NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
414960 |
2cxj   |
6484 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2cxj
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 1689
_Distance_constraint_stats_list.Viol_count 5229
_Distance_constraint_stats_list.Viol_total 26395.293
_Distance_constraint_stats_list.Viol_max 4.578
_Distance_constraint_stats_list.Viol_rms 0.1727
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0391
_Distance_constraint_stats_list.Viol_average_violations_only 0.2524
_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 6.940 0.453 12 0 "[ . 1 . 2]"
1 2 ALA 15.858 0.801 2 10 "[*+ .* **1 *- .* * *]"
1 3 ALA 80.663 4.578 10 20 [*********+***-******]
1 4 GLU 32.490 1.655 3 16 "[**+** ***** ** *-**]"
1 5 THR 59.334 1.906 10 19 "[*********+*-****** *]"
1 6 LEU 13.760 2.004 15 2 "[ . 1 + - 2]"
1 7 THR 22.362 0.405 2 0 "[ . 1 . 2]"
1 8 GLU 16.642 0.266 17 0 "[ . 1 . 2]"
1 9 LEU 17.190 0.463 2 0 "[ . 1 . 2]"
1 10 GLU 58.118 1.906 10 19 "[*-*******+******** *]"
1 11 ALA 17.253 2.004 15 3 "[ .- 1 + * 2]"
1 12 ALA 2.200 0.718 15 1 "[ . 1 + 2]"
1 13 ILE 8.562 0.441 12 0 "[ . 1 . 2]"
1 14 GLU 12.649 0.796 6 4 "[ - .+* 1 * 2]"
1 15 THR 19.879 0.796 6 8 "[* .+ ** * -** 2]"
1 16 VAL 13.754 0.516 6 1 "[ .+ 1 . 2]"
1 17 VAL 13.516 0.850 16 1 "[ . 1 .+ 2]"
1 18 SER 7.201 0.516 6 1 "[ .+ 1 . 2]"
1 19 THR 22.837 1.198 17 17 "[*** * **** *-***+***]"
1 20 PHE 48.496 2.073 11 20 [**********+**-******]
1 21 PHE 114.413 1.545 18 20 [*****************+*-]
1 22 THR 49.947 1.545 18 20 [**********-******+**]
1 23 PHE 69.213 1.496 14 20 [*************+*****-]
1 24 ALA 13.888 0.793 13 4 "[ ** . 1 +-. 2]"
1 25 GLY 21.447 1.720 3 18 "[*-+********* *** ***]"
1 26 ARG 5.803 0.907 13 2 "[ -. 1 + . 2]"
1 27 GLU 13.826 0.957 8 5 "[ .- +*1 * * 2]"
1 28 GLY 14.845 0.677 2 2 "[ + .- 1 . 2]"
1 29 ARG 16.798 0.998 8 5 "[- .* + 1 . **2]"
1 30 LYS 11.980 0.958 7 3 "[ . + 1 * . - 2]"
1 31 GLY 35.473 1.720 3 20 [**+**-**************]
1 32 SER 15.779 0.677 2 1 "[ + . 1 . 2]"
1 33 LEU 28.700 1.268 15 10 "[* *- **1 * + ** *]"
1 34 ASN 40.026 1.450 15 15 "[***** * *** *-+ ** *]"
1 35 ILE 22.537 0.790 18 1 "[ . 1 . + 2]"
1 36 ASN 15.138 1.210 14 14 "[***-.** 1***+**** 2]"
1 37 GLU 34.165 0.904 20 9 "[ .*** 1-**** +]"
1 38 PHE 46.159 1.306 14 4 "[ .* 1 *+. - 2]"
1 39 LYS 31.832 0.609 14 15 "[****.** ***-+**** 2]"
1 40 GLU 32.098 0.904 20 13 "[* *.*** * *-*** * +]"
1 41 LEU 32.115 1.160 18 20 [*************-***+**]
1 42 ALA 33.378 0.771 16 19 "[***-***********+** *]"
1 43 THR 63.084 0.941 6 20 [*****+***********-**]
1 44 GLN 30.136 1.855 9 8 "[*- . * +* * .* * 2]"
1 45 GLN 21.296 2.073 11 7 "[* . * 1+ -*.* *]"
1 46 LEU 31.711 0.801 2 3 "[ + . -1 . *]"
1 47 PRO 12.694 0.998 8 4 "[- . + 1 . **2]"
1 48 HIS 13.169 0.915 12 4 "[ * . 1 + .- *]"
1 49 LEU 0.134 0.093 7 0 "[ . 1 . 2]"
1 50 LEU 1.055 0.171 4 0 "[ . 1 . 2]"
1 51 LYS 37.446 0.998 8 15 "[***-.**+ 1** ******2]"
1 52 ASP 84.310 4.578 10 20 [***-*****+**********]
1 53 VAL 27.515 0.887 20 8 "[ **. *1-* . **+]"
1 54 GLY 10.554 0.882 4 5 "[ - +. * 1* . * 2]"
1 55 SER 3.941 0.293 4 0 "[ . 1 . 2]"
1 56 LEU 10.396 0.372 19 0 "[ . 1 . 2]"
1 57 ASP 13.842 0.348 6 0 "[ . 1 . 2]"
1 58 GLU 14.043 0.645 4 1 "[ +. 1 . 2]"
1 59 LYS 77.213 1.655 3 18 "[**+-******** ** ****]"
1 60 MET 26.367 0.645 4 1 "[ +. 1 . 2]"
1 61 LYS 20.952 0.420 8 0 "[ . 1 . 2]"
1 62 THR 23.651 0.882 4 3 "[ +. 1* . - 2]"
1 63 LEU 19.820 0.570 8 1 "[ . + 1 . 2]"
1 64 ASP 0.061 0.030 3 0 "[ . 1 . 2]"
1 65 VAL 3.489 0.378 18 0 "[ . 1 . 2]"
1 66 ASN 4.819 1.343 11 2 "[ . - 1+ . 2]"
1 67 GLN 27.382 0.957 4 10 "[ -*+* 1* **** *]"
1 68 ASP 38.227 1.746 15 20 [**************+****-]
1 69 SER 24.824 1.636 5 8 "[* -*+* 1* .* * 2]"
1 70 GLU 18.327 0.803 2 2 "[ + . 1 . - 2]"
1 71 LEU 104.219 1.746 15 20 [************-*+*****]
1 72 ARG 12.519 0.358 8 0 "[ . 1 . 2]"
1 73 PHE 73.056 2.687 19 20 [*********-********+*]
1 74 SER 49.062 1.171 20 20 [***********-*******+]
1 75 GLU 71.792 1.384 12 20 [***********+*****-**]
1 76 TYR 52.444 1.496 14 19 "[************-+*** **]"
1 77 TRP 45.084 2.004 15 8 "[ *** 1* *+ *- 2]"
1 78 ARG 33.647 0.754 17 4 "[ * . 1 *. +- 2]"
1 79 LEU 63.177 2.004 15 13 "[* ***- **1* *+*** 2]"
1 80 ILE 43.963 1.231 15 20 [**********-***+*****]
1 81 GLY 3.503 0.466 6 0 "[ . 1 . 2]"
1 82 GLU 29.885 0.502 18 1 "[ . 1 . + 2]"
1 83 LEU 13.902 0.402 5 0 "[ . 1 . 2]"
1 84 ALA 34.726 2.073 11 6 "[ * * 1+ -. **2]"
1 85 LYS 33.668 2.073 11 6 "[ * * 1+ -. **2]"
1 86 GLU 24.783 0.882 4 3 "[ +. 1* . - 2]"
1 87 VAL 38.858 0.941 6 20 [*****+************-*]
1 88 ARG 24.309 0.941 6 20 [*****+************-*]
1 89 LYS 17.591 1.160 18 4 "[ * 1 -. +*2]"
1 90 GLU 41.204 0.941 6 20 [*****+************-*]
1 92 ALA 37.689 1.663 5 20 [****+-**************]
1 93 LEU 13.387 0.912 10 3 "[- .* + . 2]"
1 94 GLY 27.780 1.720 3 10 "[ *+*.* *1-* *. **2]"
1 95 ILE 56.462 1.663 5 20 [****+*********-*****]
1 96 ARG 11.263 0.912 10 3 "[- .* + . 2]"
1 97 LYS 62.810 2.687 19 20 [-*****************+*]
1 98 LYS 20.349 1.401 8 11 "[ **. +*1-* ** ***]"
2 1 MET 28.281 0.940 1 20 [+****************-**]
2 2 ALA 16.426 0.801 2 10 "[*+ .* **1 *- .* * *]"
2 3 ALA 92.419 4.578 10 20 [-********+**********]
2 4 GLU 31.443 1.655 3 16 "[-*+** ***** ** ****]"
2 5 THR 25.445 0.779 10 6 "[* . *+ - .** 2]"
2 6 LEU 19.098 2.004 15 4 "[ * . -1 + * 2]"
2 7 THR 32.742 1.855 9 4 "[- . +1 * .* 2]"
2 8 GLU 8.996 0.266 17 0 "[ . 1 . 2]"
2 9 LEU 13.081 0.402 5 0 "[ . 1 . 2]"
2 10 GLU 32.725 0.779 10 8 "[*- . * *+ * .** 2]"
2 11 ALA 12.980 2.004 15 2 "[ . 1 + - 2]"
2 12 ALA 2.436 0.718 15 1 "[ . 1 + 2]"
2 13 ILE 7.903 0.441 12 0 "[ . 1 . 2]"
2 14 GLU 11.367 0.718 15 3 "[ - . * 1 + 2]"
2 15 THR 18.098 0.718 15 1 "[ . 1 + 2]"
2 16 VAL 18.373 0.516 6 1 "[ .+ 1 . 2]"
2 17 VAL 13.516 0.850 16 1 "[ . 1 .+ 2]"
2 18 SER 7.201 0.516 6 1 "[ .+ 1 . 2]"
2 19 THR 34.739 1.198 17 20 [***-************+***]
2 20 PHE 53.299 2.073 11 20 [***-******+*********]
2 21 PHE 92.447 1.545 18 20 [*****************+*-]
2 22 THR 39.642 1.545 18 20 [**********-******+**]
2 23 PHE 71.084 1.496 14 19 "[********** **+*****-]"
2 24 ALA 12.038 0.793 13 4 "[ ** . 1 +-. 2]"
2 25 GLY 36.199 1.720 3 20 [**+**************-**]
2 26 ARG 6.216 0.907 13 2 "[ -. 1 + . 2]"
2 27 GLU 21.029 0.957 8 8 "[* *- +*1 * ** 2]"
2 28 GLY 14.845 0.677 2 2 "[ + .- 1 . 2]"
2 29 ARG 21.718 1.202 14 6 "[- .* * 1 +. **2]"
2 30 LYS 11.744 0.958 7 3 "[ . + 1 * . * 2]"
