 0 "[ . 1 . 2]" 1
358 1 45 THR MG 1 46 PRO QG 1.800 . 5.500 2.922 2.794 3.033 . 0 0 "[ . 1 . 2]" 1
359 1 45 THR HA 1 46 PRO HA 1.800 . 5.000 4.401 4.394 4.407 . 0 0 "[ . 1 . 2]" 1
360 1 46 PRO HA 1 47 GLU H 1.800 . 5.000 3.514 3.497 3.529 . 0 0 "[ . 1 . 2]" 1
361 1 46 PRO HB3 1 47 GLU H 1.800 . 5.000 4.228 4.172 4.278 . 0 0 "[ . 1 . 2]" 1
362 1 46 PRO HB2 1 47 GLU H 1.800 . 5.000 3.185 3.092 3.262 . 0 0 "[ . 1 . 2]" 1
363 1 46 PRO HG3 1 47 GLU H 1.800 . 5.000 4.344 4.229 4.458 . 0 0 "[ . 1 . 2]" 1
364 1 46 PRO HG2 1 47 GLU H 1.800 . 5.000 2.914 2.755 3.083 . 0 0 "[ . 1 . 2]" 1
365 1 48 GLN H 1 48 GLN QG 1.800 . 3.300 2.827 1.983 3.373 0.073 17 0 "[ . 1 . 2]" 1
366 1 48 GLN HA 1 48 GLN QG 1.800 . 5.500 2.563 2.030 3.336 . 0 0 "[ . 1 . 2]" 1
367 1 47 GLU QB 1 48 GLN H 1.800 . 5.500 2.573 2.420 2.656 . 0 0 "[ . 1 . 2]" 1
368 1 48 GLN HA 1 51 VAL MG2 1.800 . 5.500 2.391 1.955 3.231 . 0 0 "[ . 1 . 2]" 1
369 1 49 ALA H 1 49 ALA MB 1.800 . 3.800 2.177 2.108 2.299 . 0 0 "[ . 1 . 2]" 1
370 1 48 GLN QB 1 49 ALA H 1.800 . 5.500 3.433 3.344 3.773 . 0 0 "[ . 1 . 2]" 1
371 1 48 GLN QG 1 49 ALA H 1.800 . 5.500 4.272 3.188 4.803 . 0 0 "[ . 1 . 2]" 1
372 1 47 GLU HB3 1 49 ALA H 1.800 . 5.000 4.829 4.713 4.957 . 0 0 "[ . 1 . 2]" 1
373 1 47 GLU HB2 1 49 ALA H 1.800 . 5.000 4.826 4.667 4.981 . 0 0 "[ . 1 . 2]" 1
374 1 46 PRO HA 1 49 ALA MB 1.800 . 6.000 3.403 3.286 3.652 . 0 0 "[ . 1 . 2]" 1
375 1 48 GLN QB 1 49 ALA MB 1.800 . 6.000 4.359 4.132 4.856 . 0 0 "[ . 1 . 2]" 1
376 1 48 GLN QG 1 49 ALA MB 1.800 . 6.000 5.207 3.628 5.757 . 0 0 "[ . 1 . 2]" 1
377 1 50 VAL H 1 50 VAL MG1 1.800 . 6.000 1.930 1.797 2.106 0.003 18 0 "[ . 1 . 2]" 1
378 1 50 VAL H 1 50 VAL MG2 1.800 . 3.800 3.738 3.320 3.789 . 0 0 "[ . 1 . 2]" 1
379 1 50 VAL HA 1 50 VAL MG1 1.800 . 3.800 3.169 2.959 3.197 . 0 0 "[ . 1 . 2]" 1
380 1 50 VAL HA 1 50 VAL MG2 1.800 . 6.000 2.458 2.361 2.903 . 0 0 "[ . 1 . 2]" 1
381 1 49 ALA HA 1 50 VAL H 1.800 . 5.000 3.536 3.500 3.563 . 0 0 "[ . 1 . 2]" 1
382 1 49 ALA MB 1 50 VAL H 1.800 . 4.300 2.491 2.282 2.612 . 0 0 "[ . 1 . 2]" 1
383 1 49 ALA MB 1 50 VAL MG1 1.800 . 5.300 3.498 2.932 3.702 . 0 0 "[ . 1 . 2]" 1
384 1 49 ALA MB 1 50 VAL MG2 1.800 . 5.300 4.903 4.859 4.985 . 0 0 "[ . 1 . 2]" 1
385 1 51 VAL H 1 51 VAL HB 1.800 . 3.300 2.609 2.490 2.712 . 0 0 "[ . 1 . 2]" 1
386 1 51 VAL H 1 51 VAL MG1 1.800 . 7.000 3.779 3.766 3.792 . 0 0 "[ . 1 . 2]" 1
387 1 51 VAL H 1 51 VAL MG2 1.800 . 7.000 2.095 1.955 2.260 . 0 0 "[ . 1 . 2]" 1
388 1 51 VAL HA 1 51 VAL MG1 1.800 . 5.300 2.394 2.340 2.454 . 0 0 "[ . 1 . 2]" 1
389 1 51 VAL HA 1 51 VAL MG2 1.800 . 5.300 2.383 2.324 2.432 . 0 0 "[ . 1 . 2]" 1
390 1 50 VAL MG1 1 51 VAL H 1.800 . 6.000 2.029 1.928 2.822 . 0 0 "[ . 1 . 2]" 1
391 1 50 VAL MG2 1 51 VAL H 1.800 . 4.300 3.380 2.479 3.618 . 0 0 "[ . 1 . 2]" 1
392 1 48 GLN HA 1 51 VAL HA 1.800 . 5.000 5.042 5.019 5.063 0.063 10 0 "[ . 1 . 2]" 1
393 1 48 GLN H 1 51 VAL MG1 1.800 . 6.000 5.837 5.481 6.012 0.012 5 0 "[ . 1 . 2]" 1
394 1 48 GLN QB 1 51 VAL MG1 1.800 . 6.500 4.785 4.223 5.196 . 0 0 "[ . 1 . 2]" 1
395 1 48 GLN QG 1 51 VAL MG1 1.800 . 6.500 4.547 3.714 5.614 . 0 0 "[ . 1 . 2]" 1
396 1 50 VAL H 1 51 VAL MG1 1.800 . 6.000 5.726 5.663 5.803 . 0 0 "[ . 1 . 2]" 1
397 1 50 VAL MG2 1 51 VAL MG1 1.800 . 7.000 4.884 4.246 5.073 . 0 0 "[ . 1 . 2]" 1
398 1 52 ARG H 1 52 ARG QB 1.800 . 3.800 2.170 2.072 2.274 . 0 0 "[ . 1 . 2]" 1
399 1 52 ARG H 1 52 ARG QG 1.800 . 5.500 3.673 3.081 4.007 . 0 0 "[ . 1 . 2]" 1
400 1 52 ARG HA 1 52 ARG QG 1.800 . 3.800 2.347 2.013 2.738 . 0 0 "[ . 1 . 2]" 1
401 1 51 VAL HB 1 52 ARG H 1.800 . 3.300 2.803 2.753 2.860 . 0 0 "[ . 1 . 2]" 1
402 1 51 VAL MG1 1 52 ARG H 1.800 . 3.800 3.620 3.482 3.725 . 0 0 "[ . 1 . 2]" 1
403 1 51 VAL MG1 1 52 ARG HA 1.800 . 4.300 3.638 3.486 3.760 . 0 0 "[ . 1 . 2]" 1
404 1 51 VAL MG1 1 52 ARG QG 1.800 . 6.500 4.625 3.615 5.564 . 0 0 "[ . 1 . 2]" 1
405 1 50 VAL MG2 1 52 ARG HA 1.800 . 6.000 6.133 6.083 6.184 0.184 20 0 "[ . 1 . 2]" 1
406 1 49 ALA MB 1 52 ARG QG 1.800 . 6.500 6.203 5.713 6.502 0.002 20 0 "[ . 1 . 2]" 1
407 1 53 GLU H 1 53 GLU QB 1.800 . 3.800 2.239 2.099 2.575 . 0 0 "[ . 1 . 2]" 1
408 1 53 GLU HA 1 53 GLU QG 1.800 . 3.800 2.689 2.305 3.114 . 0 0 "[ . 1 . 2]" 1
409 1 52 ARG QB 1 53 GLU H 1.800 . 5.500 2.868 2.710 2.969 . 0 0 "[ . 1 . 2]" 1
410 1 54 LEU H 1 54 LEU QB 1.800 . 3.800 2.173 2.113 2.320 . 0 0 "[ . 1 . 2]" 1
411 1 54 LEU H 1 54 LEU HG 1.800 . 5.000 4.346 4.107 4.521 . 0 0 "[ . 1 . 2]" 1
412 1 54 LEU H 1 54 LEU MD1 1.800 . 4.300 3.492 3.082 4.151 . 0 0 "[ . 1 . 2]" 1
413 1 54 LEU H 1 54 LEU MD2 1.800 . 6.000 4.430 4.253 4.507 . 0 0 "[ . 1 . 2]" 1
414 1 54 LEU HA 1 54 LEU HG 1.800 . 2.800 2.377 2.135 2.898 0.098 2 0 "[ . 1 . 2]" 1
415 1 54 LEU HA 1 54 LEU MD1 1.800 . 4.300 2.694 2.381 2.974 . 0 0 "[ . 1 . 2]" 1
416 1 54 LEU HA 1 54 LEU MD2 1.800 . 4.300 3.705 3.502 3.952 . 0 0 "[ . 1 . 2]" 1
417 1 54 LEU HB3 1 54 LEU MD1 1.800 . 6.000 3.074 2.997 3.148 . 0 0 "[ . 1 . 2]" 1
418 1 54 LEU HB3 1 54 LEU MD2 1.800 . 6.000 2.070 1.944 2.167 . 0 0 "[ . 1 . 2]" 1
419 1 54 LEU HB2 1 54 LEU MD1 1.800 . 6.000 2.037 1.944 2.220 . 0 0 "[ . 1 . 2]" 1
420 1 54 LEU HB2 1 54 LEU MD2 1.800 . 6.000 2.713 2.580 2.829 . 0 0 "[ . 1 . 2]" 1
421 1 51 VAL HA 1 54 LEU HG 1.800 . 5.000 5.052 4.903 5.097 0.097 16 0 "[ . 1 . 2]" 1
422 1 53 GLU QB 1 54 LEU MD1 1.800 . 6.500 4.443 3.927 5.120 . 0 0 "[ . 1 . 2]" 1
423 1 53 GLU QB 1 54 LEU H 1.800 . 3.800 2.629 2.526 2.779 . 0 0 "[ . 1 . 2]" 1
424 1 50 VAL MG2 1 54 LEU HG 1.800 . 6.000 4.136 3.743 4.720 . 0 0 "[ . 1 . 2]" 1
425 1 50 VAL MG2 1 54 LEU MD1 1.800 . 6.000 2.010 1.769 2.991 0.031 13 0 "[ . 1 . 2]" 1
426 1 55 GLN H 1 55 GLN HB3 1.800 . 3.300 2.907 2.450 3.304 0.004 13 0 "[ . 1 . 2]" 1
427 1 55 GLN H 1 55 GLN QG 1.800 . 5.500 3.784 3.394 4.035 . 0 0 "[ . 1 . 2]" 1
428 1 55 GLN HA 1 55 GLN QG 1.800 . 3.800 2.257 2.003 2.522 . 0 0 "[ . 1 . 2]" 1
429 1 54 LEU QB 1 55 GLN H 1.800 . 3.800 2.360 2.265 2.454 . 0 0 "[ . 1 . 2]" 1
430 1 54 LEU HG 1 55 GLN H 1.800 . 5.000 4.386 3.450 4.721 . 0 0 "[ . 1 . 2]" 1
431 1 54 LEU MD1 1 55 GLN H 1.800 . 6.000 4.667 4.512 4.743 . 0 0 "[ . 1 . 2]" 1
432 1 54 LEU MD2 1 55 GLN H 1.800 . 6.000 3.989 3.562 4.211 . 0 0 "[ . 1 . 2]" 1
433 1 55 GLN HA 1 58 VAL QG 1.800 . 7.000 3.345 1.934 3.753 . 0 0 "[ . 1 . 2]" 1
434 1 56 GLU H 1 56 GLU HB3 1.800 . 3.300 2.934 2.791 3.061 . 0 0 "[ . 1 . 2]" 1
435 1 56 GLU H 1 56 GLU HB2 1.800 . 3.300 2.226 2.137 2.289 . 0 0 "[ . 1 . 2]" 1
436 1 56 GLU H 1 56 GLU QG 1.800 . 5.500 3.811 3.707 3.912 . 0 0 "[ . 1 . 2]" 1
437 1 56 GLU HA 1 56 GLU QG 1.800 . 3.800 2.165 2.031 2.315 . 0 0 "[ . 1 . 2]" 1
438 1 55 GLN HA 1 56 GLU H 1.800 . 5.000 3.456 3.418 3.530 . 0 0 "[ . 1 . 2]" 1
439 1 55 GLN HB3 1 56 GLU H 1.800 . 5.000 3.012 2.458 3.302 . 0 0 "[ . 1 . 2]" 1
440 1 55 GLN HB2 1 56 GLU H 1.800 . 5.000 3.629 3.217 4.055 . 0 0 "[ . 1 . 2]" 1
441 1 55 GLN QG 1 56 GLU H 1.800 . 5.500 4.246 3.732 4.608 . 0 0 "[ . 1 . 2]" 1
442 1 53 GLU HA 1 56 GLU QG 1.800 . 5.500 3.868 3.534 4.142 . 0 0 "[ . 1 . 2]" 1
443 1 53 GLU QG 1 56 GLU HB3 1.800 . 5.000 3.773 2.655 4.745 . 0 0 "[ . 1 . 2]" 1
444 1 53 GLU QG 1 56 GLU HB2 1.800 . 5.000 4.427 3.795 4.974 . 0 0 "[ . 1 . 2]" 1
445 1 57 GLU H 1 57 GLU QB 1.800 . 3.800 2.440 2.259 2.687 . 0 0 "[ . 1 . 2]" 1
446 1 57 GLU H 1 57 GLU QG 1.800 . 5.500 3.222 2.289 3.940 . 0 0 "[ . 1 . 2]" 1
447 1 57 GLU HA 1 57 GLU QG 1.800 . 3.800 2.434 1.994 3.197 . 0 0 "[ . 1 . 2]" 1
448 1 56 GLU HA 1 57 GLU H 1.800 . 5.000 3.467 3.447 3.489 . 0 0 "[ . 1 . 2]" 1
449 1 56 GLU HB3 1 57 GLU H 1.800 . 5.000 3.037 2.968 3.107 . 0 0 "[ . 1 . 2]" 1
450 1 56 GLU HB2 1 57 GLU H 1.800 . 5.000 3.710 3.556 3.851 . 0 0 "[ . 1 . 2]" 1
451 1 56 GLU QG 1 57 GLU H 1.800 . 5.500 4.465 4.243 4.589 . 0 0 "[ . 1 . 2]" 1
452 1 56 GLU HB3 1 57 GLU HA 1.800 . 5.500 4.193 4.178 4.251 . 0 0 "[ . 1 . 2]" 1
453 1 56 GLU HB2 1 57 GLU HA 1.800 . 5.500 5.549 5.504 5.601 0.101 14 0 "[ . 1 . 2]" 1
454 1 55 GLN QB 1 57 GLU H 1.800 . 5.500 4.639 4.358 4.780 . 0 0 "[ . 1 . 2]" 1
455 1 54 LEU MD2 1 57 GLU H 1.800 . 6.000 6.043 5.912 6.091 0.091 15 0 "[ . 1 . 2]" 1
456 1 54 LEU HA 1 57 GLU QG 1.800 . 5.500 4.807 3.556 5.539 0.039 16 0 "[ . 1 . 2]" 1
457 1 58 VAL H 1 58 VAL HB 1.800 . 3.300 2.831 2.753 2.894 . 0 0 "[ . 1 . 2]" 1
458 1 58 VAL H 1 58 VAL MG1 1.800 . 7.000 3.784 2.921 3.955 . 0 0 "[ . 1 . 2]" 1
459 1 58 VAL H 1 58 VAL MG2 1.800 . 7.000 2.950 2.668 3.900 . 0 0 "[ . 1 . 2]" 1
460 1 58 VAL HA 1 58 VAL MG1 1.800 . 7.000 2.368 2.194 3.094 . 0 0 "[ . 1 . 2]" 1
461 1 58 VAL HA 1 58 VAL MG2 1.800 . 7.000 2.417 1.928 2.560 . 0 0 "[ . 1 . 2]" 1
462 1 57 GLU QB 1 58 VAL H 1.800 . 5.500 3.526 3.463 3.574 . 0 0 "[ . 1 . 2]" 1
463 1 57 GLU QG 1 58 VAL H 1.800 . 5.500 4.597 4.146 4.972 . 0 0 "[ . 1 . 2]" 1
464 1 57 GLU QG 1 58 VAL MG2 1.800 . 7.000 4.681 4.116 6.006 . 0 0 "[ . 1 . 2]" 1
465 1 57 GLU QB 1 58 VAL MG2 1.800 . 7.000 3.056 2.686 4.388 . 0 0 "[ . 1 . 2]" 1
466 1 59 GLY H 1 59 GLY HA2 1.800 . 2.800 2.278 2.267 2.287 . 0 0 "[ . 1 . 2]" 1
467 1 58 VAL HB 1 59 GLY H 1.800 . 3.300 2.637 2.492 3.315 0.015 3 0 "[ . 1 . 2]" 1
468 1 58 VAL MG1 1 59 GLY H 1.800 . 7.000 3.344 1.975 3.672 . 0 0 "[ . 1 . 2]" 1
469 1 58 VAL MG1 1 59 GLY HA3 1.800 . 7.000 4.386 3.718 4.631 . 0 0 "[ . 1 . 2]" 1
470 1 58 VAL MG1 1 59 GLY HA2 1.800 . 7.000 4.556 3.346 4.875 . 0 0 "[ . 1 . 2]" 1
471 1 55 GLN HA 1 59 GLY HA3 1.800 . 5.000 4.909 4.611 5.031 0.031 5 0 "[ . 1 . 2]" 1
472 1 55 GLN HA 1 59 GLY HA2 1.800 . 5.000 3.641 3.287 3.818 . 0 0 "[ . 1 . 2]" 1
473 1 58 VAL MG2 1 59 GLY HA3 1.800 . 7.000 5.558 5.249 5.662 . 0 0 "[ . 1 . 2]" 1
474 1 58 VAL MG2 1 59 GLY HA2 1.800 . 7.000 5.538 5.458 5.678 . 0 0 "[ . 1 . 2]" 1
475 1 60 ILE H 1 60 ILE HB 1.800 . 3.300 3.345 2.385 3.478 0.178 12 0 "[ . 1 . 2]" 1
476 1 60 ILE H 1 60 ILE QG 1.800 . 5.500 2.000 1.732 4.142 0.068 17 0 "[ . 1 . 2]" 1
477 1 60 ILE H 1 60 ILE MD 1.800 . 6.000 3.319 2.048 3.945 . 0 0 "[ . 1 . 2]" 1
478 1 60 ILE HA 1 60 ILE MD 1.800 . 6.000 3.832 1.772 4.171 0.028 16 0 "[ . 1 . 2]" 1
479 1 59 GLY HA3 1 60 ILE H 1.800 . 5.000 2.851 2.760 3.390 . 0 0 "[ . 1 . 2]" 1
480 1 59 GLY HA2 1 60 ILE H 1.800 . 3.300 3.462 3.240 3.492 0.192 3 0 "[ . 1 . 2]" 1
481 1 58 VAL MG1 1 60 ILE H 1.800 . 5.000 2.465 2.073 2.647 . 0 0 "[ . 1 . 2]" 1
482 1 58 VAL MG2 1 60 ILE H 1.800 . 5.000 4.453 3.571 4.678 . 0 0 "[ . 1 . 2]" 1
483 1 58 VAL MG1 1 60 ILE MD 1.800 . 7.000 2.342 1.786 4.773 0.014 3 0 "[ . 1 . 2]" 1
484 1 58 VAL MG2 1 60 ILE MG 1.800 . 7.000 5.720 4.094 6.155 . 0 0 "[ . 1 . 2]" 1
485 1 58 VAL MG1 1 60 ILE HB 1.800 . 6.000 3.545 3.265 3.895 . 0 0 "[ . 1 . 2]" 1
486 1 58 VAL MG2 1 60 ILE HB 1.800 . 6.000 5.843 4.535 6.138 0.138 7 0 "[ . 1 . 2]" 1
487 1 61 THR H 1 61 THR HB 1.800 . 3.300 3.441 3.011 3.489 0.189 6 0 "[ . 1 . 2]" 1
488 1 61 THR H 1 61 THR MG 1.800 . 6.000 2.941 1.872 3.199 . 0 0 "[ . 1 . 2]" 1
489 1 61 THR HA 1 61 THR MG 1.800 . 4.300 2.367 2.223 3.221 . 0 0 "[ . 1 . 2]" 1
490 1 60 ILE HA 1 61 THR H 1.800 . 3.300 2.651 2.591 2.742 . 0 0 "[ . 1 . 2]" 1
491 1 60 ILE HB 1 61 THR H 1.800 . 5.000 2.092 1.794 3.734 0.006 14 0 "[ . 1 . 2]" 1
492 1 60 ILE MG 1 61 THR H 1.800 . 6.000 2.736 2.315 2.931 . 0 0 "[ . 1 . 2]" 1
493 1 62 PRO HA 1 62 PRO HD3 1.800 . 5.000 4.046 4.026 4.065 . 0 0 "[ . 1 . 2]" 1
494 1 62 PRO HA 1 62 PRO HD2 1.800 . 5.000 3.910 3.868 3.936 . 0 0 "[ . 1 . 2]" 1
495 1 63 GLN H 1 63 GLN HG3 1.800 . 3.800 2.615 1.962 3.950 0.150 17 0 "[ . 1 . 2]" 1
496 1 63 GLN H 1 63 GLN HG2 1.800 . 3.800 3.636 3.139 3.843 0.043 19 0 "[ . 1 . 2]" 1
497 1 62 PRO HA 1 63 GLN H 1.800 . 5.000 2.246 2.181 2.296 . 0 0 "[ . 1 . 2]" 1
498 1 62 PRO QB 1 63 GLN H 1.800 . 5.000 2.999 2.746 3.312 . 0 0 "[ . 1 . 2]" 1
499 1 62 PRO QG 1 63 GLN H 1.800 . 5.000 4.336 4.149 4.599 . 0 0 "[ . 1 . 2]" 1
500 1 62 PRO QD 1 63 GLN H 1.800 . 5.000 4.698 4.628 4.745 . 0 0 "[ . 1 . 2]" 1
