NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
638483 |
6oc9   |
30596 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6oc9
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 338
_Distance_constraint_stats_list.Viol_count 1064
_Distance_constraint_stats_list.Viol_total 7477.820
_Distance_constraint_stats_list.Viol_max 7.635
_Distance_constraint_stats_list.Viol_rms 0.7147
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2212
_Distance_constraint_stats_list.Viol_average_violations_only 0.7028
_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 2 ALA 0.098 0.043 7 0 "[ . 1]"
1 3 GLU 0.400 0.082 3 0 "[ . 1]"
1 9 GLY 1.654 1.167 1 1 "[+ . 1]"
1 12 VAL 88.284 7.556 3 10 [**+-******]
1 17 LEU 10.673 4.107 3 5 "[* +*. * -1]"
1 18 VAL 0.929 0.359 3 0 "[ . 1]"
1 19 PHE 3.646 1.416 7 3 "[ - . + *1]"
1 20 PHE 54.516 7.556 3 10 [**+*****-*]
1 21 ALA 3.140 2.462 7 1 "[ . + 1]"
1 22 GLU 33.386 7.386 3 10 [**+*****-*]
1 23 ASP 2.347 0.892 7 1 "[ . + 1]"
1 24 VAL 2.915 0.715 3 3 "[ + . * -]"
1 25 GLY 0.000 0.000 . 0 "[ . 1]"
1 26 SER 0.073 0.073 2 0 "[ . 1]"
1 27 ASN 3.305 0.845 7 1 "[ . + 1]"
1 28 LYS 2.347 0.892 7 1 "[ . + 1]"
1 30 ALA 1.249 1.190 3 1 "[ + . 1]"
1 31 ILE 1.627 1.345 7 1 "[ . + 1]"
1 32 ILE 3.305 0.845 7 1 "[ . + 1]"
1 33 GLY 6.748 5.135 7 2 "[ - . + 1]"
1 34 LEU 5.061 0.937 3 2 "[ + . * 1]"
1 35 MET 3.867 3.276 7 1 "[ . + 1]"
1 36 VAL 6.114 0.937 3 2 "[ + . * 1]"
1 38 GLY 1.500 1.171 3 1 "[ + . 1]"
1 39 VAL 3.479 1.969 7 2 "[ . + -1]"
2 2 ALA 0.327 0.076 10 0 "[ . 1]"
2 3 GLU 0.377 0.157 7 0 "[ . 1]"
2 9 GLY 4.229 1.185 3 3 "[* +-. 1]"
2 12 VAL 30.018 3.835 4 6 "[* *+. * **]"
2 17 LEU 6.313 3.684 7 1 "[ . + 1]"
2 18 VAL 1.775 0.804 7 2 "[ - . + 1]"
2 19 PHE 9.203 2.061 3 2 "[ + . - 1]"
2 20 PHE 6.723 3.345 3 2 "[ + . * 1]"
2 21 ALA 6.415 3.406 7 2 "[ - . + 1]"
2 22 GLU 23.352 3.835 4 6 "[- *+. * **]"
2 23 ASP 5.445 0.660 10 2 "[ - +]"
2 24 VAL 3.860 0.715 3 3 "[ + . * -]"
2 25 GLY 0.000 0.000 . 0 "[ . 1]"
2 26 SER 0.186 0.074 5 0 "[ . 1]"
2 27 ASN 6.229 1.001 3 7 "[-*+ ** * *]"
2 28 LYS 5.445 0.660 10 2 "[ - +]"
2 30 ALA 2.454 1.190 3 1 "[ + . 1]"
2 31 ILE 2.611 2.199 7 1 "[ . + 1]"
2 32 ILE 6.229 1.001 3 7 "[-*+ ** * *]"
2 33 GLY 6.285 4.463 7 1 "[ . + 1]"
2 34 LEU 10.356 2.462 7 3 "[ - . + *1]"
2 35 MET 1.096 0.701 7 1 "[ . + 1]"
2 36 VAL 5.361 0.952 7 2 "[ - . + 1]"
2 38 GLY 12.694 4.107 3 5 "[* +*. * -1]"
2 39 VAL 4.956 1.077 3 3 "[ + . * -1]"
3 2 ALA 0.498 0.087 3 0 "[ . 1]"
3 3 GLU 0.196 0.094 7 0 "[ . 1]"
3 9 GLY 4.058 1.185 3 3 "[- +*. 1]"
3 12 VAL 12.038 3.174 1 4 "[+ -* * 1]"
3 17 LEU 8.290 4.369 7 2 "[ - . + 1]"
3 18 VAL 5.725 1.806 3 2 "[ + . * 1]"
3 19 PHE 6.088 1.884 7 2 "[ * . + 1]"
3 20 PHE 4.680 1.806 3 1 "[ + . 1]"
3 21 ALA 6.779 3.346 7 2 "[ - . + 1]"
3 22 GLU 10.822 3.174 1 3 "[+ * * 1]"
3 23 ASP 4.162 0.749 7 2 "[ * + 1]"
3 24 VAL 5.273 1.840 7 2 "[ - . + 1]"
3 25 GLY 0.147 0.087 3 0 "[ . 1]"
3 26 SER 0.097 0.054 4 0 "[ . 1]"
3 27 ASN 6.494 2.455 7 6 "[ * *-+ **]"
3 28 LYS 4.162 0.749 7 2 "[ * + 1]"
3 30 ALA 2.144 0.812 3 2 "[ + . - 1]"
3 31 ILE 2.147 1.107 3 2 "[ + . - 1]"
3 32 ILE 6.494 2.455 7 6 "[ * *-+ **]"
3 33 GLY 3.618 1.423 7 1 "[ . + 1]"
3 34 LEU 17.705 3.406 7 4 "[- * * + 1]"
3 35 MET 0.092 0.092 6 0 "[ . 1]"
3 36 VAL 6.505 1.242 3 4 "[- + * * 1]"
3 38 GLY 7.545 3.684 7 1 "[ . + 1]"
3 39 VAL 2.113 1.221 7 1 "[ . + 1]"
4 2 ALA 0.323 0.100 7 0 "[ . 1]"
4 3 GLU 0.252 0.092 8 0 "[ . 1]"
4 9 GLY 6.766 1.307 3 6 "[* +**-* 1]"
4 12 VAL 26.320 4.525 3 9 "[**+**** -*]"
4 17 LEU 7.991 5.325 7 3 "[- * . + 1]"
4 18 VAL 4.039 1.717 3 2 "[ + . - 1]"
4 19 PHE 8.023 1.969 3 2 "[ + . * 1]"
4 20 PHE 9.696 4.525 3 1 "[ + . 1]"
4 21 ALA 4.695 3.338 7 2 "[ - . + 1]"
4 22 GLU 15.574 3.968 3 8 "[**+** * -*]"
4 23 ASP 5.886 1.482 7 2 "[- . + 1]"
4 24 VAL 8.305 1.840 7 3 "[- * . + 1]"
4 25 GLY 0.200 0.100 7 0 "[ . 1]"
4 26 SER 0.000 0.000 . 0 "[ . 1]"
4 27 ASN 9.240 2.869 3 3 "[ + * - 1]"
4 28 LYS 5.886 1.482 7 2 "[- . + 1]"
4 30 ALA 5.691 2.273 3 4 "[* + * - 1]"
4 31 ILE 3.645 1.611 3 3 "[* + - 1]"
4 32 ILE 9.240 2.869 3 3 "[ + * - 1]"
4 33 GLY 2.749 0.550 5 2 "[ - + 1]"
4 34 LEU 13.846 3.346 7 3 "[ - .*+ 1]"
4 35 MET 0.138 0.138 6 0 "[ . 1]"
4 36 VAL 5.998 1.165 3 3 "[ + .** 1]"
4 38 GLY 9.934 4.369 7 2 "[ * . + 1]"
4 39 VAL 0.872 0.310 7 0 "[ . 1]"
5 2 ALA 0.301 0.301 5 0 "[ . 1]"
5 3 GLU 0.061 0.041 1 0 "[ . 1]"
5 9 GLY 5.284 1.307 3 5 "[ +**-* 1]"
5 12 VAL 73.791 7.635 1 8 "[+** *** -*]"
5 18 VAL 3.609 1.208 7 1 "[ . + 1]"
5 20 PHE 35.462 6.946 3 5 "[* + * - *]"
5 21 ALA 0.316 0.203 7 0 "[ . 1]"
5 22 GLU 38.703 7.635 1 8 "[+** *** -*]"
5 23 ASP 3.030 0.524 10 1 "[ . +]"
5 24 VAL 3.962 1.385 7 3 "[- * . + 1]"
5 25 GLY 0.301 0.301 5 0 "[ . 1]"
5 26 SER 0.061 0.041 1 0 "[ . 1]"
5 27 ASN 3.511 1.903 7 2 "[ .-+ 1]"
5 28 LYS 3.030 0.524 10 1 "[ . +]"
5 30 ALA 4.753 2.273 3 3 "[* + - 1]"
5 31 ILE 1.665 1.403 3 1 "[ + . 1]"
5 32 ILE 3.511 1.903 7 2 "[ .-+ 1]"
5 33 GLY 2.383 0.792 3 2 "[ + * 1]"
5 34 LEU 13.046 3.338 7 2 "[ * . + 1]"
5 35 MET 0.196 0.196 3 0 "[ . 1]"
5 36 VAL 1.981 0.589 7 1 "[ . + 1]"
5 38 GLY 8.925 5.325 7 3 "[* * . + 1]"
5 39 VAL 0.627 0.310 7 0 "[ . 1]"
6 2 ALA 0.081 0.036 10 0 "[ . 1]"
6 3 GLU 0.317 0.115 9 0 "[ . 1]"
6 9 GLY 3.404 0.953 1 4 "[+ . ** -]"
6 12 VAL 76.645 5.137 7 10 [******+***]
6 17 LEU 5.727 1.673 7 5 "[ - .*+**1]"
6 18 VAL 0.138 0.070 7 0 "[ . 1]"
6 19 PHE 1.749 0.465 2 0 "[ . 1]"
6 20 PHE 40.005 4.765 8 9 "[****** +-*]"
6 21 ALA 0.950 0.220 10 0 "[ . 1]"
6 22 GLU 35.125 5.137 7 6 "[** * +*-1]"
6 23 ASP 1.669 0.294 6 0 "[ . 1]"
6 24 VAL 3.462 0.927 9 2 "[ -. +1]"
6 25 GLY 0.037 0.026 2 0 "[ . 1]"
6 26 SER 0.115 0.115 9 0 "[ . 1]"
6 27 ASN 3.981 0.674 3 4 "[* + . -*1]"
6 28 LYS 1.669 0.294 6 0 "[ . 1]"
6 30 ALA 0.065 0.045 3 0 "[ . 1]"
6 31 ILE 0.974 0.852 7 1 "[ . + 1]"
6 32 ILE 3.981 0.674 3 4 "[* + . -*1]"
6 33 GLY 3.689 1.969 7 2 "[ . + -]"
6 34 LEU 2.438 0.556 7 2 "[- . + 1]"
6 35 MET 3.867 3.276 7 1 "[ . + 1]"
6 36 VAL 3.135 0.556 7 2 "[- . + 1]"
6 38 GLY 1.724 0.813 10 2 "[ - . +]"
6 39 VAL 7.754 5.135 7 2 "[ - . + 1]"
7 2 ALA 0.243 0.131 8 0 "[ . 1]"
7 3 GLU 0.309 0.241 8 0 "[ . 1]"
7 9 GLY 4.558 1.154 8 4 "[* . *+ -]"
7 12 VAL 26.310 5.025 8 6 "[* *. -+**]"
7 17 LEU 4.553 0.889 7 5 "[*-* . +* 1]"
7 18 VAL 0.083 0.071 8 0 "[ . 1]"
7 19 PHE 0.000 0.000 . 0 "[ . 1]"
7 20 PHE 7.311 3.703 8 2 "[ -. + 1]"
7 21 ALA 0.620 0.203 9 0 "[ . 1]"
7 22 GLU 15.896 5.025 8 5 "[* *. *+ -]"
7 23 ASP 3.521 0.695 1 1 "[+ . 1]"
7 24 VAL 5.642 1.043 3 3 "[ +-. *1]"
7 25 GLY 0.151 0.131 8 0 "[ . 1]"
7 26 SER 0.254 0.241 8 0 "[ . 1]"
7 27 ASN 4.865 0.853 5 5 "[ * +- * *]"
7 28 LYS 3.521 0.695 1 1 "[+ . 1]"
7 30 ALA 0.386 0.211 10 0 "[ . 1]"
7 31 ILE 2.008 1.077 3 2 "[ + . - 1]"
7 32 ILE 4.865 0.853 5 5 "[ * +- * *]"
7 33 GLY 4.177 1.357 10 3 "[ * . - +]"
7 34 LEU 6.373 1.268 9 2 "[ .- +1]"
7 35 MET 1.096 0.701 7 1 "[ . + 1]"
7 36 VAL 5.360 1.268 9 2 "[ .- +1]"
7 38 GLY 7.883 1.673 7 7 "[ *- .*+***]"
7 39 VAL 7.406 4.463 7 1 "[ . + 1]"
8 2 ALA 0.267 0.072 5 0 "[ . 1]"
8 3 GLU 0.061 0.040 8 0 "[ . 1]"
8 9 GLY 3.922 1.386 6 3 "[ .+ *-1]"
8 12 VAL 13.164 2.752 8 5 "[* * . -+ *]"
8 17 LEU 5.591 1.857 7 4 "[ * . +* -]"
8 18 VAL 0.359 0.321 7 0 "[ . 1]"
8 19 PHE 0.000 0.000 . 0 "[ . 1]"
8 20 PHE 5.812 2.219 8 2 "[ . + -]"
8 21 ALA 0.267 0.114 6 0 "[ . 1]"
8 22 GLU 5.853 2.752 8 2 "[ - . + 1]"
8 23 ASP 2.465 0.442 3 0 "[ . 1]"
8 24 VAL 4.418 1.043 3 3 "[ + .-* 1]"
8 25 GLY 0.134 0.072 5 0 "[ . 1]"
8 26 SER 0.021 0.014 8 0 "[ . 1]"
8 27 ASN 5.663 1.082 8 4 "[ * +*-]"
8 28 LYS 2.465 0.442 3 0 "[ . 1]"
8 30 ALA 0.321 0.211 10 0 "[ . 1]"
8 31 ILE 0.000 0.000 . 0 "[ . 1]"
8 32 ILE 5.663 1.082 8 4 "[ * +*-]"
8 33 GLY 2.315 1.221 7 1 "[ . + 1]"
8 34 LEU 5.248 1.100 4 4 "[ *+.-* 1]"
8 35 MET 0.092 0.092 6 0 "[ . 1]"
8 36 VAL 5.984 1.100 4 4 "[ *+.-* 1]"
8 38 GLY 5.561 0.889 7 5 "[*-* . +* 1]"
8 39 VAL 4.012 1.423 7 2 "[ * . + 1]"
9 2 ALA 0.225 0.087 9 0 "[ . 1]"
9 3 GLU 0.255 0.095 3 0 "[ . 1]"
9 9 GLY 7.639 1.388 8 6 "[* .**+-*]"
9 12 VAL 6.956 1.451 6 5 "[* *.+- *1]"
9 17 LEU 2.702 0.624 7 1 "[ . + 1]"
9 18 VAL 0.048 0.038 3 0 "[ . 1]"
9 19 PHE 0.350 0.350 3 0 "[ . 1]"
9 20 PHE 0.038 0.038 3 0 "[ . 1]"
9 21 ALA 1.700 0.503 3 1 "[ + . 1]"
9 22 GLU 3.480 1.451 6 2 "[ .+ -1]"
9 23 ASP 3.904 0.651 3 1 "[ + . 1]"
9 24 VAL 4.101 0.880 7 3 "[ .-+ *1]"
9 25 GLY 0.087 0.087 9 0 "[ . 1]"
9 26 SER 0.028 0.028 2 0 "[ . 1]"
9 27 ASN 5.120 0.803 7 8 "[ ***-*+* *]"
9 28 LYS 3.904 0.651 3 1 "[ + . 1]"
9 30 ALA 1.759 1.415 3 1 "[ + . 1]"
9 31 ILE 0.033 0.033 5 0 "[ . 1]"
9 32 ILE 5.120 0.803 7 8 "[ ***-*+* *]"
9 33 GLY 1.656 0.830 3 1 "[ + . 1]"
9 34 LEU 4.493 0.747 10 4 "[*- . * +]"
9 35 MET 0.138 0.138 6 0 "[ . 1]"
9 36 VAL 5.190 0.747 10 4 "[*- . * +]"
9 38 GLY 7.322 1.857 7 4 "[ - . +* *]"
9 39 VAL 4.343 1.611 3 3 "[* + - 1]"
10 2 ALA 0.087 0.029 7 0 "[ . 1]"
10 3 GLU 0.076 0.030 4 0 "[ . 1]"
10 9 GLY 4.871 1.388 8 5 "[* . *+-*]"
10 12 VAL 43.893 7.401 9 9 "[** ***-*+*]"
10 18 VAL 0.037 0.027 4 0 "[ . 1]"
10 20 PHE 11.866 3.897 6 3 "[ - .+ *1]"
10 21 ALA 0.471 0.235 3 0 "[ . 1]"
10 22 GLU 28.902 7.401 9 8 "[ * ***-*+*]"
10 23 ASP 3.639 0.505 6 1 "[ .+ 1]"
10 24 VAL 1.884 0.807 9 1 "[ . +1]"
10 25 GLY 0.035 0.029 7 0 "[ . 1]"