2 31 GLY 39.606 1.720 3 20 [**+**-**************]
2 32 SER 16.124 0.677 2 1 "[ + . 1 . 2]"
2 33 LEU 28.150 1.268 15 10 "[* *- **1 * + ** *]"
2 34 ASN 50.476 1.450 15 18 "[***** *******-+ ****]"
2 35 ILE 32.064 0.907 13 16 "[***** ***1**+ - ****]"
2 36 ASN 15.192 1.210 14 14 "[***-.** 1***+**** 2]"
2 37 GLU 39.381 0.904 20 12 "[* **** 1-**** * +]"
2 38 PHE 46.516 1.306 14 4 "[ .* 1 *+. - 2]"
2 39 LYS 17.596 0.609 14 13 "[***-.** 1** +**** 2]"
2 40 GLU 39.869 0.904 20 16 "[* **.****1-***** **+]"
2 41 LEU 20.661 1.160 18 4 "[ * 1 -. +*2]"
2 42 ALA 25.454 0.771 16 9 "[* .* **1 *- .+ * *]"
2 43 THR 28.257 0.624 19 8 "[ **.* *1-* . *+2]"
2 44 GLN 18.619 1.855 9 4 "[- . +1 * .* 2]"
2 45 GLN 23.542 2.073 11 8 "[* . * 1+*-*.* *]"
2 46 LEU 27.959 0.801 2 3 "[ + . -1 . *]"
2 47 PRO 18.398 0.998 8 4 "[- . + 1 . **2]"
2 48 HIS 20.110 0.915 12 4 "[ * . 1 + .- *]"
2 49 LEU 3.767 0.392 17 0 "[ . 1 . 2]"
2 50 LEU 8.389 0.311 19 0 "[ . 1 . 2]"
2 51 LYS 57.199 1.855 9 16 "[***-.***+1** ******2]"
2 52 ASP 89.515 4.578 10 20 [***-*****+**********]
2 53 VAL 28.950 0.887 20 9 "[ **. **** . -*+]"
2 54 GLY 15.568 1.470 4 3 "[ +. 1* . - 2]"
2 55 SER 4.094 0.293 4 0 "[ . 1 . 2]"
2 56 LEU 11.484 0.372 19 0 "[ . 1 . 2]"
2 57 ASP 20.458 0.373 20 0 "[ . 1 . 2]"
2 58 GLU 29.638 0.682 1 6 "[+ *. * * .* - 2]"
2 59 LYS 65.332 1.655 3 19 "[**+** ****-*********]"
2 60 MET 22.130 0.645 4 1 "[ +. 1 . 2]"
2 61 LYS 29.790 0.808 11 6 "[ *. * *+ . *-]"
2 62 THR 17.367 0.882 4 3 "[ +. 1* . - 2]"
2 63 LEU 11.134 0.570 8 1 "[ . + 1 . 2]"
2 64 ASP 1.927 0.445 7 0 "[ . 1 . 2]"
2 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 66 ASN 3.476 0.570 8 1 "[ . + 1 . 2]"
2 67 GLN 15.285 0.941 20 8 "[ -**. 1* *.** +]"
2 68 ASP 29.987 1.746 15 20 [***-**********+*****]
2 69 SER 16.665 1.798 15 2 "[ . 1 + - 2]"
2 70 GLU 18.820 0.887 20 1 "[ . 1 . +]"
2 71 LEU 87.061 1.746 15 20 [************-*+*****]
2 72 ARG 16.039 0.887 20 1 "[ . 1 . +]"
2 73 PHE 75.426 2.687 19 20 [******-***********+*]
2 74 SER 43.524 1.171 20 20 [***********-*******+]
2 75 GLU 58.269 1.384 12 20 [***********+*****-**]
2 76 TYR 56.308 1.496 14 20 [************-+******]
2 77 TRP 54.423 2.004 15 6 "[ * . 1* *+ *- 2]"
2 78 ARG 26.224 0.754 17 5 "[ **. 1 *. +- 2]"
2 79 LEU 48.023 2.004 15 8 "[ **.- * 1 *+ ** 2]"
2 80 ILE 20.986 1.231 15 3 "[ . 1- + * 2]"
2 81 GLY 1.731 0.223 20 0 "[ . 1 . 2]"
2 82 GLU 38.009 0.516 6 1 "[ .+ 1 . 2]"
2 83 LEU 18.160 0.516 6 1 "[ .+ 1 . 2]"
2 84 ALA 39.872 0.451 2 0 "[ . 1 . 2]"
2 85 LYS 32.215 2.073 11 6 "[ * * 1+ -. **2]"
2 86 GLU 35.909 0.882 4 5 "[ +.* 1*- . * 2]"
2 87 VAL 36.549 1.107 13 18 "[******-*****+*.** **]"
2 88 ARG 6.989 0.882 4 3 "[ +. 1* . - 2]"
2 89 LYS 10.313 0.473 2 0 "[ . 1 . 2]"
2 90 GLU 15.287 0.882 4 5 "[ +.* 1*- . * 2]"
2 92 ALA 29.130 1.663 5 20 [-***+***************]
2 93 LEU 5.079 0.206 1 0 "[ . 1 . 2]"
2 94 GLY 32.369 1.720 3 10 "[ *+*.* *1-* *. **2]"
2 95 ILE 50.664 1.663 5 20 [****+*********-*****]
2 96 ARG 12.397 0.404 19 0 "[ . 1 . 2]"
2 97 LYS 62.540 2.687 19 20 [-*****************+*]
2 98 LYS 20.349 1.401 8 11 "[ **. +*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 45 GLN QE 2 8 GLU QG 3.000 . 6.000 4.965 3.999 5.451 . 0 0 "[ . 1 . 2]" 1
2 1 39 LYS QG 1 41 LEU HG 2.400 . 6.000 5.682 5.507 5.766 . 0 0 "[ . 1 . 2]" 1
3 1 5 THR MG 2 51 LYS QG 4.200 . 6.000 4.035 3.456 4.973 . 0 0 "[ . 1 . 2]" 1
4 1 38 PHE QD 1 43 THR HG1 3.400 . 6.000 5.838 5.705 5.994 . 0 0 "[ . 1 . 2]" 1
5 1 7 THR MG 2 41 LEU HG 2.500 . 6.000 3.960 3.452 4.451 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET QG 2 41 LEU HG 3.100 . 6.000 5.117 4.498 5.429 . 0 0 "[ . 1 . 2]" 1
7 1 25 GLY H 1 25 GLY QA 2.800 . 3.800 1.946 1.930 1.956 . 0 0 "[ . 1 . 2]" 1
8 1 30 LYS HA 1 31 GLY H 3.400 . 4.800 2.404 2.206 3.003 . 0 0 "[ . 1 . 2]" 1
9 1 31 GLY H 1 73 PHE HB2 4.200 . 6.000 4.723 4.254 5.662 . 0 0 "[ . 1 . 2]" 1
10 1 31 GLY H 1 72 ARG HG2 2.800 . 3.600 2.944 2.337 3.505 . 0 0 "[ . 1 . 2]" 1
11 1 25 GLY QA 1 31 GLY H 2.400 . 6.000 6.071 5.286 7.720 1.720 3 3 "[ + . 1 *. - 2]" 1
12 1 31 GLY H 1 32 SER H 2.600 . 3.000 2.693 2.216 3.092 0.092 14 0 "[ . 1 . 2]" 1
13 1 32 SER H 1 68 ASP HA 3.600 . 6.000 5.876 5.598 6.140 0.140 2 0 "[ . 1 . 2]" 1
14 1 32 SER H 2 97 LYS QE 3.400 . 6.000 5.551 4.596 5.915 . 0 0 "[ . 1 . 2]" 1
15 1 43 THR H 1 43 THR HB 2.700 . 3.600 3.115 3.078 3.156 . 0 0 "[ . 1 . 2]" 1
16 1 43 THR H 1 44 GLN HB2 3.300 . 4.700 3.992 3.547 4.329 . 0 0 "[ . 1 . 2]" 1
17 1 43 THR H 1 44 GLN H 2.200 . 2.700 2.607 2.523 2.720 0.020 4 0 "[ . 1 . 2]" 1
18 1 43 THR H 1 43 THR HA 2.300 . 2.800 2.460 2.438 2.486 . 0 0 "[ . 1 . 2]" 1
19 1 42 ALA HA 1 43 THR H 2.600 . 3.300 3.089 3.066 3.112 . 0 0 "[ . 1 . 2]" 1
20 1 1 MET HB2 2 43 THR H 3.000 . 4.100 3.028 2.794 3.415 . 0 0 "[ . 1 . 2]" 1
21 1 61 LYS H 1 62 THR H 2.200 . 2.800 2.337 2.129 2.615 . 0 0 "[ . 1 . 2]" 1
22 1 62 THR H 1 63 LEU H 2.100 . 2.700 2.476 2.374 2.648 . 0 0 "[ . 1 . 2]" 1
23 1 61 LYS HB2 1 62 THR H 2.100 . 2.400 2.322 1.932 2.726 0.326 1 0 "[ . 1 . 2]" 1
24 1 62 THR H 1 62 THR HB 2.800 . 3.800 2.357 2.260 2.422 . 0 0 "[ . 1 . 2]" 1
25 1 61 LYS HD2 1 62 THR H 3.000 . 4.200 3.737 3.339 3.991 . 0 0 "[ . 1 . 2]" 1
26 1 62 THR H 1 62 THR HG1 2.000 . 2.500 1.728 1.665 1.844 . 0 0 "[ . 1 . 2]" 1
27 1 67 GLN QE 1 73 PHE QE 3.600 . 6.000 5.031 3.566 5.775 . 0 0 "[ . 1 . 2]" 1
28 1 67 GLN QE 1 67 GLN QG 3.400 . 4.800 2.214 2.011 2.691 . 0 0 "[ . 1 . 2]" 1
29 1 7 THR H 2 86 GLU HB2 3.500 . 5.000 4.015 3.413 4.721 . 0 0 "[ . 1 . 2]" 1
30 1 67 GLN HA 1 67 GLN QE 4.200 . 6.000 3.973 3.387 4.401 . 0 0 "[ . 1 . 2]" 1
31 1 5 THR HA 1 7 THR H 3.200 . 4.400 3.167 2.712 3.430 . 0 0 "[ . 1 . 2]" 1
32 1 6 LEU QB 1 7 THR H 2.700 . 3.600 3.258 2.901 3.502 . 0 0 "[ . 1 . 2]" 1
33 1 7 THR H 1 7 THR MG 2.800 . 3.700 2.984 2.384 3.256 . 0 0 "[ . 1 . 2]" 1
34 1 6 LEU HA 1 7 THR H 2.200 . 2.700 1.963 1.842 2.127 . 0 0 "[ . 1 . 2]" 1
35 1 45 GLN H 1 46 LEU HB2 3.300 . 4.700 3.985 3.582 5.428 0.728 20 1 "[ . 1 . +]" 1
36 1 42 ALA HA 1 45 GLN H 3.200 . 4.500 3.174 2.942 3.377 . 0 0 "[ . 1 . 2]" 1
37 1 45 GLN H 1 46 LEU H 2.200 . 2.200 2.217 2.025 2.338 0.138 15 0 "[ . 1 . 2]" 1
38 1 41 LEU HA 1 45 GLN H 2.800 . 3.800 2.906 2.836 2.970 . 0 0 "[ . 1 . 2]" 1
39 1 45 GLN H 1 45 GLN HG2 . . 2.400 2.255 1.805 2.508 0.108 15 0 "[ . 1 . 2]" 1
40 1 1 MET QG 2 45 GLN H 3.300 . 6.000 4.755 4.269 5.059 . 0 0 "[ . 1 . 2]" 1