501 1 64 HIS H 1 64 HIS HB3 1.800 . 3.300 2.406 2.269 2.484 . 0 0 "[ . 1 . 2]" 1
502 1 63 GLN H 1 64 HIS H 1.800 . 3.800 3.805 3.762 3.827 0.027 2 0 "[ . 1 . 2]" 1
503 1 63 GLN HA 1 64 HIS H 1.800 . 5.000 2.252 2.209 2.290 . 0 0 "[ . 1 . 2]" 1
504 1 63 GLN QB 1 64 HIS H 1.800 . 5.500 3.818 3.786 3.935 . 0 0 "[ . 1 . 2]" 1
505 1 63 GLN HG3 1 64 HIS H 1.800 . 5.000 4.925 4.146 5.089 0.089 19 0 "[ . 1 . 2]" 1
506 1 63 GLN HG2 1 64 HIS H 1.800 . 5.000 4.861 4.507 5.013 0.013 20 0 "[ . 1 . 2]" 1
507 1 62 PRO HA 1 64 HIS H 1.800 . 5.000 4.735 4.593 4.828 . 0 0 "[ . 1 . 2]" 1
508 1 62 PRO HB3 1 64 HIS HB3 1.800 . 5.000 4.728 4.659 4.860 . 0 0 "[ . 1 . 2]" 1
509 1 62 PRO HB2 1 64 HIS HB3 1.800 . 5.000 3.396 3.205 3.510 . 0 0 "[ . 1 . 2]" 1
510 1 62 PRO HB3 1 64 HIS HB2 1.800 . 5.000 4.352 4.009 4.456 . 0 0 "[ . 1 . 2]" 1
511 1 62 PRO HB2 1 64 HIS HB2 1.800 . 5.000 2.771 2.344 2.894 . 0 0 "[ . 1 . 2]" 1
512 1 62 PRO HD3 1 64 HIS HB3 1.800 . 5.000 2.096 1.979 2.388 . 0 0 "[ . 1 . 2]" 1
513 1 62 PRO HD3 1 64 HIS HB2 1.800 . 5.500 5.575 5.535 5.608 0.108 6 0 "[ . 1 . 2]" 1
514 1 62 PRO HD2 1 64 HIS HB2 1.800 . 5.500 4.810 4.755 4.889 . 0 0 "[ . 1 . 2]" 1
515 1 65 PHE H 1 65 PHE HB3 1.800 . 3.300 3.465 3.397 3.499 0.199 8 0 "[ . 1 . 2]" 1
516 1 65 PHE H 1 65 PHE QD 1.800 . 6.400 4.295 4.224 4.364 . 0 0 "[ . 1 . 2]" 1
517 1 65 PHE HA 1 65 PHE QD 1.800 . 8.100 2.052 1.881 2.357 . 0 0 "[ . 1 . 2]" 1
518 1 64 HIS HA 1 65 PHE H 1.800 . 2.800 2.164 2.147 2.194 . 0 0 "[ . 1 . 2]" 1
519 1 64 HIS H 1 65 PHE H 1.800 . 5.000 4.349 4.310 4.383 . 0 0 "[ . 1 . 2]" 1
520 1 64 HIS H 1 65 PHE QD 1.800 . 7.100 5.191 4.852 5.475 . 0 0 "[ . 1 . 2]" 1
521 1 64 HIS HA 1 65 PHE QD 1.800 . 7.100 5.407 5.163 5.691 . 0 0 "[ . 1 . 2]" 1
522 1 65 PHE HA 1 66 SER H 1.800 . 3.300 2.667 2.606 2.723 . 0 0 "[ . 1 . 2]" 1
523 1 65 PHE HB3 1 66 SER H 1.800 . 5.000 2.420 2.300 2.587 . 0 0 "[ . 1 . 2]" 1
524 1 65 PHE HB2 1 66 SER H 1.800 . 5.000 3.648 3.573 3.702 . 0 0 "[ . 1 . 2]" 1
525 1 65 PHE QD 1 66 SER H 1.800 . 8.100 2.533 1.945 2.887 . 0 0 "[ . 1 . 2]" 1
526 1 67 LEU H 1 67 LEU QB 1.800 . 3.300 2.612 2.355 2.962 . 0 0 "[ . 1 . 2]" 1
527 1 67 LEU H 1 67 LEU HG 1.800 . 5.000 3.314 2.262 4.532 . 0 0 "[ . 1 . 2]" 1
528 1 67 LEU H 1 67 LEU MD2 1.800 . 3.800 3.206 1.996 3.802 0.002 19 0 "[ . 1 . 2]" 1
529 1 67 LEU H 1 67 LEU MD1 1.800 . 6.000 4.177 3.711 4.621 . 0 0 "[ . 1 . 2]" 1
530 1 66 SER HA 1 67 LEU H 1.800 . 2.800 2.342 2.201 2.434 . 0 0 "[ . 1 . 2]" 1
531 1 66 SER QB 1 67 LEU H 1.800 . 3.800 2.978 2.445 3.782 . 0 0 "[ . 1 . 2]" 1
532 1 68 PHE H 1 68 PHE QE 1.800 . 7.100 5.418 5.282 5.528 . 0 0 "[ . 1 . 2]" 1
533 1 68 PHE H 1 68 PHE QD 1.800 . 5.400 3.161 3.005 3.293 . 0 0 "[ . 1 . 2]" 1
534 1 68 PHE HA 1 68 PHE QD 1.800 . 7.100 3.525 3.447 3.575 . 0 0 "[ . 1 . 2]" 1
535 1 67 LEU HA 1 68 PHE H 1.800 . 3.300 2.162 2.136 2.205 . 0 0 "[ . 1 . 2]" 1
536 1 67 LEU MD1 1 68 PHE H 1.800 . 6.000 4.161 3.637 4.606 . 0 0 "[ . 1 . 2]" 1
537 1 67 LEU MD2 1 68 PHE H 1.800 . 6.000 4.722 3.847 5.335 . 0 0 "[ . 1 . 2]" 1
538 1 67 LEU HG 1 68 PHE H 1.800 . 5.000 3.958 2.997 4.720 . 0 0 "[ . 1 . 2]" 1
539 1 67 LEU HB3 1 68 PHE H 1.800 . 5.000 4.397 4.147 4.539 . 0 0 "[ . 1 . 2]" 1
540 1 67 LEU HB2 1 68 PHE H 1.800 . 5.000 3.784 3.246 4.353 . 0 0 "[ . 1 . 2]" 1
541 1 67 LEU MD1 1 68 PHE QD 1.800 . 7.100 5.024 4.504 5.551 . 0 0 "[ . 1 . 2]" 1
542 1 67 LEU MD1 1 68 PHE QE 1.800 . 7.100 6.279 5.881 6.763 . 0 0 "[ . 1 . 2]" 1
543 1 69 GLU H 1 69 GLU HG3 1.800 . 5.000 4.716 4.459 5.004 0.004 6 0 "[ . 1 . 2]" 1
544 1 69 GLU H 1 69 GLU HG2 1.800 . 5.000 4.822 4.544 4.998 . 0 0 "[ . 1 . 2]" 1
545 1 69 GLU HA 1 69 GLU HG3 1.800 . 3.300 2.521 2.181 3.101 . 0 0 "[ . 1 . 2]" 1
546 1 69 GLU HA 1 69 GLU HG2 1.800 . 3.300 2.631 2.050 3.060 . 0 0 "[ . 1 . 2]" 1
547 1 68 PHE HA 1 69 GLU H 1.800 . 5.000 3.504 3.476 3.561 . 0 0 "[ . 1 . 2]" 1
548 1 68 PHE H 1 69 GLU H 1.800 . 3.300 2.440 2.342 2.599 . 0 0 "[ . 1 . 2]" 1
549 1 68 PHE HB3 1 69 GLU H 1.800 . 5.000 3.183 3.038 3.335 . 0 0 "[ . 1 . 2]" 1
550 1 68 PHE HB2 1 69 GLU H 1.800 . 5.000 4.164 3.999 4.236 . 0 0 "[ . 1 . 2]" 1
551 1 68 PHE QD 1 69 GLU H 1.800 . 5.400 2.059 2.014 2.130 . 0 0 "[ . 1 . 2]" 1
552 1 67 LEU HA 1 69 GLU H 1.800 . 5.000 3.768 3.654 4.151 . 0 0 "[ . 1 . 2]" 1
553 1 67 LEU HG 1 69 GLU H 1.800 . 5.000 3.886 2.385 5.017 0.017 13 0 "[ . 1 . 2]" 1
554 1 67 LEU MD1 1 69 GLU H 1.800 . 6.000 3.473 2.739 4.149 . 0 0 "[ . 1 . 2]" 1
555 1 67 LEU MD2 1 69 GLU H 1.800 . 6.000 4.453 2.924 5.702 . 0 0 "[ . 1 . 2]" 1
556 1 70 LYS H 1 70 LYS QB 1.800 . 3.800 3.117 2.395 3.285 . 0 0 "[ . 1 . 2]" 1
557 1 70 LYS H 1 70 LYS QG 1.800 . 5.500 2.522 2.054 3.688 . 0 0 "[ . 1 . 2]" 1
558 1 70 LYS HA 1 70 LYS QE 1.800 . 5.500 4.854 3.646 5.511 0.011 13 0 "[ . 1 . 2]" 1
559 1 69 GLU QB 1 70 LYS H 1.800 . 3.300 3.085 2.945 3.327 0.027 20 0 "[ . 1 . 2]" 1
560 1 69 GLU HA 1 70 LYS QB 1.800 . 5.500 4.337 3.924 4.705 . 0 0 "[ . 1 . 2]" 1
561 1 69 GLU HA 1 70 LYS QG 1.800 . 5.500 3.866 3.028 5.545 0.045 16 0 "[ . 1 . 2]" 1
562 1 68 PHE QE 1 70 LYS HA 1.800 . 5.400 5.419 5.401 5.435 0.035 7 0 "[ . 1 . 2]" 1
563 1 68 PHE QD 1 70 LYS HA 1.800 . 7.100 5.350 5.264 5.536 . 0 0 "[ . 1 . 2]" 1
564 1 71 LEU H 1 71 LEU QB 1.800 . 3.800 2.207 2.091 2.310 . 0 0 "[ . 1 . 2]" 1
565 1 71 LEU H 1 71 LEU HG 1.800 . 4.300 4.208 3.589 4.559 0.259 10 0 "[ . 1 . 2]" 1
566 1 71 LEU H 1 71 LEU MD1 1.800 . 6.000 4.194 3.276 4.550 . 0 0 "[ . 1 . 2]" 1
567 1 71 LEU H 1 71 LEU MD2 1.800 . 6.000 4.055 3.891 4.194 . 0 0 "[ . 1 . 2]" 1
568 1 71 LEU HA 1 71 LEU MD1 1.800 . 6.000 3.011 2.583 3.568 . 0 0 "[ . 1 . 2]" 1
569 1 71 LEU HA 1 71 LEU MD2 1.800 . 6.000 3.535 2.074 4.097 . 0 0 "[ . 1 . 2]" 1
570 1 71 LEU QB 1 71 LEU MD1 1.800 . 4.300 2.102 2.068 2.157 . 0 0 "[ . 1 . 2]" 1
571 1 71 LEU QB 1 71 LEU MD2 1.800 . 4.300 2.126 1.981 2.444 . 0 0 "[ . 1 . 2]" 1
572 1 70 LYS QG 1 71 LEU H 1.800 . 5.500 4.261 2.779 4.859 . 0 0 "[ . 1 . 2]" 1
573 1 70 LYS QB 1 71 LEU H 1.800 . 5.500 3.179 3.100 3.675 . 0 0 "[ . 1 . 2]" 1
574 1 70 LYS QD 1 71 LEU H 1.800 . 7.000 4.834 3.773 5.623 . 0 0 "[ . 1 . 2]" 1
575 1 72 GLU H 1 72 GLU QG 1.800 . 3.800 3.960 3.645 3.995 0.195 5 0 "[ . 1 . 2]" 1
576 1 72 GLU HA 1 72 GLU QG 1.800 . 5.500 2.489 2.105 2.599 . 0 0 "[ . 1 . 2]" 1
577 1 71 LEU QB 1 72 GLU H 1.800 . 3.800 3.740 3.627 3.797 . 0 0 "[ . 1 . 2]" 1
578 1 71 LEU MD2 1 72 GLU H 1.800 . 5.000 4.075 2.128 5.007 0.007 9 0 "[ . 1 . 2]" 1
579 1 71 LEU MD1 1 72 GLU H 1.800 . 5.000 3.362 2.677 3.989 . 0 0 "[ . 1 . 2]" 1
580 1 73 TYR H 1 73 TYR QB 1.800 . 3.800 2.726 2.689 3.107 . 0 0 "[ . 1 . 2]" 1
581 1 73 TYR H 1 73 TYR QD 1.800 . 7.100 4.270 1.985 4.474 . 0 0 "[ . 1 . 2]" 1
582 1 73 TYR HA 1 73 TYR QD 1.800 . 4.900 2.277 1.909 3.680 . 0 0 "[ . 1 . 2]" 1
583 1 72 GLU QG 1 73 TYR H 1.800 . 3.800 3.257 3.206 3.812 0.012 7 0 "[ . 1 . 2]" 1
584 1 72 GLU QB 1 73 TYR H 1.800 . 5.500 3.890 3.592 3.923 . 0 0 "[ . 1 . 2]" 1
585 1 71 LEU MD1 1 73 TYR QD 1.800 . 5.900 4.207 3.261 4.771 . 0 0 "[ . 1 . 2]" 1
586 1 71 LEU MD1 1 73 TYR QE 1.800 . 8.100 5.613 4.196 6.496 . 0 0 "[ . 1 . 2]" 1
587 1 71 LEU MD1 1 73 TYR QB 1.800 . 6.000 2.821 2.087 3.697 . 0 0 "[ . 1 . 2]" 1
588 1 71 LEU MD2 1 73 TYR QB 1.800 . 6.000 3.216 2.100 4.100 . 0 0 "[ . 1 . 2]" 1
589 1 71 LEU QB 1 73 TYR QB 1.800 . 6.000 4.953 4.788 5.332 . 0 0 "[ . 1 . 2]" 1
590 1 74 GLU H 1 74 GLU HG3 1.800 . 3.300 3.122 2.790 3.315 0.015 9 0 "[ . 1 . 2]" 1
591 1 74 GLU H 1 74 GLU HG2 1.800 . 3.300 1.876 1.769 1.942 0.031 9 0 "[ . 1 . 2]" 1
592 1 73 TYR QB 1 74 GLU H 1.800 . 5.500 3.634 2.995 3.775 . 0 0 "[ . 1 . 2]" 1
593 1 73 TYR QD 1 74 GLU H 1.800 . 7.100 3.308 2.357 4.296 . 0 0 "[ . 1 . 2]" 1
594 1 75 PHE H 1 75 PHE HB3 1.800 . 3.300 3.422 3.367 3.461 0.161 7 0 "[ . 1 . 2]" 1
595 1 75 PHE H 1 75 PHE HB2 1.800 . 3.300 2.156 2.115 2.202 . 0 0 "[ . 1 . 2]" 1
596 1 74 GLU QB 1 75 PHE H 1.800 . 3.800 3.300 2.859 3.471 . 0 0 "[ . 1 . 2]" 1
597 1 74 GLU HG3 1 75 PHE H 1.800 . 5.000 4.949 4.684 5.010 0.010 12 0 "[ . 1 . 2]" 1
598 1 74 GLU HG2 1 75 PHE H 1.800 . 5.000 5.027 4.940 5.066 0.066 20 0 "[ . 1 . 2]" 1
599 1 73 TYR QE 1 75 PHE QE 1.800 . 9.000 2.814 1.954 3.622 . 0 0 "[ . 1 . 2]" 1
600 1 73 TYR QE 1 75 PHE HZ 1.800 . 6.000 3.056 2.284 4.117 . 0 0 "[ . 1 . 2]" 1
601 1 73 TYR QD 1 75 PHE QE 1.800 . 9.000 2.810 1.971 4.329 . 0 0 "[ . 1 . 2]" 1
602 1 73 TYR QD 1 75 PHE HZ 1.800 . 6.000 3.945 3.232 4.661 . 0 0 "[ . 1 . 2]" 1
603 1 76 PRO HA 1 76 PRO HD3 1.800 . 5.000 3.084 2.963 3.285 . 0 0 "[ . 1 . 2]" 1
604 1 76 PRO HA 1 76 PRO HD2 1.800 . 5.000 3.949 3.896 4.025 . 0 0 "[ . 1 . 2]" 1
605 1 75 PHE HA 1 76 PRO HD3 1.800 . 3.800 2.772 2.675 2.871 . 0 0 "[ . 1 . 2]" 1
606 1 75 PHE HA 1 76 PRO HD2 1.800 . 3.800 2.279 2.218 2.365 . 0 0 "[ . 1 . 2]" 1
607 1 75 PHE QD 1 76 PRO QG 1.800 . 7.500 3.276 2.631 3.673 . 0 0 "[ . 1 . 2]" 1
608 1 75 PHE QE 1 76 PRO QG 1.800 . 7.500 4.921 4.333 5.199 . 0 0 "[ . 1 . 2]" 1
609 1 77 ASP H 1 77 ASP QB 1.800 . 3.800 3.341 3.127 3.521 . 0 0 "[ . 1 . 2]" 1
610 1 76 PRO HA 1 77 ASP H 1.800 . 3.300 2.381 2.278 3.464 0.164 14 0 "[ . 1 . 2]" 1
611 1 76 PRO HB3 1 77 ASP H 1.800 . 5.000 4.379 4.246 4.424 . 0 0 "[ . 1 . 2]" 1
612 1 76 PRO HB2 1 77 ASP H 1.800 . 5.000 4.195 3.181 4.295 . 0 0 "[ . 1 . 2]" 1
613 1 76 PRO QG 1 77 ASP H 1.800 . 5.500 4.770 2.997 4.934 . 0 0 "[ . 1 . 2]" 1
614 1 76 PRO HD3 1 77 ASP H 1.800 . 5.000 4.796 4.294 4.999 . 0 0 "[ . 1 . 2]" 1
615 1 76 PRO HD2 1 77 ASP H 1.800 . 5.000 5.047 3.562 5.151 0.151 3 0 "[ . 1 . 2]" 1
616 1 78 ARG H 1 78 ARG QG 1.800 . 5.500 4.006 3.786 4.227 . 0 0 "[ . 1 . 2]" 1
617 1 78 ARG HA 1 78 ARG QG 1.800 . 3.800 2.163 2.066 2.302 . 0 0 "[ . 1 . 2]" 1
618 1 77 ASP H 1 78 ARG H 1.800 . 3.300 2.773 1.914 3.328 0.028 4 0 "[ . 1 . 2]" 1
619 1 77 ASP HA 1 78 ARG H 1.800 . 5.000 3.336 2.876 3.557 . 0 0 "[ . 1 . 2]" 1
620 1 76 PRO QG 1 78 ARG HB3 1.800 . 5.500 5.510 5.366 5.546 0.046 5 0 "[ . 1 . 2]" 1
621 1 76 PRO QG 1 78 ARG HB2 1.800 . 5.500 5.219 4.814 5.524 0.024 14 0 "[ . 1 . 2]" 1
622 1 79 HIS H 1 79 HIS QB 1.800 . 3.800 2.600 2.102 2.911 . 0 0 "[ . 1 . 2]" 1
623 1 78 ARG QB 1 79 HIS H 1.800 . 5.500 3.563 3.216 3.986 . 0 0 "[ . 1 . 2]" 1
624 1 78 ARG QG 1 79 HIS H 1.800 . 5.500 2.777 2.009 3.658 . 0 0 "[ . 1 . 2]" 1
625 1 80 ILE H 1 80 ILE QG 1.800 . 3.800 3.928 3.880 3.977 0.177 19 0 "[ . 1 . 2]" 1
626 1 80 ILE H 1 80 ILE MD 1.800 . 6.000 4.714 4.649 4.753 . 0 0 "[ . 1 . 2]" 1
627 1 80 ILE H 1 80 ILE MG 1.800 . 4.300 2.111 1.954 2.218 . 0 0 "[ . 1 . 2]" 1
628 1 80 ILE HA 1 80 ILE HB 1.800 . 2.800 2.389 2.345 2.437 . 0 0 "[ . 1 . 2]" 1
629 1 80 ILE HA 1 80 ILE MD 1.800 . 6.000 3.590 3.426 3.781 . 0 0 "[ . 1 . 2]" 1
630 1 80 ILE HA 1 80 ILE MG 1.800 . 4.300 3.191 3.179 3.204 . 0 0 "[ . 1 . 2]" 1
631 1 79 HIS QB 1 80 ILE H 1.800 . 5.500 3.360 2.626 3.961 . 0 0 "[ . 1 . 2]" 1
632 1 81 THR H 1 81 THR HB 1.800 . 3.300 3.339 2.631 3.484 0.184 13 0 "[ . 1 . 2]" 1
633 1 81 THR H 1 81 THR MG 1.800 . 6.000 3.728 3.539 3.815 . 0 0 "[ . 1 . 2]" 1
634 1 81 THR HA 1 81 THR MG 1.800 . 6.000 2.143 1.996 2.643 . 0 0 "[ . 1 . 2]" 1
635 1 80 ILE HG13 1 81 THR H 1.800 . 5.000 2.230 2.001 2.501 . 0 0 "[ . 1 . 2]" 1
636 1 80 ILE HG12 1 81 THR H 1.800 . 5.000 3.252 2.849 3.542 . 0 0 "[ . 1 . 2]" 1
637 1 80 ILE MD 1 81 THR H 1.800 . 6.000 3.901 3.681 4.117 . 0 0 "[ . 1 . 2]" 1
638 1 80 ILE HG12 1 81 THR HA 1.800 . 6.000 3.831 3.526 4.060 . 0 0 "[ . 1 . 2]" 1
639 1 80 ILE MG 1 81 THR HA 1.800 . 6.000 4.052 3.851 4.235 . 0 0 "[ . 1 . 2]" 1
640 1 82 LEU H 1 82 LEU QB 1.800 . 5.500 2.414 2.298 2.690 . 0 0 "[ . 1 . 2]" 1
641 1 82 LEU H 1 82 LEU MD1 1.800 . 4.300 3.847 3.347 4.166 . 0 0 "[ . 1 . 2]" 1
642 1 82 LEU H 1 82 LEU MD2 1.800 . 6.000 4.224 3.639 4.501 . 0 0 "[ . 1 . 2]" 1
643 1 81 THR H 1 82 LEU H 1.800 . 5.000 4.167 4.136 4.283 . 0 0 "[ . 1 . 2]" 1