10 26 SER 0.014 0.014 2 0 "[ . 1]"
10 27 ASN 2.122 0.639 3 1 "[ + . 1]"
10 28 LYS 3.639 0.505 6 1 "[ .+ 1]"
10 30 ALA 1.759 1.415 3 1 "[ + . 1]"
10 31 ILE 0.055 0.055 1 0 "[ . 1]"
10 32 ILE 2.122 0.639 3 1 "[ + . 1]"
10 33 GLY 1.233 0.830 3 1 "[ + . 1]"
10 34 LEU 4.142 0.948 3 1 "[ + . 1]"
10 35 MET 0.196 0.196 3 0 "[ . 1]"
10 36 VAL 3.159 0.948 3 1 "[ + . 1]"
10 38 GLY 3.859 1.033 3 2 "[ + . - 1]"
10 39 VAL 2.881 1.403 3 1 "[ + . 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 18 VAL CG1 1 20 PHE CZ 5.500 3.000 7.000 5.439 4.324 7.359 0.359 3 0 "[ . 1]" 1
2 1 18 VAL CG2 1 20 PHE CZ 5.500 3.000 7.000 5.812 4.697 6.645 . 0 0 "[ . 1]" 1
3 1 18 VAL CA 1 20 PHE CZ 5.500 3.000 7.000 6.588 6.154 7.176 0.176 7 0 "[ . 1]" 1
4 1 18 VAL CB 1 20 PHE CZ 5.500 3.000 7.000 6.063 5.717 6.738 . 0 0 "[ . 1]" 1
5 1 3 GLU CD 1 26 SER CA 5.500 3.000 7.000 6.378 4.504 7.073 0.073 2 0 "[ . 1]" 1
6 1 3 GLU CD 1 24 VAL CG1 5.500 3.000 7.000 6.052 4.868 7.033 0.033 9 0 "[ . 1]" 1
7 1 3 GLU CD 1 24 VAL CG2 5.500 3.000 7.000 6.536 4.216 7.082 0.082 3 0 "[ . 1]" 1
8 1 23 ASP CG 1 28 LYS CG 5.500 3.000 7.000 6.643 4.360 7.892 0.892 7 1 "[ . + 1]" 1
9 1 23 ASP CG 1 28 LYS CD 5.500 3.000 7.000 6.862 4.339 7.272 0.272 7 0 "[ . 1]" 1
10 1 2 ALA C 1 25 GLY CA 5.500 3.000 7.000 6.202 4.175 6.972 . 0 0 "[ . 1]" 1
11 1 34 LEU CB 1 36 VAL CB 5.500 3.000 7.000 7.160 6.917 7.937 0.937 3 2 "[ + . - 1]" 1
12 1 34 LEU CB 1 36 VAL CG1 5.500 3.000 7.000 6.284 5.641 7.884 0.884 3 1 "[ + . 1]" 1
13 1 34 LEU CB 1 36 VAL CG2 5.500 3.000 7.000 7.066 5.684 7.647 0.647 3 1 "[ + . 1]" 1
14 1 27 ASN CB 1 32 ILE CG1 5.500 3.000 7.000 7.218 5.871 7.845 0.845 7 1 "[ . + 1]" 1
15 1 12 VAL CG1 1 22 GLU CG 5.500 3.000 7.000 10.339 8.488 14.386 7.386 3 10 [**+*****-*] 1
16 1 12 VAL C 1 20 PHE CZ 5.500 3.000 7.000 10.067 8.093 14.556 7.556 3 10 [**+*****-*] 1
17 1 12 VAL CB 1 20 PHE CZ 5.500 3.000 7.000 9.315 6.980 12.965 5.965 3 8 "[-*+***** 1]" 1
18 2 18 VAL CG1 2 20 PHE CZ 5.500 3.000 7.000 4.884 3.335 7.804 0.804 7 2 "[ - . + 1]" 1
19 2 18 VAL CG2 2 20 PHE CZ 5.500 3.000 7.000 5.204 3.128 6.404 . 0 0 "[ . 1]" 1
20 2 18 VAL CA 2 20 PHE CZ 5.500 3.000 7.000 5.856 5.004 7.127 0.127 9 0 "[ . 1]" 1
21 2 18 VAL CB 2 20 PHE CZ 5.500 3.000 7.000 5.316 4.208 6.687 . 0 0 "[ . 1]" 1
22 2 3 GLU CD 2 26 SER CA 5.500 3.000 7.000 6.833 6.222 7.074 0.074 5 0 "[ . 1]" 1
23 2 3 GLU CD 2 24 VAL CG1 5.500 3.000 7.000 5.768 4.053 7.157 0.157 7 0 "[ . 1]" 1
24 2 3 GLU CD 2 24 VAL CG2 5.500 3.000 7.000 6.323 4.830 7.034 0.034 4 0 "[ . 1]" 1
25 2 23 ASP CG 2 28 LYS CG 5.500 3.000 7.000 7.278 6.753 7.660 0.660 10 2 "[ - +]" 1
26 2 23 ASP CG 2 28 LYS CD 5.500 3.000 7.000 7.225 6.839 7.496 0.496 5 0 "[ . 1]" 1
27 2 2 ALA C 2 25 GLY CA 5.500 3.000 7.000 6.515 5.510 6.984 . 0 0 "[ . 1]" 1
28 2 34 LEU CB 2 36 VAL CB 5.500 3.000 7.000 7.044 6.840 7.766 0.766 3 1 "[ + . 1]" 1
29 2 34 LEU CB 2 36 VAL CG1 5.500 3.000 7.000 6.453 5.737 7.952 0.952 7 1 "[ . + 1]" 1
30 2 34 LEU CB 2 36 VAL CG2 5.500 3.000 7.000 6.694 5.477 7.509 0.509 3 1 "[ + . 1]" 1
31 2 27 ASN CB 2 32 ILE CG1 5.500 3.000 7.000 7.623 7.228 8.001 1.001 3 7 "[-*+ ** * *]" 1
32 2 12 VAL CG1 2 22 GLU CG 5.500 3.000 7.000 7.170 4.396 10.716 3.716 3 5 "[* +*. * -1]" 1
33 2 12 VAL CG2 2 22 GLU CG 5.500 3.000 7.000 8.111 6.099 10.835 3.835 4 6 "[- *+. * **]" 1
34 2 12 VAL C 2 20 PHE CZ 5.500 3.000 7.000 6.164 3.174 8.458 1.458 3 1 "[ + . 1]" 1
35 2 12 VAL CB 2 20 PHE CZ 5.500 3.000 7.000 5.284 3.787 10.345 3.345 3 1 "[ + . 1]" 1
36 3 18 VAL CG1 3 20 PHE CZ 5.500 3.000 7.000 4.774 3.185 6.647 . 0 0 "[ . 1]" 1
37 3 18 VAL CG2 3 20 PHE CZ 5.500 3.000 7.000 4.942 3.451 8.450 1.450 3 1 "[ + . 1]" 1
38 3 18 VAL CA 3 20 PHE CZ 5.500 3.000 7.000 6.171 5.290 8.806 1.806 3 1 "[ + . 1]" 1
39 3 18 VAL CB 3 20 PHE CZ 5.500 3.000 7.000 5.386 4.404 8.127 1.127 3 1 "[ + . 1]" 1
40 3 3 GLU CD 3 26 SER CA 5.500 3.000 7.000 6.698 4.915 7.054 0.054 4 0 "[ . 1]" 1
41 3 3 GLU CD 3 24 VAL CG1 5.500 3.000 7.000 6.189 5.168 7.094 0.094 7 0 "[ . 1]" 1
42 3 3 GLU CD 3 24 VAL CG2 5.500 3.000 7.000 6.015 3.730 7.006 0.006 10 0 "[ . 1]" 1
43 3 23 ASP CG 3 28 LYS CG 5.500 3.000 7.000 7.265 7.006 7.749 0.749 7 2 "[ - + 1]" 1
44 3 23 ASP CG 3 28 LYS CD 5.500 3.000 7.000 6.993 5.831 7.708 0.708 7 1 "[ . + 1]" 1
45 3 2 ALA C 3 25 GLY CA 5.500 3.000 7.000 6.696 5.666 7.087 0.087 3 0 "[ . 1]" 1
46 3 34 LEU CB 3 36 VAL CB 5.500 3.000 7.000 6.970 6.828 7.086 0.086 7 0 "[ . 1]" 1
47 3 34 LEU CB 3 36 VAL CG1 5.500 3.000 7.000 6.448 5.498 7.873 0.873 7 2 "[- . + 1]" 1
48 3 34 LEU CB 3 36 VAL CG2 5.500 3.000 7.000 7.021 5.675 8.242 1.242 3 3 "[- + * 1]" 1
49 3 27 ASN CB 3 32 ILE CG1 5.500 3.000 7.000 7.565 6.245 9.455 2.455 7 6 "[ * *-+ **]" 1
50 3 12 VAL CG1 3 22 GLU CG 5.500 3.000 7.000 5.895 4.161 9.482 2.482 7 2 "[- . + 1]" 1
51 3 12 VAL CG2 3 22 GLU CG 5.500 3.000 7.000 6.571 2.992 10.174 3.174 1 3 "[+ - * 1]" 1
52 3 12 VAL C 3 20 PHE CZ 5.500 3.000 7.000 5.844 4.349 7.271 0.271 5 0 "[ . 1]" 1
53 3 12 VAL CB 3 20 PHE CZ 5.500 3.000 7.000 4.571 3.911 6.034 . 0 0 "[ . 1]" 1
54 4 18 VAL CG1 4 20 PHE CZ 5.500 3.000 7.000 5.319 4.183 6.889 . 0 0 "[ . 1]" 1
55 4 18 VAL CG2 4 20 PHE CZ 5.500 3.000 7.000 4.895 3.183 8.717 1.717 3 1 "[ + . 1]" 1
56 4 18 VAL CA 4 20 PHE CZ 5.500 3.000 7.000 5.859 4.683 6.541 . 0 0 "[ . 1]" 1
57 4 18 VAL CB 4 20 PHE CZ 5.500 3.000 7.000 5.156 3.806 7.243 0.243 3 0 "[ . 1]" 1
58 4 3 GLU CD 4 26 SER CA 5.500 3.000 7.000 6.308 3.854 6.961 . 0 0 "[ . 1]" 1
59 4 3 GLU CD 4 24 VAL CG1 5.500 3.000 7.000 5.882 3.831 7.055 0.055 1 0 "[ . 1]" 1
60 4 3 GLU CD 4 24 VAL CG2 5.500 3.000 7.000 6.362 4.680 7.092 0.092 8 0 "[ . 1]" 1
61 4 23 ASP CG 4 28 LYS CG 5.500 3.000 7.000 7.435 7.021 8.482 1.482 7 2 "[- . + 1]" 1
62 4 23 ASP CG 4 28 LYS CD 5.500 3.000 7.000 7.009 6.127 8.031 1.031 7 1 "[ . + 1]" 1
63 4 2 ALA C 4 25 GLY CA 5.500 3.000 7.000 6.722 5.887 7.100 0.100 7 0 "[ . 1]" 1
64 4 34 LEU CB 4 36 VAL CB 5.500 3.000 7.000 7.063 6.905 7.431 0.431 5 0 "[ . 1]" 1
65 4 34 LEU CB 4 36 VAL CG1 5.500 3.000 7.000 6.576 5.902 7.781 0.781 6 3 "[ - .+* 1]" 1
66 4 34 LEU CB 4 36 VAL CG2 5.500 3.000 7.000 6.807 5.524 8.165 1.165 3 1 "[ + . 1]" 1
67 4 27 ASN CB 4 32 ILE CG1 5.500 3.000 7.000 7.924 7.213 9.869 2.869 3 3 "[ + * - 1]" 1
68 4 12 VAL CG1 4 22 GLU CG 5.500 3.000 7.000 6.939 4.618 9.855 2.855 3 4 "[* + . * -]" 1
69 4 12 VAL CG2 4 22 GLU CG 5.500 3.000 7.000 7.488 5.189 10.968 3.968 3 6 "[ *+** * -1]" 1
70 4 12 VAL C 4 20 PHE CZ 5.500 3.000 7.000 6.624 4.351 11.525 4.525 3 1 "[ + . 1]" 1
71 4 12 VAL CB 4 20 PHE CZ 5.500 3.000 7.000 4.980 3.722 10.083 3.083 3 1 "[ + . 1]" 1
72 5 18 VAL CG1 5 20 PHE CZ 5.500 3.000 7.000 5.834 4.709 7.700 0.700 7 1 "[ . + 1]" 1
73 5 18 VAL CG2 5 20 PHE CZ 5.500 3.000 7.000 4.803 3.219 8.208 1.208 7 1 "[ . + 1]" 1
74 5 18 VAL CA 5 20 PHE CZ 5.500 3.000 7.000 5.517 4.091 7.436 0.436 8 0 "[ . 1]" 1
75 5 18 VAL CB 5 20 PHE CZ 5.500 3.000 7.000 5.132 3.552 7.503 0.503 7 1 "[ . + 1]" 1
76 5 3 GLU CD 5 26 SER CA 5.500 3.000 7.000 6.470 5.486 7.041 0.041 1 0 "[ . 1]" 1
77 5 3 GLU CD 5 24 VAL CG1 5.500 3.000 7.000 6.359 4.992 6.898 . 0 0 "[ . 1]" 1
78 5 3 GLU CD 5 24 VAL CG2 5.500 3.000 7.000 5.692 4.530 6.995 . 0 0 "[ . 1]" 1
79 5 23 ASP CG 5 28 LYS CG 5.500 3.000 7.000 7.208 6.456 7.524 0.524 10 1 "[ . +]" 1
80 5 23 ASP CG 5 28 LYS CD 5.500 3.000 7.000 6.856 6.470 7.185 0.185 4 0 "[ . 1]" 1
81 5 2 ALA C 5 25 GLY CA 5.500 3.000 7.000 6.607 5.782 7.301 0.301 5 0 "[ . 1]" 1
82 5 34 LEU CB 5 36 VAL CB 5.500 3.000 7.000 6.905 6.596 7.108 0.108 9 0 "[ . 1]" 1
83 5 34 LEU CB 5 36 VAL CG1 5.500 3.000 7.000 6.629 6.072 7.589 0.589 7 1 "[ . + 1]" 1
84 5 34 LEU CB 5 36 VAL CG2 5.500 3.000 7.000 6.151 5.254 6.945 . 0 0 "[ . 1]" 1
85 5 27 ASN CB 5 32 ILE CG1 5.500 3.000 7.000 7.093 4.931 8.903 1.903 7 2 "[ .-+ 1]" 1
86 5 12 VAL CG1 5 22 GLU CG 5.500 3.000 7.000 10.821 6.657 14.635 7.635 1 8 "[+** *** -*]" 1
87 5 12 VAL C 5 20 PHE CZ 5.500 3.000 7.000 7.994 4.491 13.467 6.467 3 3 "[* + . - 1]" 1
88 5 12 VAL CB 5 20 PHE CZ 5.500 3.000 7.000 7.753 4.011 13.946 6.946 3 5 "[* + * * -]" 1
89 6 18 VAL CG1 6 20 PHE CZ 5.500 3.000 7.000 5.452 4.708 7.070 0.070 7 0 "[ . 1]" 1
90 6 18 VAL CG2 6 20 PHE CZ 5.500 3.000 7.000 4.836 3.773 6.681 . 0 0 "[ . 1]" 1
91 6 18 VAL CA 6 20 PHE CZ 5.500 3.000 7.000 6.429 5.573 7.068 0.068 8 0 "[ . 1]" 1
92 6 18 VAL CB 6 20 PHE CZ 5.500 3.000 7.000 5.509 4.295 6.161 . 0 0 "[ . 1]" 1
93 6 3 GLU CD 6 26 SER CA 5.500 3.000 7.000 6.498 5.375 7.115 0.115 9 0 "[ . 1]" 1
94 6 3 GLU CD 6 24 VAL CG1 5.500 3.000 7.000 6.230 4.940 7.103 0.103 4 0 "[ . 1]" 1
95 6 3 GLU CD 6 24 VAL CG2 5.500 3.000 7.000 5.963 4.393 7.028 0.028 5 0 "[ . 1]" 1
96 6 23 ASP CG 6 28 LYS CG 5.500 3.000 7.000 6.831 5.769 7.286 0.286 5 0 "[ . 1]" 1
97 6 23 ASP CG 6 28 LYS CD 5.500 3.000 7.000 6.914 6.073 7.294 0.294 6 0 "[ . 1]" 1
98 6 2 ALA C 6 25 GLY CA 5.500 3.000 7.000 6.209 4.796 7.026 0.026 2 0 "[ . 1]" 1
99 6 34 LEU CB 6 36 VAL CB 5.500 3.000 7.000 7.088 6.857 7.556 0.556 7 1 "[ . + 1]" 1
100 6 34 LEU CB 6 36 VAL CG1 5.500 3.000 7.000 6.299 5.697 7.043 0.043 3 0 "[ . 1]" 1
101 6 34 LEU CB 6 36 VAL CG2 5.500 3.000 7.000 6.868 5.800 7.517 0.517 1 1 "[+ . 1]" 1