41 1 45 GLN H 1 46 LEU HG 3.300 . 4.700 4.634 3.356 4.820 0.120 8 0 "[ . 1 . 2]" 1
42 1 74 SER H 1 76 TYR HA 2.700 . 6.000 5.916 5.784 6.191 0.191 18 0 "[ . 1 . 2]" 1
43 1 73 PHE QD 1 74 SER H 2.500 . 3.300 2.213 1.693 2.404 0.307 12 0 "[ . 1 . 2]" 1
44 1 74 SER H 1 75 GLU H 2.400 . 2.600 1.868 1.699 2.148 0.001 10 0 "[ . 1 . 2]" 1
45 1 41 LEU QB 1 45 GLN QE 3.800 . 5.600 2.414 1.674 3.124 0.326 15 0 "[ . 1 . 2]" 1
46 1 45 GLN QE 2 1 MET QB 3.400 . 6.000 5.145 4.464 5.534 . 0 0 "[ . 1 . 2]" 1
47 1 67 GLN H 1 68 ASP H 2.600 . 2.800 2.417 2.122 2.618 . 0 0 "[ . 1 . 2]" 1
48 1 67 GLN H 1 69 SER H 3.200 . 4.100 3.502 3.239 3.875 . 0 0 "[ . 1 . 2]" 1
49 1 65 VAL HB 1 67 GLN H 3.200 . 4.500 4.255 4.039 4.433 . 0 0 "[ . 1 . 2]" 1
50 1 66 ASN H 1 66 ASN HA 2.400 . 2.800 2.572 2.560 2.581 . 0 0 "[ . 1 . 2]" 1
51 1 66 ASN H 1 66 ASN QB 2.500 . 3.100 2.214 1.985 2.460 . 0 0 "[ . 1 . 2]" 1
52 1 5 THR H 2 51 LYS QG 2.700 . 3.600 3.621 3.173 3.795 0.195 16 0 "[ . 1 . 2]" 1
53 1 38 PHE HB2 1 69 SER H 2.900 . 6.000 5.340 4.796 5.776 . 0 0 "[ . 1 . 2]" 1
54 1 68 ASP H 1 69 SER H 2.200 . 2.800 2.508 2.226 2.806 0.006 15 0 "[ . 1 . 2]" 1
55 1 69 SER H 1 69 SER HB2 2.400 . 3.100 2.375 2.170 2.699 . 0 0 "[ . 1 . 2]" 1
56 1 20 PHE H 1 21 PHE H 2.300 . 3.000 2.099 1.985 2.211 . 0 0 "[ . 1 . 2]" 1
57 1 67 GLN QG 1 69 SER H 2.900 . 6.000 3.881 3.614 4.202 . 0 0 "[ . 1 . 2]" 1
58 1 69 SER H 1 70 GLU H 2.300 . 3.000 2.410 2.258 2.471 . 0 0 "[ . 1 . 2]" 1
59 1 68 ASP HA 1 69 SER H 2.700 . 3.600 2.629 2.482 2.736 . 0 0 "[ . 1 . 2]" 1
60 1 17 VAL HA 1 21 PHE H 3.000 . 3.800 3.175 2.902 3.415 . 0 0 "[ . 1 . 2]" 1
61 1 21 PHE H 1 21 PHE QB 2.200 . 2.800 2.137 1.943 2.273 . 0 0 "[ . 1 . 2]" 1
62 1 24 ALA HA 1 69 SER H 2.900 . 6.000 5.250 4.602 5.870 . 0 0 "[ . 1 . 2]" 1
63 1 21 PHE H 1 21 PHE HA 2.400 . 3.100 2.309 2.201 2.359 . 0 0 "[ . 1 . 2]" 1
64 1 8 GLU HG2 2 21 PHE H 3.300 . 4.700 4.670 4.487 4.916 0.216 17 0 "[ . 1 . 2]" 1
65 1 69 SER H 1 78 ARG HG2 3.900 . 5.800 4.203 3.488 4.822 . 0 0 "[ . 1 . 2]" 1
66 1 84 ALA H 1 85 LYS H 2.300 . 3.000 2.229 2.065 2.357 . 0 0 "[ . 1 . 2]" 1
67 1 21 PHE H 2 8 GLU HB2 3.100 . 4.300 4.152 3.977 4.352 0.052 18 0 "[ . 1 . 2]" 1
68 1 7 THR MG 2 85 LYS H 2.900 . 6.000 5.008 4.558 5.370 . 0 0 "[ . 1 . 2]" 1
69 1 35 ILE H 1 35 ILE HA 2.300 . 2.900 2.546 2.521 2.569 . 0 0 "[ . 1 . 2]" 1
70 1 35 ILE H 1 35 ILE HB 2.400 . 3.300 3.305 3.202 3.474 0.174 11 0 "[ . 1 . 2]" 1
71 1 27 GLU H 1 37 GLU H 3.100 . 6.000 5.760 5.583 6.059 0.059 17 0 "[ . 1 . 2]" 1
72 1 34 ASN QB 1 35 ILE H 2.500 . 3.300 1.857 1.752 2.008 0.148 15 0 "[ . 1 . 2]" 1
73 1 70 GLU H 1 71 LEU HG 2.800 . 6.000 4.362 3.767 4.746 . 0 0 "[ . 1 . 2]" 1
74 1 25 GLY H 1 27 GLU H 3.100 . 4.300 4.205 3.901 4.465 0.165 8 0 "[ . 1 . 2]" 1
75 1 27 GLU HG2 1 35 ILE H 2.700 . 6.000 5.139 4.494 6.790 0.790 18 1 "[ . 1 . + 2]" 1
76 1 27 GLU H 1 27 GLU HB2 4.200 . 5.200 2.494 1.925 3.463 0.075 15 0 "[ . 1 . 2]" 1
77 1 48 HIS H 1 48 HIS HA 2.500 . 3.300 2.592 2.583 2.607 . 0 0 "[ . 1 . 2]" 1
78 1 27 GLU H 1 33 LEU H 3.300 . 6.000 5.925 5.068 6.075 0.075 8 0 "[ . 1 . 2]" 1
79 1 44 GLN H 1 44 GLN HA 2.500 . 3.300 2.557 2.543 2.569 . 0 0 "[ . 1 . 2]" 1
80 1 5 THR H 2 48 HIS H 2.700 . 6.000 5.381 4.882 6.009 0.009 19 0 "[ . 1 . 2]" 1
81 1 48 HIS H 1 50 LEU H 3.300 . 6.000 5.431 5.243 5.587 . 0 0 "[ . 1 . 2]" 1
82 1 79 LEU H 1 80 ILE H 2.400 . 3.100 2.221 2.058 2.376 . 0 0 "[ . 1 . 2]" 1
83 1 80 ILE H 1 82 GLU HG3 3.000 . 4.200 4.026 3.822 4.171 . 0 0 "[ . 1 . 2]" 1
84 1 50 LEU H 1 51 LYS H 2.400 . 3.100 2.895 2.462 3.061 . 0 0 "[ . 1 . 2]" 1
85 1 50 LEU H 1 89 LYS QD 2.900 . 6.000 5.211 2.918 5.898 . 0 0 "[ . 1 . 2]" 1
86 1 49 LEU HA 1 50 LEU H 4.000 . 5.100 3.155 3.141 3.181 . 0 0 "[ . 1 . 2]" 1
87 1 38 PHE HB2 1 39 LYS H 2.700 . 3.600 3.392 3.313 3.464 . 0 0 "[ . 1 . 2]" 1
88 1 36 ASN H 1 39 LYS H 2.700 . 3.600 3.564 3.479 3.668 0.068 14 0 "[ . 1 . 2]" 1
89 1 52 ASP H 1 52 ASP QB 3.800 . 5.000 2.143 2.064 2.256 . 0 0 "[ . 1 . 2]" 1
90 1 39 LYS H 1 39 LYS QG 2.300 . 3.000 1.762 1.694 1.881 0.106 11 0 "[ . 1 . 2]" 1
91 1 39 LYS H 1 39 LYS HA 2.300 . 3.000 1.924 1.872 2.036 . 0 0 "[ . 1 . 2]" 1
92 1 93 LEU H 1 93 LEU HB2 2.500 . 3.100 2.304 2.262 2.334 . 0 0 "[ . 1 . 2]" 1
93 1 92 ALA H 1 93 LEU H 2.100 . 2.600 2.200 2.143 2.366 . 0 0 "[ . 1 . 2]" 1
94 1 10 GLU H 2 86 GLU HB2 3.200 . 4.500 2.999 2.294 3.730 . 0 0 "[ . 1 . 2]" 1
95 1 23 PHE H 1 24 ALA H 2.900 . 3.800 2.135 1.961 2.222 . 0 0 "[ . 1 . 2]" 1
96 1 10 GLU H 1 11 ALA H 2.700 . 3.600 2.419 2.345 2.560 . 0 0 "[ . 1 . 2]" 1
97 1 9 LEU H 1 10 GLU H 2.300 . 2.800 2.476 2.387 2.530 . 0 0 "[ . 1 . 2]" 1
98 1 24 ALA H 1 24 ALA HA 2.500 . 2.800 2.452 2.411 2.534 . 0 0 "[ . 1 . 2]" 1
99 1 78 ARG H 1 78 ARG HB2 2.200 . 2.800 2.070 1.927 2.180 . 0 0 "[ . 1 . 2]" 1
100 1 83 LEU H 1 84 ALA HA 3.300 . 4.700 4.216 4.010 4.357 . 0 0 "[ . 1 . 2]" 1
101 1 10 GLU H 1 10 GLU HA 2.500 . 3.300 2.477 2.430 2.500 . 0 0 "[ . 1 . 2]" 1
102 1 8 GLU HG2 1 10 GLU H 2.900 . 6.000 5.413 4.880 5.702 . 0 0 "[ . 1 . 2]" 1
103 1 77 TRP H 1 78 ARG H 2.400 . 2.900 2.393 2.352 2.432 . 0 0 "[ . 1 . 2]" 1
104 1 77 TRP HA 1 78 ARG H 3.000 . 4.100 3.053 3.019 3.084 . 0 0 "[ . 1 . 2]" 1
105 1 78 ARG H 1 78 ARG HG2 2.400 . 2.700 2.559 2.180 2.831 0.131 11 0 "[ . 1 . 2]" 1
106 1 78 ARG H 1 78 ARG HA 2.300 . 2.900 2.522 2.486 2.565 . 0 0 "[ . 1 . 2]" 1
107 1 78 ARG H 1 79 LEU H 2.200 . 2.800 2.171 1.961 2.337 . 0 0 "[ . 1 . 2]" 1
108 1 75 GLU HA 1 78 ARG H 2.800 . 3.800 3.532 3.318 3.739 . 0 0 "[ . 1 . 2]" 1
109 1 77 TRP HB2 1 78 ARG H 2.800 . 3.800 3.708 3.616 3.783 . 0 0 "[ . 1 . 2]" 1
110 1 60 MET H 1 61 LYS H 2.300 . 2.800 2.154 2.051 2.284 . 0 0 "[ . 1 . 2]" 1
111 1 94 GLY H 1 95 ILE H 2.200 . 2.700 2.555 2.426 2.646 . 0 0 "[ . 1 . 2]" 1
112 1 60 MET H 1 60 MET HA 2.400 . 3.000 2.560 2.548 2.568 . 0 0 "[ . 1 . 2]" 1
113 1 76 TYR QE 1 78 ARG H 4.000 . 6.000 6.070 6.018 6.148 0.148 18 0 "[ . 1 . 2]" 1
114 1 74 SER HA 2 95 ILE H 3.400 . 4.800 2.276 1.974 2.413 0.026 3 0 "[ . 1 . 2]" 1
115 1 95 ILE H 1 97 LYS QE 3.500 . 6.000 4.811 4.137 5.371 . 0 0 "[ . 1 . 2]" 1
116 1 7 THR MG 2 20 PHE H 3.600 . 6.000 5.309 4.702 5.500 . 0 0 "[ . 1 . 2]" 1
117 1 78 ARG H 1 80 ILE HA 3.000 . 6.000 5.596 5.463 5.722 . 0 0 "[ . 1 . 2]" 1
118 1 21 PHE QB 1 22 THR H 2.500 . 3.100 2.848 2.614 3.120 0.020 14 0 "[ . 1 . 2]" 1
119 1 35 ILE HA 1 38 PHE H 2.700 2.600 3.300 2.601 2.502 2.769 0.098 18 0 "[ . 1 . 2]" 1