644 1 81 THR MG 1 82 LEU H 1.800 . 6.000 3.429 2.787 3.718 . 0 0 "[ . 1 . 2]" 1
645 1 82 LEU HA 1 82 LEU MD1 1.800 . 6.000 3.437 1.881 3.968 . 0 0 "[ . 1 . 2]" 1
646 1 82 LEU HA 1 82 LEU MD2 1.800 . 6.000 2.492 1.960 3.779 . 0 0 "[ . 1 . 2]" 1
647 1 80 ILE MG 1 82 LEU MD1 1.800 . 6.000 4.325 3.561 6.039 0.039 12 0 "[ . 1 . 2]" 1
648 1 83 TRP H 1 83 TRP HE1 1.800 . 5.000 4.901 4.409 5.067 0.067 7 0 "[ . 1 . 2]" 1
649 1 83 TRP H 1 83 TRP HD1 1.800 . 5.000 2.641 2.544 2.985 . 0 0 "[ . 1 . 2]" 1
650 1 82 LEU QB 1 83 TRP H 1.800 . 5.500 3.532 3.381 3.737 . 0 0 "[ . 1 . 2]" 1
651 1 82 LEU MD1 1 83 TRP H 1.800 . 6.000 4.801 2.480 5.413 . 0 0 "[ . 1 . 2]" 1
652 1 82 LEU MD2 1 83 TRP H 1.800 . 6.000 3.716 3.127 4.965 . 0 0 "[ . 1 . 2]" 1
653 1 84 PHE H 1 84 PHE QD 1.800 . 5.400 2.629 2.225 2.909 . 0 0 "[ . 1 . 2]" 1
654 1 84 PHE H 1 84 PHE QE 1.800 . 7.100 4.850 4.545 5.036 . 0 0 "[ . 1 . 2]" 1
655 1 84 PHE HA 1 84 PHE QD 1.800 . 7.100 2.551 2.218 2.968 . 0 0 "[ . 1 . 2]" 1
656 1 83 TRP HB3 1 84 PHE H 1.800 . 5.000 3.420 3.383 3.485 . 0 0 "[ . 1 . 2]" 1
657 1 83 TRP HB2 1 84 PHE H 1.800 . 5.000 4.228 3.968 4.320 . 0 0 "[ . 1 . 2]" 1
658 1 83 TRP HD1 1 84 PHE H 1.800 . 5.000 4.981 4.755 5.065 0.065 7 0 "[ . 1 . 2]" 1
659 1 82 LEU MD1 1 84 PHE QE 1.800 . 6.400 3.161 2.143 3.718 . 0 0 "[ . 1 . 2]" 1
660 1 82 LEU MD2 1 84 PHE QE 1.800 . 6.400 2.647 1.905 3.638 . 0 0 "[ . 1 . 2]" 1
661 1 82 LEU MD1 1 84 PHE HZ 1.800 . 4.300 3.939 3.518 4.356 0.056 7 0 "[ . 1 . 2]" 1
662 1 82 LEU MD2 1 84 PHE HZ 1.800 . 4.300 3.879 1.878 4.325 0.025 12 0 "[ . 1 . 2]" 1
663 1 85 TRP H 1 85 TRP HE1 1.800 . 5.000 5.005 4.942 5.038 0.038 18 0 "[ . 1 . 2]" 1
664 1 84 PHE QD 1 85 TRP H 1.800 . 7.100 4.414 4.230 4.585 . 0 0 "[ . 1 . 2]" 1
665 1 86 LEU H 1 86 LEU QB 1.800 . 5.500 2.296 2.231 2.637 . 0 0 "[ . 1 . 2]" 1
666 1 86 LEU H 1 86 LEU MD1 1.800 . 7.000 4.093 3.780 4.236 . 0 0 "[ . 1 . 2]" 1
667 1 85 TRP HB3 1 86 LEU H 1.800 . 5.000 3.446 3.150 3.640 . 0 0 "[ . 1 . 2]" 1
668 1 85 TRP HB2 1 86 LEU H 1.800 . 5.000 4.308 4.111 4.419 . 0 0 "[ . 1 . 2]" 1
669 1 85 TRP HE3 1 86 LEU H 1.800 . 5.000 4.289 4.045 4.800 . 0 0 "[ . 1 . 2]" 1
670 1 87 VAL H 1 87 VAL MG1 1.800 . 6.000 3.760 3.730 3.771 . 0 0 "[ . 1 . 2]" 1
671 1 87 VAL H 1 87 VAL MG2 1.800 . 4.300 1.995 1.904 2.131 . 0 0 "[ . 1 . 2]" 1
672 1 86 LEU QB 1 87 VAL H 1.800 . 5.000 3.900 3.575 3.957 . 0 0 "[ . 1 . 2]" 1
673 1 86 LEU HG 1 87 VAL H 1.800 . 5.500 4.308 3.608 5.266 . 0 0 "[ . 1 . 2]" 1
674 1 86 LEU MD1 1 87 VAL H 1.800 . 4.300 3.402 2.913 4.259 . 0 0 "[ . 1 . 2]" 1
675 1 88 GLU H 1 88 GLU QG 1.800 . 5.500 2.639 1.953 4.075 . 0 0 "[ . 1 . 2]" 1
676 1 88 GLU HA 1 88 GLU QG 1.800 . 5.500 2.776 2.413 3.336 . 0 0 "[ . 1 . 2]" 1
677 1 87 VAL MG1 1 88 GLU H 1.800 . 4.300 1.960 1.923 2.019 . 0 0 "[ . 1 . 2]" 1
678 1 87 VAL HB 1 88 GLU H 1.800 . 5.000 3.731 3.690 3.766 . 0 0 "[ . 1 . 2]" 1
679 1 87 VAL HB 1 88 GLU HA 1.800 . 4.300 4.501 4.458 4.539 0.239 18 0 "[ . 1 . 2]" 1
680 1 89 ARG H 1 89 ARG QG 1.800 . 5.500 3.625 2.433 4.029 . 0 0 "[ . 1 . 2]" 1
681 1 89 ARG HA 1 89 ARG QG 1.800 . 5.500 3.205 2.879 3.386 . 0 0 "[ . 1 . 2]" 1
682 1 88 GLU QB 1 89 ARG H 1.800 . 5.500 3.080 2.766 3.710 . 0 0 "[ . 1 . 2]" 1
683 1 88 GLU QG 1 89 ARG H 1.800 . 3.800 3.542 2.390 3.818 0.018 10 0 "[ . 1 . 2]" 1
684 1 88 GLU HA 1 89 ARG H 1.800 . 5.000 3.560 3.462 3.600 . 0 0 "[ . 1 . 2]" 1
685 1 88 GLU H 1 89 ARG H 1.800 . 3.300 2.231 2.186 2.316 . 0 0 "[ . 1 . 2]" 1
686 1 88 GLU H 1 89 ARG HA 1.800 . 5.000 4.796 4.761 4.851 . 0 0 "[ . 1 . 2]" 1
687 1 88 GLU H 1 89 ARG QB 1.800 . 6.000 4.555 4.245 5.263 . 0 0 "[ . 1 . 2]" 1
688 1 88 GLU H 1 89 ARG QG 1.800 . 6.000 5.475 3.859 5.833 . 0 0 "[ . 1 . 2]" 1
689 1 87 VAL HA 1 89 ARG H 1.800 . 5.000 4.198 4.024 4.311 . 0 0 "[ . 1 . 2]" 1
690 1 87 VAL MG1 1 89 ARG H 1.800 . 6.000 2.419 2.143 2.564 . 0 0 "[ . 1 . 2]" 1
691 1 90 TRP H 1 90 TRP HB3 1.800 . 3.300 3.188 3.156 3.224 . 0 0 "[ . 1 . 2]" 1
692 1 90 TRP H 1 90 TRP HD1 1.800 . 5.000 4.562 4.387 4.728 . 0 0 "[ . 1 . 2]" 1
693 1 89 ARG HA 1 90 TRP H 1.800 . 2.800 2.426 2.387 2.444 . 0 0 "[ . 1 . 2]" 1
694 1 89 ARG H 1 90 TRP H 1.800 . 5.000 4.403 4.388 4.423 . 0 0 "[ . 1 . 2]" 1
695 1 89 ARG QB 1 90 TRP H 1.800 . 5.500 3.026 2.475 3.280 . 0 0 "[ . 1 . 2]" 1
696 1 89 ARG QG 1 90 TRP H 1.800 . 5.500 2.572 1.901 4.279 . 0 0 "[ . 1 . 2]" 1
697 1 87 VAL MG1 1 90 TRP HE3 1.800 . 6.000 3.600 3.434 3.797 . 0 0 "[ . 1 . 2]" 1
698 1 89 ARG H 1 90 TRP HE3 1.800 . 5.000 5.077 5.053 5.112 0.112 19 0 "[ . 1 . 2]" 1
699 1 91 GLU H 1 91 GLU QB 1.800 . 3.800 2.295 2.166 2.499 . 0 0 "[ . 1 . 2]" 1
700 1 91 GLU H 1 91 GLU QG 1.800 . 5.500 3.442 2.289 4.051 . 0 0 "[ . 1 . 2]" 1
701 1 91 GLU HA 1 91 GLU QG 1.800 . 5.500 2.433 2.149 3.454 . 0 0 "[ . 1 . 2]" 1
702 1 90 TRP HA 1 91 GLU H 1.800 . 3.300 2.166 2.124 2.260 . 0 0 "[ . 1 . 2]" 1
703 1 90 TRP HB3 1 91 GLU H 1.800 . 5.000 4.340 4.111 4.481 . 0 0 "[ . 1 . 2]" 1
704 1 90 TRP HB2 1 91 GLU H 1.800 . 5.000 3.300 2.880 3.539 . 0 0 "[ . 1 . 2]" 1
705 1 90 TRP HD1 1 91 GLU H 1.800 . 5.000 3.771 3.515 4.007 . 0 0 "[ . 1 . 2]" 1
706 1 91 GLU HA 1 92 GLY H 1.800 . 2.800 2.266 2.145 2.351 . 0 0 "[ . 1 . 2]" 1
707 1 91 GLU H 1 92 GLY H 1.800 . 5.000 4.601 4.426 4.631 . 0 0 "[ . 1 . 2]" 1
708 1 91 GLU QG 1 92 GLY H 1.800 . 5.500 2.851 1.970 4.308 . 0 0 "[ . 1 . 2]" 1
709 1 91 GLU QB 1 92 GLY H 1.800 . 5.500 3.212 2.503 3.579 . 0 0 "[ . 1 . 2]" 1
710 1 90 TRP HD1 1 92 GLY H 1.800 . 5.000 4.346 3.562 4.675 . 0 0 "[ . 1 . 2]" 1
711 1 93 GLU H 1 93 GLU QB 1.800 . 3.800 2.584 2.417 2.782 . 0 0 "[ . 1 . 2]" 1
712 1 93 GLU H 1 93 GLU HG3 1.800 . 5.000 3.895 2.614 4.842 . 0 0 "[ . 1 . 2]" 1
713 1 93 GLU H 1 93 GLU HG2 1.800 . 5.000 4.343 3.814 4.944 . 0 0 "[ . 1 . 2]" 1
714 1 93 GLU HA 1 93 GLU HG3 1.800 . 3.300 2.731 2.064 3.306 0.006 3 0 "[ . 1 . 2]" 1
715 1 93 GLU HA 1 93 GLU HG2 1.800 . 3.300 2.860 2.140 3.329 0.029 19 0 "[ . 1 . 2]" 1
716 1 92 GLY HA3 1 93 GLU H 1.800 . 3.300 2.141 2.130 2.178 . 0 0 "[ . 1 . 2]" 1
717 1 92 GLY HA2 1 93 GLU H 1.800 . 3.300 3.244 3.082 3.347 0.047 16 0 "[ . 1 . 2]" 1
718 1 92 GLY H 1 93 GLU H 1.800 . 5.000 4.497 4.366 4.605 . 0 0 "[ . 1 . 2]" 1
719 1 90 TRP HE1 1 93 GLU HA 1.800 . 3.800 2.442 2.051 2.879 . 0 0 "[ . 1 . 2]" 1
720 1 93 GLU HA 1 94 PRO HD3 1.800 . 3.800 1.815 1.794 1.977 0.006 17 0 "[ . 1 . 2]" 1
721 1 93 GLU HA 1 94 PRO HD2 1.800 . 3.800 2.933 2.672 3.001 . 0 0 "[ . 1 . 2]" 1
722 1 90 TRP HE1 1 94 PRO HD3 1.800 . 5.000 2.020 1.945 2.149 . 0 0 "[ . 1 . 2]" 1
723 1 90 TRP HE1 1 94 PRO HD2 1.800 . 3.800 3.721 3.652 3.820 0.020 17 0 "[ . 1 . 2]" 1
724 1 95 TRP H 1 95 TRP QB 1.800 . 3.800 3.198 3.139 3.305 . 0 0 "[ . 1 . 2]" 1
725 1 95 TRP H 1 95 TRP HD1 1.800 . 3.300 3.159 3.034 3.306 0.006 11 0 "[ . 1 . 2]" 1
726 1 94 PRO HA 1 95 TRP H 1.800 . 3.800 2.199 2.175 2.309 . 0 0 "[ . 1 . 2]" 1
727 1 94 PRO QB 1 95 TRP H 1.800 . 5.500 3.327 3.003 3.379 . 0 0 "[ . 1 . 2]" 1
728 1 94 PRO QD 1 95 TRP HA 1.800 . 5.000 5.055 5.011 5.092 0.092 14 0 "[ . 1 . 2]" 1
729 1 95 TRP HA 1 96 GLY H 1.800 . 5.000 3.558 3.549 3.566 . 0 0 "[ . 1 . 2]" 1
730 1 95 TRP QB 1 96 GLY H 1.800 . 3.800 2.938 2.847 3.034 . 0 0 "[ . 1 . 2]" 1
731 1 95 TRP QB 1 96 GLY HA3 1.800 . 5.000 4.780 4.723 4.838 . 0 0 "[ . 1 . 2]" 1
732 1 95 TRP QB 1 96 GLY HA2 1.800 . 5.000 4.442 4.324 4.507 . 0 0 "[ . 1 . 2]" 1
733 1 96 GLY HA3 1 97 LYS H 1.800 . 3.800 2.191 2.132 2.231 . 0 0 "[ . 1 . 2]" 1
734 1 96 GLY HA2 1 97 LYS H 1.800 . 3.800 3.419 3.305 3.460 . 0 0 "[ . 1 . 2]" 1
735 1 96 GLY H 1 97 LYS H 1.800 . 5.000 4.267 4.178 4.439 . 0 0 "[ . 1 . 2]" 1
736 1 98 GLU H 1 98 GLU HG3 1.800 . 3.300 3.143 1.918 3.321 0.021 1 0 "[ . 1 . 2]" 1
737 1 98 GLU H 1 98 GLU HG2 1.800 . 3.300 2.278 1.891 3.376 0.076 15 0 "[ . 1 . 2]" 1
738 1 97 LYS H 1 98 GLU H 1.800 . 2.800 1.999 1.797 2.506 0.003 17 0 "[ . 1 . 2]" 1
739 1 97 LYS HA 1 98 GLU H 1.800 . 5.000 2.787 2.501 3.056 . 0 0 "[ . 1 . 2]" 1
740 1 97 LYS QB 1 98 GLU H 1.800 . 5.500 3.879 3.698 4.055 . 0 0 "[ . 1 . 2]" 1
741 1 97 LYS QG 1 98 GLU H 1.800 . 5.500 4.495 3.934 4.916 . 0 0 "[ . 1 . 2]" 1
742 1 98 GLU QB 1 99 GLY H 1.800 . 5.500 3.388 3.246 3.590 . 0 0 "[ . 1 . 2]" 1
743 1 98 GLU HG3 1 99 GLY H 1.800 . 5.000 2.198 1.971 3.585 . 0 0 "[ . 1 . 2]" 1
744 1 98 GLU HG2 1 99 GLY H 1.800 . 5.000 2.678 2.135 4.251 . 0 0 "[ . 1 . 2]" 1
745 1 98 GLU HA 1 99 GLY H 1.800 . 5.000 3.547 3.474 3.581 . 0 0 "[ . 1 . 2]" 1
746 1 98 GLU H 1 99 GLY H 1.800 . 2.800 2.669 2.292 2.808 0.008 5 0 "[ . 1 . 2]" 1
747 1 97 LYS H 1 99 GLY H 1.800 . 5.000 4.512 4.098 4.908 . 0 0 "[ . 1 . 2]" 1
748 1 98 GLU HA 1 99 GLY HA3 1.800 . 5.500 4.622 4.512 4.799 . 0 0 "[ . 1 . 2]" 1
749 1 98 GLU HA 1 99 GLY HA2 1.800 . 5.500 4.906 4.677 5.297 . 0 0 "[ . 1 . 2]" 1
750 1 99 GLY HA3 1 100 GLN H 1.800 . 5.000 2.542 2.126 3.543 . 0 0 "[ . 1 . 2]" 1
751 1 99 GLY HA2 1 100 GLN H 1.800 . 5.000 3.398 2.876 3.580 . 0 0 "[ . 1 . 2]" 1
752 1 99 GLY HA3 1 100 GLN HA 1.800 . 5.000 4.442 4.351 4.582 . 0 0 "[ . 1 . 2]" 1
753 1 99 GLY HA2 1 100 GLN HA 1.800 . 5.000 4.498 4.365 4.587 . 0 0 "[ . 1 . 2]" 1
754 1 99 GLY HA3 1 100 GLN QB 1.800 . 5.500 4.354 4.009 4.880 . 0 0 "[ . 1 . 2]" 1
755 1 99 GLY HA2 1 100 GLN QB 1.800 . 5.500 5.144 4.747 5.391 . 0 0 "[ . 1 . 2]" 1
756 1 100 GLN HA 1 101 PRO QB 1.800 . 4.300 4.454 4.414 4.495 0.195 20 0 "[ . 1 . 2]" 1
757 1 100 GLN HA 1 101 PRO HD3 1.800 . 3.300 2.110 1.976 2.347 . 0 0 "[ . 1 . 2]" 1
758 1 100 GLN HA 1 101 PRO HD2 1.800 . 3.300 2.262 2.131 2.369 . 0 0 "[ . 1 . 2]" 1
759 1 100 GLN QG 1 101 PRO QB 1.800 . 6.000 5.466 4.238 6.016 0.016 19 0 "[ . 1 . 2]" 1
760 1 100 GLN QG 1 101 PRO HD3 1.800 . 5.500 4.174 3.662 5.083 . 0 0 "[ . 1 . 2]" 1
761 1 100 GLN QG 1 101 PRO HD2 1.800 . 5.500 3.705 2.907 5.128 . 0 0 "[ . 1 . 2]" 1
762 1 101 PRO HA 1 102 GLY H 1.800 . 3.300 2.212 2.140 2.243 . 0 0 "[ . 1 . 2]" 1
763 1 101 PRO HB3 1 102 GLY H 1.800 . 5.000 3.287 3.190 3.602 . 0 0 "[ . 1 . 2]" 1
764 1 101 PRO HB2 1 102 GLY H 1.800 . 5.000 3.838 3.731 4.093 . 0 0 "[ . 1 . 2]" 1
765 1 101 PRO QG 1 102 GLY H 1.800 . 5.500 4.524 4.460 4.630 . 0 0 "[ . 1 . 2]" 1
766 1 103 GLU H 1 103 GLU QB 1.800 . 3.800 2.658 2.313 3.098 . 0 0 "[ . 1 . 2]" 1
767 1 102 GLY HA3 1 103 GLU H 1.800 . 3.300 2.593 2.580 2.604 . 0 0 "[ . 1 . 2]" 1
768 1 102 GLY HA2 1 103 GLU H 1.800 . 3.300 2.530 2.513 2.548 . 0 0 "[ . 1 . 2]" 1
769 1 104 TRP H 1 104 TRP QB 1.800 . 3.800 2.926 2.799 2.976 . 0 0 "[ . 1 . 2]" 1
770 1 103 GLU QB 1 104 TRP H 1.800 . 3.800 2.955 2.562 3.534 . 0 0 "[ . 1 . 2]" 1
771 1 105 MET H 1 105 MET QG 1.800 . 3.800 2.398 1.869 3.500 . 0 0 "[ . 1 . 2]" 1
772 1 105 MET HA 1 105 MET QG 1.800 . 5.500 3.250 2.586 3.455 . 0 0 "[ . 1 . 2]" 1
773 1 104 TRP QB 1 105 MET H 1.800 . 5.500 3.534 3.499 3.568 . 0 0 "[ . 1 . 2]" 1
774 1 106 SER H 1 106 SER HB3 1.800 . 3.300 2.784 2.300 3.204 . 0 0 "[ . 1 . 2]" 1
775 1 105 MET H 1 106 SER H 1.800 . 5.000 4.488 4.461 4.511 . 0 0 "[ . 1 . 2]" 1
776 1 105 MET HB3 1 106 SER H 1.800 . 5.000 3.690 2.510 4.238 . 0 0 "[ . 1 . 2]" 1
777 1 105 MET HB2 1 106 SER H 1.800 . 3.300 2.833 2.447 3.352 0.052 12 0 "[ . 1 . 2]" 1
778 1 105 MET QG 1 106 SER H 1.800 . 5.500 3.898 3.074 4.271 . 0 0 "[ . 1 . 2]" 1
779 1 107 LEU H 1 107 LEU QB 1.800 . 3.300 2.163 2.067 2.272 . 0 0 "[ . 1 . 2]" 1
780 1 107 LEU H 1 107 LEU QD 1.800 . 7.000 3.445 3.140 3.624 . 0 0 "[ . 1 . 2]" 1
781 1 107 LEU HA 1 107 LEU QD 1.800 . 5.300 1.904 1.799 2.006 0.001 19 0 "[ . 1 . 2]" 1
782 1 106 SER H 1 107 LEU H 1.800 . 5.000 4.478 4.401 4.567 . 0 0 "[ . 1 . 2]" 1
783 1 106 SER HB3 1 107 LEU H 1.800 . 5.000 4.120 3.849 4.437 . 0 0 "[ . 1 . 2]" 1
784 1 106 SER HB2 1 107 LEU H 1.800 . 5.000 4.021 3.290 4.528 . 0 0 "[ . 1 . 2]" 1
785 1 105 MET HB3 1 107 LEU QD 1.800 . 6.500 5.944 4.939 6.443 . 0 0 "[ . 1 . 2]" 1