102 6 27 ASN CB 6 32 ILE CG1 5.500 3.000 7.000 7.398 7.103 7.674 0.674 3 4 "[* + . -*1]" 1
103 6 12 VAL CG1 6 22 GLU CG 5.500 3.000 7.000 8.019 3.387 12.137 5.137 7 6 "[** * +*-1]" 1
104 6 12 VAL CG2 6 22 GLU CG 5.500 3.000 7.000 7.971 4.076 11.913 4.913 7 6 "[*- * +**1]" 1
105 6 12 VAL C 6 20 PHE CZ 5.500 3.000 7.000 9.342 7.424 11.315 4.315 8 9 "[*****- +**]" 1
106 6 12 VAL CB 6 20 PHE CZ 5.500 3.000 7.000 8.609 6.788 11.765 4.765 8 6 "[* **. +-*]" 1
107 7 18 VAL CG1 7 20 PHE CZ 5.500 3.000 7.000 4.642 3.150 5.586 . 0 0 "[ . 1]" 1
108 7 18 VAL CG2 7 20 PHE CZ 5.500 3.000 7.000 5.137 3.433 7.012 0.012 9 0 "[ . 1]" 1
109 7 18 VAL CA 7 20 PHE CZ 5.500 3.000 7.000 6.084 4.766 7.071 0.071 8 0 "[ . 1]" 1
110 7 18 VAL CB 7 20 PHE CZ 5.500 3.000 7.000 5.256 4.183 6.069 . 0 0 "[ . 1]" 1
111 7 3 GLU CD 7 26 SER CA 5.500 3.000 7.000 6.640 4.491 7.241 0.241 8 0 "[ . 1]" 1
112 7 3 GLU CD 7 24 VAL CG1 5.500 3.000 7.000 6.455 4.757 7.034 0.034 1 0 "[ . 1]" 1
113 7 3 GLU CD 7 24 VAL CG2 5.500 3.000 7.000 5.994 4.316 7.003 0.003 6 0 "[ . 1]" 1
114 7 23 ASP CG 7 28 LYS CG 5.500 3.000 7.000 7.217 6.534 7.695 0.695 1 1 "[+ . 1]" 1
115 7 23 ASP CG 7 28 LYS CD 5.500 3.000 7.000 6.827 5.181 7.323 0.323 5 0 "[ . 1]" 1
116 7 2 ALA C 7 25 GLY CA 5.500 3.000 7.000 6.689 6.179 7.131 0.131 8 0 "[ . 1]" 1
117 7 34 LEU CB 7 36 VAL CB 5.500 3.000 7.000 7.004 6.747 7.114 0.114 1 0 "[ . 1]" 1
118 7 34 LEU CB 7 36 VAL CG1 5.500 3.000 7.000 6.605 5.728 8.121 1.121 6 1 "[ .+ 1]" 1
119 7 34 LEU CB 7 36 VAL CG2 5.500 3.000 7.000 6.751 5.694 8.268 1.268 9 1 "[ . +1]" 1
120 7 27 ASN CB 7 32 ILE CG1 5.500 3.000 7.000 7.486 7.261 7.853 0.853 5 5 "[ * +- * *]" 1
121 7 12 VAL CG1 7 22 GLU CG 5.500 3.000 7.000 6.948 3.517 12.025 5.025 8 5 "[* *. *+ -]" 1
122 7 12 VAL CG2 7 22 GLU CG 5.500 3.000 7.000 6.851 5.290 10.142 3.142 8 2 "[ -. + 1]" 1
123 7 12 VAL C 7 20 PHE CZ 5.500 3.000 7.000 6.694 5.464 9.273 2.273 8 2 "[ -. + 1]" 1
124 7 12 VAL CB 7 20 PHE CZ 5.500 3.000 7.000 5.253 3.541 10.703 3.703 8 1 "[ . + 1]" 1
125 8 18 VAL CG1 8 20 PHE CZ 5.500 3.000 7.000 4.206 2.983 5.171 0.017 9 0 "[ . 1]" 1
126 8 18 VAL CG2 8 20 PHE CZ 5.500 3.000 7.000 4.827 3.141 7.021 0.021 7 0 "[ . 1]" 1
127 8 18 VAL CA 8 20 PHE CZ 5.500 3.000 7.000 5.691 4.655 7.321 0.321 7 0 "[ . 1]" 1
128 8 18 VAL CB 8 20 PHE CZ 5.500 3.000 7.000 4.831 3.392 6.578 . 0 0 "[ . 1]" 1
129 8 3 GLU CD 8 26 SER CA 5.500 3.000 7.000 6.748 5.732 7.014 0.014 8 0 "[ . 1]" 1
130 8 3 GLU CD 8 24 VAL CG1 5.500 3.000 7.000 5.864 4.454 6.868 . 0 0 "[ . 1]" 1
131 8 3 GLU CD 8 24 VAL CG2 5.500 3.000 7.000 5.571 3.912 7.040 0.040 8 0 "[ . 1]" 1
132 8 23 ASP CG 8 28 LYS CG 5.500 3.000 7.000 7.086 6.705 7.361 0.361 3 0 "[ . 1]" 1
133 8 23 ASP CG 8 28 LYS CD 5.500 3.000 7.000 6.962 5.500 7.442 0.442 3 0 "[ . 1]" 1
134 8 2 ALA C 8 25 GLY CA 5.500 3.000 7.000 6.710 6.141 7.072 0.072 5 0 "[ . 1]" 1
135 8 34 LEU CB 8 36 VAL CB 5.500 3.000 7.000 6.925 6.748 7.003 0.003 10 0 "[ . 1]" 1
136 8 34 LEU CB 8 36 VAL CG1 5.500 3.000 7.000 6.508 5.549 8.061 1.061 7 2 "[ - . + 1]" 1
137 8 34 LEU CB 8 36 VAL CG2 5.500 3.000 7.000 6.921 5.620 8.100 1.100 4 3 "[ *+.- 1]" 1
138 8 27 ASN CB 8 32 ILE CG1 5.500 3.000 7.000 7.566 7.164 8.082 1.082 8 4 "[ * +*-]" 1
139 8 12 VAL CG1 8 22 GLU CG 5.500 3.000 7.000 5.710 3.840 9.752 2.752 8 1 "[ . + 1]" 1
140 8 12 VAL CG2 8 22 GLU CG 5.500 3.000 7.000 6.124 3.900 8.873 1.873 8 2 "[ - . + 1]" 1
141 8 12 VAL C 8 20 PHE CZ 5.500 3.000 7.000 6.474 5.376 9.219 2.219 8 2 "[ . + -]" 1
142 8 12 VAL CB 8 20 PHE CZ 5.500 3.000 7.000 4.807 3.266 8.821 1.821 8 1 "[ . + 1]" 1
143 9 18 VAL CG1 9 20 PHE CZ 5.500 3.000 7.000 4.386 2.962 4.901 0.038 3 0 "[ . 1]" 1
144 9 18 VAL CG2 9 20 PHE CZ 5.500 3.000 7.000 4.809 3.075 6.441 . 0 0 "[ . 1]" 1
145 9 18 VAL CA 9 20 PHE CZ 5.500 3.000 7.000 5.688 5.035 6.321 . 0 0 "[ . 1]" 1
146 9 18 VAL CB 9 20 PHE CZ 5.500 3.000 7.000 4.871 4.386 5.510 . 0 0 "[ . 1]" 1
147 9 3 GLU CD 9 26 SER CA 5.500 3.000 7.000 6.805 6.399 7.028 0.028 2 0 "[ . 1]" 1
148 9 3 GLU CD 9 24 VAL CG1 5.500 3.000 7.000 5.658 4.355 6.995 . 0 0 "[ . 1]" 1
149 9 3 GLU CD 9 24 VAL CG2 5.500 3.000 7.000 6.117 4.171 7.095 0.095 3 0 "[ . 1]" 1
150 9 23 ASP CG 9 28 LYS CG 5.500 3.000 7.000 7.348 7.146 7.651 0.651 3 1 "[ + . 1]" 1
151 9 23 ASP CG 9 28 LYS CD 5.500 3.000 7.000 6.891 5.938 7.209 0.209 6 0 "[ . 1]" 1
152 9 2 ALA C 9 25 GLY CA 5.500 3.000 7.000 6.495 5.695 7.087 0.087 9 0 "[ . 1]" 1
153 9 34 LEU CB 9 36 VAL CB 5.500 3.000 7.000 7.009 6.771 7.430 0.430 3 0 "[ . 1]" 1
154 9 34 LEU CB 9 36 VAL CG1 5.500 3.000 7.000 6.706 5.764 7.747 0.747 10 4 "[*- . * +]" 1
155 9 34 LEU CB 9 36 VAL CG2 5.500 3.000 7.000 6.611 5.317 7.628 0.628 10 1 "[ . +]" 1
156 9 27 ASN CB 9 32 ILE CG1 5.500 3.000 7.000 7.211 3.989 7.803 0.803 7 8 "[ ***-*+* *]" 1
157 9 12 VAL CG1 9 22 GLU CG 5.500 3.000 7.000 6.141 3.589 8.451 1.451 6 2 "[ .+ -1]" 1
158 9 12 VAL CG2 9 22 GLU CG 5.500 3.000 7.000 5.983 4.328 7.400 0.400 4 0 "[ . 1]" 1
159 9 12 VAL C 9 20 PHE CZ 5.500 3.000 7.000 5.961 4.631 6.653 . 0 0 "[ . 1]" 1
160 9 12 VAL CB 9 20 PHE CZ 5.500 3.000 7.000 4.397 3.618 5.831 . 0 0 "[ . 1]" 1
161 10 18 VAL CG1 10 20 PHE CZ 5.500 3.000 7.000 5.542 3.359 7.027 0.027 4 0 "[ . 1]" 1
162 10 18 VAL CG2 10 20 PHE CZ 5.500 3.000 7.000 4.757 3.541 5.627 . 0 0 "[ . 1]" 1
163 10 18 VAL CA 10 20 PHE CZ 5.500 3.000 7.000 5.667 4.402 6.553 . 0 0 "[ . 1]" 1
164 10 18 VAL CB 10 20 PHE CZ 5.500 3.000 7.000 4.955 3.505 5.865 . 0 0 "[ . 1]" 1
165 10 3 GLU CD 10 26 SER CA 5.500 3.000 7.000 6.120 4.500 7.014 0.014 2 0 "[ . 1]" 1
166 10 3 GLU CD 10 24 VAL CG1 5.500 3.000 7.000 6.484 5.647 7.030 0.030 4 0 "[ . 1]" 1
167 10 3 GLU CD 10 24 VAL CG2 5.500 3.000 7.000 5.392 4.341 7.004 0.004 4 0 "[ . 1]" 1
168 10 23 ASP CG 10 28 LYS CG 5.500 3.000 7.000 7.296 6.812 7.505 0.505 6 1 "[ .+ 1]" 1
169 10 23 ASP CG 10 28 LYS CD 5.500 3.000 7.000 6.851 6.282 7.188 0.188 1 0 "[ . 1]" 1
170 10 2 ALA C 10 25 GLY CA 5.500 3.000 7.000 6.170 5.090 7.029 0.029 7 0 "[ . 1]" 1
171 10 34 LEU CB 10 36 VAL CB 5.500 3.000 7.000 7.082 6.884 7.948 0.948 3 1 "[ + . 1]" 1
172 10 34 LEU CB 10 36 VAL CG1 5.500 3.000 7.000 6.667 6.034 7.451 0.451 3 0 "[ . 1]" 1
173 10 34 LEU CB 10 36 VAL CG2 5.500 3.000 7.000 6.406 5.566 7.408 0.408 3 0 "[ . 1]" 1
174 10 27 ASN CB 10 32 ILE CG1 5.500 3.000 7.000 7.053 5.605 7.639 0.639 3 1 "[ + . 1]" 1
175 10 12 VAL CG1 10 22 GLU CG 5.500 3.000 7.000 9.674 4.839 14.401 7.401 9 8 "[ * ***-*+*]" 1
176 10 12 VAL C 10 20 PHE CZ 5.500 3.000 7.000 6.400 4.502 9.392 2.392 6 2 "[ .+ -1]" 1
177 10 12 VAL CB 10 20 PHE CZ 5.500 3.000 7.000 5.917 3.678 10.897 3.897 6 3 "[ - .+ *1]" 1
178 1 19 PHE CZ 2 34 LEU CG 5.500 3.000 7.000 5.953 5.341 6.983 . 0 0 "[ . 1]" 1
179 1 19 PHE CZ 2 34 LEU CD1 5.500 3.000 7.000 5.608 4.701 6.825 . 0 0 "[ . 1]" 1
180 1 19 PHE CZ 2 34 LEU CD2 5.500 3.000 7.000 6.361 5.601 7.129 0.129 3 0 "[ . 1]" 1
181 1 19 PHE CZ 2 34 LEU CB 5.500 3.000 7.000 7.181 6.565 8.416 1.416 7 3 "[ - . + *1]" 1
182 2 19 PHE CZ 3 34 LEU CG 5.500 3.000 7.000 5.365 3.911 8.000 1.000 3 1 "[ + . 1]" 1
183 2 19 PHE CZ 3 34 LEU CD1 5.500 3.000 7.000 5.624 3.829 8.365 1.365 3 2 "[ + . - 1]" 1
184 2 19 PHE CZ 3 34 LEU CD2 5.500 3.000 7.000 5.608 3.667 8.345 1.345 3 2 "[ + . - 1]" 1
185 2 19 PHE CZ 3 34 LEU CB 5.500 3.000 7.000 5.199 3.231 9.061 2.061 3 2 "[ + . - 1]" 1
186 3 19 PHE CZ 4 34 LEU CG 5.500 3.000 7.000 5.217 3.766 7.737 0.737 7 1 "[ . + 1]" 1
187 3 19 PHE CZ 4 34 LEU CD1 5.500 3.000 7.000 5.394 3.309 7.946 0.946 7 1 "[ . + 1]" 1
188 3 19 PHE CZ 4 34 LEU CD2 5.500 3.000 7.000 5.277 3.767 8.122 1.122 7 1 "[ . + 1]" 1
189 3 19 PHE CZ 4 34 LEU CB 5.500 3.000 7.000 5.230 3.510 8.884 1.884 7 2 "[ - . + 1]" 1
190 4 19 PHE CZ 5 34 LEU CG 5.500 3.000 7.000 5.782 4.592 8.314 1.314 3 1 "[ + . 1]" 1
191 4 19 PHE CZ 5 34 LEU CD1 5.500 3.000 7.000 5.390 4.395 7.251 0.251 7 0 "[ . 1]" 1
192 4 19 PHE CZ 5 34 LEU CD2 5.500 3.000 7.000 5.522 4.198 8.666 1.666 7 2 "[ - . + 1]" 1
193 4 19 PHE CZ 5 34 LEU CB 5.500 3.000 7.000 5.911 4.287 8.969 1.969 3 2 "[ + . - 1]" 1
194 6 19 PHE CZ 7 34 LEU CG 5.500 3.000 7.000 5.789 4.574 7.000 . 0 0 "[ . 1]" 1
195 6 19 PHE CZ 7 34 LEU CD1 5.500 3.000 7.000 5.653 4.441 7.308 0.308 7 0 "[ . 1]" 1
196 6 19 PHE CZ 7 34 LEU CD2 5.500 3.000 7.000 6.196 4.366 7.424 0.424 5 0 "[ . 1]" 1
197 6 19 PHE CZ 7 34 LEU CB 5.500 3.000 7.000 6.249 4.139 7.465 0.465 2 0 "[ . 1]" 1
198 7 19 PHE CZ 8 34 LEU CG 5.500 3.000 7.000 4.955 3.910 6.174 . 0 0 "[ . 1]" 1
199 7 19 PHE CZ 8 34 LEU CD1 5.500 3.000 7.000 5.055 3.822 6.744 . 0 0 "[ . 1]" 1
200 7 19 PHE CZ 8 34 LEU CD2 5.500 3.000 7.000 5.233 3.645 6.472 . 0 0 "[ . 1]" 1
201 7 19 PHE CZ 8 34 LEU CB 5.500 3.000 7.000 4.123 3.240 5.579 . 0 0 "[ . 1]" 1
202 8 19 PHE CZ 9 34 LEU CG 5.500 3.000 7.000 4.760 4.491 4.992 . 0 0 "[ . 1]" 1
203 8 19 PHE CZ 9 34 LEU CD1 5.500 3.000 7.000 5.209 3.899 5.729 . 0 0 "[ . 1]" 1
204 8 19 PHE CZ 9 34 LEU CD2 5.500 3.000 7.000 5.000 4.479 6.326 . 0 0 "[ . 1]" 1
205 8 19 PHE CZ 9 34 LEU CB 5.500 3.000 7.000 3.866 3.418 5.204 . 0 0 "[ . 1]" 1
206 9 19 PHE CZ 10 34 LEU CG 5.500 3.000 7.000 4.968 3.972 6.322 . 0 0 "[ . 1]" 1
207 9 19 PHE CZ 10 34 LEU CD1 5.500 3.000 7.000 4.821 3.980 6.644 . 0 0 "[ . 1]" 1