120 1 37 GLU H 1 38 PHE H . 2.600 2.900 2.254 2.207 2.366 0.393 12 0 "[ . 1 . 2]" 1
121 1 14 GLU H 1 15 THR H 2.300 . 2.800 2.391 2.287 2.465 . 0 0 "[ . 1 . 2]" 1
122 2 20 PHE QB 2 22 THR H 2.700 . 6.000 4.559 4.407 4.710 . 0 0 "[ . 1 . 2]" 1
123 1 38 PHE H 1 39 LYS H 2.300 . 2.900 2.338 2.229 2.516 . 0 0 "[ . 1 . 2]" 1
124 1 16 VAL HA 1 20 PHE H 3.800 . 4.700 3.358 2.994 3.525 . 0 0 "[ . 1 . 2]" 1
125 1 53 VAL H 1 53 VAL HA 2.400 . 3.000 1.926 1.890 1.982 . 0 0 "[ . 1 . 2]" 1
126 1 15 THR H 1 15 THR HA 2.300 . 3.000 2.528 2.504 2.554 . 0 0 "[ . 1 . 2]" 1
127 1 15 THR H 1 16 VAL H 2.300 . 2.900 2.382 2.275 2.450 . 0 0 "[ . 1 . 2]" 1
128 1 22 THR H 1 22 THR HB 3.700 . 5.500 3.222 3.198 3.259 . 0 0 "[ . 1 . 2]" 1
129 1 23 PHE QE 1 38 PHE H 2.700 . 3.600 2.555 2.323 3.161 . 0 0 "[ . 1 . 2]" 1
130 1 46 LEU H 1 53 VAL H 2.300 . 6.000 6.030 5.728 6.246 0.246 10 0 "[ . 1 . 2]" 1
131 1 15 THR H 1 15 THR HG1 2.500 . 3.300 2.879 2.771 3.007 . 0 0 "[ . 1 . 2]" 1
132 1 22 THR H 1 22 THR HG1 2.400 . 3.100 2.407 1.997 2.678 . 0 0 "[ . 1 . 2]" 1
133 1 34 ASN H 1 38 PHE H 3.300 . 4.600 4.814 4.593 5.234 0.634 14 2 "[ . 1 +. - 2]" 1
134 1 20 PHE H 1 22 THR H 3.100 . 4.100 3.415 3.347 3.476 . 0 0 "[ . 1 . 2]" 1
135 1 35 ILE HB 1 38 PHE H 2.900 . 3.900 3.917 3.593 4.027 0.127 13 0 "[ . 1 . 2]" 1
136 1 21 PHE H 1 22 THR H 2.200 . 2.800 2.360 2.220 2.460 . 0 0 "[ . 1 . 2]" 1
137 1 64 ASP H 1 64 ASP HB3 3.200 . 4.500 2.264 2.042 2.499 . 0 0 "[ . 1 . 2]" 1
138 1 57 ASP HA 1 58 GLU H 2.900 . 3.900 3.107 3.068 3.131 . 0 0 "[ . 1 . 2]" 1
139 1 8 GLU HB3 1 9 LEU H 2.200 . 2.800 2.813 2.778 2.845 0.045 17 0 "[ . 1 . 2]" 1
140 1 7 THR HA 1 9 LEU H 3.200 . 4.300 3.702 3.606 3.998 . 0 0 "[ . 1 . 2]" 1
141 1 8 GLU HG2 1 9 LEU H 5.000 . 6.000 3.559 3.344 4.224 . 0 0 "[ . 1 . 2]" 1
142 1 17 VAL H 1 22 THR H 2.300 . 6.000 5.969 5.778 6.116 0.116 17 0 "[ . 1 . 2]" 1
143 1 58 GLU H 1 58 GLU HG3 2.900 . 6.000 3.169 2.052 3.761 . 0 0 "[ . 1 . 2]" 1
144 1 73 PHE QD 2 95 ILE H 3.900 . 5.800 5.159 4.615 5.530 . 0 0 "[ . 1 . 2]" 1
145 1 58 GLU H 1 58 GLU QB 3.400 . 4.800 2.084 1.919 2.178 0.081 8 0 "[ . 1 . 2]" 1
146 1 57 ASP H 1 58 GLU H 2.600 . 3.400 2.433 2.125 2.613 . 0 0 "[ . 1 . 2]" 1
147 1 53 VAL H 1 53 VAL HB 2.400 . 2.800 3.052 2.715 3.244 0.444 15 0 "[ . 1 . 2]" 1
148 1 9 LEU H 1 9 LEU HA 2.300 . 3.000 2.410 2.378 2.439 . 0 0 "[ . 1 . 2]" 1
149 1 5 THR HB 1 8 GLU H 2.800 . 6.000 6.107 6.022 6.246 0.246 20 0 "[ . 1 . 2]" 1
150 1 57 ASP HB2 1 58 GLU H 2.400 . 3.100 2.549 1.798 2.943 . 0 0 "[ . 1 . 2]" 1
151 1 8 GLU H 1 9 LEU H 2.400 . 3.100 2.543 2.099 2.655 . 0 0 "[ . 1 . 2]" 1
152 1 8 GLU H 1 8 GLU HG2 2.000 . 2.400 1.788 1.671 2.659 0.259 8 0 "[ . 1 . 2]" 1
153 1 7 THR HA 1 8 GLU H 2.800 . 3.800 2.230 2.092 2.571 . 0 0 "[ . 1 . 2]" 1
154 1 8 GLU H 1 10 GLU HG2 2.500 . 6.000 4.244 3.814 4.612 . 0 0 "[ . 1 . 2]" 1
155 1 8 GLU H 1 8 GLU HB3 2.300 . 2.800 2.757 2.560 2.822 0.022 1 0 "[ . 1 . 2]" 1
156 1 55 SER HB2 1 58 GLU H 3.300 . 4.600 2.694 2.254 3.401 . 0 0 "[ . 1 . 2]" 1
157 1 86 GLU H 1 88 ARG HA 2.800 . 6.000 5.544 5.319 5.817 . 0 0 "[ . 1 . 2]" 1
158 1 9 LEU HG 2 86 GLU H 3.400 . 4.800 3.946 3.614 4.230 . 0 0 "[ . 1 . 2]" 1
159 1 86 GLU H 1 86 GLU QG 1.900 . 2.200 1.685 1.647 1.771 0.153 17 0 "[ . 1 . 2]" 1
160 1 60 MET HA 1 63 LEU H 3.100 . 4.300 3.493 3.272 3.805 . 0 0 "[ . 1 . 2]" 1
161 1 8 GLU H 1 10 GLU H 3.000 . 4.100 3.942 3.719 4.036 . 0 0 "[ . 1 . 2]" 1
162 1 13 ILE HG12 2 86 GLU H 2.800 . 6.000 4.702 3.846 5.250 . 0 0 "[ . 1 . 2]" 1
163 1 63 LEU H 1 63 LEU HA 2.300 . 2.900 2.439 2.380 2.475 . 0 0 "[ . 1 . 2]" 1
164 1 42 ALA H 1 43 THR HG1 3.300 . 4.600 3.608 3.469 3.712 . 0 0 "[ . 1 . 2]" 1
165 1 40 GLU H 1 42 ALA H 2.200 . 2.800 2.558 2.512 2.601 . 0 0 "[ . 1 . 2]" 1
166 1 42 ALA H 1 42 ALA HA 2.100 . 2.700 2.390 2.361 2.410 . 0 0 "[ . 1 . 2]" 1
167 1 9 LEU HG 1 11 ALA H 2.600 . 4.300 3.572 3.471 3.759 . 0 0 "[ . 1 . 2]" 1
168 1 36 ASN H 1 37 GLU H 2.200 . 2.800 2.410 2.318 2.732 . 0 0 "[ . 1 . 2]" 1
169 1 9 LEU H 1 11 ALA H 3.100 . 4.300 3.957 3.810 4.138 . 0 0 "[ . 1 . 2]" 1
170 1 35 ILE HA 1 36 ASN H 2.100 . 2.700 2.569 2.499 2.766 0.066 14 0 "[ . 1 . 2]" 1
171 1 41 LEU QB 1 42 ALA H 1.800 . 2.200 1.602 1.573 1.638 . 0 0 "[ . 1 . 2]" 1
172 1 35 ILE H 1 36 ASN H 2.300 . 2.800 2.106 1.930 2.523 . 0 0 "[ . 1 . 2]" 1
173 1 40 GLU H 1 40 GLU QG 3.100 . 3.800 2.293 1.710 2.623 0.190 12 0 "[ . 1 . 2]" 1
174 1 37 GLU H 1 37 GLU HA 2.500 . 3.000 2.545 2.501 2.568 . 0 0 "[ . 1 . 2]" 1
175 1 39 LYS H 1 40 GLU H 2.300 . 3.000 2.341 2.288 2.402 . 0 0 "[ . 1 . 2]" 1
176 1 39 LYS HA 1 40 GLU H 2.800 . 3.800 2.701 2.684 2.717 . 0 0 "[ . 1 . 2]" 1
177 1 40 GLU H 1 41 LEU H 4.100 . 6.000 1.975 1.919 2.027 0.081 11 0 "[ . 1 . 2]" 1
178 1 58 GLU HG3 1 59 LYS H 3.400 . 4.800 3.719 3.183 4.171 . 0 0 "[ . 1 . 2]" 1
179 1 20 PHE QE 1 37 GLU H 3.300 . 6.000 5.186 4.510 5.561 . 0 0 "[ . 1 . 2]" 1
180 1 20 PHE QE 1 40 GLU H 2.800 . 6.000 4.653 3.691 5.784 . 0 0 "[ . 1 . 2]" 1
181 1 35 ILE HA 1 37 GLU H 3.100 . 3.900 4.003 3.775 4.117 0.217 6 0 "[ . 1 . 2]" 1
182 1 83 LEU HA 1 84 ALA H 2.600 . 3.400 3.066 3.040 3.080 . 0 0 "[ . 1 . 2]" 1
183 1 81 GLY QA 1 84 ALA H 2.900 . 4.000 2.922 2.818 3.010 . 0 0 "[ . 1 . 2]" 1
184 1 80 ILE HA 1 84 ALA H 3.400 . 4.700 4.324 4.051 4.498 . 0 0 "[ . 1 . 2]" 1
185 1 83 LEU H 1 84 ALA H 2.200 . 2.800 2.395 2.356 2.438 . 0 0 "[ . 1 . 2]" 1
186 1 84 ALA H 1 87 VAL HB 2.800 . 6.000 4.857 4.434 5.518 . 0 0 "[ . 1 . 2]" 1
187 1 46 LEU H 1 46 LEU HA 2.600 . 3.300 2.395 2.355 2.436 . 0 0 "[ . 1 . 2]" 1
188 1 40 GLU H 1 41 LEU H 2.200 . 2.700 2.176 2.128 2.225 . 0 0 "[ . 1 . 2]" 1
189 1 40 GLU QG 1 41 LEU H 2.900 . 3.900 2.988 2.585 3.716 . 0 0 "[ . 1 . 2]" 1
190 1 87 VAL H 1 87 VAL HB 2.200 . 2.700 2.265 2.094 2.708 0.008 15 0 "[ . 1 . 2]" 1
191 1 41 LEU H 1 41 LEU QB 2.000 . 2.200 2.146 2.080 2.212 0.012 5 0 "[ . 1 . 2]" 1
192 1 6 LEU H 1 7 THR H 3.300 . 4.500 3.808 3.630 3.974 . 0 0 "[ . 1 . 2]" 1
193 1 82 GLU H 1 82 GLU HG3 2.100 . 2.700 2.328 2.072 2.588 . 0 0 "[ . 1 . 2]" 1
194 1 64 ASP HB3 1 65 VAL H 2.800 . 3.800 2.660 2.275 2.987 . 0 0 "[ . 1 . 2]" 1
195 1 80 ILE HA 1 82 GLU H 3.100 . 4.100 3.479 3.367 3.568 . 0 0 "[ . 1 . 2]" 1
196 1 79 LEU HA 1 82 GLU H 2.600 . 3.400 2.742 2.655 2.868 . 0 0 "[ . 1 . 2]" 1
197 1 81 GLY QA 1 82 GLU H 3.300 . 4.600 2.349 2.326 2.359 . 0 0 "[ . 1 . 2]" 1