786 1 105 MET HB2 1 107 LEU QD 1.800 . 6.500 5.367 3.746 6.333 . 0 0 "[ . 1 . 2]" 1
787 1 106 SER HA 1 107 LEU QB 1.800 . 5.500 4.027 3.988 4.106 . 0 0 "[ . 1 . 2]" 1
788 1 108 VAL H 1 108 VAL HB 1.800 . 3.300 2.594 2.454 2.744 . 0 0 "[ . 1 . 2]" 1
789 1 108 VAL H 1 108 VAL QG 1.800 . 5.300 2.107 1.906 2.343 . 0 0 "[ . 1 . 2]" 1
790 1 108 VAL HA 1 108 VAL QG 1.800 . 4.800 2.141 2.035 2.288 . 0 0 "[ . 1 . 2]" 1
791 1 107 LEU HA 1 108 VAL H 1.800 . 5.000 3.415 3.405 3.423 . 0 0 "[ . 1 . 2]" 1
792 1 107 LEU H 1 108 VAL H 1.800 . 3.300 2.537 2.426 2.721 . 0 0 "[ . 1 . 2]" 1
793 1 107 LEU QB 1 108 VAL H 1.800 . 5.500 3.077 3.045 3.111 . 0 0 "[ . 1 . 2]" 1
794 1 107 LEU QD 1 108 VAL H 1.800 . 7.000 3.929 3.630 4.328 . 0 0 "[ . 1 . 2]" 1
795 1 107 LEU QD 1 108 VAL QG 1.800 . 6.000 4.285 3.775 4.826 . 0 0 "[ . 1 . 2]" 1
796 1 108 VAL HA 1 109 GLY H 1.800 . 5.000 3.422 3.369 3.456 . 0 0 "[ . 1 . 2]" 1
797 1 108 VAL HB 1 109 GLY H 1.800 . 5.000 3.733 3.091 4.268 . 0 0 "[ . 1 . 2]" 1
798 1 108 VAL QG 1 109 GLY H 1.800 . 4.800 2.978 2.223 3.609 . 0 0 "[ . 1 . 2]" 1
799 1 108 VAL H 1 109 GLY H 1.800 . 2.800 2.829 2.797 2.887 0.087 16 0 "[ . 1 . 2]" 1
800 1 107 LEU H 1 109 GLY H 1.800 . 5.000 4.447 4.354 4.552 . 0 0 "[ . 1 . 2]" 1
801 1 108 VAL H 1 109 GLY HA3 1.800 . 5.500 5.191 5.075 5.300 . 0 0 "[ . 1 . 2]" 1
802 1 108 VAL H 1 109 GLY HA2 1.800 . 5.500 5.406 5.365 5.444 . 0 0 "[ . 1 . 2]" 1
803 1 110 LEU H 1 110 LEU HB3 1.800 . 2.800 2.537 2.104 2.828 0.028 11 0 "[ . 1 . 2]" 1
804 1 110 LEU H 1 110 LEU HB2 1.800 . 3.300 2.503 2.128 3.447 0.147 13 0 "[ . 1 . 2]" 1
805 1 110 LEU H 1 110 LEU HG 1.800 . 5.000 4.491 3.999 4.605 . 0 0 "[ . 1 . 2]" 1
806 1 110 LEU H 1 110 LEU MD1 1.800 . 4.300 3.863 3.390 4.266 . 0 0 "[ . 1 . 2]" 1
807 1 110 LEU H 1 110 LEU MD2 1.800 . 6.000 3.986 1.891 4.172 . 0 0 "[ . 1 . 2]" 1
808 1 110 LEU HA 1 110 LEU HG 1.800 . 3.800 2.956 2.419 3.891 0.091 17 0 "[ . 1 . 2]" 1
809 1 110 LEU HA 1 110 LEU MD1 1.800 . 4.300 3.008 1.852 4.122 . 0 0 "[ . 1 . 2]" 1
810 1 109 GLY HA3 1 110 LEU H 1.800 . 5.000 3.543 3.520 3.565 . 0 0 "[ . 1 . 2]" 1
811 1 109 GLY HA2 1 110 LEU H 1.800 . 5.000 2.656 2.569 2.744 . 0 0 "[ . 1 . 2]" 1
812 1 109 GLY H 1 110 LEU H 1.800 . 2.800 2.864 2.842 2.899 0.099 20 0 "[ . 1 . 2]" 1
813 1 108 VAL H 1 110 LEU H 1.800 . 5.000 4.978 4.767 5.033 0.033 15 0 "[ . 1 . 2]" 1
814 1 108 VAL HA 1 110 LEU H 1.800 . 5.000 4.351 4.034 4.718 . 0 0 "[ . 1 . 2]" 1
815 1 111 ASN H 1 111 ASN HB3 1.800 . 3.300 3.318 3.290 3.348 0.048 15 0 "[ . 1 . 2]" 1
816 1 111 ASN H 1 111 ASN HB2 1.800 . 3.300 2.440 2.355 2.524 . 0 0 "[ . 1 . 2]" 1
817 1 110 LEU H 1 111 ASN H 1.800 . 5.000 4.623 4.542 4.659 . 0 0 "[ . 1 . 2]" 1
818 1 110 LEU HA 1 111 ASN H 1.800 . 2.800 2.250 2.168 2.309 . 0 0 "[ . 1 . 2]" 1
819 1 110 LEU HB3 1 111 ASN H 1.800 . 5.000 3.941 3.663 4.418 . 0 0 "[ . 1 . 2]" 1
820 1 110 LEU HB2 1 111 ASN H 1.800 . 5.000 4.044 3.239 4.462 . 0 0 "[ . 1 . 2]" 1
821 1 110 LEU HG 1 111 ASN H 1.800 . 5.000 2.892 2.048 4.556 . 0 0 "[ . 1 . 2]" 1
822 1 110 LEU MD1 1 111 ASN H 1.800 . 6.000 3.421 2.171 4.842 . 0 0 "[ . 1 . 2]" 1
823 1 110 LEU MD2 1 111 ASN H 1.800 . 6.000 3.119 1.923 4.756 . 0 0 "[ . 1 . 2]" 1
824 1 112 ALA H 1 112 ALA MB 1.800 . 3.800 2.225 2.156 2.262 . 0 0 "[ . 1 . 2]" 1
825 1 111 ASN HA 1 112 ALA H 1.800 . 3.300 2.133 2.097 2.180 . 0 0 "[ . 1 . 2]" 1
826 1 111 ASN HB3 1 112 ALA H 1.800 . 5.000 3.882 3.673 4.046 . 0 0 "[ . 1 . 2]" 1
827 1 111 ASN HB2 1 112 ALA H 1.800 . 5.000 4.586 4.475 4.647 . 0 0 "[ . 1 . 2]" 1
828 1 113 ASP H 1 113 ASP HB3 1.800 . 3.300 3.319 3.203 3.339 0.039 16 0 "[ . 1 . 2]" 1
829 1 113 ASP H 1 113 ASP HB2 1.800 . 3.300 3.280 2.112 3.361 0.061 10 0 "[ . 1 . 2]" 1
830 1 112 ALA HA 1 113 ASP H 1.800 . 5.000 3.413 3.398 3.472 . 0 0 "[ . 1 . 2]" 1
831 1 112 ALA MB 1 113 ASP H 1.800 . 4.300 3.045 2.827 3.083 . 0 0 "[ . 1 . 2]" 1
832 1 112 ALA H 1 113 ASP H 1.800 . 2.800 2.497 2.435 2.537 . 0 0 "[ . 1 . 2]" 1
833 1 111 ASN HA 1 113 ASP H 1.800 . 5.000 3.356 3.216 3.479 . 0 0 "[ . 1 . 2]" 1
834 1 111 ASN HB3 1 113 ASP H 1.800 . 5.000 3.169 2.813 3.524 . 0 0 "[ . 1 . 2]" 1
835 1 111 ASN HB2 1 113 ASP H 1.800 . 5.000 4.654 4.389 4.904 . 0 0 "[ . 1 . 2]" 1
836 1 114 ASP H 1 114 ASP HB3 1.800 . 3.300 3.286 3.219 3.325 0.025 14 0 "[ . 1 . 2]" 1
837 1 114 ASP H 1 114 ASP HB2 1.800 . 3.300 2.133 2.083 2.233 . 0 0 "[ . 1 . 2]" 1
838 1 114 ASP HA 1 114 ASP HB3 1.800 . 2.800 2.818 2.791 2.855 0.055 9 0 "[ . 1 . 2]" 1
839 1 114 ASP HA 1 114 ASP HB2 1.800 . 2.800 2.859 2.823 2.883 0.083 14 0 "[ . 1 . 2]" 1
840 1 113 ASP HA 1 114 ASP H 1.800 . 5.000 3.524 3.484 3.564 . 0 0 "[ . 1 . 2]" 1
841 1 113 ASP HB3 1 114 ASP H 1.800 . 5.000 4.107 2.970 4.289 . 0 0 "[ . 1 . 2]" 1
842 1 113 ASP HB2 1 114 ASP H 1.800 . 5.000 3.099 2.861 3.299 . 0 0 "[ . 1 . 2]" 1
843 1 113 ASP H 1 114 ASP H 1.800 . 2.800 2.485 2.387 2.665 . 0 0 "[ . 1 . 2]" 1
844 1 112 ALA H 1 114 ASP H 1.800 . 5.000 4.350 4.146 4.566 . 0 0 "[ . 1 . 2]" 1
845 1 114 ASP H 1 115 PHE QE 1.800 . 7.100 6.249 6.051 6.729 . 0 0 "[ . 1 . 2]" 1
846 1 115 PHE H 1 115 PHE QB 1.800 . 3.300 2.421 2.248 2.631 . 0 0 "[ . 1 . 2]" 1
847 1 114 ASP HA 1 115 PHE H 1.800 . 5.000 3.383 3.219 3.512 . 0 0 "[ . 1 . 2]" 1
848 1 115 PHE H 1 115 PHE QD 1.800 . 5.400 2.444 2.244 2.678 . 0 0 "[ . 1 . 2]" 1
849 1 115 PHE H 1 115 PHE QE 1.800 . 7.100 4.726 4.532 4.989 . 0 0 "[ . 1 . 2]" 1
850 1 115 PHE HA 1 115 PHE QD 1.800 . 5.400 3.599 3.579 3.628 . 0 0 "[ . 1 . 2]" 1
851 1 114 ASP HB3 1 115 PHE H 1.800 . 5.000 3.603 3.105 3.957 . 0 0 "[ . 1 . 2]" 1
852 1 114 ASP HB2 1 115 PHE H 1.800 . 5.000 3.624 3.361 3.959 . 0 0 "[ . 1 . 2]" 1
853 1 114 ASP H 1 115 PHE H 1.800 . 2.800 2.472 2.299 2.627 . 0 0 "[ . 1 . 2]" 1
854 1 114 ASP HA 1 115 PHE HA 1.800 . 5.000 4.549 4.468 4.653 . 0 0 "[ . 1 . 2]" 1
855 1 114 ASP HB3 1 115 PHE QB 1.800 . 5.500 4.112 4.008 4.226 . 0 0 "[ . 1 . 2]" 1
856 1 114 ASP HB2 1 115 PHE QB 1.800 . 5.500 4.609 4.519 4.706 . 0 0 "[ . 1 . 2]" 1
857 1 114 ASP H 1 115 PHE QD 1.800 . 5.400 4.390 4.230 4.711 . 0 0 "[ . 1 . 2]" 1
858 1 113 ASP H 1 115 PHE H 1.800 . 5.000 3.725 3.632 3.899 . 0 0 "[ . 1 . 2]" 1
859 1 117 PRO HA 1 117 PRO HD3 1.800 . 5.500 3.560 3.497 3.602 . 0 0 "[ . 1 . 2]" 1
860 1 117 PRO HA 1 117 PRO HD2 1.800 . 5.500 4.095 4.088 4.099 . 0 0 "[ . 1 . 2]" 1
861 1 118 ALA H 1 118 ALA MB 1.800 . 6.000 2.128 2.087 2.221 . 0 0 "[ . 1 . 2]" 1
862 1 117 PRO HA 1 118 ALA H 1.800 . 5.000 3.445 3.435 3.474 . 0 0 "[ . 1 . 2]" 1
863 1 117 PRO QB 1 118 ALA H 1.800 . 5.500 3.470 3.407 3.502 . 0 0 "[ . 1 . 2]" 1
864 1 117 PRO QG 1 118 ALA H 1.800 . 5.500 2.797 2.663 2.865 . 0 0 "[ . 1 . 2]" 1
865 1 118 ALA HA 1 119 ASN H 1.800 . 5.000 3.441 3.398 3.506 . 0 0 "[ . 1 . 2]" 1
866 1 118 ALA MB 1 119 ASN H 1.800 . 6.000 2.940 2.623 3.076 . 0 0 "[ . 1 . 2]" 1
867 1 118 ALA HA 1 119 ASN QB 1.800 . 5.000 5.087 5.039 5.125 0.125 4 0 "[ . 1 . 2]" 1
868 1 120 GLU H 1 120 GLU HB3 1.800 . 3.300 2.775 2.051 3.298 . 0 0 "[ . 1 . 2]" 1
869 1 120 GLU H 1 120 GLU HB2 1.800 . 3.300 2.531 2.055 3.430 0.130 2 0 "[ . 1 . 2]" 1
870 1 119 ASN HA 1 120 GLU H 1.800 . 5.000 3.235 3.148 3.352 . 0 0 "[ . 1 . 2]" 1
871 1 119 ASN HB3 1 120 GLU H 1.800 . 5.000 3.878 3.652 4.016 . 0 0 "[ . 1 . 2]" 1
872 1 119 ASN HB2 1 120 GLU H 1.800 . 5.000 3.898 3.710 4.028 . 0 0 "[ . 1 . 2]" 1
873 1 119 ASN H 1 120 GLU H 1.800 . 3.300 2.214 2.128 2.383 . 0 0 "[ . 1 . 2]" 1
874 1 119 ASN QB 1 120 GLU HA 1.800 . 5.500 4.105 4.009 4.200 . 0 0 "[ . 1 . 2]" 1
875 1 121 PRO HA 1 121 PRO QD 1.800 . 5.500 3.257 3.243 3.273 . 0 0 "[ . 1 . 2]" 1
876 1 121 PRO HB2 1 121 PRO HD3 1.800 . 4.300 3.843 3.823 3.866 . 0 0 "[ . 1 . 2]" 1
877 1 122 VAL H 1 122 VAL HB 1.800 . 3.300 3.133 2.701 3.311 0.011 4 0 "[ . 1 . 2]" 1
878 1 122 VAL H 1 122 VAL MG1 1.800 . 6.000 3.587 3.415 3.789 . 0 0 "[ . 1 . 2]" 1
879 1 122 VAL H 1 122 VAL MG2 1.800 . 4.300 1.831 1.764 1.990 0.036 9 0 "[ . 1 . 2]" 1
880 1 122 VAL HA 1 122 VAL MG1 1.800 . 4.300 2.031 1.927 2.209 . 0 0 "[ . 1 . 2]" 1
881 1 122 VAL HA 1 122 VAL MG2 1.800 . 4.300 2.856 2.563 3.021 . 0 0 "[ . 1 . 2]" 1
882 1 121 PRO HA 1 122 VAL H 1.800 . 5.000 3.587 3.570 3.601 . 0 0 "[ . 1 . 2]" 1
883 1 121 PRO QB 1 122 VAL H 1.800 . 5.500 2.267 2.149 2.592 . 0 0 "[ . 1 . 2]" 1
884 1 121 PRO QG 1 122 VAL H 1.800 . 5.500 3.830 3.757 3.956 . 0 0 "[ . 1 . 2]" 1
885 1 121 PRO QD 1 122 VAL H 1.800 . 3.800 3.146 3.095 3.192 . 0 0 "[ . 1 . 2]" 1
886 1 121 PRO HB2 1 122 VAL HB 1.800 . 5.000 5.082 4.993 5.125 0.125 9 0 "[ . 1 . 2]" 1
887 1 119 ASN HB3 1 122 VAL MG2 1.800 . 6.000 3.879 3.733 4.153 . 0 0 "[ . 1 . 2]" 1
888 1 119 ASN HB2 1 122 VAL MG2 1.800 . 6.000 4.997 4.787 5.201 . 0 0 "[ . 1 . 2]" 1
889 1 123 ILE H 1 123 ILE HB 1.800 . 2.800 2.405 2.330 2.440 . 0 0 "[ . 1 . 2]" 1
890 1 123 ILE H 1 123 ILE MD 1.800 . 4.300 3.892 3.720 4.036 . 0 0 "[ . 1 . 2]" 1
891 1 123 ILE H 1 123 ILE MG 1.800 . 6.000 3.725 3.694 3.742 . 0 0 "[ . 1 . 2]" 1
892 1 123 ILE HA 1 123 ILE MD 1.800 . 3.800 2.611 2.336 2.853 . 0 0 "[ . 1 . 2]" 1
893 1 123 ILE HA 1 123 ILE MG 1.800 . 6.000 2.472 2.422 2.514 . 0 0 "[ . 1 . 2]" 1
894 1 122 VAL HB 1 123 ILE H 1.800 . 3.300 2.474 2.295 2.642 . 0 0 "[ . 1 . 2]" 1
895 1 122 VAL MG1 1 123 ILE H 1.800 . 4.300 3.896 3.468 4.022 . 0 0 "[ . 1 . 2]" 1
896 1 120 GLU HA 1 123 ILE MG 1.800 . 6.000 3.775 3.551 4.307 . 0 0 "[ . 1 . 2]" 1
897 1 120 GLU HA 1 123 ILE MD 1.800 . 6.000 5.161 4.839 5.687 . 0 0 "[ . 1 . 2]" 1
898 1 124 ALA H 1 124 ALA MB 1.800 . 3.800 2.255 2.220 2.280 . 0 0 "[ . 1 . 2]" 1
899 1 123 ILE HB 1 124 ALA H 1.800 . 5.000 2.963 2.940 3.006 . 0 0 "[ . 1 . 2]" 1
900 1 123 ILE MD 1 124 ALA HA 1.800 . 4.300 3.406 3.334 3.507 . 0 0 "[ . 1 . 2]" 1
901 1 123 ILE H 1 124 ALA MB 1.800 . 6.000 4.327 4.150 4.419 . 0 0 "[ . 1 . 2]" 1
902 1 123 ILE MD 1 124 ALA MB 1.800 . 6.000 4.183 4.115 4.249 . 0 0 "[ . 1 . 2]" 1
903 1 125 LYS H 1 125 LYS QB 1.800 . 3.800 2.192 2.062 2.446 . 0 0 "[ . 1 . 2]" 1
904 1 125 LYS H 1 125 LYS QG 1.800 . 5.500 3.502 2.219 4.038 . 0 0 "[ . 1 . 2]" 1
905 1 125 LYS HA 1 125 LYS QG 1.800 . 3.800 2.315 2.029 2.821 . 0 0 "[ . 1 . 2]" 1
906 1 125 LYS QB 1 125 LYS QE 1.800 . 5.500 2.952 1.970 3.669 . 0 0 "[ . 1 . 2]" 1
907 1 124 ALA HA 1 125 LYS H 1.800 . 5.000 3.523 3.507 3.534 . 0 0 "[ . 1 . 2]" 1
908 1 124 ALA MB 1 125 LYS H 1.800 . 6.000 2.356 2.315 2.420 . 0 0 "[ . 1 . 2]" 1
909 1 126 LEU H 1 126 LEU QB 1.800 . 3.300 2.175 2.077 2.263 . 0 0 "[ . 1 . 2]" 1
910 1 126 LEU H 1 126 LEU HG 1.800 . 5.500 4.378 3.886 4.574 . 0 0 "[ . 1 . 2]" 1
911 1 126 LEU H 1 126 LEU MD1 1.800 . 4.300 3.897 2.690 4.239 . 0 0 "[ . 1 . 2]" 1
912 1 126 LEU H 1 126 LEU MD2 1.800 . 6.000 3.772 2.228 4.390 . 0 0 "[ . 1 . 2]" 1
913 1 126 LEU HA 1 126 LEU MD1 1.800 . 6.000 2.412 1.984 2.984 . 0 0 "[ . 1 . 2]" 1
914 1 126 LEU HA 1 126 LEU MD2 1.800 . 3.800 3.252 1.979 3.810 0.010 17 0 "[ . 1 . 2]" 1
915 1 127 LYS H 1 127 LYS QB 1.800 . 3.300 2.242 2.224 2.261 . 0 0 "[ . 1 . 2]" 1
916 1 127 LYS H 1 127 LYS HG3 1.800 . 5.000 4.589 4.548 4.628 . 0 0 "[ . 1 . 2]" 1
917 1 127 LYS H 1 127 LYS HG2 1.800 . 5.000 4.410 4.399 4.423 . 0 0 "[ . 1 . 2]" 1
918 1 127 LYS HA 1 127 LYS HG3 1.800 . 3.300 3.229 3.085 3.331 0.031 19 0 "[ . 1 . 2]" 1
919 1 127 LYS HA 1 127 LYS HG2 1.800 . 3.300 2.723 2.632 2.818 . 0 0 "[ . 1 . 2]" 1
920 1 127 LYS HA 1 127 LYS QD 1.800 . 5.300 4.119 3.973 4.246 . 0 0 "[ . 1 . 2]" 1
921 1 127 LYS HB3 1 127 LYS QD 1.800 . 5.300 2.087 1.966 2.177 . 0 0 "[ . 1 . 2]" 1
922 1 127 LYS HB2 1 127 LYS QD 1.800 . 5.300 2.924 2.798 3.042 . 0 0 "[ . 1 . 2]" 1
923 1 124 ALA MB 1 127 LYS QG 1.800 . 6.500 5.344 5.024 5.386 . 0 0 "[ . 1 . 2]" 1
924 1 124 ALA MB 1 127 LYS QD 1.800 . 6.500 3.810 3.438 3.938 . 0 0 "[ . 1 . 2]" 1
925 1 124 ALA HA 1 127 LYS QG 1.800 . 4.300 4.291 3.958 4.337 0.037 16 0 "[ . 1 . 2]" 1
926 1 123 ILE MD 1 127 LYS HA 1.800 . 5.000 5.061 5.030 5.088 0.088 9 0 "[ . 1 . 2]" 1