208 9 19 PHE CZ 10 34 LEU CD2 5.500 3.000 7.000 4.839 3.991 7.350 0.350 3 0 "[ . 1]" 1
209 9 19 PHE CZ 10 34 LEU CB 5.500 3.000 7.000 4.962 3.997 6.856 . 0 0 "[ . 1]" 1
210 1 21 ALA CB 2 34 LEU CG 5.500 3.000 7.000 5.022 3.616 9.462 2.462 7 1 "[ . + 1]" 1
211 2 21 ALA CB 3 34 LEU CG 5.500 3.000 7.000 5.512 3.491 10.406 3.406 7 1 "[ . + 1]" 1
212 3 21 ALA CB 4 34 LEU CG 5.500 3.000 7.000 6.675 4.985 10.346 3.346 7 1 "[ . + 1]" 1
213 4 21 ALA CB 5 34 LEU CG 5.500 3.000 7.000 7.068 5.960 10.338 3.338 7 1 "[ . + 1]" 1
214 6 21 ALA CB 7 34 LEU CG 5.500 3.000 7.000 5.045 3.456 7.220 0.220 10 0 "[ . 1]" 1
215 7 21 ALA CB 8 34 LEU CG 5.500 3.000 7.000 5.488 4.506 6.222 . 0 0 "[ . 1]" 1
216 8 21 ALA CB 9 34 LEU CG 5.500 3.000 7.000 5.872 4.774 6.648 . 0 0 "[ . 1]" 1
217 9 21 ALA CB 10 34 LEU CG 5.500 3.000 7.000 6.727 5.703 7.503 0.503 3 1 "[ + . 1]" 1
218 1 17 LEU CB 2 38 GLY CA 5.500 3.000 7.000 8.067 7.142 11.107 4.107 3 5 "[* +*. * -1]" 1
219 2 17 LEU CB 3 38 GLY CA 5.500 3.000 7.000 7.612 6.808 10.684 3.684 7 1 "[ . + 1]" 1
220 3 17 LEU CB 4 38 GLY CA 5.500 3.000 7.000 7.829 7.079 11.369 4.369 7 2 "[ - . + 1]" 1
221 4 17 LEU CB 5 38 GLY CA 5.500 3.000 7.000 7.799 7.028 12.325 5.325 7 3 "[- * . + 1]" 1
222 6 17 LEU CB 7 38 GLY CA 5.500 3.000 7.000 7.573 7.093 8.673 1.673 7 5 "[ - .*+**1]" 1
223 7 17 LEU CB 8 38 GLY CA 5.500 3.000 7.000 7.455 7.065 7.889 0.889 7 5 "[*-* . +* 1]" 1
224 8 17 LEU CB 9 38 GLY CA 5.500 3.000 7.000 7.559 7.042 8.857 1.857 7 4 "[ * . +* -]" 1
225 9 17 LEU CB 10 38 GLY CA 5.500 3.000 7.000 7.270 7.013 7.624 0.624 7 1 "[ . + 1]" 1
226 1 2 ALA CB 2 2 ALA CB 7.000 6.500 7.200 6.983 6.476 7.243 0.043 7 0 "[ . 1]" 1
227 2 2 ALA CB 3 2 ALA CB 7.000 6.500 7.200 6.957 6.456 7.276 0.076 10 0 "[ . 1]" 1
228 3 2 ALA CB 4 2 ALA CB 7.000 6.500 7.200 7.045 6.471 7.240 0.040 10 0 "[ . 1]" 1
229 4 2 ALA CB 5 2 ALA CB 7.000 6.500 7.200 6.957 6.509 7.188 . 0 0 "[ . 1]" 1
230 6 2 ALA CB 7 2 ALA CB 7.000 6.500 7.200 7.018 6.638 7.236 0.036 10 0 "[ . 1]" 1
231 7 2 ALA CB 8 2 ALA CB 7.000 6.500 7.200 6.859 6.551 7.248 0.048 1 0 "[ . 1]" 1
232 8 2 ALA CB 9 2 ALA CB 7.000 6.500 7.200 6.922 6.475 7.250 0.050 1 0 "[ . 1]" 1
233 9 2 ALA CB 10 2 ALA CB 7.000 6.500 7.200 6.953 6.488 7.222 0.022 1 0 "[ . 1]" 1
234 1 9 GLY CA 2 9 GLY CA 5.300 4.700 5.500 4.917 3.533 5.772 1.167 1 1 "[+ . 1]" 1
235 2 9 GLY CA 3 9 GLY CA 5.300 4.700 5.500 4.923 3.515 5.741 1.185 3 2 "[ +-. 1]" 1
236 3 9 GLY CA 4 9 GLY CA 5.300 4.700 5.500 5.171 3.638 5.711 1.062 1 1 "[+ . 1]" 1
237 4 9 GLY CA 5 9 GLY CA 5.300 4.700 5.500 4.554 3.393 6.317 1.307 3 5 "[ +**-* 1]" 1
238 1 12 VAL C 2 12 VAL C 5.300 4.700 5.500 4.928 4.170 5.364 0.530 1 2 "[+ -. 1]" 1
239 2 12 VAL C 3 12 VAL C 5.300 4.700 5.500 4.995 4.292 5.249 0.408 1 0 "[ . 1]" 1
240 3 12 VAL C 4 12 VAL C 5.300 4.700 5.500 5.063 4.163 5.475 0.537 4 1 "[ +. 1]" 1
241 4 12 VAL C 5 12 VAL C 5.300 4.700 5.500 4.699 3.603 5.594 1.097 7 2 "[ .-+ 1]" 1
242 1 18 VAL C 2 18 VAL C 5.300 4.700 5.500 5.025 4.446 5.146 0.254 3 0 "[ . 1]" 1
243 2 18 VAL C 3 18 VAL C 5.300 4.700 5.500 5.141 5.051 5.301 . 0 0 "[ . 1]" 1
244 3 18 VAL C 4 18 VAL C 5.300 4.700 5.500 5.256 4.830 6.817 1.317 7 1 "[ . + 1]" 1
245 4 18 VAL C 5 18 VAL C 5.300 4.700 5.500 4.916 3.938 5.257 0.762 7 1 "[ . + 1]" 1
246 1 21 ALA CB 2 21 ALA CB 5.300 4.700 5.500 4.818 4.474 5.325 0.226 5 0 "[ . 1]" 1
247 2 21 ALA CB 3 21 ALA CB 5.300 4.700 5.500 5.355 4.668 7.836 2.336 3 1 "[ + . 1]" 1
248 3 21 ALA CB 4 21 ALA CB 5.300 4.700 5.500 5.000 4.120 5.374 0.580 3 1 "[ + . 1]" 1
249 4 21 ALA CB 5 21 ALA CB 5.300 4.700 5.500 4.905 4.497 5.321 0.203 7 0 "[ . 1]" 1
250 1 24 VAL C 2 24 VAL C 5.300 4.700 5.500 5.751 5.437 6.215 0.715 3 3 "[ + . * -]" 1
251 2 24 VAL C 3 24 VAL C 5.300 4.700 5.500 5.478 4.762 5.928 0.428 7 0 "[ . 1]" 1
252 3 24 VAL C 4 24 VAL C 5.300 4.700 5.500 5.787 4.641 7.340 1.840 7 2 "[ - . + 1]" 1
253 4 24 VAL C 5 24 VAL C 5.300 4.700 5.500 5.841 4.950 6.885 1.385 7 3 "[- * . + 1]" 1
254 1 30 ALA CB 2 30 ALA CB 5.300 4.700 5.500 5.416 5.046 6.690 1.190 3 1 "[ + . 1]" 1
255 2 30 ALA CB 3 30 ALA CB 5.300 4.700 5.500 5.145 3.888 5.539 0.812 3 1 "[ + . 1]" 1
256 3 30 ALA CB 4 30 ALA CB 5.300 4.700 5.500 5.053 4.011 5.502 0.689 7 1 "[ . + 1]" 1
257 4 30 ALA CB 5 30 ALA CB 5.300 4.700 5.500 5.593 4.507 7.773 2.273 3 3 "[* + - 1]" 1
258 1 33 GLY CA 2 33 GLY CA 5.300 4.700 5.500 4.942 4.406 5.729 0.294 7 0 "[ . 1]" 1
259 2 33 GLY CA 3 33 GLY CA 5.300 4.700 5.500 4.845 4.124 5.129 0.576 7 1 "[ . + 1]" 1
260 3 33 GLY CA 4 33 GLY CA 5.300 4.700 5.500 4.972 4.260 5.714 0.440 1 0 "[ . 1]" 1
261 4 33 GLY CA 5 33 GLY CA 5.300 4.700 5.500 4.727 4.150 5.002 0.550 5 2 "[ - + 1]" 1
262 1 36 VAL CA 2 36 VAL CA 5.300 4.700 5.500 4.720 3.960 4.924 0.740 3 1 "[ + . 1]" 1
263 2 36 VAL CA 3 36 VAL CA 5.300 4.700 5.500 4.956 4.263 5.484 0.437 7 0 "[ . 1]" 1
264 3 36 VAL CA 4 36 VAL CA 5.300 4.700 5.500 4.918 4.388 5.896 0.396 3 0 "[ . 1]" 1
265 4 36 VAL CA 5 36 VAL CA 5.300 4.700 5.500 4.815 4.424 5.001 0.276 3 0 "[ . 1]" 1
266 1 38 GLY CA 2 38 GLY CA 5.300 4.700 5.500 4.698 3.529 5.195 1.171 3 1 "[ + . 1]" 1
267 2 38 GLY CA 3 38 GLY CA 5.300 4.700 5.500 4.968 4.383 5.704 0.317 7 0 "[ . 1]" 1
268 3 38 GLY CA 4 38 GLY CA 5.300 4.700 5.500 4.801 4.096 5.021 0.604 7 1 "[ . + 1]" 1
269 4 38 GLY CA 5 38 GLY CA 5.300 4.700 5.500 4.917 4.183 5.871 0.517 7 1 "[ . + 1]" 1
270 1 39 VAL C 2 39 VAL C 5.300 4.700 5.500 4.885 4.164 5.120 0.536 9 1 "[ . +1]" 1
271 2 39 VAL C 3 39 VAL C 5.300 4.700 5.500 4.946 4.151 5.484 0.549 7 1 "[ . + 1]" 1
272 3 39 VAL C 4 39 VAL C 5.300 4.700 5.500 4.990 4.514 5.414 0.186 7 0 "[ . 1]" 1
273 4 39 VAL C 5 39 VAL C 5.300 4.700 5.500 4.739 4.390 5.057 0.310 7 0 "[ . 1]" 1
274 6 9 GLY CA 7 9 GLY CA 5.300 4.700 5.500 4.819 3.747 6.033 0.953 1 4 "[+ . ** -]" 1
275 7 9 GLY CA 8 9 GLY CA 5.300 4.700 5.500 5.076 3.546 5.431 1.154 8 1 "[ . + 1]" 1
276 8 9 GLY CA 9 9 GLY CA 5.300 4.700 5.500 4.907 3.314 5.755 1.386 6 2 "[ .+ -1]" 1
277 9 9 GLY CA 10 9 GLY CA 5.300 4.700 5.500 4.368 3.312 5.606 1.388 8 5 "[* . *+-*]" 1
278 6 12 VAL C 7 12 VAL C 5.300 4.700 5.500 4.740 4.054 5.136 0.646 9 2 "[ . - +1]" 1
279 7 12 VAL C 8 12 VAL C 5.300 4.700 5.500 4.791 3.911 5.195 0.789 1 2 "[+ . - 1]" 1
280 8 12 VAL C 9 12 VAL C 5.300 4.700 5.500 4.971 4.402 5.478 0.298 10 0 "[ . 1]" 1
281 9 12 VAL C 10 12 VAL C 5.300 4.700 5.500 4.405 3.956 4.902 0.744 1 3 "[+ *. - 1]" 1
282 6 18 VAL C 7 18 VAL C 5.300 4.700 5.500 5.139 5.035 5.367 . 0 0 "[ . 1]" 1
283 7 18 VAL C 8 18 VAL C 5.300 4.700 5.500 5.129 5.012 5.272 . 0 0 "[ . 1]" 1
284 8 18 VAL C 9 18 VAL C 5.300 4.700 5.500 5.160 5.063 5.446 . 0 0 "[ . 1]" 1
285 9 18 VAL C 10 18 VAL C 5.300 4.700 5.500 5.022 4.690 5.497 0.010 1 0 "[ . 1]" 1
286 6 21 ALA CB 7 21 ALA CB 5.300 4.700 5.500 4.947 4.497 5.485 0.203 9 0 "[ . 1]" 1
287 7 21 ALA CB 8 21 ALA CB 5.300 4.700 5.500 5.067 4.663 5.536 0.037 7 0 "[ . 1]" 1
288 8 21 ALA CB 9 21 ALA CB 5.300 4.700 5.500 5.243 4.882 5.614 0.114 6 0 "[ . 1]" 1
289 9 21 ALA CB 10 21 ALA CB 5.300 4.700 5.500 4.842 4.465 5.421 0.235 3 0 "[ . 1]" 1
290 6 24 VAL C 7 24 VAL C 5.300 4.700 5.500 5.733 4.636 6.427 0.927 9 2 "[ -. +1]" 1
291 7 24 VAL C 8 24 VAL C 5.300 4.700 5.500 5.645 4.776 6.543 1.043 3 1 "[ + . 1]" 1
292 8 24 VAL C 9 24 VAL C 5.300 4.700 5.500 5.653 5.120 6.380 0.880 7 2 "[ .-+ 1]" 1
293 9 24 VAL C 10 24 VAL C 5.300 4.700 5.500 5.553 4.825 6.307 0.807 9 1 "[ . +1]" 1
294 6 30 ALA CB 7 30 ALA CB 5.300 4.700 5.500 5.233 4.791 5.545 0.045 3 0 "[ . 1]" 1
295 7 30 ALA CB 8 30 ALA CB 5.300 4.700 5.500 5.339 4.966 5.711 0.211 10 0 "[ . 1]" 1
296 8 30 ALA CB 9 30 ALA CB 5.300 4.700 5.500 5.299 5.193 5.350 . 0 0 "[ . 1]" 1
297 9 30 ALA CB 10 30 ALA CB 5.300 4.700 5.500 5.105 3.285 5.617 1.415 3 1 "[ + . 1]" 1
298 6 33 GLY CA 7 33 GLY CA 5.300 4.700 5.500 4.733 3.343 5.051 1.357 10 1 "[ . +]" 1
299 7 33 GLY CA 8 33 GLY CA 5.300 4.700 5.500 4.883 4.332 5.036 0.368 3 0 "[ . 1]" 1
300 8 33 GLY CA 9 33 GLY CA 5.300 4.700 5.500 4.922 4.357 5.048 0.343 3 0 "[ . 1]" 1
301 9 33 GLY CA 10 33 GLY CA 5.300 4.700 5.500 4.780 3.870 5.000 0.830 3 1 "[ + . 1]" 1
302 6 36 VAL CA 7 36 VAL CA 5.300 4.700 5.500 4.840 4.233 5.402 0.467 6 0 "[ . 1]" 1
303 7 36 VAL CA 8 36 VAL CA 5.300 4.700 5.500 4.936 4.259 5.191 0.441 7 0 "[ . 1]" 1
304 8 36 VAL CA 9 36 VAL CA 5.300 4.700 5.500 4.912 4.405 5.276 0.295 3 0 "[ . 1]" 1
305 9 36 VAL CA 10 36 VAL CA 5.300 4.700 5.500 4.852 4.416 4.979 0.284 3 0 "[ . 1]" 1
306 6 38 GLY CA 7 38 GLY CA 5.300 4.700 5.500 4.722 3.887 5.555 0.813 10 2 "[ - . +]" 1
307 7 38 GLY CA 8 38 GLY CA 5.300 4.700 5.500 4.913 4.267 5.227 0.433 3 0 "[ . 1]" 1
308 8 38 GLY CA 9 38 GLY CA 5.300 4.700 5.500 4.884 4.125 5.040 0.575 3 1 "[ + . 1]" 1
309 9 38 GLY CA 10 38 GLY CA 5.300 4.700 5.500 4.865 3.667 5.623 1.033 3 1 "[ + . 1]" 1
310 6 39 VAL C 7 39 VAL C 5.300 4.700 5.500 4.932 4.684 5.098 0.016 2 0 "[ . 1]" 1
311 7 39 VAL C 8 39 VAL C 5.300 4.700 5.500 4.956 4.634 5.380 0.066 7 0 "[ . 1]" 1
312 8 39 VAL C 9 39 VAL C 5.300 4.700 5.500 4.979 4.649 5.222 0.051 5 0 "[ . 1]" 1
313 9 39 VAL C 10 39 VAL C 5.300 4.700 5.500 4.909 4.597 5.232 0.103 7 0 "[ . 1]" 1
314 1 39 VAL CG1 6 33 GLY CA 5.500 3.000 7.000 6.235 4.450 8.969 1.969 7 1 "[ . + 1]" 1