198 1 33 LEU H 1 71 LEU H 3.200 . 4.300 3.800 3.484 4.454 0.154 13 0 "[ . 1 . 2]" 1
199 1 96 ARG QB 1 97 LYS H 3.400 . 4.800 2.699 2.473 2.996 . 0 0 "[ . 1 . 2]" 1
200 1 33 LEU MD2 1 34 ASN H 4.000 . 6.000 2.820 2.229 4.198 . 0 0 "[ . 1 . 2]" 1
201 1 75 GLU H 2 95 ILE HB 3.100 . 6.000 5.796 4.109 6.404 0.404 19 0 "[ . 1 . 2]" 1
202 1 71 LEU H 1 72 ARG H 3.500 . 4.900 3.858 3.773 3.909 . 0 0 "[ . 1 . 2]" 1
203 1 34 ASN H 1 67 GLN QG 2.700 . 6.000 5.452 4.758 5.807 . 0 0 "[ . 1 . 2]" 1
204 1 24 ALA HA 1 34 ASN H 2.900 . 4.000 3.206 2.825 4.128 0.128 13 0 "[ . 1 . 2]" 1
205 1 34 ASN H 1 34 ASN QB 3.000 . 3.600 2.326 1.846 2.798 . 0 0 "[ . 1 . 2]" 1
206 1 34 ASN H 1 35 ILE H 3.300 . 4.700 3.387 2.782 3.864 . 0 0 "[ . 1 . 2]" 1
207 1 34 ASN H 1 37 GLU H 3.100 . 4.300 4.424 4.231 4.635 0.335 11 0 "[ . 1 . 2]" 1
208 1 33 LEU HG 1 34 ASN H 2.700 . 3.000 1.980 1.716 4.033 1.033 20 1 "[ . 1 . +]" 1
209 1 26 ARG QB 1 34 ASN H 2.600 . 3.500 3.513 3.173 4.407 0.907 13 1 "[ . 1 + . 2]" 1
210 1 75 GLU H 1 77 TRP H 3.500 . 4.900 4.448 4.338 4.595 . 0 0 "[ . 1 . 2]" 1
211 1 33 LEU H 1 34 ASN H 3.500 . 5.000 4.064 3.946 4.115 . 0 0 "[ . 1 . 2]" 1
212 1 72 ARG HA 1 73 PHE H 2.700 . 3.600 3.079 2.947 3.163 . 0 0 "[ . 1 . 2]" 1
213 1 72 ARG HD2 1 73 PHE H 3.400 . 4.100 3.925 3.785 4.059 . 0 0 "[ . 1 . 2]" 1
214 1 93 LEU HA 1 96 ARG H 2.500 . 6.000 4.907 4.661 5.154 . 0 0 "[ . 1 . 2]" 1
215 1 72 ARG HB2 1 73 PHE H 2.800 . 3.800 2.641 2.441 3.060 . 0 0 "[ . 1 . 2]" 1
216 1 96 ARG H 1 97 LYS QE 3.500 . 5.000 2.882 1.860 4.066 0.140 11 0 "[ . 1 . 2]" 1
217 1 96 ARG H 1 96 ARG QB 2.600 . 3.500 2.153 1.916 2.556 . 0 0 "[ . 1 . 2]" 1
218 1 73 PHE H 1 73 PHE HB2 . . 2.800 2.688 2.454 2.906 0.106 6 0 "[ . 1 . 2]" 1
219 1 72 ARG H 1 73 PHE H 2.400 . 3.100 1.725 1.662 1.825 0.038 18 0 "[ . 1 . 2]" 1
220 1 15 THR HA 1 16 VAL H 2.700 . 3.600 3.141 3.123 3.156 . 0 0 "[ . 1 . 2]" 1
221 1 16 VAL H 1 16 VAL HA 2.300 . 3.000 2.463 2.413 2.501 . 0 0 "[ . 1 . 2]" 1
222 1 16 VAL H 1 16 VAL HB 2.100 . 2.700 2.216 2.092 2.276 . 0 0 "[ . 1 . 2]" 1
223 1 1 MET HB2 1 2 ALA H 2.600 . 3.400 2.164 1.913 2.876 . 0 0 "[ . 1 . 2]" 1
224 1 24 ALA H 1 33 LEU H 3.700 . 5.400 5.145 2.743 5.818 0.418 18 0 "[ . 1 . 2]" 1
225 1 32 SER HA 1 33 LEU H 2.400 . 2.800 2.135 2.055 2.212 . 0 0 "[ . 1 . 2]" 1
226 1 27 GLU HG2 1 33 LEU H 3.000 . 6.000 5.716 4.766 6.957 0.957 8 5 "[ .- +*1 * * 2]" 1
227 1 33 LEU H 1 34 ASN HA 3.200 . 4.500 4.313 4.212 4.457 . 0 0 "[ . 1 . 2]" 1
228 1 77 TRP HE1 1 78 ARG HG2 2.700 . 3.600 2.337 2.112 2.543 . 0 0 "[ . 1 . 2]" 1
229 1 77 TRP H 1 77 TRP HE1 3.600 . 5.200 4.568 4.359 4.743 . 0 0 "[ . 1 . 2]" 1
230 1 77 TRP HA 1 77 TRP HE1 2.900 . 6.000 5.514 5.493 5.582 . 0 0 "[ . 1 . 2]" 1
231 1 77 TRP HE1 1 78 ARG HA 3.800 . 5.000 3.791 3.632 4.382 . 0 0 "[ . 1 . 2]" 1
232 1 86 GLU QB 1 86 GLU QG 1.600 . 2.200 1.879 1.800 1.953 . 0 0 "[ . 1 . 2]" 1
233 1 1 MET HB2 2 39 LYS HA 1.400 . 2.200 1.615 1.504 1.761 . 0 0 "[ . 1 . 2]" 1
234 1 6 LEU HG 2 86 GLU HA 2.000 . 6.000 2.674 1.791 3.578 . 0 0 "[ . 1 . 2]" 1
235 1 74 SER HB2 2 95 ILE MG 2.100 . 2.200 1.971 1.653 2.698 0.498 15 0 "[ . 1 . 2]" 1
236 1 1 MET QG 2 40 GLU HG2 2.400 . 6.000 5.049 4.591 5.366 . 0 0 "[ . 1 . 2]" 1
237 1 63 LEU HA 1 63 LEU HG 1.800 . 2.200 2.092 1.895 2.293 0.093 9 0 "[ . 1 . 2]" 1
238 1 22 THR HA 1 22 THR HG1 2.200 . 2.800 2.878 2.832 2.921 0.121 14 0 "[ . 1 . 2]" 1
239 1 5 THR HA 1 5 THR MG 2.000 . 2.500 1.850 1.683 2.125 . 0 0 "[ . 1 . 2]" 1
240 1 85 LYS HB2 1 85 LYS QE 1.800 . 2.200 1.954 1.725 2.451 0.251 14 0 "[ . 1 . 2]" 1
241 1 77 TRP HA 2 84 ALA HA 2.700 . 6.000 5.885 5.623 6.047 0.047 15 0 "[ . 1 . 2]" 1
242 1 61 LYS HA 1 61 LYS HB2 1.900 . 2.300 2.209 2.130 2.312 0.012 11 0 "[ . 1 . 2]" 1
243 1 39 LYS QG 1 46 LEU HG 2.100 . 6.000 5.254 4.856 5.534 . 0 0 "[ . 1 . 2]" 1
244 1 37 GLU HA 1 38 PHE HA 3.300 . 4.700 3.464 3.452 3.479 . 0 0 "[ . 1 . 2]" 1
245 1 69 SER HA 1 78 ARG HG2 2.600 . 3.400 3.504 3.097 3.670 0.270 17 0 "[ . 1 . 2]" 1
246 1 22 THR HB 1 22 THR HG1 2.200 . 2.500 2.165 2.121 2.221 . 0 0 "[ . 1 . 2]" 1
247 1 89 LYS QG 1 90 GLU HG2 1.900 . 2.400 2.153 2.032 2.301 . 0 0 "[ . 1 . 2]" 1
248 1 35 ILE MG 1 36 ASN QB 2.100 . 6.000 5.211 5.050 5.340 . 0 0 "[ . 1 . 2]" 1
249 1 9 LEU HA 1 9 LEU QB 2.100 . 2.400 2.036 1.879 2.117 . 0 0 "[ . 1 . 2]" 1
250 1 57 ASP HA 1 60 MET HB2 . . 2.400 1.962 1.847 2.184 0.153 18 0 "[ . 1 . 2]" 1
251 1 43 THR HB 1 44 GLN HB2 2.400 . 3.100 2.667 2.401 2.761 . 0 0 "[ . 1 . 2]" 1
252 1 8 GLU HA 1 8 GLU HG2 2.100 . 2.700 2.121 1.995 2.178 . 0 0 "[ . 1 . 2]" 1
253 1 81 GLY QA 1 84 ALA HA 2.900 . 4.000 4.045 3.684 4.179 0.179 13 0 "[ . 1 . 2]" 1
254 1 9 LEU HG 2 83 LEU HA 2.300 . 3.000 2.816 2.061 3.056 0.056 16 0 "[ . 1 . 2]" 1
255 1 86 GLU HA 1 86 GLU QB 2.200 . 2.800 2.137 2.047 2.239 . 0 0 "[ . 1 . 2]" 1
256 1 83 LEU HB2 1 84 ALA HA 2.200 . 6.000 3.282 2.968 3.527 . 0 0 "[ . 1 . 2]" 1
257 1 67 GLN HA 1 67 GLN HB2 2.000 . 2.500 2.136 1.978 2.376 . 0 0 "[ . 1 . 2]" 1
258 1 1 MET HA 2 41 LEU QB 2.400 . 3.100 3.191 2.992 3.541 0.441 12 0 "[ . 1 . 2]" 1
259 1 35 ILE MG 1 67 GLN HA 2.400 . 3.100 1.699 1.522 2.107 0.178 8 0 "[ . 1 . 2]" 1
260 1 61 LYS HA 1 61 LYS HD2 2.300 . 2.500 1.881 1.763 2.038 . 0 0 "[ . 1 . 2]" 1
261 1 26 ARG HA 1 26 ARG HD2 2.400 . 3.100 1.982 1.612 2.266 0.088 2 0 "[ . 1 . 2]" 1
262 1 79 LEU HG 1 80 ILE MG 2.400 . 6.000 4.434 3.846 5.038 . 0 0 "[ . 1 . 2]" 1
263 1 7 THR MG 2 41 LEU HG 2.500 . 3.800 3.526 3.085 3.950 0.150 3 0 "[ . 1 . 2]" 1
264 1 4 GLU HA 1 4 GLU HG2 2.500 . 3.300 2.775 2.014 3.477 0.177 3 0 "[ . 1 . 2]" 1
265 1 87 VAL HA 1 87 VAL HB 2.200 . 2.800 2.659 2.261 2.693 . 0 0 "[ . 1 . 2]" 1
266 1 39 LYS HA 1 41 LEU QB 2.300 . 2.900 2.169 1.852 2.337 . 0 0 "[ . 1 . 2]" 1
267 1 30 LYS HA 1 30 LYS HB2 2.600 . 3.300 2.602 2.200 2.704 . 0 0 "[ . 1 . 2]" 1
268 1 8 GLU HA 1 10 GLU HG2 2.600 . 3.500 2.840 2.275 3.191 . 0 0 "[ . 1 . 2]" 1
269 1 1 MET QG 2 45 GLN QG 3.000 . 6.000 4.149 3.130 4.838 . 0 0 "[ . 1 . 2]" 1
270 1 26 ARG QB 1 27 GLU HG2 2.600 . 3.400 2.810 2.106 3.613 0.213 18 0 "[ . 1 . 2]" 1
271 1 26 ARG QB 1 27 GLU HG2 2.500 . 3.300 2.697 2.098 3.404 0.104 18 0 "[ . 1 . 2]" 1
272 1 69 SER HA 1 80 ILE MG 2.800 . 6.000 5.261 4.679 5.691 . 0 0 "[ . 1 . 2]" 1
273 1 24 ALA HA 1 26 ARG QB 2.300 . 2.900 2.845 2.582 3.038 0.138 2 0 "[ . 1 . 2]" 1
274 1 1 MET QG 2 59 LYS HA 3.300 . 6.000 4.096 3.508 4.910 . 0 0 "[ . 1 . 2]" 1