927 1 128 ARG H 1 128 ARG HB3 1.800 . 3.300 2.404 2.273 2.586 . 0 0 "[ . 1 . 2]" 1
928 1 128 ARG H 1 128 ARG HB2 1.800 . 3.300 2.641 2.457 2.781 . 0 0 "[ . 1 . 2]" 1
929 1 128 ARG H 1 128 ARG HG3 1.800 . 5.000 4.530 4.442 4.592 . 0 0 "[ . 1 . 2]" 1
930 1 128 ARG H 1 128 ARG HG2 1.800 . 5.000 4.363 4.258 4.463 . 0 0 "[ . 1 . 2]" 1
931 1 128 ARG HA 1 128 ARG HG3 1.800 . 3.300 2.832 2.539 3.321 0.021 14 0 "[ . 1 . 2]" 1
932 1 128 ARG HA 1 128 ARG HG2 1.800 . 3.300 3.062 2.530 3.320 0.020 18 0 "[ . 1 . 2]" 1
933 1 127 LYS HA 1 128 ARG H 1.800 . 5.000 3.519 3.511 3.533 . 0 0 "[ . 1 . 2]" 1
934 1 127 LYS HG3 1 128 ARG H 1.800 . 5.000 4.885 4.768 4.953 . 0 0 "[ . 1 . 2]" 1
935 1 127 LYS HG2 1 128 ARG H 1.800 . 5.000 3.820 3.683 3.928 . 0 0 "[ . 1 . 2]" 1
936 1 127 LYS QG 1 128 ARG HB3 1.800 . 5.500 5.550 5.531 5.567 0.067 9 0 "[ . 1 . 2]" 1
937 1 127 LYS QB 1 128 ARG HB3 1.800 . 5.500 4.752 4.584 4.996 . 0 0 "[ . 1 . 2]" 1
938 1 127 LYS QB 1 128 ARG HB2 1.800 . 5.500 4.359 4.215 4.521 . 0 0 "[ . 1 . 2]" 1
939 1 129 LEU H 1 129 LEU QB 1.800 . 3.300 3.206 2.178 3.339 0.039 16 0 "[ . 1 . 2]" 1
940 1 129 LEU H 1 129 LEU HG 1.800 . 5.500 2.792 2.275 4.333 . 0 0 "[ . 1 . 2]" 1
941 1 129 LEU H 1 129 LEU MD1 1.800 . 6.000 3.155 2.041 4.075 . 0 0 "[ . 1 . 2]" 1
942 1 129 LEU H 1 129 LEU MD2 1.800 . 6.000 3.840 2.390 4.290 . 0 0 "[ . 1 . 2]" 1
943 1 129 LEU HA 1 129 LEU HG 1.800 . 3.300 2.764 2.620 3.380 0.080 1 0 "[ . 1 . 2]" 1
944 1 129 LEU HA 1 129 LEU MD1 1.800 . 6.000 3.535 2.052 4.018 . 0 0 "[ . 1 . 2]" 1
945 1 126 LEU MD2 1 129 LEU H 1.800 . 6.000 5.348 4.916 5.733 . 0 0 "[ . 1 . 2]" 1
946 1 126 LEU MD2 1 129 LEU QD 1.800 . 8.000 4.642 2.900 6.054 . 0 0 "[ . 1 . 2]" 1
947 1 127 LYS HB3 1 129 LEU H 1.800 . 5.000 4.597 4.563 4.632 . 0 0 "[ . 1 . 2]" 1
948 1 127 LYS HB2 1 129 LEU H 1.800 . 5.000 5.169 5.160 5.190 0.190 1 0 "[ . 1 . 2]" 1
949 1 127 LYS QG 1 129 LEU H 1.800 . 5.500 4.440 4.376 4.488 . 0 0 "[ . 1 . 2]" 1
950 1 128 ARG QG 1 129 LEU H 1.800 . 5.500 4.059 3.848 4.309 . 0 0 "[ . 1 . 2]" 1
951 1 128 ARG HB3 1 129 LEU H 1.800 . 5.000 3.347 3.284 3.407 . 0 0 "[ . 1 . 2]" 1
952 1 128 ARG HB2 1 129 LEU H 1.800 . 5.000 4.296 4.190 4.366 . 0 0 "[ . 1 . 2]" 1
953 1 2 LYS QB 1 78 ARG HA 1.800 . 5.500 2.309 1.959 3.348 . 0 0 "[ . 1 . 2]" 1
954 1 2 LYS QB 1 78 ARG QB 1.800 . 6.000 3.704 3.098 4.270 . 0 0 "[ . 1 . 2]" 1
955 1 2 LYS QB 1 78 ARG QG 1.800 . 6.000 2.631 1.962 3.186 . 0 0 "[ . 1 . 2]" 1
956 1 3 LYS H 1 78 ARG QG 1.800 . 5.500 5.048 4.185 5.550 0.050 10 0 "[ . 1 . 2]" 1
957 1 3 LYS HA 1 78 ARG HA 1.800 . 5.000 4.130 3.600 4.595 . 0 0 "[ . 1 . 2]" 1
958 1 3 LYS HA 1 79 HIS H 1.800 . 3.800 2.582 2.228 2.879 . 0 0 "[ . 1 . 2]" 1
959 1 3 LYS HA 1 79 HIS QB 1.800 . 5.500 2.356 1.785 3.019 0.015 16 0 "[ . 1 . 2]" 1
960 1 3 LYS HB3 1 79 HIS H 1.800 . 5.000 4.437 3.548 5.005 0.005 12 0 "[ . 1 . 2]" 1
961 1 3 LYS HB2 1 79 HIS H 1.800 . 5.000 4.780 3.824 5.023 0.023 11 0 "[ . 1 . 2]" 1
962 1 3 LYS HA 1 80 ILE HA 1.800 . 5.000 4.415 4.195 4.662 . 0 0 "[ . 1 . 2]" 1
963 1 4 LEU H 1 79 HIS HA 1.800 . 5.000 4.950 4.691 5.074 0.074 9 0 "[ . 1 . 2]" 1
964 1 4 LEU H 1 79 HIS QB 1.800 . 5.500 3.534 2.875 4.213 . 0 0 "[ . 1 . 2]" 1
965 1 4 LEU QB 1 79 HIS H 1.800 . 5.500 5.521 5.472 5.555 0.055 10 0 "[ . 1 . 2]" 1
966 1 4 LEU QD 1 79 HIS H 1.800 . 6.500 4.241 3.833 4.566 . 0 0 "[ . 1 . 2]" 1
967 1 4 LEU HG 1 79 HIS H 1.800 . 5.000 4.739 4.288 5.024 0.024 14 0 "[ . 1 . 2]" 1
968 1 4 LEU H 1 80 ILE HA 1.800 . 5.000 2.788 2.590 2.963 . 0 0 "[ . 1 . 2]" 1
969 1 4 LEU QD 1 80 ILE MD 1.800 . 7.500 2.026 1.795 2.529 0.005 9 0 "[ . 1 . 2]" 1
970 1 4 LEU QD 1 80 ILE QG 1.800 . 6.500 2.099 1.893 2.686 . 0 0 "[ . 1 . 2]" 1
971 1 4 LEU H 1 81 THR H 1.800 . 5.000 4.061 3.614 4.344 . 0 0 "[ . 1 . 2]" 1
972 1 4 LEU MD1 1 81 THR H 1.800 . 6.000 3.121 2.713 3.787 . 0 0 "[ . 1 . 2]" 1
973 1 4 LEU HG 1 81 THR H 1.800 . 5.000 3.874 3.523 4.278 . 0 0 "[ . 1 . 2]" 1
974 1 5 GLN HB3 1 40 ILE MD 1.800 . 5.500 3.787 2.914 4.731 . 0 0 "[ . 1 . 2]" 1
975 1 5 GLN HB3 1 40 ILE MG 1.800 . 5.500 5.442 4.384 5.588 0.088 19 0 "[ . 1 . 2]" 1
976 1 5 GLN HB2 1 40 ILE MD 1.800 . 5.500 4.070 3.263 4.677 . 0 0 "[ . 1 . 2]" 1
977 1 5 GLN HB2 1 40 ILE MG 1.800 . 5.500 5.344 3.848 5.549 0.049 20 0 "[ . 1 . 2]" 1
978 1 5 GLN HB3 1 41 GLU HB3 1.800 . 5.000 3.633 3.599 3.699 . 0 0 "[ . 1 . 2]" 1
979 1 5 GLN HB3 1 41 GLU HB2 1.800 . 5.000 5.057 5.034 5.076 0.076 17 0 "[ . 1 . 2]" 1
980 1 5 GLN HB2 1 41 GLU HB3 1.800 . 5.000 2.074 2.015 2.140 . 0 0 "[ . 1 . 2]" 1
981 1 5 GLN HB2 1 41 GLU HB2 1.800 . 5.000 3.333 3.294 3.411 . 0 0 "[ . 1 . 2]" 1
982 1 5 GLN HA 1 81 THR H 1.800 . 5.000 2.437 2.229 2.666 . 0 0 "[ . 1 . 2]" 1
983 1 5 GLN QB 1 81 THR H 1.800 . 5.000 4.352 3.964 4.592 . 0 0 "[ . 1 . 2]" 1
984 1 5 GLN HA 1 80 ILE QG 1.800 . 5.000 3.961 3.632 4.182 . 0 0 "[ . 1 . 2]" 1
985 1 5 GLN QB 1 83 TRP HD1 1.800 . 5.000 4.818 4.491 5.071 0.071 16 0 "[ . 1 . 2]" 1
986 1 6 ILE HB 1 80 ILE MG 1.800 . 6.500 6.466 6.006 6.550 0.050 11 0 "[ . 1 . 2]" 1
987 1 6 ILE H 1 81 THR H 1.800 . 5.000 3.738 3.556 3.948 . 0 0 "[ . 1 . 2]" 1
988 1 6 ILE H 1 81 THR HB 1.800 . 5.000 3.524 3.240 4.136 . 0 0 "[ . 1 . 2]" 1
989 1 6 ILE H 1 82 LEU HA 1.800 . 5.000 2.974 2.709 3.212 . 0 0 "[ . 1 . 2]" 1
990 1 6 ILE MD 1 82 LEU MD1 1.800 . 6.000 3.550 2.115 5.830 . 0 0 "[ . 1 . 2]" 1
991 1 6 ILE H 1 83 TRP HD1 1.800 . 5.000 4.334 4.065 4.731 . 0 0 "[ . 1 . 2]" 1
992 1 6 ILE HB 1 83 TRP H 1.800 . 5.000 4.236 3.987 4.678 . 0 0 "[ . 1 . 2]" 1
993 1 6 ILE QG 1 83 TRP H 1.800 . 6.000 5.869 5.661 6.014 0.014 18 0 "[ . 1 . 2]" 1
994 1 6 ILE H 1 40 ILE MG 1.800 . 6.000 4.920 3.781 5.161 . 0 0 "[ . 1 . 2]" 1
995 1 6 ILE H 1 40 ILE MD 1.800 . 6.000 4.426 3.632 5.170 . 0 0 "[ . 1 . 2]" 1
996 1 6 ILE HA 1 40 ILE H 1.800 . 5.000 3.632 3.387 4.175 . 0 0 "[ . 1 . 2]" 1
997 1 6 ILE HA 1 40 ILE MG 1.800 . 4.300 3.061 2.229 3.411 . 0 0 "[ . 1 . 2]" 1
998 1 6 ILE MG 1 38 GLY H 1.800 . 6.000 5.001 4.799 5.394 . 0 0 "[ . 1 . 2]" 1
999 1 7 ALA H 1 38 GLY H 1.800 . 5.000 5.149 5.119 5.181 0.181 13 0 "[ . 1 . 2]" 1
1000 1 7 ALA MB 1 38 GLY H 1.800 . 6.000 5.401 5.220 5.624 . 0 0 "[ . 1 . 2]" 1
1001 1 7 ALA H 1 40 ILE H 1.800 . 5.000 3.482 3.176 3.776 . 0 0 "[ . 1 . 2]" 1
1002 1 7 ALA HA 1 40 ILE MD 1.800 . 6.000 3.617 3.337 3.940 . 0 0 "[ . 1 . 2]" 1
1003 1 7 ALA H 1 40 ILE MG 1.800 . 3.800 1.775 1.754 1.796 0.046 3 0 "[ . 1 . 2]" 1
1004 1 7 ALA H 1 40 ILE MD 1.800 . 6.000 3.740 3.415 3.978 . 0 0 "[ . 1 . 2]" 1
1005 1 7 ALA MB 1 40 ILE MG 1.800 . 4.800 1.742 1.724 1.799 0.076 7 0 "[ . 1 . 2]" 1
1006 1 7 ALA MB 1 40 ILE MD 1.800 . 7.000 1.784 1.735 1.838 0.065 13 0 "[ . 1 . 2]" 1
1007 1 7 ALA MB 1 40 ILE HB 1.800 . 6.000 2.784 2.391 2.888 . 0 0 "[ . 1 . 2]" 1
1008 1 7 ALA MB 1 40 ILE HA 1.800 . 4.300 4.463 4.388 4.500 0.200 5 0 "[ . 1 . 2]" 1
1009 1 7 ALA H 1 50 VAL MG1 1.800 . 6.000 5.971 5.192 6.065 0.065 10 0 "[ . 1 . 2]" 1
1010 1 7 ALA HA 1 82 LEU QD 1.800 . 7.000 3.830 2.960 4.756 . 0 0 "[ . 1 . 2]" 1
1011 1 7 ALA HA 1 83 TRP H 1.800 . 5.000 2.240 2.125 2.425 . 0 0 "[ . 1 . 2]" 1
1012 1 7 ALA MB 1 83 TRP H 1.800 . 6.000 3.490 3.126 3.758 . 0 0 "[ . 1 . 2]" 1
1013 1 7 ALA HA 1 83 TRP HB3 1.800 . 5.000 4.088 3.869 4.450 . 0 0 "[ . 1 . 2]" 1
1014 1 7 ALA HA 1 83 TRP HB2 1.800 . 5.000 2.604 2.456 2.923 . 0 0 "[ . 1 . 2]" 1
1015 1 7 ALA MB 1 83 TRP HB3 1.800 . 6.000 3.609 3.213 3.906 . 0 0 "[ . 1 . 2]" 1
1016 1 7 ALA MB 1 83 TRP HB2 1.800 . 6.000 2.284 1.915 2.581 . 0 0 "[ . 1 . 2]" 1
1017 1 8 VAL H 1 50 VAL MG1 1.800 . 6.000 5.832 5.544 6.042 0.042 13 0 "[ . 1 . 2]" 1
1018 1 8 VAL MG1 1 82 LEU MD1 1.800 . 4.300 3.689 1.789 4.326 0.026 16 0 "[ . 1 . 2]" 1
1019 1 8 VAL MG1 1 83 TRP H 1.800 . 6.000 3.917 3.674 4.457 . 0 0 "[ . 1 . 2]" 1
1020 1 8 VAL H 1 83 TRP HB3 1.800 . 5.500 4.805 4.493 5.224 . 0 0 "[ . 1 . 2]" 1
1021 1 8 VAL H 1 83 TRP HB2 1.800 . 5.500 3.929 3.569 4.386 . 0 0 "[ . 1 . 2]" 1
1022 1 8 VAL H 1 84 PHE QB 1.800 . 6.000 4.709 4.346 5.022 . 0 0 "[ . 1 . 2]" 1
1023 1 8 VAL MG1 1 84 PHE QD 1.800 . 7.100 2.954 2.186 3.682 . 0 0 "[ . 1 . 2]" 1
1024 1 8 VAL MG1 1 84 PHE QE 1.800 . 7.100 2.541 1.946 3.371 . 0 0 "[ . 1 . 2]" 1
1025 1 8 VAL MG1 1 37 GLY HA3 1.800 . 4.300 3.658 3.189 4.161 . 0 0 "[ . 1 . 2]" 1
1026 1 8 VAL MG1 1 37 GLY HA2 1.800 . 6.000 4.929 4.364 5.462 . 0 0 "[ . 1 . 2]" 1
1027 1 8 VAL MG2 1 37 GLY HA3 1.800 . 6.000 4.342 3.977 4.497 . 0 0 "[ . 1 . 2]" 1
1028 1 8 VAL MG2 1 37 GLY HA2 1.800 . 6.000 5.766 5.406 5.931 . 0 0 "[ . 1 . 2]" 1
1029 1 8 VAL H 1 85 TRP H 1.800 . 5.000 3.825 3.498 4.159 . 0 0 "[ . 1 . 2]" 1
1030 1 8 VAL H 1 85 TRP HD1 1.800 . 5.000 3.266 2.800 3.592 . 0 0 "[ . 1 . 2]" 1
1031 1 8 VAL MG1 1 85 TRP H 1.800 . 6.000 4.928 4.184 5.473 . 0 0 "[ . 1 . 2]" 1
1032 1 10 ILE MD 1 18 ILE MD 1.800 . 5.300 3.818 2.766 4.493 . 0 0 "[ . 1 . 2]" 1
1033 1 10 ILE HB 1 18 ILE MD 1.800 . 4.300 2.819 1.932 4.102 . 0 0 "[ . 1 . 2]" 1
1034 1 10 ILE MD 1 20 ILE MG 1.800 . 5.300 4.592 3.111 5.387 0.087 4 0 "[ . 1 . 2]" 1
1035 1 10 ILE MG 1 20 ILE MG 1.800 . 5.300 2.915 1.823 5.061 . 0 0 "[ . 1 . 2]" 1
1036 1 10 ILE H 1 85 TRP H 1.800 . 5.000 4.286 3.988 4.747 . 0 0 "[ . 1 . 2]" 1
1037 1 10 ILE H 1 86 LEU HA 1.800 . 5.000 3.694 3.471 4.389 . 0 0 "[ . 1 . 2]" 1
1038 1 10 ILE H 1 86 LEU QB 1.800 . 5.500 5.507 5.383 5.636 0.136 20 0 "[ . 1 . 2]" 1
1039 1 10 ILE H 1 87 VAL H 1.800 . 5.000 3.299 3.114 4.402 . 0 0 "[ . 1 . 2]" 1
1040 1 10 ILE H 1 87 VAL MG2 1.800 . 6.000 2.810 2.553 3.856 . 0 0 "[ . 1 . 2]" 1
1041 1 10 ILE HA 1 20 ILE HA 1.800 . 5.000 5.054 4.829 5.117 0.117 18 0 "[ . 1 . 2]" 1
1042 1 10 ILE HB 1 87 VAL H 1.800 . 5.000 3.427 2.658 4.306 . 0 0 "[ . 1 . 2]" 1
1043 1 10 ILE MD 1 87 VAL H 1.800 . 6.000 3.502 2.027 5.030 . 0 0 "[ . 1 . 2]" 1
1044 1 11 ILE MG 1 20 ILE MG 1.800 . 7.000 6.318 4.499 7.029 0.029 20 0 "[ . 1 . 2]" 1
1045 1 11 ILE MG 1 19 PHE H 1.800 . 6.000 4.319 2.308 4.980 . 0 0 "[ . 1 . 2]" 1
1046 1 11 ILE MD 1 63 GLN QB 1.800 . 6.000 5.915 5.644 6.143 0.143 19 0 "[ . 1 . 2]" 1
1047 1 11 ILE MD 1 87 VAL QG 1.800 . 6.000 2.150 1.791 3.070 0.009 20 0 "[ . 1 . 2]" 1
1048 1 11 ILE MD 1 19 PHE H 1.800 . 6.000 4.706 3.519 5.707 . 0 0 "[ . 1 . 2]" 1
1049 1 11 ILE HB 1 19 PHE H 1.800 . 5.000 3.505 3.078 5.066 0.066 19 0 "[ . 1 . 2]" 1
1050 1 11 ILE H 1 19 PHE QB 1.800 . 5.500 5.075 4.549 5.509 0.009 4 0 "[ . 1 . 2]" 1
1051 1 11 ILE HA 1 87 VAL H 1.800 . 5.000 4.363 4.067 4.544 . 0 0 "[ . 1 . 2]" 1
1052 1 11 ILE HA 1 87 VAL MG2 1.800 . 6.000 2.487 2.278 2.747 . 0 0 "[ . 1 . 2]" 1
1053 1 11 ILE MD 1 90 TRP HE3 1.800 . 6.000 1.831 1.791 2.157 0.009 14 0 "[ . 1 . 2]" 1
1054 1 11 ILE MD 1 95 TRP HA 1.800 . 6.000 6.083 6.049 6.149 0.149 19 0 "[ . 1 . 2]" 1
1055 1 12 ARG HG3 1 16 ASN HA 1.800 . 5.300 5.333 5.287 5.365 0.065 5 0 "[ . 1 . 2]" 1
1056 1 12 ARG HG2 1 16 ASN HA 1.800 . 5.300 4.842 4.113 5.306 0.006 12 0 "[ . 1 . 2]" 1
1057 1 12 ARG HA 1 18 ILE HA 1.800 . 3.800 2.677 2.209 3.115 . 0 0 "[ . 1 . 2]" 1
1058 1 12 ARG H 1 87 VAL H 1.800 . 5.000 4.397 4.255 4.510 . 0 0 "[ . 1 . 2]" 1
1059 1 12 ARG H 1 87 VAL MG2 1.800 . 5.000 3.550 3.421 3.664 . 0 0 "[ . 1 . 2]" 1
1060 1 12 ARG H 1 88 GLU HA 1.800 . 5.000 4.076 3.852 4.294 . 0 0 "[ . 1 . 2]" 1
1061 1 12 ARG H 1 90 TRP HE3 1.800 . 5.000 3.481 3.235 3.845 . 0 0 "[ . 1 . 2]" 1
1062 1 13 ASN H 1 90 TRP HE3 1.800 . 5.000 3.358 2.287 3.561 . 0 0 "[ . 1 . 2]" 1
1063 1 13 ASN H 1 18 ILE HA 1.800 . 5.000 3.543 2.646 3.964 . 0 0 "[ . 1 . 2]" 1
1064 1 13 ASN H 1 18 ILE HB 1.800 . 5.000 4.528 3.876 5.035 0.035 12 0 "[ . 1 . 2]" 1
1065 1 13 ASN H 1 18 ILE MD 1.800 . 6.000 5.870 4.304 6.208 0.208 1 0 "[ . 1 . 2]" 1
1066 1 13 ASN H 1 18 ILE MG 1.800 . 6.000 4.695 3.207 5.843 . 0 0 "[ . 1 . 2]" 1
1067 1 14 GLU HB3 1 104 TRP QB 1.800 . 6.000 6.087 5.985 6.176 0.176 15 0 "[ . 1 . 2]" 1