315 1 33 GLY CA 6 39 VAL CG1 5.500 3.000 7.000 6.540 4.217 12.135 5.135 7 2 "[ - . + 1]" 1
316 2 39 VAL CG1 7 33 GLY CA 5.500 3.000 7.000 6.218 4.634 8.064 1.064 3 2 "[ + . - 1]" 1
317 2 33 GLY CA 7 39 VAL CG1 5.500 3.000 7.000 6.613 4.418 11.463 4.463 7 1 "[ . + 1]" 1
318 3 39 VAL CG1 8 33 GLY CA 5.500 3.000 7.000 5.948 4.562 8.221 1.221 7 1 "[ . + 1]" 1
319 3 33 GLY CA 8 39 VAL CG1 5.500 3.000 7.000 6.659 5.506 8.423 1.423 7 1 "[ . + 1]" 1
320 4 39 VAL CG1 9 33 GLY CA 5.500 3.000 7.000 6.431 5.679 7.120 0.120 3 0 "[ . 1]" 1
321 4 33 GLY CA 9 39 VAL CG1 5.500 3.000 7.000 6.148 4.101 7.431 0.431 7 0 "[ . 1]" 1
322 5 39 VAL CG1 10 33 GLY CA 5.500 3.000 7.000 6.020 4.114 7.039 0.039 8 0 "[ . 1]" 1
323 5 33 GLY CA 10 39 VAL CG1 5.500 3.000 7.000 6.115 3.791 7.792 0.792 3 1 "[ + . 1]" 1
324 1 39 VAL CG2 6 31 ILE CG2 5.500 3.000 7.000 6.596 4.839 7.852 0.852 7 1 "[ . + 1]" 1
325 1 31 ILE CG2 6 39 VAL CG2 5.500 3.000 7.000 6.952 5.939 8.345 1.345 7 1 "[ . + 1]" 1
326 2 39 VAL CG2 7 31 ILE CG2 5.500 3.000 7.000 6.780 5.213 8.077 1.077 3 2 "[ + . - 1]" 1
327 2 31 ILE CG2 7 39 VAL CG2 5.500 3.000 7.000 7.064 6.221 9.199 2.199 7 1 "[ . + 1]" 1
328 3 39 VAL CG2 8 31 ILE CG2 5.500 3.000 7.000 6.261 5.409 6.965 . 0 0 "[ . 1]" 1
329 3 31 ILE CG2 8 39 VAL CG2 5.500 3.000 7.000 6.870 5.525 8.107 1.107 3 2 "[ + . - 1]" 1
330 4 39 VAL CG2 9 31 ILE CG2 5.500 3.000 7.000 5.733 4.273 7.033 0.033 5 0 "[ . 1]" 1
331 4 31 ILE CG2 9 39 VAL CG2 5.500 3.000 7.000 6.915 5.484 8.611 1.611 3 3 "[* + - 1]" 1
332 5 39 VAL CG2 10 31 ILE CG2 5.500 3.000 7.000 6.171 5.386 7.055 0.055 1 0 "[ . 1]" 1
333 5 31 ILE CG2 10 39 VAL CG2 5.500 3.000 7.000 6.396 4.456 8.403 1.403 3 1 "[ + . 1]" 1
334 1 35 MET CE 6 35 MET CE 5.500 3.000 7.000 5.633 3.572 10.276 3.276 7 1 "[ . + 1]" 1
335 2 35 MET CE 7 35 MET CE 5.500 3.000 7.000 6.741 5.640 7.701 0.701 7 1 "[ . + 1]" 1
336 3 35 MET CE 8 35 MET CE 5.500 3.000 7.000 5.914 3.485 7.092 0.092 6 0 "[ . 1]" 1
337 4 35 MET CE 9 35 MET CE 5.500 3.000 7.000 5.820 4.241 7.138 0.138 6 0 "[ . 1]" 1
338 5 35 MET CE 10 35 MET CE 5.500 3.000 7.000 5.910 4.581 7.196 0.196 3 0 "[ . 1]" 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 320
_Distance_constraint_stats_list.Viol_count 2838
_Distance_constraint_stats_list.Viol_total 13949.236
_Distance_constraint_stats_list.Viol_max 5.203
_Distance_constraint_stats_list.Viol_rms 0.6835
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4359
_Distance_constraint_stats_list.Viol_average_violations_only 0.4915
_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 10 TYR 21.222 1.801 4 3 "[* +. - 1]"
1 12 VAL 20.113 3.117 3 4 "[* +*. - 1]"
1 16 LYS 7.459 1.747 3 3 "[ +*. - 1]"
1 18 VAL 30.223 5.203 3 4 "[- + . ** 1]"
1 20 PHE 18.302 2.589 3 6 "[ -+ * ** *]"
1 22 GLU 13.342 1.675 7 10 [-*****+***]
1 31 ILE 11.126 2.505 3 1 "[ + . 1]"
1 33 GLY 14.990 4.486 3 1 "[ + . 1]"
1 35 MET 17.575 3.794 3 3 "[ + . - *1]"
1 37 GLY 17.887 2.352 9 3 "[ * . - +1]"
1 39 VAL 12.244 1.823 9 2 "[ - . +1]"
2 9 GLY 11.202 1.801 4 3 "[* +. - 1]"
2 10 TYR 32.327 2.455 4 6 "[* *+- * *]"
2 11 GLU 27.084 3.117 3 4 "[* +*. - 1]"
2 12 VAL 25.169 4.483 3 5 "[* +*. * -1]"
2 13 HIS 3.049 1.097 7 2 "[ - . + 1]"
2 16 LYS 3.148 0.817 7 1 "[ . + 1]"
2 17 LEU 23.962 4.678 3 5 "[* +*. -* 1]"
2 18 VAL 27.047 4.464 3 7 "[* +*.**- *]"
2 19 PHE 25.675 5.203 3 6 "[ -+ * ** *]"
2 20 PHE 31.135 3.701 3 10 [**+****-**]
2 21 ALA 19.689 1.703 3 10 [-*+*******]
2 22 GLU 11.194 1.340 3 5 "[* +-. * *1]"
2 30 ALA 3.457 0.766 3 1 "[ + . 1]"
2 31 ILE 13.939 2.151 3 2 "[ + . - 1]"
2 32 ILE 11.917 2.505 3 1 "[ + . 1]"
2 33 GLY 13.504 3.193 3 2 "[ + . - 1]"
2 34 LEU 19.841 4.486 3 2 "[ + . - 1]"
2 35 MET 16.409 2.736 3 3 "[ + . * -1]"
2 36 VAL 15.212 3.794 3 2 "[ + . -1]"
2 37 GLY 15.606 2.691 3 2 "[ + . - 1]"
2 38 GLY 17.880 2.352 9 3 "[ - . * +1]"
2 39 VAL 6.173 0.696 7 2 "[ - . + 1]"
2 40 VAL 5.515 1.630 3 2 "[ + . -1]"
3 9 GLY 18.266 2.455 4 6 "[* *+- * *]"
3 10 TYR 36.449 4.672 3 5 "[* +*. * -1]"
3 11 GLU 34.868 4.483 3 5 "[* +*. * -1]"
3 12 VAL 24.929 2.455 1 4 "[+ *-. * 1]"
3 13 HIS 4.362 1.692 7 2 "[ * . + 1]"
3 16 LYS 5.318 1.140 3 1 "[ + . 1]"
3 17 LEU 19.429 4.464 3 7 "[* +*.**- *]"
3 18 VAL 25.210 3.014 3 7 "[**+** * -1]"
3 19 PHE 32.770 3.701 3 10 [**+****-**]
3 20 PHE 28.474 5.179 3 10 [-*+*******]
3 21 ALA 20.327 1.920 7 5 "[* *-. + *1]"
3 22 GLU 8.093 1.729 3 3 "[- + . * 1]"
3 30 ALA 7.000 1.202 3 2 "[ + . * 1]"
3 31 ILE 26.340 3.002 1 4 "[+ - * * 1]"
3 32 ILE 10.814 2.151 3 2 "[ + . - 1]"
3 33 GLY 16.843 2.609 3 3 "[ + * * 1]"
3 34 LEU 16.504 3.193 3 3 "[ + . * -1]"
3 35 MET 9.499 1.200 7 3 "[* * . + 1]"
3 36 VAL 15.810 2.736 3 3 "[ + . * -1]"
3 37 GLY 11.649 2.241 3 2 "[ + . * 1]"
3 38 GLY 13.741 2.691 3 2 "[ + . - 1]"
3 39 VAL 7.422 0.661 1 3 "[+ - . * 1]"
3 40 VAL 1.762 0.552 3 1 "[ + . 1]"
4 9 GLY 15.097 2.359 1 5 "[+ **. * -1]"
4 10 TYR 50.888 3.916 3 8 "[-*+**** *]"
4 11 GLU 38.160 4.672 3 4 "[* +-. * 1]"
4 12 VAL 26.799 2.070 1 8 "[+*-**** *]"
4 13 HIS 8.121 1.830 1 3 "[+ - . * 1]"
4 16 LYS 8.460 2.693 4 2 "[ +. * 1]"
4 17 LEU 23.054 3.014 3 7 "[**+** * -1]"
4 18 VAL 14.452 2.430 7 7 "[* ***-+ *]"
4 19 PHE 29.614 5.179 3 10 [-*+*******]
4 20 PHE 20.419 4.101 3 8 "[* +*** -**]"
4 21 ALA 14.428 1.729 3 3 "[- + . * 1]"
4 22 GLU 3.411 1.211 3 1 "[ + . 1]"
4 30 ALA 14.819 2.473 1 4 "[+ - * * 1]"
4 31 ILE 28.298 2.468 3 5 "[* + *** 1]"
4 32 ILE 24.260 3.002 1 4 "[+ * * - 1]"
4 33 GLY 11.904 2.635 3 4 "[- + * * 1]"
4 34 LEU 8.058 1.200 7 4 "[* - * + 1]"
4 35 MET 7.110 1.176 7 3 "[* * . + 1]"
4 36 VAL 11.123 1.181 3 2 "[ + . * 1]"
4 37 GLY 12.390 2.561 3 3 "[- + . * 1]"
4 38 GLY 11.941 2.241 3 3 "[* + . * 1]"
4 39 VAL 4.694 0.455 3 0 "[ . 1]"
4 40 VAL 1.551 0.558 3 1 "[ + . 1]"
5 9 GLY 27.337 2.304 3 8 "[-*+**** *]"
5 11 GLU 45.517 3.916 3 8 "[-*+**** *]"
5 13 HIS 4.833 0.648 1 3 "[+ -*. 1]"
5 17 LEU 18.333 2.693 4 7 "[* *+*-* *]"
5 19 PHE 16.221 2.430 7 9 "[* ****+-**]"
5 21 ALA 12.187 4.101 3 1 "[ + . 1]"
5 30 ALA 11.735 2.104 1 5 "[+ - *** 1]"
5 32 ILE 25.314 2.635 3 4 "[* + - * 1]"
5 34 LEU 6.776 1.176 7 3 "[- * . + 1]"
5 36 VAL 6.416 0.729 3 3 "[- + . * 1]"
5 38 GLY 13.252 2.561 3 2 "[- + . 1]"
5 40 VAL 0.903 0.287 3 0 "[ . 1]"
6 10 TYR 30.543 2.344 8 6 "[* *. -+**]"
6 12 VAL 14.522 2.101 8 3 "[- . *+ 1]"
6 16 LYS 3.765 0.552 9 1 "[ . +1]"
6 18 VAL 13.511 0.916 7 5 "[ ** . +- *]"
6 20 PHE 17.387 1.011 10 8 "[-***** *+]"
6 22 GLU 9.288 0.926 5 6 "[** + **-1]"
6 31 ILE 7.500 1.129 10 2 "[ . -+]"
6 33 GLY 10.418 2.066 10 3 "[ * .- +]"
6 35 MET 13.123 2.229 10 3 "[ .*- +]"
6 37 GLY 23.752 4.610 3 4 "[ + .** *]"
6 39 VAL 14.404 4.255 3 3 "[ + .** 1]"
7 9 GLY 20.426 2.344 8 6 "[- *. *+**]"
7 10 TYR 39.224 4.449 8 7 "[* -**+**]"
7 11 GLU 23.294 2.101 8 4 "[* . -+*1]"
7 12 VAL 17.822 2.483 7 5 "[* .-+* *]"
7 13 HIS 1.346 0.356 8 0 "[ . 1]"
7 16 LYS 4.727 0.539 7 1 "[ . + 1]"
7 17 LEU 12.377 0.790 8 6 "[ -* . *+**]"
7 18 VAL 12.517 0.937 8 6 "[****. +-1]"
7 19 PHE 15.348 0.916 7 10 [******+-**]
7 20 PHE 15.934 0.732 7 9 "[***-**+ **]"
7 21 ALA 16.224 1.011 10 10 [**-******+]
7 22 GLU 4.849 0.854 7 2 "[ . +- 1]"
7 30 ALA 4.992 1.129 10 2 "[ . -+]"
7 31 ILE 6.322 0.402 7 0 "[ . 1]"
7 32 ILE 4.866 0.583 6 1 "[ .+ 1]"
7 33 GLY 5.042 0.446 7 0 "[ . 1]"
7 34 LEU 13.420 2.066 10 3 "[ - .* +]"
7 35 MET 7.790 0.771 3 2 "[ + . - 1]"
7 36 VAL 14.397 2.229 10 4 "[ - .** +]"
7 37 GLY 19.550 4.866 3 2 "[ + . - 1]"
7 38 GLY 29.168 4.610 3 3 "[ + .*- 1]"
7 39 VAL 13.317 4.770 3 2 "[ + . * 1]"
7 40 VAL 2.354 0.696 3 1 "[ + . 1]"
8 9 GLY 16.945 4.201 8 6 "[* -**+*1]"
8 10 TYR 35.931 2.488 8 6 "[- .**+**]"
8 11 GLU 37.749 4.449 8 6 "[* .-*+**]"
8 12 VAL 17.683 2.596 10 3 "[ .* *+]"
8 13 HIS 2.352 0.838 8 2 "[ . -+ 1]"
8 16 LYS 3.342 0.420 10 0 "[ . 1]"
8 17 LEU 13.336 0.937 8 7 "[****. *+-1]"
8 18 VAL 13.475 1.013 3 6 "[ +** **-]"
8 19 PHE 14.536 0.710 4 9 "[***+*** **]"
8 20 PHE 14.805 0.948 3 9 "[**+***- **]"
8 21 ALA 10.155 0.854 7 2 "[ . +- 1]"
8 22 GLU 3.260 0.713 7 1 "[ . + 1]"
8 30 ALA 3.272 0.402 7 0 "[ . 1]"
8 31 ILE 8.930 0.567 9 2 "[ . - +1]"
8 32 ILE 5.281 0.446 7 0 "[ . 1]"
8 33 GLY 5.753 0.593 7 1 "[ . + 1]"
8 34 LEU 6.366 0.549 7 1 "[ . + 1]"
8 35 MET 5.798 0.761 7 1 "[ . + 1]"
8 36 VAL 8.133 0.771 3 2 "[ + . - 1]"
8 37 GLY 17.550 4.933 3 2 "[ + . - 1]"
8 38 GLY 27.498 4.866 3 3 "[ + . *- 1]"
8 39 VAL 13.042 4.686 3 1 "[ + . 1]"
8 40 VAL 1.471 0.527 3 1 "[ + . 1]"
9 9 GLY 17.181 2.280 6 6 "[- .+****]"
9 10 TYR 55.643 3.308 9 9 [****.-**+*]
9 11 GLU 34.405 2.596 10 6 "[- .****+]"
9 12 VAL 35.074 3.948 6 8 "[** *.+*-**]"
9 13 HIS 2.028 0.425 8 0 "[ . 1]"
9 16 LYS 10.354 2.749 1 3 "[+ - . *]"
9 17 LEU 13.301 1.013 3 6 "[ +** **-]"
9 18 VAL 10.505 0.652 10 7 "[ ** *-** +]"
9 19 PHE 14.762 0.948 3 9 "[**+***- **]"
9 20 PHE 10.785 0.934 10 7 "[*- **** +]"
9 21 ALA 6.819 0.713 7 1 "[ . + 1]"
9 22 GLU 2.035 0.478 8 0 "[ . 1]"
9 30 ALA 4.628 0.567 9 1 "[ . +1]"
9 31 ILE 10.891 1.113 3 4 "[- + . * *]"
9 32 ILE 6.100 0.565 7 1 "[ . + 1]"
9 33 GLY 5.316 0.472 7 0 "[ . 1]"
9 34 LEU 5.726 0.593 7 1 "[ . + 1]"
9 35 MET 6.283 1.590 3 1 "[ + . 1]"
9 36 VAL 7.116 0.761 7 1 "[ . + 1]"
9 37 GLY 21.206 4.023 3 2 "[ + . - 1]"