275 1 79 LEU H 1 80 ILE HB 2.900 . 3.800 3.870 3.719 3.974 0.174 6 0 "[ . 1 . 2]" 1
276 1 59 LYS QB 1 60 MET HG2 2.200 . 6.000 3.400 2.798 4.189 . 0 0 "[ . 1 . 2]" 1
277 1 68 ASP QB 1 78 ARG HD2 . . 2.800 2.469 1.776 2.960 0.224 15 0 "[ . 1 . 2]" 1
278 1 41 LEU HA 1 43 THR HG1 2.800 . 3.800 3.868 3.820 3.925 0.125 15 0 "[ . 1 . 2]" 1
279 1 20 PHE QE 1 23 PHE QD 2.400 . 3.100 2.098 1.695 2.583 0.005 16 0 "[ . 1 . 2]" 1
280 1 18 SER HA 1 18 SER QB 3.300 . 4.500 2.096 1.949 2.128 0.051 6 0 "[ . 1 . 2]" 1
281 1 21 PHE QD 1 23 PHE QD 2.900 . 3.900 3.548 2.835 3.836 . 0 0 "[ . 1 . 2]" 1
282 1 51 LYS HA 1 51 LYS HG3 2.500 . 3.300 2.439 2.256 2.618 . 0 0 "[ . 1 . 2]" 1
283 1 79 LEU HG 2 94 GLY QA 2.800 . 3.800 3.371 1.724 3.998 0.198 8 0 "[ . 1 . 2]" 1
284 1 76 TYR QB 1 79 LEU HG 2.700 . 6.000 3.735 3.008 5.606 . 0 0 "[ . 1 . 2]" 1
285 1 37 GLU HG2 1 40 GLU HB3 3.600 . 5.200 4.227 3.816 4.497 . 0 0 "[ . 1 . 2]" 1
286 1 85 LYS HA 1 88 ARG QG 2.700 . 6.000 3.954 3.212 4.701 . 0 0 "[ . 1 . 2]" 1
287 1 93 LEU HA 1 93 LEU HG 2.300 . 2.800 2.125 1.988 2.297 . 0 0 "[ . 1 . 2]" 1
288 1 79 LEU HB2 2 87 VAL HB 2.400 . 3.100 3.165 2.593 3.288 0.188 2 0 "[ . 1 . 2]" 1
289 1 6 LEU HA 1 6 LEU QB 2.400 . 2.800 1.770 1.647 1.877 0.053 20 0 "[ . 1 . 2]" 1
290 1 44 GLN HA 1 47 PRO QB 2.800 . 6.000 4.412 4.211 4.699 . 0 0 "[ . 1 . 2]" 1
291 1 1 MET HA 2 59 LYS HA 2.800 . 3.800 2.426 2.226 2.611 . 0 0 "[ . 1 . 2]" 1
292 1 9 LEU HG 2 16 VAL HA 2.400 . 3.100 2.718 2.496 2.831 . 0 0 "[ . 1 . 2]" 1
293 1 5 THR MG 2 51 LYS QG 3.700 . 5.400 3.667 3.078 4.473 . 0 0 "[ . 1 . 2]" 1
294 1 48 HIS QB 1 51 LYS HB2 2.100 . 2.600 2.044 1.629 2.386 . 0 0 "[ . 1 . 2]" 1
295 1 6 LEU HA 1 6 LEU HG 2.400 . 3.100 2.313 2.032 3.015 . 0 0 "[ . 1 . 2]" 1
296 1 20 PHE QE 1 38 PHE HA 2.300 . 3.000 2.027 1.705 2.772 . 0 0 "[ . 1 . 2]" 1
297 1 51 LYS HB2 1 51 LYS QE 2.600 . 3.400 1.881 1.560 2.384 0.240 7 0 "[ . 1 . 2]" 1
298 1 1 MET QG 2 39 LYS HA 2.300 . 3.000 2.053 1.538 2.399 0.062 12 0 "[ . 1 . 2]" 1
299 1 13 ILE HG13 2 86 GLU QG 2.600 . 6.000 4.074 3.040 4.710 . 0 0 "[ . 1 . 2]" 1
300 1 57 ASP HA 1 58 GLU HA 3.400 . 4.900 3.718 3.664 3.803 . 0 0 "[ . 1 . 2]" 1
301 1 12 ALA HA 1 14 GLU HB2 2.900 . 4.000 3.508 3.365 4.646 0.646 15 1 "[ . 1 + 2]" 1
302 1 9 LEU HG 2 21 PHE QE 2.700 . 3.600 1.958 1.817 2.113 . 0 0 "[ . 1 . 2]" 1
303 1 57 ASP HB2 1 60 MET HB2 2.700 . 3.600 3.623 3.437 3.887 0.287 12 0 "[ . 1 . 2]" 1
304 1 49 LEU HA 1 49 LEU HB2 2.800 . 3.400 2.258 1.807 2.577 0.093 7 0 "[ . 1 . 2]" 1
305 1 73 PHE HB2 2 97 LYS QG 3.000 . 3.900 2.889 2.544 3.414 . 0 0 "[ . 1 . 2]" 1
306 1 35 ILE MG 1 66 ASN QB 2.500 . 3.100 2.791 2.412 3.101 0.001 9 0 "[ . 1 . 2]" 1
307 1 76 TYR QB 2 94 GLY QA 2.400 . 3.000 2.830 2.594 3.022 0.022 2 0 "[ . 1 . 2]" 1
308 1 19 THR HG1 1 20 PHE QE 2.800 . 6.000 4.678 4.525 4.887 . 0 0 "[ . 1 . 2]" 1
309 1 9 LEU HG 2 86 GLU QG 2.300 . 3.000 2.061 1.632 2.417 . 0 0 "[ . 1 . 2]" 1
310 1 83 LEU HA 1 84 ALA HA 3.000 . 4.000 4.064 4.011 4.115 0.115 15 0 "[ . 1 . 2]" 1
311 1 58 GLU HG3 1 59 LYS QB 2.900 . 4.500 3.857 2.629 4.614 0.114 6 0 "[ . 1 . 2]" 1
312 1 13 ILE HB 1 14 GLU HB2 2.800 . 3.800 1.921 1.660 2.377 0.140 19 0 "[ . 1 . 2]" 1
313 1 6 LEU QB 1 10 GLU HA 3.000 . 4.100 3.006 2.813 3.176 . 0 0 "[ . 1 . 2]" 1
314 1 47 PRO HA 1 47 PRO QB 3.100 . 4.100 1.956 1.940 1.981 . 0 0 "[ . 1 . 2]" 1
315 1 20 PHE HB3 1 20 PHE QD 2.600 . 3.400 1.759 1.721 1.851 0.179 11 0 "[ . 1 . 2]" 1
316 1 4 GLU HA 2 52 ASP QB 2.900 . 4.000 3.271 2.451 3.931 . 0 0 "[ . 1 . 2]" 1
317 1 20 PHE HB3 1 21 PHE HA 2.800 . 3.800 3.136 1.626 3.653 0.174 2 0 "[ . 1 . 2]" 1
318 1 2 ALA HA 2 42 ALA H 3.000 . 3.900 4.425 4.153 4.671 0.771 16 9 "[* .* **1 *- .+ * *]" 1
319 1 1 MET HA 2 58 GLU HA 3.500 . 5.000 4.016 3.934 4.102 . 0 0 "[ . 1 . 2]" 1
320 1 13 ILE HG12 2 86 GLU QG 2.800 . 3.800 3.400 2.779 3.936 0.136 10 0 "[ . 1 . 2]" 1
321 1 7 THR MG 2 46 LEU H 3.000 . 4.200 4.393 3.964 4.579 0.379 6 0 "[ . 1 . 2]" 1
322 1 42 ALA H 1 46 LEU HG 3.100 . 6.000 5.332 5.071 5.629 . 0 0 "[ . 1 . 2]" 1
323 1 96 ARG HA 1 96 ARG QD 2.500 . 3.300 2.418 1.698 3.389 0.202 17 0 "[ . 1 . 2]" 1
324 1 16 VAL H 1 19 THR HG1 2.900 . 4.000 3.804 3.556 3.886 . 0 0 "[ . 1 . 2]" 1
325 1 38 PHE QD 1 41 LEU HG 2.700 . 3.600 2.435 1.925 2.711 . 0 0 "[ . 1 . 2]" 1
326 1 9 LEU HG 2 20 PHE QB 2.900 . 3.900 2.545 2.075 3.016 . 0 0 "[ . 1 . 2]" 1
327 1 42 ALA HA 1 59 LYS QG 3.600 . 3.600 3.653 3.555 3.749 0.149 20 0 "[ . 1 . 2]" 1
328 1 80 ILE HB 2 84 ALA HA 2.800 . 3.800 2.505 2.048 2.944 . 0 0 "[ . 1 . 2]" 1
329 1 17 VAL H 1 19 THR HG1 2.700 . 3.600 3.400 3.243 3.595 . 0 0 "[ . 1 . 2]" 1
330 1 84 ALA HA 1 86 GLU HA 3.000 . 4.100 4.022 3.959 4.135 0.035 9 0 "[ . 1 . 2]" 1
331 1 82 GLU HB2 1 84 ALA HA 3.400 . 4.900 5.256 5.196 5.351 0.451 2 0 "[ . 1 . 2]" 1
332 1 20 PHE H 1 20 PHE HB3 2.300 . 3.000 1.661 1.575 1.779 0.225 5 0 "[ . 1 . 2]" 1
333 1 8 GLU HA 2 20 PHE QB 3.600 . 5.200 4.188 3.933 4.401 . 0 0 "[ . 1 . 2]" 1
334 1 5 THR MG 2 89 LYS HD3 3.000 . 4.100 1.862 1.499 3.532 0.401 10 0 "[ . 1 . 2]" 1
335 1 5 THR MG 2 90 GLU QG 2.800 . 6.000 2.941 1.897 3.930 . 0 0 "[ . 1 . 2]" 1
336 1 66 ASN QB 1 67 GLN HB2 3.200 . 4.500 3.748 3.227 4.009 . 0 0 "[ . 1 . 2]" 1
337 1 9 LEU HG 1 11 ALA H 3.300 . 4.700 3.546 3.453 3.729 . 0 0 "[ . 1 . 2]" 1
338 1 38 PHE QD 1 66 ASN QB 2.800 . 3.800 3.219 2.930 3.563 . 0 0 "[ . 1 . 2]" 1
339 1 5 THR MG 2 49 LEU HB2 3.200 . 4.500 4.051 3.473 4.811 0.311 19 0 "[ . 1 . 2]" 1
340 1 47 PRO QB 1 48 HIS QB 2.900 . 3.900 2.621 2.101 4.022 0.122 20 0 "[ . 1 . 2]" 1
341 1 71 LEU HG 1 77 TRP HD1 3.100 . 4.300 4.118 3.847 4.306 0.006 15 0 "[ . 1 . 2]" 1
342 1 1 MET QG 2 40 GLU HB3 3.900 . 5.800 4.599 4.146 5.044 . 0 0 "[ . 1 . 2]" 1
343 1 47 PRO QB 1 48 HIS QB 3.100 . 4.300 4.414 4.255 4.540 0.240 3 0 "[ . 1 . 2]" 1
344 1 9 LEU QB 2 86 GLU QG 2.300 . 3.000 1.702 1.537 1.947 0.063 11 0 "[ . 1 . 2]" 1
345 1 11 ALA HA 1 13 ILE HG12 3.500 . 5.100 3.929 3.594 4.081 . 0 0 "[ . 1 . 2]" 1
346 1 7 THR HA 1 7 THR HB 2.900 . 3.500 2.518 2.317 2.646 . 0 0 "[ . 1 . 2]" 1
347 1 1 MET QG 2 41 LEU HG 3.200 . 6.000 4.569 3.995 4.841 . 0 0 "[ . 1 . 2]" 1
348 1 1 MET QG 2 59 LYS QG 3.600 . 5.200 2.600 1.701 3.565 0.299 16 0 "[ . 1 . 2]" 1
349 1 77 TRP HA 1 78 ARG HB2 3.100 . 6.000 5.025 4.923 5.101 . 0 0 "[ . 1 . 2]" 1
350 1 20 PHE QE 1 85 LYS HA 3.200 . 6.000 6.185 5.882 6.334 0.334 19 0 "[ . 1 . 2]" 1
351 1 9 LEU HA 2 16 VAL HB 2.700 . 3.100 2.824 2.300 3.075 . 0 0 "[ . 1 . 2]" 1