1068 1 17 GLU QB 1 105 MET H 1.800 . 5.500 3.291 2.939 3.707 . 0 0 "[ . 1 . 2]" 1
1069 1 17 GLU QG 1 105 MET H 1.800 . 5.500 4.631 2.886 5.526 0.026 18 0 "[ . 1 . 2]" 1
1070 1 17 GLU HA 1 106 SER HA 1.800 . 3.300 2.408 2.135 2.601 . 0 0 "[ . 1 . 2]" 1
1071 1 17 GLU HA 1 107 LEU H 1.800 . 5.000 3.022 2.489 3.324 . 0 0 "[ . 1 . 2]" 1
1072 1 17 GLU HB3 1 107 LEU H 1.800 . 5.000 4.428 3.636 5.042 0.042 10 0 "[ . 1 . 2]" 1
1073 1 17 GLU HB2 1 107 LEU H 1.800 . 5.000 4.924 4.163 5.085 0.085 18 0 "[ . 1 . 2]" 1
1074 1 17 GLU HB3 1 106 SER H 1.800 . 5.500 3.601 2.773 4.484 . 0 0 "[ . 1 . 2]" 1
1075 1 17 GLU HB2 1 106 SER H 1.800 . 5.500 3.867 2.757 4.437 . 0 0 "[ . 1 . 2]" 1
1076 1 17 GLU QB 1 106 SER HA 1.800 . 4.300 2.467 1.934 3.119 . 0 0 "[ . 1 . 2]" 1
1077 1 17 GLU QG 1 106 SER HA 1.800 . 5.500 4.152 3.049 5.106 . 0 0 "[ . 1 . 2]" 1
1078 1 18 ILE H 1 105 MET H 1.800 . 5.000 3.779 3.495 4.079 . 0 0 "[ . 1 . 2]" 1
1079 1 18 ILE H 1 105 MET HA 1.800 . 5.000 5.065 5.005 5.141 0.141 9 0 "[ . 1 . 2]" 1
1080 1 18 ILE H 1 106 SER HA 1.800 . 5.000 3.314 3.005 3.661 . 0 0 "[ . 1 . 2]" 1
1081 1 18 ILE H 1 90 TRP HH2 1.800 . 6.000 5.961 5.686 6.111 0.111 13 0 "[ . 1 . 2]" 1
1082 1 18 ILE HA 1 90 TRP HH2 1.800 . 6.000 3.806 3.430 4.143 . 0 0 "[ . 1 . 2]" 1
1083 1 18 ILE MG 1 90 TRP HZ3 1.800 . 6.000 4.958 3.521 5.533 . 0 0 "[ . 1 . 2]" 1
1084 1 19 PHE QB 1 94 PRO HB3 1.800 . 5.000 5.026 5.001 5.056 0.056 13 0 "[ . 1 . 2]" 1
1085 1 19 PHE QB 1 94 PRO HB2 1.800 . 5.000 4.753 4.452 5.015 0.015 14 0 "[ . 1 . 2]" 1
1086 1 19 PHE QE 1 96 GLY H 1.800 . 7.100 6.786 6.420 7.140 0.040 17 0 "[ . 1 . 2]" 1
1087 1 19 PHE QE 1 95 TRP H 1.800 . 7.100 5.073 4.423 5.534 . 0 0 "[ . 1 . 2]" 1
1088 1 19 PHE QE 1 102 GLY HA2 1.800 . 5.400 3.695 3.367 4.217 . 0 0 "[ . 1 . 2]" 1
1089 1 19 PHE QB 1 103 GLU H 1.800 . 5.500 4.338 3.826 5.511 0.011 1 0 "[ . 1 . 2]" 1
1090 1 19 PHE QE 1 103 GLU H 1.800 . 7.100 4.435 3.977 5.161 . 0 0 "[ . 1 . 2]" 1
1091 1 19 PHE QD 1 104 TRP HE1 1.800 . 7.100 5.862 4.176 7.101 0.001 9 0 "[ . 1 . 2]" 1
1092 1 19 PHE HA 1 104 TRP HA 1.800 . 5.000 2.105 1.884 2.367 . 0 0 "[ . 1 . 2]" 1
1093 1 19 PHE H 1 104 TRP HD1 1.800 . 5.000 4.594 3.992 5.034 0.034 11 0 "[ . 1 . 2]" 1
1094 1 20 ILE H 1 105 MET H 1.800 . 5.000 3.310 2.988 3.784 . 0 0 "[ . 1 . 2]" 1
1095 1 20 ILE MD 1 105 MET QB 1.800 . 6.500 3.365 1.933 3.988 . 0 0 "[ . 1 . 2]" 1
1096 1 20 ILE QG 1 105 MET QB 1.800 . 5.500 3.313 2.180 4.098 . 0 0 "[ . 1 . 2]" 1
1097 1 20 ILE H 1 104 TRP HA 1.800 . 5.000 4.014 3.811 4.245 . 0 0 "[ . 1 . 2]" 1
1098 1 20 ILE MG 1 33 LEU MD2 1.800 . 6.000 3.089 2.383 4.612 . 0 0 "[ . 1 . 2]" 1
1099 1 20 ILE MG 1 33 LEU MD1 1.800 . 7.000 4.050 2.541 4.892 . 0 0 "[ . 1 . 2]" 1
1100 1 20 ILE HB 1 34 GLU HA 1.800 . 5.000 4.990 4.825 5.059 0.059 14 0 "[ . 1 . 2]" 1
1101 1 20 ILE HB 1 34 GLU H 1.800 . 5.000 5.021 4.748 5.098 0.098 7 0 "[ . 1 . 2]" 1
1102 1 20 ILE MD 1 34 GLU HA 1.800 . 6.000 5.334 4.882 6.015 0.015 2 0 "[ . 1 . 2]" 1
1103 1 20 ILE QG 1 33 LEU MD1 1.800 . 7.000 4.012 2.835 5.202 . 0 0 "[ . 1 . 2]" 1
1104 1 20 ILE QG 1 33 LEU MD2 1.800 . 7.000 3.449 1.994 5.139 . 0 0 "[ . 1 . 2]" 1
1105 1 20 ILE MD 1 103 GLU H 1.800 . 6.000 5.815 3.817 6.043 0.043 15 0 "[ . 1 . 2]" 1
1106 1 21 THR H 1 34 GLU H 1.800 . 5.000 4.258 3.788 4.560 . 0 0 "[ . 1 . 2]" 1
1107 1 21 THR MG 1 34 GLU H 1.800 . 6.000 3.444 1.945 5.047 . 0 0 "[ . 1 . 2]" 1
1108 1 21 THR HA 1 102 GLY HA3 1.800 . 5.000 2.350 1.982 2.518 . 0 0 "[ . 1 . 2]" 1
1109 1 21 THR HA 1 102 GLY HA2 1.800 . 5.000 2.793 1.886 3.241 . 0 0 "[ . 1 . 2]" 1
1110 1 21 THR MG 1 102 GLY HA3 1.800 . 6.000 3.942 3.116 5.014 . 0 0 "[ . 1 . 2]" 1
1111 1 21 THR MG 1 102 GLY HA2 1.800 . 6.000 4.809 3.873 5.690 . 0 0 "[ . 1 . 2]" 1
1112 1 21 THR HB 1 102 GLY HA3 1.800 . 5.000 4.197 3.412 4.864 . 0 0 "[ . 1 . 2]" 1
1113 1 21 THR HB 1 102 GLY HA2 1.800 . 5.000 4.636 3.884 5.024 0.024 16 0 "[ . 1 . 2]" 1
1114 1 22 ARG H 1 33 LEU HA 1.800 . 5.000 4.437 4.101 4.948 . 0 0 "[ . 1 . 2]" 1
1115 1 22 ARG HA 1 33 LEU HA 1.800 . 5.000 2.431 1.818 3.682 . 0 0 "[ . 1 . 2]" 1
1116 1 22 ARG HA 1 33 LEU MD2 1.800 . 6.000 3.894 3.080 5.092 . 0 0 "[ . 1 . 2]" 1
1117 1 22 ARG QD 1 114 ASP HB3 1.800 . 6.000 4.493 2.734 5.464 . 0 0 "[ . 1 . 2]" 1
1118 1 22 ARG QD 1 114 ASP HB2 1.800 . 6.000 5.322 3.588 6.031 0.031 7 0 "[ . 1 . 2]" 1
1119 1 23 ARG H 1 33 LEU HA 1.800 . 5.000 3.764 3.350 4.299 . 0 0 "[ . 1 . 2]" 1
1120 1 23 ARG H 1 33 LEU HB3 1.800 . 5.500 5.525 5.364 5.566 0.066 15 0 "[ . 1 . 2]" 1
1121 1 23 ARG H 1 33 LEU HB2 1.800 . 5.500 4.022 3.784 4.257 . 0 0 "[ . 1 . 2]" 1
1122 1 23 ARG H 1 33 LEU MD1 1.800 . 6.500 4.824 4.214 5.419 . 0 0 "[ . 1 . 2]" 1
1123 1 23 ARG H 1 33 LEU MD2 1.800 . 6.500 5.211 4.500 6.232 . 0 0 "[ . 1 . 2]" 1
1124 1 23 ARG HB3 1 24 ALA MB 1.800 . 5.000 4.690 4.316 5.003 0.003 20 0 "[ . 1 . 2]" 1
1125 1 23 ARG HB2 1 24 ALA MB 1.800 . 5.000 4.642 3.520 5.009 0.009 14 0 "[ . 1 . 2]" 1
1126 1 24 ALA MB 1 101 PRO HG3 1.800 . 6.000 5.899 5.013 6.034 0.034 20 0 "[ . 1 . 2]" 1
1127 1 24 ALA MB 1 101 PRO HG2 1.800 . 6.000 4.987 3.745 5.278 . 0 0 "[ . 1 . 2]" 1
1128 1 30 ALA MB 1 114 ASP HB3 1.800 . 6.500 5.314 4.136 5.836 . 0 0 "[ . 1 . 2]" 1
1129 1 30 ALA MB 1 114 ASP HB2 1.800 . 6.500 6.015 4.613 6.525 0.025 2 0 "[ . 1 . 2]" 1
1130 1 32 LYS QB 1 115 PHE QB 1.800 . 6.000 5.959 5.524 6.096 0.096 2 0 "[ . 1 . 2]" 1
1131 1 32 LYS QG 1 115 PHE QB 1.800 . 6.000 5.900 5.175 6.018 0.018 5 0 "[ . 1 . 2]" 1
1132 1 33 LEU QB 1 107 LEU QD 1.800 . 6.500 6.514 6.289 6.559 0.059 20 0 "[ . 1 . 2]" 1
1133 1 33 LEU QD 1 110 LEU QD 1.800 . 8.000 3.199 2.215 5.079 . 0 0 "[ . 1 . 2]" 1
1134 1 33 LEU H 1 115 PHE HA 1.800 . 5.000 2.095 1.943 2.494 . 0 0 "[ . 1 . 2]" 1
1135 1 33 LEU H 1 115 PHE QB 1.800 . 5.500 3.581 3.126 3.821 . 0 0 "[ . 1 . 2]" 1
1136 1 33 LEU HB3 1 115 PHE H 1.800 . 5.000 3.405 3.228 3.739 . 0 0 "[ . 1 . 2]" 1
1137 1 33 LEU HB2 1 115 PHE H 1.800 . 5.000 4.395 3.904 5.014 0.014 1 0 "[ . 1 . 2]" 1
1138 1 33 LEU QD 1 115 PHE H 1.800 . 6.000 3.769 3.529 4.213 . 0 0 "[ . 1 . 2]" 1
1139 1 33 LEU H 1 114 ASP HA 1.800 . 5.000 4.578 4.193 4.900 . 0 0 "[ . 1 . 2]" 1
1140 1 33 LEU H 1 114 ASP QB 1.800 . 5.000 3.825 3.484 4.104 . 0 0 "[ . 1 . 2]" 1
1141 1 33 LEU QB 1 114 ASP H 1.800 . 5.000 4.294 3.864 4.525 . 0 0 "[ . 1 . 2]" 1
1142 1 33 LEU QD 1 114 ASP H 1.800 . 5.000 3.784 3.438 4.066 . 0 0 "[ . 1 . 2]" 1
1143 1 33 LEU HG 1 114 ASP HB3 1.800 . 5.000 3.703 3.486 4.103 . 0 0 "[ . 1 . 2]" 1
1144 1 33 LEU HG 1 114 ASP HB2 1.800 . 5.000 4.998 4.805 5.042 0.042 14 0 "[ . 1 . 2]" 1
1145 1 34 GLU HA 1 115 PHE HA 1.800 . 5.000 4.606 4.158 5.001 0.001 20 0 "[ . 1 . 2]" 1
1146 1 35 PHE QD 1 84 PHE QD 1.800 . 7.500 5.134 4.140 5.591 . 0 0 "[ . 1 . 2]" 1
1147 1 35 PHE QD 1 123 ILE MD 1.800 . 6.400 4.643 4.049 4.991 . 0 0 "[ . 1 . 2]" 1
1148 1 35 PHE QE 1 123 ILE MD 1.800 . 5.000 2.876 2.077 3.266 . 0 0 "[ . 1 . 2]" 1
1149 1 36 PRO HB3 1 54 LEU MD1 1.800 . 6.000 6.042 6.025 6.092 0.092 16 0 "[ . 1 . 2]" 1
1150 1 36 PRO HB2 1 54 LEU MD1 1.800 . 6.000 4.754 4.619 4.984 . 0 0 "[ . 1 . 2]" 1
1151 1 36 PRO HB3 1 98 GLU HB3 1.800 . 5.000 2.660 2.133 2.967 . 0 0 "[ . 1 . 2]" 1
1152 1 36 PRO HB2 1 98 GLU HB3 1.800 . 5.000 4.237 3.597 4.590 . 0 0 "[ . 1 . 2]" 1
1153 1 36 PRO HB3 1 98 GLU HB2 1.800 . 5.000 3.684 3.387 3.797 . 0 0 "[ . 1 . 2]" 1
1154 1 36 PRO HB2 1 98 GLU HB2 1.800 . 5.000 5.003 4.706 5.049 0.049 17 0 "[ . 1 . 2]" 1
1155 1 38 GLY H 1 98 GLU QB 1.800 . 5.500 5.284 4.990 5.514 0.014 14 0 "[ . 1 . 2]" 1
1156 1 38 GLY HA3 1 98 GLU HA 1.800 . 5.500 5.542 5.521 5.575 0.075 17 0 "[ . 1 . 2]" 1
1157 1 42 MET QB 1 52 ARG QB 1.800 . 6.000 5.599 5.235 6.003 0.003 6 0 "[ . 1 . 2]" 1
1158 1 42 MET QB 1 49 ALA HA 1.800 . 5.500 4.838 4.446 5.100 . 0 0 "[ . 1 . 2]" 1
1159 1 40 ILE MD 1 45 THR H 1.800 . 6.000 5.774 5.597 6.022 0.022 11 0 "[ . 1 . 2]" 1
1160 1 45 THR MG 1 47 GLU H 1.800 . 6.000 3.599 3.306 3.800 . 0 0 "[ . 1 . 2]" 1
1161 1 45 THR H 1 48 GLN H 1.800 . 3.300 3.388 3.352 3.447 0.147 3 0 "[ . 1 . 2]" 1
1162 1 45 THR HB 1 48 GLN H 1.800 . 5.000 2.401 2.167 2.583 . 0 0 "[ . 1 . 2]" 1
1163 1 45 THR MG 1 48 GLN H 1.800 . 6.000 4.030 3.853 4.159 . 0 0 "[ . 1 . 2]" 1
1164 1 45 THR HA 1 49 ALA H 1.800 . 5.000 4.876 4.796 4.941 . 0 0 "[ . 1 . 2]" 1
1165 1 40 ILE MD 1 49 ALA H 1.800 . 6.000 3.669 3.353 4.054 . 0 0 "[ . 1 . 2]" 1
1166 1 40 ILE MD 1 49 ALA HA 1.800 . 6.000 3.879 3.725 4.130 . 0 0 "[ . 1 . 2]" 1
1167 1 9 GLY HA2 1 50 VAL MG2 1.800 . 6.000 5.885 5.546 6.100 0.100 20 0 "[ . 1 . 2]" 1
1168 1 40 ILE HB 1 50 VAL MG2 1.800 . 6.000 3.945 3.555 4.647 . 0 0 "[ . 1 . 2]" 1
1169 1 40 ILE MG 1 50 VAL MG2 1.800 . 4.800 3.058 2.560 4.073 . 0 0 "[ . 1 . 2]" 1
1170 1 50 VAL MG2 1 54 LEU MD2 1.800 . 7.000 3.873 3.519 4.578 . 0 0 "[ . 1 . 2]" 1
1171 1 50 VAL MG2 1 85 TRP QB 1.800 . 4.800 3.627 3.391 3.807 . 0 0 "[ . 1 . 2]" 1
1172 1 50 VAL MG2 1 85 TRP HD1 1.800 . 4.800 2.849 2.483 3.895 . 0 0 "[ . 1 . 2]" 1
1173 1 50 VAL MG1 1 85 TRP HE3 1.800 . 4.800 4.585 4.228 4.826 0.026 18 0 "[ . 1 . 2]" 1
1174 1 50 VAL MG1 1 85 TRP H 1.800 . 6.000 5.990 5.734 6.060 0.060 2 0 "[ . 1 . 2]" 1
1175 1 50 VAL MG2 1 65 PHE QD 1.800 . 5.400 5.194 4.566 5.424 0.024 2 0 "[ . 1 . 2]" 1
1176 1 50 VAL MG1 1 85 TRP HD1 1.800 . 7.100 3.889 3.621 4.013 . 0 0 "[ . 1 . 2]" 1
1177 1 7 ALA MB 1 50 VAL MG1 1.800 . 4.800 2.907 2.425 3.094 . 0 0 "[ . 1 . 2]" 1
1178 1 48 GLN HA 1 51 VAL MG1 1.800 . 6.000 3.650 3.415 3.813 . 0 0 "[ . 1 . 2]" 1
1179 1 51 VAL MG1 1 65 PHE QE 1.800 . 6.900 4.133 3.553 5.001 . 0 0 "[ . 1 . 2]" 1
1180 1 51 VAL MG2 1 65 PHE QE 1.800 . 6.900 2.928 1.917 3.823 . 0 0 "[ . 1 . 2]" 1
1181 1 51 VAL MG1 1 65 PHE HZ 1.800 . 4.800 4.822 4.811 4.828 0.028 15 0 "[ . 1 . 2]" 1
1182 1 51 VAL MG2 1 65 PHE HZ 1.800 . 4.800 3.557 3.178 3.857 . 0 0 "[ . 1 . 2]" 1
1183 1 54 LEU MD2 1 60 ILE MD 1.800 . 7.000 6.452 5.634 7.144 0.144 19 0 "[ . 1 . 2]" 1
1184 1 54 LEU MD2 1 65 PHE HB3 1.800 . 6.000 5.780 5.462 6.058 0.058 19 0 "[ . 1 . 2]" 1
1185 1 54 LEU MD2 1 65 PHE HB2 1.800 . 6.000 4.651 4.277 4.901 . 0 0 "[ . 1 . 2]" 1
1186 1 54 LEU MD2 1 65 PHE QD 1.800 . 5.400 3.486 2.853 4.459 . 0 0 "[ . 1 . 2]" 1
1187 1 54 LEU MD1 1 65 PHE QD 1.800 . 7.100 3.733 2.797 4.492 . 0 0 "[ . 1 . 2]" 1
1188 1 55 GLN HA 1 60 ILE H 1.800 . 5.000 4.845 3.873 5.029 0.029 17 0 "[ . 1 . 2]" 1
1189 1 58 VAL QG 1 93 GLU QG 1.800 . 7.500 6.524 5.647 7.502 0.002 5 0 "[ . 1 . 2]" 1
1190 1 58 VAL H 1 95 TRP HE3 1.800 . 5.500 5.666 5.644 5.686 0.186 5 0 "[ . 1 . 2]" 1
1191 1 58 VAL MG1 1 95 TRP H 1.800 . 7.000 3.214 2.816 4.309 . 0 0 "[ . 1 . 2]" 1
1192 1 58 VAL MG2 1 95 TRP H 1.800 . 7.000 4.576 3.580 5.004 . 0 0 "[ . 1 . 2]" 1
1193 1 59 GLY HA3 1 95 TRP HE1 1.800 . 5.000 3.838 3.759 3.933 . 0 0 "[ . 1 . 2]" 1
1194 1 59 GLY HA2 1 95 TRP HE1 1.800 . 5.000 5.014 5.005 5.038 0.038 14 0 "[ . 1 . 2]" 1
1195 1 60 ILE HB 1 90 TRP HD1 1.800 . 5.000 4.545 4.048 5.031 0.031 19 0 "[ . 1 . 2]" 1
1196 1 60 ILE MD 1 91 GLU H 1.800 . 6.000 3.458 2.832 4.606 . 0 0 "[ . 1 . 2]" 1
1197 1 60 ILE HB 1 91 GLU H 1.800 . 5.000 3.930 2.908 5.075 0.075 16 0 "[ . 1 . 2]" 1
1198 1 60 ILE MG 1 93 GLU H 1.800 . 6.000 2.681 2.074 4.382 . 0 0 "[ . 1 . 2]" 1
1199 1 60 ILE MG 1 93 GLU HG3 1.800 . 6.000 5.523 4.686 6.030 0.030 19 0 "[ . 1 . 2]" 1
1200 1 60 ILE MG 1 93 GLU HG2 1.800 . 6.000 5.670 4.921 6.005 0.005 17 0 "[ . 1 . 2]" 1
1201 1 60 ILE MG 1 93 GLU HA 1.800 . 6.000 4.392 4.050 4.719 . 0 0 "[ . 1 . 2]" 1
1202 1 60 ILE HB 1 93 GLU H 1.800 . 5.000 4.660 4.061 5.015 0.015 14 0 "[ . 1 . 2]" 1
1203 1 60 ILE MD 1 95 TRP H 1.800 . 6.000 3.626 2.743 5.645 . 0 0 "[ . 1 . 2]" 1
1204 1 61 THR MG 1 95 TRP HE1 1.800 . 6.000 6.087 6.036 6.105 0.105 15 0 "[ . 1 . 2]" 1
1205 1 61 THR H 1 91 GLU H 1.800 . 5.000 4.051 3.051 4.458 . 0 0 "[ . 1 . 2]" 1
1206 1 61 THR MG 1 91 GLU H 1.800 . 6.000 5.513 2.993 5.970 . 0 0 "[ . 1 . 2]" 1