9 38 GLY 25.189 4.933 3 2 "[ + . - 1]"
9 39 VAL 12.774 4.263 3 1 "[ + . 1]"
9 40 VAL 2.314 0.981 3 1 "[ + . 1]"
10 9 GLY 35.875 3.308 9 9 [****.-**+*]
10 11 GLU 51.300 3.948 6 8 "[** *.+****]"
10 13 HIS 3.542 0.897 4 2 "[ +. - 1]"
10 17 LEU 18.995 2.749 1 8 "[+** *-** *]"
10 19 PHE 10.658 0.934 10 7 "[*- **** +]"
10 21 ALA 4.027 0.478 8 0 "[ . 1]"
10 30 ALA 6.838 1.113 3 4 "[- + . * *]"
10 32 ILE 5.970 0.472 7 0 "[ . 1]"
10 34 LEU 4.907 0.497 7 0 "[ . 1]"
10 36 VAL 12.502 2.649 3 2 "[ + . * 1]"
10 38 GLY 23.318 4.263 3 2 "[ + . * 1]"
10 40 VAL 2.936 1.459 3 1 "[ + . 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 10 TYR H 2 9 GLY O 2.000 . 2.200 2.871 1.800 4.001 1.801 4 3 "[* +. - 1]" 2
2 1 10 TYR N 2 9 GLY O 3.000 2.800 3.200 3.550 2.705 4.928 1.728 1 2 "[+ . - 1]" 2
3 1 10 TYR O 2 11 GLU H 2.000 . 2.200 2.861 2.341 3.945 1.745 1 3 "[+ *. - 1]" 2
4 1 10 TYR O 2 11 GLU N 3.000 2.800 3.200 3.532 3.116 4.874 1.674 4 2 "[ +. - 1]" 2
5 2 10 TYR H 3 9 GLY O 2.000 . 2.200 3.288 2.493 4.655 2.455 4 6 "[* *+- * *]" 2
6 2 10 TYR N 3 9 GLY O 3.000 2.800 3.200 3.938 3.396 5.599 2.399 4 3 "[ *+. - 1]" 2
7 2 10 TYR O 3 11 GLU H 2.000 . 2.200 3.146 2.350 4.468 2.268 1 4 "[+ **. - 1]" 2
8 2 10 TYR O 3 11 GLU N 3.000 2.800 3.200 3.660 3.258 5.437 2.237 1 2 "[+ . - 1]" 2
9 3 10 TYR H 4 9 GLY O 2.000 . 2.200 3.211 2.419 4.559 2.359 1 5 "[+ **. * -1]" 2
10 3 10 TYR N 4 9 GLY O 3.000 2.800 3.200 3.699 3.244 5.535 2.335 1 2 "[+ . - 1]" 2
11 3 10 TYR O 4 11 GLU H 2.000 . 2.200 3.517 2.265 6.872 4.672 3 4 "[* +*. - 1]" 2
12 3 10 TYR O 4 11 GLU N 3.000 2.800 3.200 4.018 3.192 5.937 2.737 3 4 "[- +*. * 1]" 2
13 4 10 TYR H 5 9 GLY O 2.000 . 2.200 3.770 2.428 4.504 2.304 3 8 "[-*+**** *]" 2
14 4 10 TYR N 5 9 GLY O 3.000 2.800 3.200 4.364 3.270 5.294 2.094 5 6 "[ ***+- *]" 2
15 4 10 TYR O 5 11 GLU H 2.000 . 2.200 3.940 2.377 6.116 3.916 3 8 "[**+-*** *]" 2
16 4 10 TYR O 5 11 GLU N 3.000 2.800 3.200 3.789 2.998 5.996 2.796 7 3 "[- * . + 1]" 2
17 1 12 VAL H 2 11 GLU O 2.000 . 2.200 3.215 2.444 5.317 3.117 3 4 "[* +*. - 1]" 2
18 1 12 VAL N 2 11 GLU O 3.000 2.800 3.200 3.891 3.308 6.293 3.093 3 3 "[* + . - 1]" 2
19 1 12 VAL O 2 13 HIS H 2.000 . 2.200 2.389 1.996 3.297 1.097 7 2 "[ - . + 1]" 2
20 1 12 VAL O 2 13 HIS N 3.000 2.800 3.200 3.098 2.577 3.562 0.362 7 0 "[ . 1]" 2
21 2 12 VAL H 3 11 GLU O 2.000 . 2.200 3.496 2.503 6.683 4.483 3 5 "[* +*. * -1]" 2
22 2 12 VAL N 3 11 GLU O 3.000 2.800 3.200 3.984 3.392 5.835 2.635 3 4 "[* +*. - 1]" 2
23 2 12 VAL O 3 13 HIS H 2.000 . 2.200 2.526 2.104 3.892 1.692 7 2 "[ - . + 1]" 2
24 2 12 VAL O 3 13 HIS N 3.000 2.800 3.200 3.186 2.783 3.829 0.629 7 1 "[ . + 1]" 2
25 3 12 VAL H 4 11 GLU O 2.000 . 2.200 3.273 2.387 4.655 2.455 1 4 "[+ **. - 1]" 2
26 3 12 VAL N 4 11 GLU O 3.000 2.800 3.200 3.807 3.316 5.618 2.418 1 4 "[+ *-. * 1]" 2
27 3 12 VAL O 4 13 HIS H 2.000 . 2.200 2.702 2.062 4.030 1.830 1 3 "[+ - . * 1]" 2
28 3 12 VAL O 4 13 HIS N 3.000 2.800 3.200 3.398 2.887 4.329 1.129 1 3 "[+ - . * 1]" 2
29 4 12 VAL H 5 11 GLU O 2.000 . 2.200 3.444 2.310 4.270 2.070 1 7 "[+* **-* *]" 2
30 4 12 VAL N 5 11 GLU O 3.000 2.800 3.200 4.017 2.356 5.216 2.016 5 6 "[-* *+* *]" 2
31 4 12 VAL O 5 13 HIS H 2.000 . 2.200 2.505 1.868 2.848 0.648 1 3 "[+ *-. 1]" 2
32 4 12 VAL O 5 13 HIS N 3.000 2.800 3.200 3.247 2.828 3.709 0.509 3 1 "[ + . 1]" 2
33 1 16 LYS O 2 17 LEU H 2.000 . 2.200 2.642 2.342 3.947 1.747 3 3 "[ +*. - 1]" 2
34 1 16 LYS O 2 17 LEU N 3.000 2.800 3.200 3.482 2.981 4.890 1.690 3 1 "[ + . 1]" 2
35 1 18 VAL H 2 17 LEU O 2.000 . 2.200 3.222 2.531 6.878 4.678 3 4 "[- + . ** 1]" 2
36 1 18 VAL N 2 17 LEU O 3.000 2.800 3.200 3.828 3.407 5.921 2.721 3 2 "[ + . - 1]" 2
37 2 16 LYS O 3 17 LEU H 2.000 . 2.200 2.421 2.236 3.017 0.817 7 1 "[ . + 1]" 2
38 2 16 LYS O 3 17 LEU N 3.000 2.800 3.200 3.240 2.734 3.365 0.165 4 0 "[ . 1]" 2
39 2 18 VAL H 3 17 LEU O 2.000 . 2.200 3.211 2.614 6.664 4.464 3 7 "[* +*.**- *]" 2
40 2 18 VAL N 3 17 LEU O 3.000 2.800 3.200 3.817 3.485 5.697 2.497 3 2 "[ + . - 1]" 2
41 3 16 LYS O 4 17 LEU H 2.000 . 2.200 2.526 2.303 3.340 1.140 3 1 "[ + . 1]" 2
42 3 16 LYS O 4 17 LEU N 3.000 2.800 3.200 3.384 2.980 4.113 0.913 3 1 "[ + . 1]" 2
43 3 18 VAL H 4 17 LEU O 2.000 . 2.200 3.242 2.646 5.214 3.014 3 7 "[*-+** * *1]" 2
44 3 18 VAL N 4 17 LEU O 3.000 2.800 3.200 3.932 3.498 6.071 2.871 7 4 "[* * . + -1]" 2
45 4 16 LYS O 5 17 LEU H 2.000 . 2.200 2.805 2.212 4.893 2.693 4 2 "[ +. - 1]" 2
46 4 16 LYS O 5 17 LEU N 3.000 2.800 3.200 3.437 3.166 4.290 1.090 7 2 "[ -. + 1]" 2
47 4 18 VAL H 5 17 LEU O 2.000 . 2.200 2.731 2.305 3.184 0.984 3 6 "[* +**- *]" 2
48 4 18 VAL N 5 17 LEU O 3.000 2.800 3.200 3.355 1.496 3.929 1.304 7 2 "[ - . + 1]" 2
49 1 18 VAL O 2 19 PHE H 2.000 . 2.200 3.049 2.248 7.403 5.203 3 2 "[ + . - 1]" 2
50 1 18 VAL O 2 19 PHE N 3.000 2.800 3.200 3.724 3.208 6.544 3.344 3 2 "[ + . - 1]" 2
51 1 20 PHE H 2 19 PHE O 2.000 . 2.200 2.982 2.424 4.789 2.589 3 6 "[ -+ * ** *]" 2
52 1 20 PHE N 2 19 PHE O 3.000 2.800 3.200 3.614 3.295 4.300 1.100 3 2 "[ + . - 1]" 2
53 2 18 VAL O 3 19 PHE H 2.000 . 2.200 2.807 2.336 4.818 2.618 3 2 "[ + . - 1]" 2
54 2 18 VAL O 3 19 PHE N 3.000 2.800 3.200 3.669 3.274 5.758 2.558 3 2 "[ + . - 1]" 2
55 2 20 PHE H 3 19 PHE O 2.000 . 2.200 3.387 2.716 5.901 3.701 3 10 [-*+*******] 2
56 2 20 PHE N 3 19 PHE O 3.000 2.800 3.200 4.214 3.559 6.884 3.684 3 6 "[ +*.**-*1]" 2
57 3 18 VAL O 4 19 PHE H 2.000 . 2.200 2.641 2.232 4.920 2.720 7 2 "[ - . + 1]" 2
58 3 18 VAL O 4 19 PHE N 3.000 2.800 3.200 3.504 3.179 5.403 2.203 7 1 "[ . + 1]" 2
59 3 20 PHE H 4 19 PHE O 2.000 . 2.200 3.566 2.711 7.379 5.179 3 10 [**+-******] 2
60 3 20 PHE N 4 19 PHE O 3.000 2.800 3.200 4.047 3.499 6.439 3.239 3 5 "[- + . ***1]" 2
61 4 18 VAL O 5 19 PHE H 2.000 . 2.200 2.423 1.747 4.630 2.430 7 1 "[ . + 1]" 2
62 4 18 VAL O 5 19 PHE N 3.000 2.800 3.200 3.258 2.717 4.482 1.282 7 1 "[ . + 1]" 2
63 4 20 PHE H 5 19 PHE O 2.000 . 2.200 2.964 2.670 4.511 2.311 3 8 "[* +*** -**]" 2
64 4 20 PHE N 5 19 PHE O 3.000 2.800 3.200 3.600 3.468 3.651 0.451 3 0 "[ . 1]" 2
65 1 20 PHE O 2 21 ALA H 2.000 . 2.200 2.589 2.191 3.903 1.703 3 2 "[ + . - 1]" 2
66 1 20 PHE O 2 21 ALA N 3.000 2.800 3.200 3.423 3.112 4.799 1.599 3 2 "[ + . - 1]" 2
67 1 22 GLU H 2 21 ALA O 2.000 . 2.200 3.069 2.777 3.875 1.675 7 10 [******+*-*] 2
68 1 22 GLU N 2 21 ALA O 3.000 2.800 3.200 3.619 2.770 4.034 0.834 5 6 "[-* +* * *]" 2
69 2 20 PHE O 3 21 ALA H 2.000 . 2.200 2.724 2.371 4.120 1.920 7 2 "[ - . + 1]" 2
70 2 20 PHE O 3 21 ALA N 3.000 2.800 3.200 3.589 3.295 4.685 1.485 3 2 "[ + . - 1]" 2
71 2 22 GLU H 3 21 ALA O 2.000 . 2.200 2.813 2.386 3.540 1.340 3 5 "[* +-. * *1]" 2
72 2 22 GLU N 3 21 ALA O 3.000 2.800 3.200 3.706 3.303 4.517 1.317 3 4 "[ +-. * *1]" 2
73 3 20 PHE O 4 21 ALA H 2.000 . 2.200 2.659 2.358 3.720 1.520 3 2 "[ + . - 1]" 2
74 3 20 PHE O 4 21 ALA N 3.000 2.800 3.200 3.353 2.987 3.552 0.352 7 0 "[ . 1]" 2
75 3 22 GLU H 4 21 ALA O 2.000 . 2.200 2.666 2.191 3.929 1.729 3 3 "[- + . * 1]" 2
76 3 22 GLU N 4 21 ALA O 3.000 2.800 3.200 3.523 3.129 4.443 1.243 7 3 "[- * . + 1]" 2
77 4 20 PHE O 5 21 ALA H 2.000 . 2.200 2.769 2.114 6.301 4.101 3 1 "[ + . 1]" 2
78 4 20 PHE O 5 21 ALA N 3.000 2.800 3.200 3.409 2.646 5.327 2.127 3 1 "[ + . 1]" 2
79 4 22 GLU H 5 21 ALA O 2.000 . 2.200 2.281 1.637 3.411 1.211 3 1 "[ + . 1]" 2
80 4 22 GLU N 5 21 ALA O 3.000 2.800 3.200 3.108 2.356 3.711 0.511 3 1 "[ + . 1]" 2
81 1 31 ILE H 2 30 ALA O 2.000 . 2.200 2.276 1.518 2.500 0.300 1 0 "[ . 1]" 2
82 1 31 ILE N 2 30 ALA O 3.000 2.800 3.200 3.108 2.034 3.381 0.766 3 1 "[ + . 1]" 2
83 1 31 ILE O 2 32 ILE H 2.000 . 2.200 2.518 1.470 4.705 2.505 3 1 "[ + . 1]" 2
84 1 31 ILE O 2 32 ILE N 3.000 2.800 3.200 3.401 2.385 5.653 2.453 3 1 "[ + . 1]" 2
85 2 31 ILE H 3 30 ALA O 2.000 . 2.200 2.652 2.339 3.402 1.202 3 2 "[ + . - 1]" 2
86 2 31 ILE N 3 30 ALA O 3.000 2.800 3.200 3.448 3.261 3.995 0.795 3 1 "[ + . 1]" 2
87 2 31 ILE O 3 32 ILE H 2.000 . 2.200 2.549 1.871 4.351 2.151 3 1 "[ + . 1]" 2
88 2 31 ILE O 3 32 ILE N 3.000 2.800 3.200 3.346 2.283 4.768 1.568 3 2 "[ + . - 1]" 2
89 3 31 ILE H 4 30 ALA O 2.000 . 2.200 3.030 2.364 4.673 2.473 1 4 "[+ - * * 1]" 2
90 3 31 ILE N 4 30 ALA O 3.000 2.800 3.200 3.852 3.276 5.652 2.452 1 3 "[+ * - 1]" 2
91 3 31 ILE O 4 32 ILE H 2.000 . 2.200 3.071 2.300 5.202 3.002 1 3 "[+ * - 1]" 2
92 3 31 ILE O 4 32 ILE N 3.000 2.800 3.200 3.407 2.634 4.473 1.273 1 1 "[+ . 1]" 2
93 4 31 ILE H 5 30 ALA O 2.000 . 2.200 3.094 2.378 4.304 2.104 1 5 "[+ * *-* 1]" 2
94 4 31 ILE N 5 30 ALA O 3.000 2.800 3.200 3.479 3.257 3.748 0.548 7 2 "[ - . + 1]" 2
95 4 31 ILE O 5 32 ILE H 2.000 . 2.200 3.093 2.369 4.668 2.468 3 3 "[- + * 1]" 2
96 4 31 ILE O 5 32 ILE N 3.000 2.800 3.200 3.914 2.765 5.627 2.427 3 3 "[- + * 1]" 2
97 1 33 GLY H 2 32 ILE O 2.000 . 2.200 2.537 2.163 4.274 2.074 3 1 "[ + . 1]" 2
98 1 33 GLY N 2 32 ILE O 3.000 2.800 3.200 3.224 2.897 3.567 0.367 3 0 "[ . 1]" 2
99 1 33 GLY O 2 34 LEU H 2.000 . 2.200 2.838 1.812 6.686 4.486 3 1 "[ + . 1]" 2
100 1 33 GLY O 2 34 LEU N 3.000 2.800 3.200 3.506 2.546 5.901 2.701 3 1 "[ + . 1]" 2
101 2 33 GLY H 3 32 ILE O 2.000 . 2.200 2.480 2.302 3.374 1.174 7 1 "[ . + 1]" 2
102 2 33 GLY N 3 32 ILE O 3.000 2.800 3.200 3.299 3.120 3.652 0.452 7 0 "[ . 1]" 2