352 1 26 ARG QB 1 26 ARG HD2 3.000 . 3.300 2.115 1.939 2.321 . 0 0 "[ . 1 . 2]" 1
353 1 32 SER H 1 72 ARG HG2 . . 3.400 2.963 2.700 3.521 0.121 13 0 "[ . 1 . 2]" 1
354 1 17 VAL H 1 17 VAL HB 2.800 . 3.500 2.229 2.021 2.309 . 0 0 "[ . 1 . 2]" 1
355 1 89 LYS QG 1 90 GLU HB2 3.300 . 3.400 3.262 3.133 3.483 0.083 7 0 "[ . 1 . 2]" 1
356 1 1 MET HA 2 59 LYS QG 3.400 . 4.900 2.698 2.006 3.087 . 0 0 "[ . 1 . 2]" 1
357 1 31 GLY QA 1 72 ARG HG2 3.100 . 4.300 2.766 2.108 3.206 . 0 0 "[ . 1 . 2]" 1
358 1 46 LEU HG 1 56 LEU HA 3.200 . 4.500 4.409 4.138 4.844 0.344 20 0 "[ . 1 . 2]" 1
359 1 48 HIS QB 1 49 LEU HA 3.500 . 4.600 3.645 3.482 4.047 . 0 0 "[ . 1 . 2]" 1
360 1 20 PHE QD 1 41 LEU HG 3.400 . 4.900 3.723 3.106 4.276 . 0 0 "[ . 1 . 2]" 1
361 1 23 PHE QD 1 41 LEU HG 3.300 . 4.600 4.240 3.461 4.577 . 0 0 "[ . 1 . 2]" 1
362 1 17 VAL HA 1 76 TYR QD 3.700 . 5.400 5.528 5.272 5.687 0.287 2 0 "[ . 1 . 2]" 1
363 1 95 ILE HB 1 97 LYS QG 3.500 . 5.100 2.753 2.084 3.504 . 0 0 "[ . 1 . 2]" 1
364 1 46 LEU HA 1 47 PRO QD 3.600 . 5.200 3.218 3.130 3.294 . 0 0 "[ . 1 . 2]" 1
365 1 77 TRP HA 1 80 ILE HA 3.700 . 5.200 4.121 3.913 4.362 . 0 0 "[ . 1 . 2]" 1
366 1 32 SER HA 1 72 ARG HA 3.900 . 5.800 4.014 3.806 4.456 . 0 0 "[ . 1 . 2]" 1
367 1 51 LYS H 1 51 LYS HB2 2.700 . 3.600 2.179 1.912 2.318 . 0 0 "[ . 1 . 2]" 1
368 1 5 THR H 1 5 THR MG 3.600 . 5.200 2.123 1.716 2.794 0.284 14 0 "[ . 1 . 2]" 1
369 1 44 GLN HA 1 47 PRO QD 3.400 . 4.600 2.619 2.296 3.338 . 0 0 "[ . 1 . 2]" 1
370 1 14 GLU HA 1 15 THR HB 4.100 . 5.200 3.617 3.555 3.764 . 0 0 "[ . 1 . 2]" 1
371 1 69 SER HA 1 78 ARG HD2 3.800 . 5.600 3.519 2.914 3.839 . 0 0 "[ . 1 . 2]" 1
372 1 20 PHE QE 1 23 PHE QB 3.500 . 4.300 3.301 2.265 3.754 . 0 0 "[ . 1 . 2]" 1
373 1 13 ILE HA 2 86 GLU HB2 3.500 . 5.000 4.301 3.895 4.611 . 0 0 "[ . 1 . 2]" 1
374 1 14 GLU H 1 14 GLU HB2 2.900 . 4.000 2.257 2.141 3.139 . 0 0 "[ . 1 . 2]" 1
375 1 7 THR HB 2 20 PHE QB 3.200 . 4.500 3.204 2.754 3.865 . 0 0 "[ . 1 . 2]" 1
376 1 21 PHE H 1 24 ALA H 3.600 . 5.200 4.366 4.238 4.521 . 0 0 "[ . 1 . 2]" 1
377 1 5 THR MG 2 48 HIS QB 3.400 . 4.900 2.048 1.579 3.030 0.321 7 0 "[ . 1 . 2]" 1
378 1 7 THR HB 1 8 GLU HB3 3.300 . 4.700 2.633 2.073 3.020 . 0 0 "[ . 1 . 2]" 1
379 1 20 PHE HA 1 21 PHE HA 3.200 . 4.500 3.163 2.559 3.374 . 0 0 "[ . 1 . 2]" 1
380 1 10 GLU HA 2 87 VAL HA 3.800 . 5.600 4.397 4.225 4.571 . 0 0 "[ . 1 . 2]" 1
381 1 4 GLU HG2 1 5 THR MG 3.800 . 5.600 3.988 3.782 4.202 . 0 0 "[ . 1 . 2]" 1
382 1 4 GLU HG2 2 51 LYS QG 3.600 . 5.200 4.017 2.568 5.367 0.167 11 0 "[ . 1 . 2]" 1
383 1 30 LYS HB2 1 73 PHE HB2 4.000 . 6.000 5.193 4.279 5.891 . 0 0 "[ . 1 . 2]" 1
384 1 38 PHE HB2 1 66 ASN QB 4.300 . 6.000 4.737 4.310 5.194 . 0 0 "[ . 1 . 2]" 1
385 1 77 TRP HA 1 80 ILE MG 3.800 . 5.000 3.289 2.760 3.422 . 0 0 "[ . 1 . 2]" 1
386 1 8 GLU HG2 2 36 ASN QB 2.800 . 6.000 5.141 4.215 5.912 . 0 0 "[ . 1 . 2]" 1
387 1 11 ALA HA 1 12 ALA H . . 3.100 2.327 2.308 2.345 . 0 0 "[ . 1 . 2]" 1
388 1 1 MET QG 2 41 LEU QB 3.500 . 5.000 3.267 2.735 3.536 . 0 0 "[ . 1 . 2]" 1
389 1 23 PHE QB 1 26 ARG HD2 3.600 . 5.400 4.574 3.623 5.101 . 0 0 "[ . 1 . 2]" 1
390 1 13 ILE HA 1 13 ILE HB 3.400 . 4.800 2.412 2.319 2.633 . 0 0 "[ . 1 . 2]" 1
391 1 10 GLU HA 1 10 GLU HG2 3.600 . 5.000 3.488 3.385 3.644 . 0 0 "[ . 1 . 2]" 1
392 1 76 TYR QD 1 77 TRP HA 3.300 . 4.000 3.612 3.365 3.926 . 0 0 "[ . 1 . 2]" 1
393 1 37 GLU HB3 1 39 LYS QG 3.700 . 6.000 5.444 5.349 5.874 . 0 0 "[ . 1 . 2]" 1
394 1 20 PHE QD 1 85 LYS HA 3.600 . 6.000 5.973 5.050 8.073 2.073 11 3 "[ . - 1+ *. 2]" 1
395 1 2 ALA HA 2 38 PHE HB2 3.800 . 5.600 4.917 4.530 5.355 . 0 0 "[ . 1 . 2]" 1
396 1 13 ILE HB 1 14 GLU H 2.900 . 4.000 2.414 2.247 2.528 . 0 0 "[ . 1 . 2]" 1
397 1 71 LEU QB 1 73 PHE QE 3.400 . 4.900 2.585 1.861 3.186 0.039 2 0 "[ . 1 . 2]" 1
398 1 56 LEU HA 1 59 LYS QD 4.500 . 6.000 1.993 1.662 3.136 0.338 5 0 "[ . 1 . 2]" 1
399 1 16 VAL HA 1 83 LEU HA 2.800 . 3.800 3.250 3.210 3.354 . 0 0 "[ . 1 . 2]" 1
400 1 7 THR MG 2 39 LYS QG 2.100 . 6.000 5.305 4.906 5.587 . 0 0 "[ . 1 . 2]" 1
401 1 1 MET QG 2 40 GLU HG2 2.200 . 6.000 5.649 5.098 6.451 0.451 2 0 "[ . 1 . 2]" 1
402 1 93 LEU HB2 1 95 ILE MG 2.100 . 6.000 4.146 3.625 4.582 . 0 0 "[ . 1 . 2]" 1
403 1 93 LEU HG 1 95 ILE MG 2.300 . 6.000 5.559 3.963 6.040 0.040 13 0 "[ . 1 . 2]" 1
404 1 67 GLN HB2 1 67 GLN QG 2.000 . 2.200 1.730 1.677 1.775 . 0 0 "[ . 1 . 2]" 1
405 1 95 ILE MG 1 96 ARG HG3 2.000 . 6.000 5.304 4.810 5.674 . 0 0 "[ . 1 . 2]" 1
406 1 5 THR HA 1 5 THR MG 2.100 . 2.600 2.056 1.820 2.785 0.185 14 0 "[ . 1 . 2]" 1
407 1 37 GLU HA 1 38 PHE HA 2.900 . 3.800 3.737 3.710 3.771 . 0 0 "[ . 1 . 2]" 1
408 1 10 GLU HA 2 84 ALA HA 2.700 . 6.000 5.409 5.265 5.541 . 0 0 "[ . 1 . 2]" 1
409 1 46 LEU HG 1 59 LYS QG 2.500 . 3.300 3.333 2.634 3.675 0.375 15 0 "[ . 1 . 2]" 1
410 1 14 GLU HA 1 17 VAL HB 2.100 . 2.600 2.192 1.991 2.301 . 0 0 "[ . 1 . 2]" 1
411 1 39 LYS HA 1 39 LYS QG 2.000 . 2.500 1.939 1.814 1.996 . 0 0 "[ . 1 . 2]" 1
412 1 20 PHE QE 1 23 PHE QE 2.200 . 2.800 1.869 1.566 2.559 0.034 11 0 "[ . 1 . 2]" 1
413 1 18 SER HA 1 22 THR HG1 2.600 . 6.000 3.973 2.600 4.598 . 0 0 "[ . 1 . 2]" 1
414 1 6 LEU HG 2 86 GLU HA 2.400 . 6.000 2.678 1.791 3.594 . 0 0 "[ . 1 . 2]" 1
415 1 19 THR HG1 1 21 PHE QB 2.900 . 3.900 3.085 2.304 3.510 . 0 0 "[ . 1 . 2]" 1
416 1 95 ILE MG 1 96 ARG HA 2.600 . 6.000 4.552 3.579 4.930 . 0 0 "[ . 1 . 2]" 1
417 1 1 MET QG 2 44 GLN HB2 3.000 . 4.100 3.826 3.129 4.354 0.254 15 0 "[ . 1 . 2]" 1
418 1 1 MET HB2 2 41 LEU HG 2.600 . 3.400 3.325 3.141 3.473 0.073 11 0 "[ . 1 . 2]" 1
419 1 77 TRP HE3 1 78 ARG H 2.500 . 3.300 3.212 3.030 3.410 0.110 9 0 "[ . 1 . 2]" 1
420 1 30 LYS HB2 2 97 LYS QG 2.500 . 3.300 3.298 2.542 4.258 0.958 7 3 "[ . + 1 * . - 2]" 1
421 1 20 PHE QE 1 38 PHE HA 2.200 . 2.800 2.028 1.706 2.783 . 0 0 "[ . 1 . 2]" 1
422 1 55 SER HB2 1 58 GLU HA 2.500 . 3.300 2.629 2.145 2.842 . 0 0 "[ . 1 . 2]" 1
423 1 85 LYS HA 1 89 LYS QG 2.600 . 6.000 5.220 4.556 5.673 . 0 0 "[ . 1 . 2]" 1
424 1 3 ALA HA 2 85 LYS HG2 2.500 . 3.300 2.983 2.605 3.405 0.105 12 0 "[ . 1 . 2]" 1
425 1 1 MET HA 2 59 LYS HA 2.800 . 3.800 2.421 2.225 2.607 . 0 0 "[ . 1 . 2]" 1
426 1 3 ALA HA 2 59 LYS HA 3.700 . 5.400 3.761 3.450 3.900 . 0 0 "[ . 1 . 2]" 1
427 1 51 LYS HA 1 53 VAL H 2.600 . 3.400 2.247 2.066 2.360 . 0 0 "[ . 1 . 2]" 1
428 1 7 THR MG 2 21 PHE H 2.500 . 6.000 4.523 3.988 4.807 . 0 0 "[ . 1 . 2]" 1