1207 1 61 THR HB 1 91 GLU H 1.800 . 5.000 5.097 5.053 5.231 0.231 14 0 "[ . 1 . 2]" 1
1208 1 61 THR HB 1 91 GLU QG 1.800 . 5.500 4.797 3.004 5.503 0.003 12 0 "[ . 1 . 2]" 1
1209 1 61 THR HB 1 91 GLU QB 1.800 . 5.500 3.883 3.578 4.553 . 0 0 "[ . 1 . 2]" 1
1210 1 62 PRO HA 1 90 TRP HA 1.800 . 5.000 1.816 1.693 1.894 0.107 14 0 "[ . 1 . 2]" 1
1211 1 62 PRO HA 1 90 TRP HB3 1.800 . 5.000 4.182 3.887 4.366 . 0 0 "[ . 1 . 2]" 1
1212 1 62 PRO HA 1 90 TRP HB2 1.800 . 5.000 3.687 3.601 3.888 . 0 0 "[ . 1 . 2]" 1
1213 1 62 PRO QB 1 90 TRP QB 1.800 . 5.000 1.824 1.756 2.118 0.044 5 0 "[ . 1 . 2]" 1
1214 1 62 PRO QG 1 90 TRP QB 1.800 . 5.000 3.293 3.193 3.619 . 0 0 "[ . 1 . 2]" 1
1215 1 62 PRO HA 1 91 GLU H 1.800 . 5.000 2.162 1.929 2.845 . 0 0 "[ . 1 . 2]" 1
1216 1 63 GLN QG 1 90 TRP HA 1.800 . 5.500 4.862 4.346 5.238 . 0 0 "[ . 1 . 2]" 1
1217 1 63 GLN H 1 90 TRP HA 1.800 . 5.000 2.862 2.606 3.623 . 0 0 "[ . 1 . 2]" 1
1218 1 63 GLN H 1 91 GLU H 1.800 . 5.000 4.006 3.714 4.789 . 0 0 "[ . 1 . 2]" 1
1219 1 63 GLN HA 1 89 ARG H 1.800 . 5.000 4.614 4.416 4.991 . 0 0 "[ . 1 . 2]" 1
1220 1 63 GLN QB 1 89 ARG H 1.800 . 5.000 3.036 2.766 3.839 . 0 0 "[ . 1 . 2]" 1
1221 1 63 GLN QG 1 89 ARG H 1.800 . 5.500 4.568 2.168 5.067 . 0 0 "[ . 1 . 2]" 1
1222 1 64 HIS QB 1 89 ARG QG 1.800 . 5.500 5.416 5.154 5.551 0.051 20 0 "[ . 1 . 2]" 1
1223 1 64 HIS H 1 89 ARG H 1.800 . 5.000 4.515 4.378 4.701 . 0 0 "[ . 1 . 2]" 1
1224 1 64 HIS HB3 1 89 ARG H 1.800 . 5.000 5.132 5.074 5.193 0.193 14 0 "[ . 1 . 2]" 1
1225 1 64 HIS HB3 1 88 GLU H 1.800 . 5.000 5.039 4.993 5.070 0.070 2 0 "[ . 1 . 2]" 1
1226 1 64 HIS HB2 1 88 GLU H 1.800 . 5.000 3.918 3.877 3.961 . 0 0 "[ . 1 . 2]" 1
1227 1 65 PHE QD 1 85 TRP HE3 1.800 . 5.400 3.608 2.231 4.874 . 0 0 "[ . 1 . 2]" 1
1228 1 65 PHE QD 1 85 TRP HZ3 1.800 . 7.100 3.891 2.555 5.212 . 0 0 "[ . 1 . 2]" 1
1229 1 65 PHE QE 1 85 TRP HE3 1.800 . 7.100 4.519 3.608 5.359 . 0 0 "[ . 1 . 2]" 1
1230 1 65 PHE QB 1 88 GLU H 1.800 . 5.000 5.084 5.057 5.123 0.123 19 0 "[ . 1 . 2]" 1
1231 1 65 PHE HA 1 87 VAL HA 1.800 . 5.000 4.593 4.513 4.681 . 0 0 "[ . 1 . 2]" 1
1232 1 65 PHE HB3 1 87 VAL HA 1.800 . 5.500 5.374 5.330 5.445 . 0 0 "[ . 1 . 2]" 1
1233 1 65 PHE HB2 1 87 VAL HA 1.800 . 5.500 5.170 5.069 5.275 . 0 0 "[ . 1 . 2]" 1
1234 1 65 PHE HB3 1 87 VAL MG2 1.800 . 6.000 6.096 6.058 6.138 0.138 9 0 "[ . 1 . 2]" 1
1235 1 65 PHE HB2 1 87 VAL MG2 1.800 . 6.000 5.730 5.567 5.860 . 0 0 "[ . 1 . 2]" 1
1236 1 66 SER H 1 86 LEU H 1.800 . 5.000 5.088 5.049 5.132 0.132 5 0 "[ . 1 . 2]" 1
1237 1 66 SER HA 1 86 LEU H 1.800 . 5.000 4.526 4.461 4.727 . 0 0 "[ . 1 . 2]" 1
1238 1 66 SER H 1 87 VAL MG2 1.800 . 6.000 6.098 6.061 6.174 0.174 8 0 "[ . 1 . 2]" 1
1239 1 67 LEU MD2 1 83 TRP HA 1.800 . 6.000 5.443 4.743 6.008 0.008 7 0 "[ . 1 . 2]" 1
1240 1 67 LEU MD2 1 84 PHE H 1.800 . 6.000 5.061 4.170 5.907 . 0 0 "[ . 1 . 2]" 1
1241 1 67 LEU H 1 85 TRP HE3 1.800 . 5.000 4.059 2.741 4.686 . 0 0 "[ . 1 . 2]" 1
1242 1 67 LEU HA 1 86 LEU H 1.800 . 5.000 2.227 1.947 3.028 . 0 0 "[ . 1 . 2]" 1
1243 1 68 PHE H 1 85 TRP HA 1.800 . 5.000 2.778 1.907 3.128 . 0 0 "[ . 1 . 2]" 1
1244 1 68 PHE QD 1 85 TRP HA 1.800 . 7.100 5.162 4.457 5.515 . 0 0 "[ . 1 . 2]" 1
1245 1 68 PHE H 1 86 LEU H 1.800 . 5.000 2.377 2.256 2.521 . 0 0 "[ . 1 . 2]" 1
1246 1 68 PHE H 1 86 LEU MD2 1.800 . 7.000 4.285 3.125 4.841 . 0 0 "[ . 1 . 2]" 1
1247 1 68 PHE QD 1 86 LEU MD2 1.800 . 7.100 3.781 2.786 4.761 . 0 0 "[ . 1 . 2]" 1
1248 1 68 PHE QE 1 86 LEU MD2 1.800 . 7.100 5.555 4.384 6.598 . 0 0 "[ . 1 . 2]" 1
1249 1 68 PHE QD 1 122 VAL MG1 1.800 . 5.000 4.441 3.533 5.011 0.011 14 0 "[ . 1 . 2]" 1
1250 1 68 PHE QE 1 122 VAL MG1 1.800 . 5.000 2.892 1.881 3.655 . 0 0 "[ . 1 . 2]" 1
1251 1 68 PHE QE 1 123 ILE MD 1.800 . 5.400 4.372 3.824 4.592 . 0 0 "[ . 1 . 2]" 1
1252 1 68 PHE HZ 1 126 LEU H 1.800 . 5.000 4.776 4.347 5.028 0.028 18 0 "[ . 1 . 2]" 1
1253 1 68 PHE HZ 1 126 LEU MD2 1.800 . 3.800 3.175 2.002 3.657 . 0 0 "[ . 1 . 2]" 1
1254 1 68 PHE HZ 1 126 LEU MD1 1.800 . 6.000 3.894 2.265 5.374 . 0 0 "[ . 1 . 2]" 1
1255 1 69 GLU H 1 84 PHE H 1.800 . 5.000 3.534 3.302 3.659 . 0 0 "[ . 1 . 2]" 1
1256 1 69 GLU H 1 85 TRP HA 1.800 . 5.000 4.484 4.000 4.957 . 0 0 "[ . 1 . 2]" 1
1257 1 69 GLU H 1 84 PHE HB3 1.800 . 3.800 3.271 3.157 3.464 . 0 0 "[ . 1 . 2]" 1
1258 1 69 GLU H 1 84 PHE HB2 1.800 . 3.800 2.391 2.023 2.581 . 0 0 "[ . 1 . 2]" 1
1259 1 70 LYS HA 1 84 PHE HA 1.800 . 5.000 5.066 5.022 5.101 0.101 12 0 "[ . 1 . 2]" 1
1260 1 71 LEU QD 1 80 ILE HB 1.800 . 7.000 5.155 4.628 5.622 . 0 0 "[ . 1 . 2]" 1
1261 1 71 LEU H 1 82 LEU QB 1.800 . 5.500 2.638 1.964 3.018 . 0 0 "[ . 1 . 2]" 1
1262 1 71 LEU H 1 82 LEU QD 1.800 . 7.000 4.071 3.638 4.401 . 0 0 "[ . 1 . 2]" 1
1263 1 71 LEU H 1 83 TRP HA 1.800 . 5.000 3.541 3.279 3.805 . 0 0 "[ . 1 . 2]" 1
1264 1 71 LEU QD 1 83 TRP H 1.800 . 7.000 5.852 5.190 6.297 . 0 0 "[ . 1 . 2]" 1
1265 1 71 LEU H 1 84 PHE H 1.800 . 5.000 4.332 4.136 4.622 . 0 0 "[ . 1 . 2]" 1
1266 1 71 LEU H 1 84 PHE QD 1.800 . 7.100 4.108 3.344 4.609 . 0 0 "[ . 1 . 2]" 1
1267 1 71 LEU MD1 1 84 PHE HZ 1.800 . 7.100 6.320 5.797 6.994 . 0 0 "[ . 1 . 2]" 1
1268 1 71 LEU MD2 1 84 PHE HZ 1.800 . 7.100 5.485 3.425 7.104 0.004 18 0 "[ . 1 . 2]" 1
1269 1 71 LEU MD1 1 84 PHE QE 1.800 . 6.400 5.656 4.705 6.406 0.006 5 0 "[ . 1 . 2]" 1
1270 1 71 LEU MD2 1 84 PHE QE 1.800 . 6.400 4.923 3.257 6.383 . 0 0 "[ . 1 . 2]" 1
1271 1 71 LEU QD 1 121 PRO QB 1.800 . 6.500 1.885 1.729 2.409 0.071 14 0 "[ . 1 . 2]" 1
1272 1 71 LEU QD 1 121 PRO QG 1.800 . 6.500 2.398 1.794 2.965 0.006 2 0 "[ . 1 . 2]" 1
1273 1 72 GLU HA 1 81 THR HA 1.800 . 2.800 2.814 2.560 2.850 0.050 18 0 "[ . 1 . 2]" 1
1274 1 72 GLU QG 1 81 THR MG 1.800 . 7.000 2.740 1.798 4.221 0.002 7 0 "[ . 1 . 2]" 1
1275 1 72 GLU QB 1 81 THR MG 1.800 . 7.000 3.092 2.912 3.359 . 0 0 "[ . 1 . 2]" 1
1276 1 72 GLU HA 1 81 THR MG 1.800 . 5.000 2.783 2.367 3.268 . 0 0 "[ . 1 . 2]" 1
1277 1 72 GLU H 1 82 LEU H 1.800 . 5.000 4.790 4.524 4.874 . 0 0 "[ . 1 . 2]" 1
1278 1 73 TYR H 1 80 ILE H 1.800 . 5.000 3.799 3.623 4.062 . 0 0 "[ . 1 . 2]" 1
1279 1 73 TYR H 1 80 ILE MD 1.800 . 6.000 5.688 5.445 5.988 . 0 0 "[ . 1 . 2]" 1
1280 1 73 TYR QB 1 80 ILE H 1.800 . 5.500 4.312 3.858 5.543 0.043 11 0 "[ . 1 . 2]" 1
1281 1 73 TYR QD 1 80 ILE MD 1.800 . 8.100 5.784 4.396 6.221 . 0 0 "[ . 1 . 2]" 1
1282 1 73 TYR H 1 81 THR HA 1.800 . 5.000 3.560 3.253 3.731 . 0 0 "[ . 1 . 2]" 1
1283 1 73 TYR H 1 81 THR MG 1.800 . 5.000 3.833 3.403 4.681 . 0 0 "[ . 1 . 2]" 1
1284 1 73 TYR QD 1 81 THR MG 1.800 . 8.100 6.896 5.355 7.492 . 0 0 "[ . 1 . 2]" 1
1285 1 73 TYR H 1 82 LEU H 1.800 . 5.000 4.709 4.507 4.844 . 0 0 "[ . 1 . 2]" 1
1286 1 74 GLU HB3 1 79 HIS H 1.800 . 5.000 5.051 5.035 5.070 0.070 6 0 "[ . 1 . 2]" 1
1287 1 74 GLU HB2 1 79 HIS H 1.800 . 5.000 5.026 5.007 5.047 0.047 11 0 "[ . 1 . 2]" 1
1288 1 74 GLU QG 1 79 HIS H 1.800 . 7.100 6.561 6.540 6.599 . 0 0 "[ . 1 . 2]" 1
1289 1 74 GLU HB3 1 79 HIS QB 1.800 . 5.500 2.796 1.858 3.957 . 0 0 "[ . 1 . 2]" 1
1290 1 74 GLU HB2 1 79 HIS QB 1.800 . 5.500 3.441 2.406 4.446 . 0 0 "[ . 1 . 2]" 1
1291 1 74 GLU QG 1 79 HIS QB 1.800 . 6.000 4.600 3.845 5.565 . 0 0 "[ . 1 . 2]" 1
1292 1 74 GLU HA 1 79 HIS HA 1.800 . 3.300 2.157 1.905 2.662 . 0 0 "[ . 1 . 2]" 1
1293 1 74 GLU HA 1 79 HIS QB 1.800 . 5.000 3.340 1.972 4.677 . 0 0 "[ . 1 . 2]" 1
1294 1 75 PHE H 1 80 ILE H 1.800 . 5.000 3.932 3.444 4.332 . 0 0 "[ . 1 . 2]" 1
1295 1 75 PHE H 1 78 ARG H 1.800 . 5.000 4.242 3.585 4.834 . 0 0 "[ . 1 . 2]" 1
1296 1 75 PHE H 1 79 HIS HA 1.800 . 5.000 2.852 1.855 3.831 . 0 0 "[ . 1 . 2]" 1
1297 1 75 PHE H 1 79 HIS QB 1.800 . 5.500 4.442 2.603 5.535 0.035 2 0 "[ . 1 . 2]" 1
1298 1 74 GLU HA 1 80 ILE H 1.800 . 5.000 2.748 2.601 2.878 . 0 0 "[ . 1 . 2]" 1
1299 1 5 GLN HA 1 81 THR HB 1.800 . 5.000 3.067 2.815 3.543 . 0 0 "[ . 1 . 2]" 1
1300 1 5 GLN HB3 1 81 THR HB 1.800 . 5.000 3.198 2.839 3.801 . 0 0 "[ . 1 . 2]" 1
1301 1 5 GLN HB2 1 81 THR HB 1.800 . 5.000 4.778 4.448 5.050 0.050 6 0 "[ . 1 . 2]" 1
1302 1 5 GLN QG 1 81 THR HB 1.800 . 5.500 3.090 2.645 3.762 . 0 0 "[ . 1 . 2]" 1
1303 1 5 GLN QG 1 81 THR MG 1.800 . 6.500 3.472 3.381 3.631 . 0 0 "[ . 1 . 2]" 1
1304 1 5 GLN QB 1 81 THR MG 1.800 . 6.500 4.240 3.653 4.535 . 0 0 "[ . 1 . 2]" 1
1305 1 5 GLN H 1 81 THR MG 1.800 . 6.000 6.075 6.038 6.114 0.114 2 0 "[ . 1 . 2]" 1
1306 1 6 ILE H 1 81 THR MG 1.800 . 6.000 4.840 3.649 5.101 . 0 0 "[ . 1 . 2]" 1
1307 1 81 THR MG 1 83 TRP HE1 1.800 . 6.000 2.012 1.785 2.323 0.015 6 0 "[ . 1 . 2]" 1
1308 1 72 GLU QB 1 81 THR HB 1.800 . 5.500 5.497 5.324 5.594 0.094 7 0 "[ . 1 . 2]" 1
1309 1 72 GLU QG 1 81 THR HB 1.800 . 5.500 5.429 3.428 5.545 0.045 5 0 "[ . 1 . 2]" 1
1310 1 72 GLU HA 1 82 LEU H 1.800 . 5.000 3.661 3.207 3.875 . 0 0 "[ . 1 . 2]" 1
1311 1 71 LEU QD 1 82 LEU H 1.800 . 7.000 3.196 1.970 3.821 . 0 0 "[ . 1 . 2]" 1
1312 1 68 PHE QD 1 84 PHE QE 1.800 . 7.000 5.062 4.877 5.342 . 0 0 "[ . 1 . 2]" 1
1313 1 68 PHE HA 1 86 LEU HA 1.800 . 5.000 5.099 5.049 5.147 0.147 20 0 "[ . 1 . 2]" 1
1314 1 90 TRP HH2 1 105 MET H 1.800 . 5.000 4.966 4.751 5.074 0.074 16 0 "[ . 1 . 2]" 1
1315 1 107 LEU QD 1 126 LEU QB 1.800 . 7.500 4.908 4.393 5.539 . 0 0 "[ . 1 . 2]" 1
1316 1 109 GLY HA3 1 129 LEU MD2 1.800 . 5.000 5.044 5.017 5.077 0.077 15 0 "[ . 1 . 2]" 1
1317 1 109 GLY HA2 1 129 LEU MD2 1.800 . 5.000 3.680 3.548 3.953 . 0 0 "[ . 1 . 2]" 1
1318 1 110 LEU QD 1 123 ILE MD 1.800 . 7.000 1.767 1.712 1.906 0.088 2 0 "[ . 1 . 2]" 1
1319 1 110 LEU MD2 1 127 LYS HA 1.800 . 4.300 4.193 1.970 4.353 0.053 15 0 "[ . 1 . 2]" 1
1320 1 110 LEU MD1 1 127 LYS HA 1.800 . 6.000 5.273 1.958 6.034 0.034 6 0 "[ . 1 . 2]" 1
1321 1 110 LEU QD 1 127 LYS QG 1.800 . 6.500 3.592 2.085 4.770 . 0 0 "[ . 1 . 2]" 1
1322 1 111 ASN H 1 115 PHE QE 1.800 . 7.100 7.007 6.783 7.155 0.055 2 0 "[ . 1 . 2]" 1
1323 1 111 ASN HA 1 115 PHE QB 1.800 . 5.500 5.600 5.560 5.653 0.153 13 0 "[ . 1 . 2]" 1
1324 1 111 ASN HB3 1 115 PHE QB 1.800 . 5.500 4.643 4.204 4.921 . 0 0 "[ . 1 . 2]" 1
1325 1 111 ASN HB2 1 115 PHE QB 1.800 . 5.500 5.353 5.104 5.534 0.034 15 0 "[ . 1 . 2]" 1
1326 1 112 ALA H 1 123 ILE MD 1.800 . 6.000 5.295 5.031 5.496 . 0 0 "[ . 1 . 2]" 1
1327 1 112 ALA H 1 123 ILE MG 1.800 . 6.000 3.446 2.782 4.058 . 0 0 "[ . 1 . 2]" 1
1328 1 112 ALA HA 1 123 ILE MD 1.800 . 4.300 4.353 4.329 4.382 0.082 1 0 "[ . 1 . 2]" 1
1329 1 112 ALA HA 1 123 ILE MG 1.800 . 6.000 2.820 2.293 3.294 . 0 0 "[ . 1 . 2]" 1
1330 1 112 ALA MB 1 123 ILE MD 1.800 . 5.300 4.108 3.869 4.354 . 0 0 "[ . 1 . 2]" 1
1331 1 112 ALA MB 1 123 ILE MG 1.800 . 5.300 1.951 1.772 2.507 0.028 20 0 "[ . 1 . 2]" 1
1332 1 112 ALA MB 1 123 ILE HB 1.800 . 4.300 3.135 2.655 3.857 . 0 0 "[ . 1 . 2]" 1
1333 1 112 ALA MB 1 120 GLU HA 1.800 . 6.000 3.039 2.560 3.855 . 0 0 "[ . 1 . 2]" 1
1334 1 112 ALA MB 1 120 GLU HB3 1.800 . 4.300 4.338 4.320 4.376 0.076 15 0 "[ . 1 . 2]" 1
1335 1 112 ALA MB 1 120 GLU HB2 1.800 . 4.300 3.859 3.039 4.330 0.030 13 0 "[ . 1 . 2]" 1
1336 1 115 PHE QB 1 119 ASN HB3 1.800 . 5.500 5.465 5.205 5.542 0.042 5 0 "[ . 1 . 2]" 1
1337 1 115 PHE QB 1 119 ASN HB2 1.800 . 5.500 5.523 5.458 5.545 0.045 4 0 "[ . 1 . 2]" 1
1338 1 115 PHE QD 1 122 VAL MG2 1.800 . 6.400 6.460 6.411 6.480 0.080 7 0 "[ . 1 . 2]" 1
1339 1 115 PHE QE 1 122 VAL MG2 1.800 . 6.400 4.601 4.575 4.618 . 0 0 "[ . 1 . 2]" 1
1340 1 115 PHE HZ 1 122 VAL MG2 1.800 . 6.000 4.560 4.318 4.876 . 0 0 "[ . 1 . 2]" 1
1341 1 115 PHE QD 1 123 ILE MD 1.800 . 6.400 3.692 3.177 4.060 . 0 0 "[ . 1 . 2]" 1
1342 1 115 PHE QE 1 123 ILE MD 1.800 . 7.100 3.269 2.761 3.765 . 0 0 "[ . 1 . 2]" 1
1343 1 84 PHE QD 1 122 VAL MG2 1.800 . 5.900 3.570 3.339 3.940 . 0 0 "[ . 1 . 2]" 1
1344 1 84 PHE QE 1 122 VAL MG2 1.800 . 6.400 2.519 2.016 3.173 . 0 0 "[ . 1 . 2]" 1
1345 1 84 PHE HZ 1 122 VAL MG2 1.800 . 6.000 2.371 1.936 2.989 . 0 0 "[ . 1 . 2]" 1
1346 1 84 PHE QD 1 122 VAL MG1 1.800 . 5.900 3.592 2.474 4.266 . 0 0 "[ . 1 . 2]" 1