103 2 33 GLY O 3 34 LEU H 2.000 . 2.200 2.625 1.629 5.393 3.193 3 1 "[ + . 1]" 2
104 2 33 GLY O 3 34 LEU N 3.000 2.800 3.200 3.478 2.120 6.362 3.162 3 2 "[ + . - 1]" 2
105 3 33 GLY H 4 32 ILE O 2.000 . 2.200 2.893 2.037 4.809 2.609 3 3 "[ + * - 1]" 2
106 3 33 GLY N 4 32 ILE O 3.000 2.800 3.200 3.708 2.719 5.745 2.545 3 3 "[ + * - 1]" 2
107 3 33 GLY O 4 34 LEU H 2.000 . 2.200 2.395 1.908 2.888 0.688 5 2 "[ - + 1]" 2
108 3 33 GLY O 4 34 LEU N 3.000 2.800 3.200 3.176 2.398 3.512 0.402 7 0 "[ . 1]" 2
109 4 33 GLY H 5 32 ILE O 2.000 . 2.200 2.869 2.070 4.835 2.635 3 3 "[ + * - 1]" 2
110 4 33 GLY N 5 32 ILE O 3.000 2.800 3.200 3.355 2.950 4.065 0.865 3 2 "[ + - 1]" 2
111 4 33 GLY O 5 34 LEU H 2.000 . 2.200 2.405 2.045 2.726 0.526 1 1 "[+ . 1]" 2
112 4 33 GLY O 5 34 LEU N 3.000 2.800 3.200 3.157 2.646 3.475 0.275 1 0 "[ . 1]" 2
113 1 35 MET H 2 34 LEU O 2.000 . 2.200 2.832 2.369 5.968 3.768 3 2 "[ + . - 1]" 2
114 1 35 MET N 2 34 LEU O 3.000 2.800 3.200 3.477 3.192 5.088 1.888 3 1 "[ + . 1]" 2
115 1 35 MET O 2 36 VAL H 2.000 . 2.200 2.802 2.265 5.994 3.794 3 2 "[ + . -1]" 2
116 1 35 MET O 2 36 VAL N 3.000 2.800 3.200 3.425 3.024 5.096 1.896 3 1 "[ + . 1]" 2
117 2 35 MET H 3 34 LEU O 2.000 . 2.200 2.732 2.332 4.432 2.232 3 3 "[ + . * -1]" 2
118 2 35 MET N 3 34 LEU O 3.000 2.800 3.200 3.356 3.228 3.606 0.406 7 0 "[ . 1]" 2
119 2 35 MET O 3 36 VAL H 2.000 . 2.200 2.644 1.678 4.936 2.736 3 2 "[ + . -1]" 2
120 2 35 MET O 3 36 VAL N 3.000 2.800 3.200 3.478 2.167 5.904 2.704 3 3 "[ + . * -1]" 2
121 3 35 MET H 4 34 LEU O 2.000 . 2.200 2.497 2.260 3.400 1.200 7 2 "[- . + 1]" 2
122 3 35 MET N 4 34 LEU O 3.000 2.800 3.200 3.284 3.072 3.739 0.539 7 1 "[ . + 1]" 2
123 3 35 MET O 4 36 VAL H 2.000 . 2.200 2.313 1.547 3.381 1.181 3 1 "[ + . 1]" 2
124 3 35 MET O 4 36 VAL N 3.000 2.800 3.200 3.142 2.318 4.099 0.899 3 1 "[ + . 1]" 2
125 4 35 MET H 5 34 LEU O 2.000 . 2.200 2.224 1.373 3.376 1.176 7 1 "[ . + 1]" 2
126 4 35 MET N 5 34 LEU O 3.000 2.800 3.200 3.074 2.236 3.742 0.564 3 2 "[ + . - 1]" 2
127 4 35 MET O 5 36 VAL H 2.000 . 2.200 2.420 2.173 2.799 0.599 1 1 "[+ . 1]" 2
128 4 35 MET O 5 36 VAL N 3.000 2.800 3.200 3.205 2.676 3.610 0.410 1 0 "[ . 1]" 2
129 1 37 GLY H 2 36 VAL O 2.000 . 2.200 2.631 2.312 3.888 1.688 3 2 "[ + . -1]" 2
130 1 37 GLY N 2 36 VAL O 3.000 2.800 3.200 3.423 3.011 4.857 1.657 3 1 "[ + . 1]" 2
131 1 37 GLY O 2 38 GLY H 2.000 . 2.200 2.938 2.411 4.552 2.352 9 3 "[ * . - +1]" 2
132 1 37 GLY O 2 38 GLY N 3.000 2.800 3.200 3.577 3.266 5.513 2.313 9 1 "[ . +1]" 2
133 2 37 GLY H 3 36 VAL O 2.000 . 2.200 2.694 2.354 4.193 1.993 3 2 "[ + . - 1]" 2
134 2 37 GLY N 3 36 VAL O 3.000 2.800 3.200 3.334 3.224 3.463 0.263 7 0 "[ . 1]" 2
135 2 37 GLY O 3 38 GLY H 2.000 . 2.200 2.759 2.343 4.891 2.691 3 2 "[ + . - 1]" 2
136 2 37 GLY O 3 38 GLY N 3.000 2.800 3.200 3.574 3.237 5.786 2.586 3 1 "[ + . 1]" 2
137 3 37 GLY H 4 36 VAL O 2.000 . 2.200 2.570 2.257 3.231 1.031 7 2 "[ - . + 1]" 2
138 3 37 GLY N 4 36 VAL O 3.000 2.800 3.200 3.370 3.019 4.044 0.844 3 1 "[ + . 1]" 2
139 3 37 GLY O 4 38 GLY H 2.000 . 2.200 2.605 1.870 4.441 2.241 3 1 "[ + . 1]" 2
140 3 37 GLY O 4 38 GLY N 3.000 2.800 3.200 3.238 2.763 3.476 0.276 3 0 "[ . 1]" 2
141 4 37 GLY H 5 36 VAL O 2.000 . 2.200 2.412 1.973 2.929 0.729 3 2 "[ + . - 1]" 2
142 4 37 GLY N 5 36 VAL O 3.000 2.800 3.200 3.205 2.803 3.304 0.104 4 0 "[ . 1]" 2
143 4 37 GLY O 5 38 GLY H 2.000 . 2.200 2.770 2.374 4.761 2.561 3 2 "[- + . 1]" 2
144 4 37 GLY O 5 38 GLY N 3.000 2.800 3.200 3.566 3.103 5.700 2.500 3 1 "[ + . 1]" 2
145 1 39 VAL H 2 38 GLY O 2.000 . 2.200 2.525 1.414 4.023 1.823 9 1 "[ . +1]" 2
146 1 39 VAL N 2 38 GLY O 3.000 2.800 3.200 3.122 2.257 3.443 0.543 3 1 "[ + . 1]" 2
147 1 39 VAL O 2 40 VAL H 2.000 . 2.200 2.457 1.933 3.830 1.630 3 2 "[ + . -1]" 2
148 1 39 VAL O 2 40 VAL N 3.000 2.800 3.200 3.306 2.779 4.333 1.133 3 2 "[ + . -1]" 2
149 2 39 VAL H 3 38 GLY O 2.000 . 2.200 2.343 1.452 2.632 0.432 8 0 "[ . 1]" 2
150 2 39 VAL N 3 38 GLY O 3.000 2.800 3.200 3.179 2.104 3.448 0.696 7 1 "[ . + 1]" 2
151 2 39 VAL O 3 40 VAL H 2.000 . 2.200 2.236 1.759 2.752 0.552 3 1 "[ + . 1]" 2
152 2 39 VAL O 3 40 VAL N 3.000 2.800 3.200 3.091 2.702 3.498 0.298 9 0 "[ . 1]" 2
153 3 39 VAL H 4 38 GLY O 2.000 . 2.200 2.620 2.376 2.861 0.661 1 3 "[+ - . * 1]" 2
154 3 39 VAL N 4 38 GLY O 3.000 2.800 3.200 3.367 3.204 3.555 0.355 1 0 "[ . 1]" 2
155 3 39 VAL O 4 40 VAL H 2.000 . 2.200 2.218 1.771 2.758 0.558 3 1 "[ + . 1]" 2
156 3 39 VAL O 4 40 VAL N 3.000 2.800 3.200 3.138 2.726 3.632 0.432 3 0 "[ . 1]" 2
157 4 39 VAL H 5 38 GLY O 2.000 . 2.200 2.470 2.245 2.655 0.455 3 0 "[ . 1]" 2
158 4 39 VAL N 5 38 GLY O 3.000 2.800 3.200 3.267 2.825 3.415 0.215 3 0 "[ . 1]" 2
159 4 39 VAL O 5 40 VAL H 2.000 . 2.200 2.092 1.799 2.487 0.287 3 0 "[ . 1]" 2
160 4 39 VAL O 5 40 VAL N 3.000 2.800 3.200 2.890 2.517 3.237 0.283 7 0 "[ . 1]" 2
161 6 10 TYR H 7 9 GLY O 2.000 . 2.200 3.528 2.456 4.544 2.344 8 6 "[- *. *+**]" 2
162 6 10 TYR N 7 9 GLY O 3.000 2.800 3.200 3.914 3.305 5.508 2.308 8 3 "[- . *+ 1]" 2
163 6 10 TYR O 7 11 GLU H 2.000 . 2.200 3.008 2.352 4.035 1.835 8 4 "[* . -+*1]" 2
164 6 10 TYR O 7 11 GLU N 3.000 2.800 3.200 3.354 2.825 4.578 1.378 9 1 "[ . +1]" 2
165 7 10 TYR H 8 9 GLY O 2.000 . 2.200 3.349 2.069 6.401 4.201 8 6 "[* -**+*1]" 2
166 7 10 TYR N 8 9 GLY O 3.000 2.800 3.200 3.704 2.915 5.487 2.287 8 3 "[- . +*1]" 2
167 7 10 TYR O 8 11 GLU H 2.000 . 2.200 3.529 2.399 6.649 4.449 8 5 "[* . *+-*]" 2
168 7 10 TYR O 8 11 GLU N 3.000 2.800 3.200 4.099 3.232 5.772 2.572 8 3 "[- . *+ 1]" 2
169 8 10 TYR H 9 9 GLY O 2.000 . 2.200 3.218 2.537 4.480 2.280 6 6 "[- .+****]" 2
170 8 10 TYR N 9 9 GLY O 3.000 2.800 3.200 3.900 3.235 5.440 2.240 6 4 "[- .+* *1]" 2
171 8 10 TYR O 9 11 GLU H 2.000 . 2.200 3.345 2.429 4.688 2.488 8 6 "[- .**+**]" 2
172 8 10 TYR O 9 11 GLU N 3.000 2.800 3.200 3.930 3.229 5.632 2.432 8 4 "[- . *+ *]" 2
173 9 10 TYR H 10 9 GLY O 2.000 . 2.200 4.232 2.411 5.508 3.308 9 9 [**-*.***+*] 2
174 9 10 TYR N 10 9 GLY O 3.000 2.800 3.200 4.756 3.295 5.591 2.391 2 9 [*+**.-****] 2
175 9 10 TYR O 10 11 GLU H 2.000 . 2.200 3.859 2.388 5.389 3.189 9 8 "[*- *.***+*]" 2
176 9 10 TYR O 10 11 GLU N 3.000 2.800 3.200 3.462 2.857 4.535 1.335 9 2 "[ .- +1]" 2
177 6 12 VAL H 7 11 GLU O 2.000 . 2.200 2.623 1.422 4.301 2.101 8 3 "[- . *+ 1]" 2
178 6 12 VAL N 7 11 GLU O 3.000 2.800 3.200 3.509 2.342 5.256 2.056 8 3 "[- . *+ 1]" 2
179 6 12 VAL O 7 13 HIS H 2.000 . 2.200 2.247 1.936 2.556 0.356 8 0 "[ . 1]" 2
180 6 12 VAL O 7 13 HIS N 3.000 2.800 3.200 3.014 2.668 3.234 0.132 9 0 "[ . 1]" 2
181 7 12 VAL H 8 11 GLU O 2.000 . 2.200 3.260 2.320 4.683 2.483 7 5 "[* .-+* *]" 2
182 7 12 VAL N 8 11 GLU O 3.000 2.800 3.200 3.687 3.209 4.861 1.661 10 3 "[* . - +]" 2
183 7 12 VAL O 8 13 HIS H 2.000 . 2.200 2.382 2.110 3.038 0.838 8 2 "[ . -+ 1]" 2
184 7 12 VAL O 8 13 HIS N 3.000 2.800 3.200 3.050 2.698 3.325 0.125 3 0 "[ . 1]" 2
185 8 12 VAL H 9 11 GLU O 2.000 . 2.200 3.095 2.130 4.796 2.596 10 3 "[ .* -+]" 2
186 8 12 VAL N 9 11 GLU O 3.000 2.800 3.200 3.851 3.080 5.361 2.161 6 3 "[ .+ *-]" 2
187 8 12 VAL O 9 13 HIS H 2.000 . 2.200 2.330 2.028 2.625 0.425 8 0 "[ . 1]" 2
188 8 12 VAL O 9 13 HIS N 3.000 2.800 3.200 3.098 2.680 3.415 0.215 4 0 "[ . 1]" 2
189 9 12 VAL H 10 11 GLU O 2.000 . 2.200 3.973 2.374 6.148 3.948 6 8 "[-* *.+****]" 2
190 9 12 VAL N 10 11 GLU O 3.000 2.800 3.200 4.571 3.115 5.498 2.298 6 8 "[-* *.+****]" 2
191 9 12 VAL O 10 13 HIS H 2.000 . 2.200 2.497 1.858 3.097 0.897 4 2 "[ +. - 1]" 2
192 9 12 VAL O 10 13 HIS N 3.000 2.800 3.200 2.960 2.780 3.291 0.091 8 0 "[ . 1]" 2
193 6 16 LYS O 7 17 LEU H 2.000 . 2.200 2.423 2.097 2.752 0.552 9 1 "[ . +1]" 2
194 6 16 LYS O 7 17 LEU N 3.000 2.800 3.200 3.322 3.072 3.526 0.326 9 0 "[ . 1]" 2
195 6 18 VAL H 7 17 LEU O 2.000 . 2.200 2.715 2.487 2.990 0.790 8 5 "[ -* . *+ *]" 2
196 6 18 VAL N 7 17 LEU O 3.000 2.800 3.200 3.547 3.363 3.743 0.543 8 2 "[ . -+ 1]" 2
197 7 16 LYS O 8 17 LEU H 2.000 . 2.200 2.484 2.325 2.739 0.539 7 1 "[ . + 1]" 2
198 7 16 LYS O 8 17 LEU N 3.000 2.800 3.200 3.389 3.292 3.500 0.300 10 0 "[ . 1]" 2
199 7 18 VAL H 8 17 LEU O 2.000 . 2.200 2.702 2.324 3.137 0.937 8 6 "[****. +-1]" 2
200 7 18 VAL N 8 17 LEU O 3.000 2.800 3.200 3.559 3.218 3.922 0.722 8 1 "[ . + 1]" 2
201 8 16 LYS O 9 17 LEU H 2.000 . 2.200 2.404 2.269 2.620 0.420 10 0 "[ . 1]" 2
202 8 16 LYS O 9 17 LEU N 3.000 2.800 3.200 3.330 3.226 3.508 0.308 10 0 "[ . 1]" 2
203 8 18 VAL H 9 17 LEU O 2.000 . 2.200 2.778 2.601 3.213 1.013 3 6 "[ +** **-]" 2
204 8 18 VAL N 9 17 LEU O 3.000 2.800 3.200 3.617 3.480 3.953 0.753 3 2 "[ + . - 1]" 2
205 9 16 LYS O 10 17 LEU H 2.000 . 2.200 2.971 2.340 4.949 2.749 1 3 "[+ * . -]" 2
206 9 16 LYS O 10 17 LEU N 3.000 2.800 3.200 3.464 3.197 3.999 0.799 1 2 "[+ - . 1]" 2
207 9 18 VAL H 10 17 LEU O 2.000 . 2.200 2.742 2.653 2.852 0.652 10 7 "[ ** *-** +]" 2
208 9 18 VAL N 10 17 LEU O 3.000 2.800 3.200 3.522 3.362 3.693 0.493 10 0 "[ . 1]" 2
209 6 18 VAL O 7 19 PHE H 2.000 . 2.200 2.499 2.326 3.116 0.916 7 2 "[ . +- 1]" 2
210 6 18 VAL O 7 19 PHE N 3.000 2.800 3.200 3.390 3.253 3.848 0.648 7 1 "[ . + 1]" 2
211 6 20 PHE H 7 19 PHE O 2.000 . 2.200 2.827 2.505 3.019 0.819 6 8 "[****-+ **]" 2