1347 1 84 PHE QE 1 122 VAL MG1 1.800 . 6.400 3.592 2.504 4.399 . 0 0 "[ . 1 . 2]" 1
1348 1 84 PHE HZ 1 122 VAL MG1 1.800 . 6.000 4.226 3.338 5.096 . 0 0 "[ . 1 . 2]" 1
1349 1 84 PHE QD 1 123 ILE MG 1.800 . 5.900 5.992 5.941 6.026 0.126 7 0 "[ . 1 . 2]" 1
1350 1 68 PHE QD 1 122 VAL MG2 1.800 . 5.900 5.800 5.398 5.939 0.039 1 0 "[ . 1 . 2]" 1
1351 1 68 PHE QE 1 122 VAL MG2 1.800 . 6.400 4.447 4.071 4.703 . 0 0 "[ . 1 . 2]" 1
1352 1 84 PHE QE 1 123 ILE MD 1.800 . 7.100 2.558 2.139 3.000 . 0 0 "[ . 1 . 2]" 1
1353 1 68 PHE QD 1 123 ILE MD 1.800 . 7.100 5.617 5.209 5.870 . 0 0 "[ . 1 . 2]" 1
1354 1 68 PHE HZ 1 123 ILE MD 1.800 . 4.300 4.226 3.823 4.321 0.021 18 0 "[ . 1 . 2]" 1
1355 1 34 GLU QG 1 119 ASN HB3 1.800 . 5.500 4.312 3.421 5.539 0.039 20 0 "[ . 1 . 2]" 1
1356 1 34 GLU QG 1 119 ASN HB2 1.800 . 5.500 3.732 3.202 4.941 . 0 0 "[ . 1 . 2]" 1
1357 1 34 GLU QB 1 119 ASN HB3 1.800 . 7.000 5.803 4.002 6.685 . 0 0 "[ . 1 . 2]" 1
1358 1 34 GLU QB 1 119 ASN HB2 1.800 . 7.000 5.100 3.696 5.798 . 0 0 "[ . 1 . 2]" 1
1359 1 8 VAL HB 1 37 GLY HA3 1.800 . 3.800 3.290 2.567 3.410 . 0 0 "[ . 1 . 2]" 1
1360 1 8 VAL HB 1 37 GLY HA2 1.800 . 5.000 4.980 4.200 5.067 0.067 18 0 "[ . 1 . 2]" 1
1361 1 8 VAL HA 1 37 GLY HA3 1.800 . 4.300 1.823 1.742 2.046 0.058 18 0 "[ . 1 . 2]" 1
1362 1 8 VAL HA 1 37 GLY HA2 1.800 . 4.300 3.470 3.335 3.719 . 0 0 "[ . 1 . 2]" 1
1363 1 82 LEU MD1 1 122 VAL MG1 1.800 . 5.300 4.621 3.750 5.330 0.030 7 0 "[ . 1 . 2]" 1
1364 1 71 LEU MD1 1 122 VAL MG1 1.800 . 5.800 3.627 2.592 5.076 . 0 0 "[ . 1 . 2]" 1
1365 1 75 PHE QD 1 80 ILE MD 1.800 . 5.800 5.283 4.888 5.688 . 0 0 "[ . 1 . 2]" 1
1366 1 75 PHE QD 1 80 ILE MG 1.800 . 7.100 3.209 2.730 3.704 . 0 0 "[ . 1 . 2]" 1
1367 1 75 PHE QD 1 80 ILE HB 1.800 . 5.000 5.009 4.887 5.037 0.037 11 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 6
_Distance_constraint_stats_list.Viol_count 68
_Distance_constraint_stats_list.Viol_total 265.008
_Distance_constraint_stats_list.Viol_max 1.358
_Distance_constraint_stats_list.Viol_rms 0.3054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1104
_Distance_constraint_stats_list.Viol_average_violations_only 0.1949
_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 38 GLY 4.920 1.184 5 4 "[* -+ 1 . *]"
1 53 GLU 11.366 1.358 8 6 "[* -* + 1 * . *]"
1 56 GLU 1.619 0.497 11 0 "[ . 1 . 2]"
1 57 GLU 8.596 1.358 8 6 "[* *- + 1 * . *]"
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 56 GLU OE1 1 57 GLU OE2 3.000 3.000 4.500 3.259 2.503 4.946 0.497 11 0 "[ . 1 . 2]" 2
2 1 53 GLU OE2 1 57 GLU OE2 3.000 3.000 4.500 4.424 3.329 5.858 1.358 8 6 "[* *- + 1 * . *]" 2
3 1 38 GLY O 1 57 GLU OE2 3.000 3.000 4.500 3.495 2.988 4.854 0.354 11 0 "[ . 1 . 2]" 2
4 1 53 GLU OE2 1 56 GLU OE1 3.000 3.000 4.500 3.417 2.988 4.559 0.059 20 0 "[ . 1 . 2]" 2
5 1 38 GLY O 1 56 GLU OE1 3.000 3.000 4.500 4.523 4.506 4.540 0.040 12 0 "[ . 1 . 2]" 2
6 1 38 GLY O 1 53 GLU OE2 3.000 3.000 4.500 3.871 2.993 5.684 1.184 5 4 "[* -+ 1 . *]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 82
_Distance_constraint_stats_list.Viol_count 144
_Distance_constraint_stats_list.Viol_total 123.557
_Distance_constraint_stats_list.Viol_max 0.178
_Distance_constraint_stats_list.Viol_rms 0.0147
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0429
_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 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ILE 0.001 0.001 19 0 "[ . 1 . 2]"
1 8 VAL 0.029 0.011 9 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ILE 0.074 0.028 12 0 "[ . 1 . 2]"
1 12 ARG 1.380 0.178 18 0 "[ . 1 . 2]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASN 0.567 0.071 1 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.026 0.009 10 0 "[ . 1 . 2]"
1 19 PHE 0.074 0.028 12 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.455 0.079 5 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.683 0.064 17 0 "[ . 1 . 2]"
1 54 LEU 0.455 0.079 5 0 "[ . 1 . 2]"
1 55 GLN 0.031 0.014 11 0 "[ . 1 . 2]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.683 0.064 17 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.031 0.014 11 0 "[ . 1 . 2]"
1 69 GLU 0.009 0.009 18 0 "[ . 1 . 2]"
1 71 LEU 0.751 0.063 15 0 "[ . 1 . 2]"
1 73 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 THR 0.001 0.001 19 0 "[ . 1 . 2]"
1 82 LEU 0.751 0.063 15 0 "[ . 1 . 2]"
1 83 TRP 0.029 0.011 9 0 "[ . 1 . 2]"
1 84 PHE 0.009 0.009 18 0 "[ . 1 . 2]"
1 85 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ARG 1.380 0.178 18 0 "[ . 1 . 2]"
1 103 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 MET 0.026 0.009 10 0 "[ . 1 . 2]"
1 107 LEU 0.567 0.071 1 0 "[ . 1 . 2]"
1 119 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.947 0.088 2 0 "[ . 1 . 2]"
1 121 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ILE 1.223 0.081 4 0 "[ . 1 . 2]"
1 124 ALA 0.947 0.088 2 0 "[ . 1 . 2]"
1 125 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 LYS 1.223 0.081 4 0 "[ . 1 . 2]"
1 128 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 ILE H 1 19 PHE O 1.500 . 4.000 3.772 3.357 4.028 0.028 12 0 "[ . 1 . 2]" 3
2 1 11 ILE N 1 19 PHE O 2.500 2.500 6.000 4.614 4.234 4.965 . 0 0 "[ . 1 . 2]" 3
3 1 13 ASN H 1 17 GLU O 1.500 . 4.000 2.831 2.411 3.515 . 0 0 "[ . 1 . 2]" 3
4 1 13 ASN N 1 17 GLU O 2.500 2.500 6.000 3.349 3.046 3.922 . 0 0 "[ . 1 . 2]" 3
5 1 11 ILE O 1 19 PHE H 1.500 . 4.000 2.558 2.096 2.940 . 0 0 "[ . 1 . 2]" 3
6 1 11 ILE O 1 19 PHE N 2.500 2.500 6.000 3.158 2.772 3.631 . 0 0 "[ . 1 . 2]" 3
7 1 4 LEU H 1 79 HIS O 1.500 . 4.000 1.871 1.620 2.143 . 0 0 "[ . 1 . 2]" 3
8 1 4 LEU N 1 79 HIS O 2.500 2.500 6.000 2.695 2.561 2.815 . 0 0 "[ . 1 . 2]" 3
9 1 6 ILE H 1 81 THR O 1.500 . 4.000 1.730 1.631 1.877 . 0 0 "[ . 1 . 2]" 3
10 1 6 ILE N 1 81 THR O 2.500 2.500 6.000 2.587 2.499 2.713 0.001 19 0 "[ . 1 . 2]" 3
11 1 8 VAL H 1 83 TRP O 1.500 . 4.000 1.654 1.538 1.900 . 0 0 "[ . 1 . 2]" 3
12 1 8 VAL N 1 83 TRP O 2.500 2.500 6.000 2.548 2.489 2.658 0.011 9 0 "[ . 1 . 2]" 3
13 1 10 ILE H 1 85 TRP O 1.500 . 4.000 2.823 2.393 3.754 . 0 0 "[ . 1 . 2]" 3
14 1 10 ILE N 1 85 TRP O 2.500 2.500 6.000 3.584 3.309 3.844 . 0 0 "[ . 1 . 2]" 3
15 1 12 ARG H 1 87 VAL O 1.500 . 4.000 3.178 3.000 3.327 . 0 0 "[ . 1 . 2]" 3
16 1 12 ARG N 1 87 VAL O 2.500 2.500 6.000 3.811 3.605 3.938 . 0 0 "[ . 1 . 2]" 3
17 1 4 LEU O 1 81 THR H 1.500 . 4.000 2.112 1.818 2.344 . 0 0 "[ . 1 . 2]" 3
18 1 4 LEU O 1 81 THR N 2.500 2.500 6.000 2.995 2.759 3.228 . 0 0 "[ . 1 . 2]" 3
19 1 6 ILE O 1 83 TRP H 1.500 . 4.000 1.789 1.667 1.919 . 0 0 "[ . 1 . 2]" 3
20 1 6 ILE O 1 83 TRP N 2.500 2.500 6.000 2.728 2.616 2.839 . 0 0 "[ . 1 . 2]" 3
21 1 8 VAL O 1 85 TRP H 1.500 . 4.000 1.784 1.606 2.660 . 0 0 "[ . 1 . 2]" 3
22 1 8 VAL O 1 85 TRP N 2.500 2.500 6.000 2.687 2.535 3.426 . 0 0 "[ . 1 . 2]" 3
23 1 10 ILE O 1 87 VAL H 1.500 . 4.000 2.695 2.477 2.797 . 0 0 "[ . 1 . 2]" 3
24 1 10 ILE O 1 87 VAL N 2.500 2.500 6.000 3.367 3.172 3.474 . 0 0 "[ . 1 . 2]" 3
25 1 12 ARG O 1 89 ARG H 1.500 . 4.000 4.068 3.985 4.178 0.178 18 0 "[ . 1 . 2]" 3
26 1 12 ARG O 1 89 ARG N 2.500 2.500 6.000 3.500 3.382 3.737 . 0 0 "[ . 1 . 2]" 3
27 1 75 PHE H 1 78 ARG O 1.500 . 4.000 2.578 2.015 3.005 . 0 0 "[ . 1 . 2]" 3
28 1 75 PHE N 1 78 ARG O 2.500 2.500 6.000 3.066 2.789 3.709 . 0 0 "[ . 1 . 2]" 3
29 1 73 TYR H 1 80 ILE O 1.500 . 4.000 2.403 2.281 2.656 . 0 0 "[ . 1 . 2]" 3
30 1 73 TYR N 1 80 ILE O 2.500 2.500 6.000 3.356 3.253 3.560 . 0 0 "[ . 1 . 2]" 3
31 1 71 LEU H 1 82 LEU O 1.500 . 4.000 1.617 1.505 1.775 . 0 0 "[ . 1 . 2]" 3
32 1 71 LEU N 1 82 LEU O 2.500 2.500 6.000 2.462 2.437 2.490 0.063 15 0 "[ . 1 . 2]" 3
33 1 69 GLU H 1 84 PHE O 1.500 . 4.000 2.546 2.312 3.024 . 0 0 "[ . 1 . 2]" 3
34 1 69 GLU N 1 84 PHE O 2.500 2.500 6.000 3.479 3.260 3.811 . 0 0 "[ . 1 . 2]" 3
35 1 73 TYR O 1 80 ILE H 1.500 . 4.000 2.117 1.905 2.465 . 0 0 "[ . 1 . 2]" 3
36 1 73 TYR O 1 80 ILE N 2.500 2.500 6.000 3.055 2.855 3.370 . 0 0 "[ . 1 . 2]" 3
37 1 71 LEU O 1 82 LEU H 1.500 . 4.000 1.826 1.675 1.972 . 0 0 "[ . 1 . 2]" 3
38 1 71 LEU O 1 82 LEU N 2.500 2.500 6.000 2.787 2.618 2.883 . 0 0 "[ . 1 . 2]" 3
39 1 69 GLU O 1 84 PHE H 1.500 . 4.000 1.800 1.648 2.395 . 0 0 "[ . 1 . 2]" 3
40 1 69 GLU O 1 84 PHE N 2.500 2.500 6.000 2.605 2.491 3.019 0.009 18 0 "[ . 1 . 2]" 3
41 1 20 ILE H 1 103 GLU O 1.500 . 4.000 2.811 2.537 3.037 . 0 0 "[ . 1 . 2]" 3
42 1 20 ILE N 1 103 GLU O 2.500 2.500 6.000 3.563 3.322 3.756 . 0 0 "[ . 1 . 2]" 3
43 1 18 ILE H 1 105 MET O 1.500 . 4.000 2.072 1.973 2.237 . 0 0 "[ . 1 . 2]" 3
44 1 18 ILE N 1 105 MET O 2.500 2.500 6.000 2.552 2.491 2.666 0.009 10 0 "[ . 1 . 2]" 3
45 1 16 ASN O 1 107 LEU H 1.500 . 4.000 3.970 3.519 4.071 0.071 1 0 "[ . 1 . 2]" 3
46 1 16 ASN O 1 107 LEU N 2.500 2.500 6.000 4.940 4.492 5.048 . 0 0 "[ . 1 . 2]" 3
47 1 18 ILE O 1 105 MET H 1.500 . 4.000 2.463 2.287 2.954 . 0 0 "[ . 1 . 2]" 3
48 1 18 ILE O 1 105 MET N 2.500 2.500 6.000 3.385 3.191 3.832 . 0 0 "[ . 1 . 2]" 3
49 1 20 ILE O 1 103 GLU H 1.500 . 4.000 2.995 2.142 3.827 . 0 0 "[ . 1 . 2]" 3
50 1 20 ILE O 1 103 GLU N 2.500 2.500 6.000 3.770 3.047 4.576 . 0 0 "[ . 1 . 2]" 3
51 1 47 GLU O 1 51 VAL H 1.500 . 4.000 2.154 1.966 2.297 . 0 0 "[ . 1 . 2]" 3
52 1 47 GLU O 1 51 VAL N 2.500 2.500 6.000 3.084 2.867 3.201 . 0 0 "[ . 1 . 2]" 3
53 1 48 GLN O 1 52 ARG H 1.500 . 4.000 3.034 2.771 3.300 . 0 0 "[ . 1 . 2]" 3
54 1 48 GLN O 1 52 ARG N 2.500 2.500 6.000 3.873 3.598 4.122 . 0 0 "[ . 1 . 2]" 3
55 1 49 ALA O 1 53 GLU H 1.500 . 4.000 2.927 2.808 3.026 . 0 0 "[ . 1 . 2]" 3
56 1 49 ALA O 1 53 GLU N 2.500 2.500 6.000 3.732 3.596 3.848 . 0 0 "[ . 1 . 2]" 3
57 1 50 VAL O 1 54 LEU H 1.500 . 4.000 1.548 1.509 1.625 . 0 0 "[ . 1 . 2]" 3
58 1 50 VAL O 1 54 LEU N 2.500 2.500 6.000 2.484 2.421 2.558 0.079 5 0 "[ . 1 . 2]" 3
59 1 51 VAL O 1 55 GLN H 1.500 . 4.000 2.737 2.663 2.845 . 0 0 "[ . 1 . 2]" 3
60 1 51 VAL O 1 55 GLN N 2.500 2.500 6.000 3.693 3.623 3.789 . 0 0 "[ . 1 . 2]" 3
61 1 52 ARG O 1 56 GLU H 1.500 . 4.000 2.541 2.322 2.779 . 0 0 "[ . 1 . 2]" 3
62 1 52 ARG O 1 56 GLU N 2.500 2.500 6.000 3.322 3.202 3.517 . 0 0 "[ . 1 . 2]" 3
63 1 53 GLU O 1 57 GLU H 1.500 . 4.000 1.669 1.584 1.734 . 0 0 "[ . 1 . 2]" 3
64 1 53 GLU O 1 57 GLU N 2.500 2.500 6.000 2.468 2.436 2.520 0.064 17 0 "[ . 1 . 2]" 3
65 1 54 LEU O 1 58 VAL H 1.500 . 4.000 2.667 2.478 2.849 . 0 0 "[ . 1 . 2]" 3
66 1 54 LEU O 1 58 VAL N 2.500 2.500 6.000 2.988 2.835 3.166 . 0 0 "[ . 1 . 2]" 3
67 1 55 GLN O 1 59 GLY H 1.500 . 4.000 1.865 1.660 2.164 . 0 0 "[ . 1 . 2]" 3
68 1 55 GLN O 1 59 GLY N 2.500 2.500 6.000 2.585 2.486 2.849 0.014 11 0 "[ . 1 . 2]" 3
69 1 119 ASN O 1 123 ILE N 2.500 2.500 6.000 3.529 3.410 3.815 . 0 0 "[ . 1 . 2]" 3
70 1 119 ASN O 1 123 ILE H 1.500 . 4.000 2.584 2.462 2.850 . 0 0 "[ . 1 . 2]" 3
71 1 120 GLU O 1 124 ALA N 2.500 2.500 6.000 2.453 2.412 2.477 0.088 2 0 "[ . 1 . 2]" 3
72 1 120 GLU O 1 124 ALA H 1.500 . 4.000 1.652 1.596 1.681 . 0 0 "[ . 1 . 2]" 3
73 1 121 PRO O 1 125 LYS H 1.500 . 4.000 3.016 2.883 3.118 . 0 0 "[ . 1 . 2]" 3
74 1 121 PRO O 1 125 LYS N 2.500 2.500 6.000 3.953 3.828 4.042 . 0 0 "[ . 1 . 2]" 3
75 1 122 VAL O 1 126 LEU H 1.500 . 4.000 2.785 2.587 3.057 . 0 0 "[ . 1 . 2]" 3
76 1 122 VAL O 1 126 LEU N 2.500 2.500 6.000 3.722 3.530 4.005 . 0 0 "[ . 1 . 2]" 3
77 1 123 ILE O 1 127 LYS H 1.500 . 4.000 1.568 1.518 1.592 . 0 0 "[ . 1 . 2]" 3
78 1 123 ILE O 1 127 LYS N 2.500 2.500 6.000 2.439 2.419 2.455 0.081 4 0 "[ . 1 . 2]" 3
79 1 124 ALA O 1 128 ARG H 1.500 . 4.000 1.952 1.812 2.114 . 0 0 "[ . 1 . 2]" 3
80 1 124 ALA O 1 128 ARG N 2.500 2.500 6.000 2.848 2.709 3.014 . 0 0 "[ . 1 . 2]" 3
81 1 125 LYS O 1 129 LEU H 1.500 . 4.000 3.635 3.530 3.747 . 0 0 "[ . 1 . 2]" 3
82 1 125 LYS O 1 129 LEU N 2.500 2.500 6.000 4.097 3.969 4.239 . 0 0 "[ . 1 . 2]" 3
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