212 6 20 PHE N 7 19 PHE O 3.000 2.800 3.200 3.618 3.370 3.732 0.532 6 2 "[- .+ 1]" 2
213 7 18 VAL O 8 19 PHE H 2.000 . 2.200 2.432 2.240 2.576 0.376 8 0 "[ . 1]" 2
214 7 18 VAL O 8 19 PHE N 3.000 2.800 3.200 3.356 3.175 3.492 0.292 8 0 "[ . 1]" 2
215 7 20 PHE H 8 19 PHE O 2.000 . 2.200 2.823 2.611 2.910 0.710 4 9 "[***+*** -*]" 2
216 7 20 PHE N 8 19 PHE O 3.000 2.800 3.200 3.640 3.487 3.731 0.531 10 2 "[ -. +]" 2
217 8 18 VAL O 9 19 PHE H 2.000 . 2.200 2.416 2.293 2.960 0.760 3 1 "[ + . 1]" 2
218 8 18 VAL O 9 19 PHE N 3.000 2.800 3.200 3.335 3.249 3.728 0.528 3 1 "[ + . 1]" 2
219 8 20 PHE H 9 19 PHE O 2.000 . 2.200 2.862 2.619 3.148 0.948 3 9 "[**+**** *-]" 2
220 8 20 PHE N 9 19 PHE O 3.000 2.800 3.200 3.663 3.442 3.893 0.693 3 3 "[ + .*- 1]" 2
221 9 18 VAL O 10 19 PHE H 2.000 . 2.200 2.270 1.848 2.818 0.618 10 1 "[ . +]" 2
222 9 18 VAL O 10 19 PHE N 3.000 2.800 3.200 3.169 2.785 3.670 0.470 10 0 "[ . 1]" 2
223 9 20 PHE H 10 19 PHE O 2.000 . 2.200 2.746 2.431 3.134 0.934 10 7 "[** ***- +]" 2
224 9 20 PHE N 10 19 PHE O 3.000 2.800 3.200 3.531 3.181 3.924 0.724 10 2 "[ - . +]" 2
225 6 20 PHE O 7 21 ALA H 2.000 . 2.200 2.626 2.155 3.211 1.011 10 4 "[ -*.* +]" 2
226 6 20 PHE O 7 21 ALA N 3.000 2.800 3.200 3.452 3.096 3.859 0.659 10 1 "[ . +]" 2
227 6 22 GLU H 7 21 ALA O 2.000 . 2.200 2.735 2.187 3.126 0.926 5 6 "[*- + ***1]" 2
228 6 22 GLU N 7 21 ALA O 3.000 2.800 3.200 3.576 3.039 4.017 0.817 5 4 "[** + -1]" 2
229 7 20 PHE O 8 21 ALA H 2.000 . 2.200 2.516 2.264 2.932 0.732 7 1 "[ . + 1]" 2
230 7 20 PHE O 8 21 ALA N 3.000 2.800 3.200 3.414 3.197 3.674 0.474 7 0 "[ . 1]" 2
231 7 22 GLU H 8 21 ALA O 2.000 . 2.200 2.495 2.233 3.054 0.854 7 2 "[ . +- 1]" 2
232 7 22 GLU N 8 21 ALA O 3.000 2.800 3.200 3.368 3.071 3.810 0.610 7 2 "[ . +- 1]" 2
233 8 20 PHE O 9 21 ALA H 2.000 . 2.200 2.411 2.142 2.520 0.320 10 0 "[ . 1]" 2
234 8 20 PHE O 9 21 ALA N 3.000 2.800 3.200 3.331 3.119 3.429 0.229 10 0 "[ . 1]" 2
235 8 22 GLU H 9 21 ALA O 2.000 . 2.200 2.411 2.235 2.913 0.713 7 1 "[ . + 1]" 2
236 8 22 GLU N 9 21 ALA O 3.000 2.800 3.200 3.280 3.019 3.738 0.538 7 1 "[ . + 1]" 2
237 9 20 PHE O 10 21 ALA H 2.000 . 2.200 2.291 1.931 2.427 0.227 6 0 "[ . 1]" 2
238 9 20 PHE O 10 21 ALA N 3.000 2.800 3.200 3.198 2.877 3.333 0.133 10 0 "[ . 1]" 2
239 9 22 GLU H 10 21 ALA O 2.000 . 2.200 2.327 2.089 2.678 0.478 8 0 "[ . 1]" 2
240 9 22 GLU N 10 21 ALA O 3.000 2.800 3.200 3.209 2.899 3.481 0.281 6 0 "[ . 1]" 2
241 6 31 ILE H 7 30 ALA O 2.000 . 2.200 2.534 2.039 3.329 1.129 10 2 "[ . -+]" 2
242 6 31 ILE N 7 30 ALA O 3.000 2.800 3.200 3.312 2.858 3.634 0.434 10 0 "[ . 1]" 2
243 6 31 ILE O 7 32 ILE H 2.000 . 2.200 2.286 1.853 2.579 0.379 9 0 "[ . 1]" 2
244 6 31 ILE O 7 32 ILE N 3.000 2.800 3.200 3.097 2.604 3.378 0.196 10 0 "[ . 1]" 2
245 7 31 ILE H 8 30 ALA O 2.000 . 2.200 2.445 2.327 2.602 0.402 7 0 "[ . 1]" 2
246 7 31 ILE N 8 30 ALA O 3.000 2.800 3.200 3.280 3.182 3.402 0.202 1 0 "[ . 1]" 2
247 7 31 ILE O 8 32 ILE H 2.000 . 2.200 2.270 1.686 2.484 0.284 1 0 "[ . 1]" 2
248 7 31 ILE O 8 32 ILE N 3.000 2.800 3.200 3.142 2.523 3.352 0.277 7 0 "[ . 1]" 2
249 8 31 ILE H 9 30 ALA O 2.000 . 2.200 2.508 2.382 2.767 0.567 9 1 "[ . +1]" 2
250 8 31 ILE N 9 30 ALA O 3.000 2.800 3.200 3.343 3.082 3.510 0.310 9 0 "[ . 1]" 2
251 8 31 ILE O 9 32 ILE H 2.000 . 2.200 2.469 2.152 2.765 0.565 7 1 "[ . + 1]" 2
252 8 31 ILE O 9 32 ILE N 3.000 2.800 3.200 3.306 2.750 3.601 0.401 7 0 "[ . 1]" 2
253 9 31 ILE H 10 30 ALA O 2.000 . 2.200 2.648 2.392 3.313 1.113 3 4 "[- + . * *]" 2
254 9 31 ILE N 10 30 ALA O 3.000 2.800 3.200 3.436 3.204 4.211 1.011 3 1 "[ + . 1]" 2
255 9 31 ILE O 10 32 ILE H 2.000 . 2.200 2.433 2.003 2.587 0.387 6 0 "[ . 1]" 2
256 9 31 ILE O 10 32 ILE N 3.000 2.800 3.200 3.182 2.451 3.381 0.349 3 0 "[ . 1]" 2
257 6 33 GLY H 7 32 ILE O 2.000 . 2.200 2.374 2.025 2.783 0.583 6 1 "[ .+ 1]" 2
258 6 33 GLY N 7 32 ILE O 3.000 2.800 3.200 3.167 2.796 3.323 0.123 7 0 "[ . 1]" 2
259 6 33 GLY O 7 34 LEU H 2.000 . 2.200 2.641 2.041 4.266 2.066 10 2 "[ - . +]" 2
260 6 33 GLY O 7 34 LEU N 3.000 2.800 3.200 3.475 2.630 5.241 2.041 10 1 "[ . +]" 2
261 7 33 GLY H 8 32 ILE O 2.000 . 2.200 2.351 1.986 2.646 0.446 7 0 "[ . 1]" 2
262 7 33 GLY N 8 32 ILE O 3.000 2.800 3.200 3.207 2.784 3.287 0.087 1 0 "[ . 1]" 2
263 7 33 GLY O 8 34 LEU H 2.000 . 2.200 2.329 1.821 2.490 0.290 6 0 "[ . 1]" 2
264 7 33 GLY O 8 34 LEU N 3.000 2.800 3.200 3.187 2.539 3.375 0.261 7 0 "[ . 1]" 2
265 8 33 GLY H 9 32 ILE O 2.000 . 2.200 2.341 2.281 2.431 0.231 9 0 "[ . 1]" 2
266 8 33 GLY N 9 32 ILE O 3.000 2.800 3.200 3.212 2.935 3.285 0.085 1 0 "[ . 1]" 2
267 8 33 GLY O 9 34 LEU H 2.000 . 2.200 2.448 2.115 2.793 0.593 7 1 "[ . + 1]" 2
268 8 33 GLY O 9 34 LEU N 3.000 2.800 3.200 3.296 2.788 3.612 0.412 7 0 "[ . 1]" 2
269 9 33 GLY H 10 32 ILE O 2.000 . 2.200 2.369 2.253 2.672 0.472 7 0 "[ . 1]" 2
270 9 33 GLY N 10 32 ILE O 3.000 2.800 3.200 3.138 2.655 3.237 0.145 3 0 "[ . 1]" 2
271 9 33 GLY O 10 34 LEU H 2.000 . 2.200 2.418 2.063 2.527 0.327 3 0 "[ . 1]" 2
272 9 33 GLY O 10 34 LEU N 3.000 2.800 3.200 3.157 2.575 3.336 0.225 7 0 "[ . 1]" 2
273 6 35 MET H 7 34 LEU O 2.000 . 2.200 2.617 2.189 4.132 1.932 10 2 "[ .- +]" 2
274 6 35 MET N 7 34 LEU O 3.000 2.800 3.200 3.280 2.824 3.535 0.335 7 0 "[ . 1]" 2
275 6 35 MET O 7 36 VAL H 2.000 . 2.200 2.639 2.277 4.429 2.229 10 2 "[ . - +]" 2
276 6 35 MET O 7 36 VAL N 3.000 2.800 3.200 3.444 2.669 5.353 2.153 10 2 "[ . - +]" 2
277 7 35 MET H 8 34 LEU O 2.000 . 2.200 2.461 2.303 2.749 0.549 7 1 "[ . + 1]" 2
278 7 35 MET N 8 34 LEU O 3.000 2.800 3.200 3.294 3.199 3.411 0.211 10 0 "[ . 1]" 2
279 7 35 MET O 8 36 VAL H 2.000 . 2.200 2.446 2.023 2.971 0.771 3 1 "[ + . 1]" 2
280 7 35 MET O 8 36 VAL N 3.000 2.800 3.200 3.279 2.596 3.583 0.383 3 0 "[ . 1]" 2
281 8 35 MET H 9 34 LEU O 2.000 . 2.200 2.287 1.897 2.404 0.204 2 0 "[ . 1]" 2
282 8 35 MET N 9 34 LEU O 3.000 2.800 3.200 3.176 2.607 3.288 0.193 3 0 "[ . 1]" 2
283 8 35 MET O 9 36 VAL H 2.000 . 2.200 2.455 2.131 2.961 0.761 7 1 "[ . + 1]" 2
284 8 35 MET O 9 36 VAL N 3.000 2.800 3.200 3.297 2.784 3.759 0.559 7 1 "[ . + 1]" 2
285 9 35 MET H 10 34 LEU O 2.000 . 2.200 2.340 2.229 2.697 0.497 7 0 "[ . 1]" 2
286 9 35 MET N 10 34 LEU O 3.000 2.800 3.200 3.101 2.690 3.190 0.110 3 0 "[ . 1]" 2
287 9 35 MET O 10 36 VAL H 2.000 . 2.200 2.554 2.285 3.790 1.590 3 1 "[ + . 1]" 2
288 9 35 MET O 10 36 VAL N 3.000 2.800 3.200 3.283 2.841 3.730 0.530 3 1 "[ + . 1]" 2
289 6 37 GLY H 7 36 VAL O 2.000 . 2.200 2.611 1.652 4.300 2.100 10 3 "[ .*- +]" 2
290 6 37 GLY N 7 36 VAL O 3.000 2.800 3.200 3.241 2.295 3.650 0.505 3 1 "[ + . 1]" 2
291 6 37 GLY O 7 38 GLY H 2.000 . 2.200 3.246 1.851 6.810 4.610 3 3 "[ + .-* 1]" 2
292 6 37 GLY O 7 38 GLY N 3.000 2.800 3.200 3.695 2.321 5.896 2.696 3 2 "[ + .- 1]" 2
293 7 37 GLY H 8 36 VAL O 2.000 . 2.200 2.452 1.973 2.849 0.649 7 1 "[ . + 1]" 2
294 7 37 GLY N 8 36 VAL O 3.000 2.800 3.200 3.272 2.784 3.449 0.249 6 0 "[ . 1]" 2
295 7 37 GLY O 8 38 GLY H 2.000 . 2.200 3.137 2.348 7.066 4.866 3 2 "[ + . - 1]" 2
296 7 37 GLY O 8 38 GLY N 3.000 2.800 3.200 3.828 3.232 6.107 2.907 3 2 "[ + . - 1]" 2
297 8 37 GLY H 9 36 VAL O 2.000 . 2.200 2.406 2.202 2.662 0.462 7 0 "[ . 1]" 2
298 8 37 GLY N 9 36 VAL O 3.000 2.800 3.200 3.271 2.881 3.600 0.400 7 0 "[ . 1]" 2
299 8 37 GLY O 9 38 GLY H 2.000 . 2.200 3.173 2.332 7.133 4.933 3 2 "[ + . - 1]" 2
300 8 37 GLY O 9 38 GLY N 3.000 2.800 3.200 3.673 3.228 6.189 2.989 3 2 "[ + . - 1]" 2
301 9 37 GLY H 10 36 VAL O 2.000 . 2.200 2.685 2.298 4.849 2.649 3 2 "[ + . - 1]" 2
302 9 37 GLY N 10 36 VAL O 3.000 2.800 3.200 3.487 3.196 5.497 2.297 3 1 "[ + . 1]" 2
303 9 37 GLY O 10 38 GLY H 2.000 . 2.200 3.033 2.352 6.223 4.023 3 2 "[ + . - 1]" 2
304 9 37 GLY O 10 38 GLY N 3.000 2.800 3.200 3.715 3.212 5.293 2.093 7 2 "[ - . + 1]" 2
305 6 39 VAL H 7 38 GLY O 2.000 . 2.200 3.013 2.443 6.455 4.255 3 3 "[ + .*- 1]" 2
306 6 39 VAL N 7 38 GLY O 3.000 2.800 3.200 3.562 2.898 5.492 2.292 3 1 "[ + . 1]" 2
307 6 39 VAL O 7 40 VAL H 2.000 . 2.200 2.291 1.778 2.896 0.696 3 1 "[ + . 1]" 2
308 6 39 VAL O 7 40 VAL N 3.000 2.800 3.200 3.156 2.703 3.867 0.667 3 1 "[ + . 1]" 2
309 7 39 VAL H 8 38 GLY O 2.000 . 2.200 2.868 1.634 6.970 4.770 3 2 "[ + . - 1]" 2
310 7 39 VAL N 8 38 GLY O 3.000 2.800 3.200 3.550 2.579 6.020 2.820 3 1 "[ + . 1]" 2
311 7 39 VAL O 8 40 VAL H 2.000 . 2.200 2.233 1.840 2.727 0.527 3 1 "[ + . 1]" 2
312 7 39 VAL O 8 40 VAL N 3.000 2.800 3.200 3.056 2.731 3.354 0.154 3 0 "[ . 1]" 2
313 8 39 VAL H 9 38 GLY O 2.000 . 2.200 2.909 2.361 6.886 4.686 3 1 "[ + . 1]" 2
314 8 39 VAL N 9 38 GLY O 3.000 2.800 3.200 3.564 3.210 5.917 2.717 3 1 "[ + . 1]" 2
315 8 39 VAL O 9 40 VAL H 2.000 . 2.200 2.281 2.000 3.181 0.981 3 1 "[ + . 1]" 2
316 8 39 VAL O 9 40 VAL N 3.000 2.800 3.200 3.096 2.593 3.668 0.468 3 0 "[ . 1]" 2
317 9 39 VAL H 10 38 GLY O 2.000 . 2.200 2.859 2.354 6.463 4.263 3 1 "[ + . 1]" 2
318 9 39 VAL N 10 38 GLY O 3.000 2.800 3.200 3.524 3.250 5.570 2.370 3 1 "[ + . 1]" 2
319 9 39 VAL O 10 40 VAL H 2.000 . 2.200 2.374 1.960 3.659 1.459 3 1 "[ + . 1]" 2
320 9 39 VAL O 10 40 VAL N 3.000 2.800 3.200 3.162 2.725 3.833 0.633 3 1 "[ + . 1]" 2
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