429 1 41 LEU QB 1 59 LYS QG 3.600 . 5.200 4.579 4.278 4.839 . 0 0 "[ . 1 . 2]" 1
430 1 4 GLU QB 2 59 LYS QG 2.500 . 6.000 4.172 3.217 4.954 . 0 0 "[ . 1 . 2]" 1
431 1 41 LEU HA 1 43 THR HG1 2.800 . 6.000 3.938 3.876 4.013 . 0 0 "[ . 1 . 2]" 1
432 1 9 LEU HG 2 83 LEU HA 2.300 . 3.000 2.154 1.925 2.263 . 0 0 "[ . 1 . 2]" 1
433 1 8 GLU HA 1 10 GLU HG2 2.900 . 3.900 2.874 2.281 3.251 . 0 0 "[ . 1 . 2]" 1
434 1 57 ASP HA 1 60 MET HG2 3.000 . 4.100 3.408 2.606 4.256 0.156 4 0 "[ . 1 . 2]" 1
435 1 38 PHE HA 1 41 LEU HG 2.000 . 2.200 1.723 1.648 1.918 . 0 0 "[ . 1 . 2]" 1
436 1 9 LEU QB 2 19 THR HG1 3.400 . 4.800 4.232 3.397 4.745 . 0 0 "[ . 1 . 2]" 1
437 1 32 SER QB 1 74 SER HA 3.300 . 6.000 5.309 4.796 5.686 . 0 0 "[ . 1 . 2]" 1
438 1 46 LEU HG 1 52 ASP QB 2.700 . 6.000 4.953 4.316 5.414 . 0 0 "[ . 1 . 2]" 1
439 1 9 LEU H 2 19 THR HG1 2.900 . 3.800 3.804 3.556 3.880 0.080 11 0 "[ . 1 . 2]" 1
440 1 30 LYS HB2 2 97 LYS QD 3.100 . 4.300 2.720 1.604 4.141 0.296 15 0 "[ . 1 . 2]" 1
441 1 42 ALA H 1 59 LYS QG 3.700 . 4.800 3.673 3.447 3.886 . 0 0 "[ . 1 . 2]" 1
442 1 1 MET HA 2 43 THR HB 3.500 . 5.000 4.013 3.926 4.090 . 0 0 "[ . 1 . 2]" 1
443 1 21 PHE QB 1 41 LEU HG 3.200 . 6.000 4.537 3.842 5.130 . 0 0 "[ . 1 . 2]" 1
444 1 75 GLU HA 1 77 TRP HE3 2.800 . 3.800 3.483 3.195 3.732 . 0 0 "[ . 1 . 2]" 1
445 1 3 ALA HA 2 54 GLY QA 3.200 . 4.500 4.615 4.403 4.767 0.267 10 0 "[ . 1 . 2]" 1
446 1 37 GLU HB3 1 39 LYS QG 3.100 . 6.000 5.268 5.098 5.705 . 0 0 "[ . 1 . 2]" 1
447 1 13 ILE HB 2 86 GLU HB2 3.500 . 6.000 1.739 1.584 1.976 . 0 0 "[ . 1 . 2]" 1
448 1 7 THR HA 1 9 LEU HG 3.500 . 5.100 4.055 3.530 4.683 . 0 0 "[ . 1 . 2]" 1
449 1 24 ALA HA 1 34 ASN QB 3.400 . 4.900 5.024 4.656 5.693 0.793 13 3 "[ * . 1 +-. 2]" 1
450 1 43 THR HG1 1 44 GLN H 2.800 . 3.800 2.641 2.460 2.820 . 0 0 "[ . 1 . 2]" 1
451 1 37 GLU H 1 43 THR HG1 3.300 . 6.000 5.897 5.265 6.094 0.094 20 0 "[ . 1 . 2]" 1
452 1 1 MET HB2 2 43 THR HG1 3.500 . 4.200 3.286 3.025 3.742 . 0 0 "[ . 1 . 2]" 1
453 1 16 VAL HA 1 86 GLU QG 3.300 . 4.700 4.270 4.037 4.593 . 0 0 "[ . 1 . 2]" 1
454 1 38 PHE QD 1 43 THR HG1 3.500 . 6.000 5.201 5.072 5.331 . 0 0 "[ . 1 . 2]" 1
455 1 36 ASN H 1 39 LYS QG 5.100 . 6.300 3.884 3.746 4.284 . 0 0 "[ . 1 . 2]" 1
456 1 71 LEU HG 1 75 GLU HB2 2.500 . 3.300 2.114 1.637 2.569 0.063 2 0 "[ . 1 . 2]" 1
457 1 48 HIS QB 1 51 LYS QE 2.800 . 3.300 1.956 1.628 3.025 0.372 19 0 "[ . 1 . 2]" 1
458 1 16 VAL HA 1 83 LEU HG 2.700 . 3.600 2.732 2.504 2.841 . 0 0 "[ . 1 . 2]" 1
459 1 8 GLU HB3 1 9 LEU HG 2.900 . 4.000 3.666 3.351 4.071 0.071 14 0 "[ . 1 . 2]" 1
460 1 58 GLU HG3 1 59 LYS QG 3.100 . 4.300 3.030 1.901 4.182 . 0 0 "[ . 1 . 2]" 1
461 1 20 PHE QE 1 41 LEU HG 2.800 . 3.800 2.682 2.198 3.330 . 0 0 "[ . 1 . 2]" 1
462 1 1 MET QG 2 39 LYS HA 2.700 . 3.600 2.091 1.547 2.457 0.453 12 0 "[ . 1 . 2]" 1
463 1 22 THR HA 1 22 THR HB 3.300 . 4.300 2.181 2.134 2.238 . 0 0 "[ . 1 . 2]" 1
464 1 97 LYS QD 1 97 LYS QE 3.200 . 3.800 1.752 1.701 1.784 0.199 20 0 "[ . 1 . 2]" 1
465 1 69 SER HA 1 70 GLU H 2.900 . 3.800 2.694 2.627 2.756 . 0 0 "[ . 1 . 2]" 1
466 1 93 LEU HA 1 93 LEU HG 2.700 . 3.600 2.075 1.974 2.218 . 0 0 "[ . 1 . 2]" 1
467 1 39 LYS HA 1 41 LEU QB 2.800 . 3.800 2.204 2.037 2.349 . 0 0 "[ . 1 . 2]" 1
468 1 71 LEU HG 1 78 ARG HB2 3.400 . 4.900 3.160 2.682 3.316 . 0 0 "[ . 1 . 2]" 1
469 1 2 ALA H 2 59 LYS HA 2.400 . 3.100 1.963 1.690 2.163 0.010 14 0 "[ . 1 . 2]" 1
470 1 46 LEU HG 1 56 LEU HA 3.300 . 4.700 3.929 3.601 4.344 . 0 0 "[ . 1 . 2]" 1
471 1 42 ALA H 1 46 LEU HG 3.100 . 6.000 5.307 5.050 5.611 . 0 0 "[ . 1 . 2]" 1
472 1 36 ASN QB 1 37 GLU HA 3.000 . 4.100 3.316 2.952 3.499 . 0 0 "[ . 1 . 2]" 1
473 1 87 VAL H 1 88 ARG HB2 3.400 . 4.900 4.014 3.778 4.230 . 0 0 "[ . 1 . 2]" 1
474 1 9 LEU HG 2 20 PHE QB 3.100 . 4.300 3.274 2.854 3.960 . 0 0 "[ . 1 . 2]" 1
475 1 36 ASN QB 1 38 PHE HB2 3.400 . 6.000 4.821 4.727 4.909 . 0 0 "[ . 1 . 2]" 1
476 1 20 PHE QE 1 85 LYS HA 3.300 . 6.000 5.977 5.709 6.092 0.092 18 0 "[ . 1 . 2]" 1
477 1 73 PHE H 2 95 ILE MG 3.000 . 6.000 4.419 3.756 5.876 . 0 0 "[ . 1 . 2]" 1
478 1 11 ALA HA 1 14 GLU H 2.800 . 3.800 2.828 2.793 2.866 . 0 0 "[ . 1 . 2]" 1
479 1 12 ALA HA 2 15 THR HG1 3.400 . 4.900 1.946 1.911 1.987 . 0 0 "[ . 1 . 2]" 1
480 1 62 THR HG1 1 65 VAL HB 3.900 . 5.800 4.063 3.810 4.339 . 0 0 "[ . 1 . 2]" 1
481 1 9 LEU HG 2 21 PHE QD 3.400 . 4.800 3.901 3.743 4.025 . 0 0 "[ . 1 . 2]" 1
482 1 19 THR HA 1 21 PHE H 3.300 . 4.700 3.252 3.129 3.520 . 0 0 "[ . 1 . 2]" 1
483 1 37 GLU H 1 39 LYS H 3.700 . 5.400 3.452 3.374 3.521 . 0 0 "[ . 1 . 2]" 1
484 1 56 LEU HA 1 57 ASP HB2 4.000 . 6.000 4.841 4.673 4.950 . 0 0 "[ . 1 . 2]" 1
485 1 42 ALA HA 1 59 LYS QD 3.200 . 6.000 2.959 1.782 3.537 . 0 0 "[ . 1 . 2]" 1
486 1 39 LYS QG 1 60 MET HA 4.300 . 6.000 5.515 4.731 5.766 . 0 0 "[ . 1 . 2]" 1
487 1 84 ALA HA 1 88 ARG QG 3.600 . 5.200 3.852 3.195 4.524 . 0 0 "[ . 1 . 2]" 1
488 1 88 ARG HA 1 92 ALA H 3.100 . 4.300 3.675 3.539 3.799 . 0 0 "[ . 1 . 2]" 1
489 1 84 ALA HA 1 88 ARG HA 4.200 . 6.000 4.425 4.140 4.776 . 0 0 "[ . 1 . 2]" 1
490 1 20 PHE QD 1 41 LEU HG 3.700 . 5.400 3.833 3.136 4.462 . 0 0 "[ . 1 . 2]" 1
491 1 47 PRO HA 1 48 HIS QB 4.000 . 6.000 3.325 3.251 3.554 . 0 0 "[ . 1 . 2]" 1
492 1 8 GLU HB3 1 8 GLU HG2 4.100 . 6.000 1.862 1.823 1.940 0.177 8 0 "[ . 1 . 2]" 1
493 1 1 MET QG 2 59 LYS QG 4.400 . 6.000 2.596 1.701 3.541 0.299 16 0 "[ . 1 . 2]" 1
494 1 6 LEU HA 2 89 LYS QG 3.600 . 5.200 3.563 2.912 4.086 . 0 0 "[ . 1 . 2]" 1
495 1 30 LYS HB2 1 72 ARG HB2 4.200 . 6.000 3.484 2.350 4.241 . 0 0 "[ . 1 . 2]" 1
496 1 5 THR H 2 51 LYS HA 3.200 . 4.500 2.294 2.279 2.307 . 0 0 "[ . 1 . 2]" 1
497 1 7 THR H 1 10 GLU HA 3.900 . 5.800 4.318 4.218 4.376 . 0 0 "[ . 1 . 2]" 1
498 1 48 HIS QB 1 51 LYS H 3.800 . 5.600 2.579 2.193 2.872 . 0 0 "[ . 1 . 2]" 1
499 1 80 ILE HA 2 84 ALA HA 3.700 . 5.400 2.580 2.115 3.410 . 0 0 "[ . 1 . 2]" 1
500 1 32 SER HA 1 32 SER QB . . 3.100 2.021 1.917 2.078 . 0 0 "[ . 1 . 2]" 1
501 1 73 PHE QE 1 75 GLU HB2 2.600 . 6.000 1.950 1.532 2.293 . 0 0 "[ . 1 . 2]" 1
502 1 38 PHE HB2 1 41 LEU HG 3.300 . 4.300 3.568 3.248 3.831 . 0 0 "[ . 1 . 2]" 1
503 1 69 SER HA 1 78 ARG H 4.200 . 6.000 4.407 3.770 5.471 . 0 0 "[ . 1 . 2]" 1
504 1 67 GLN QE 1 67 GLN QG 2.900 . 3.900 1.890 1.556 2.519 0.344 20 0 "[ . 1 . 2]" 1
505 1 13 ILE HA 1 17 VAL HB 3.700 . 5.400 2.706 1.623 3.407 0.377 1 0 "[ . 1 . 2]" 1
506 1 16 VAL H 1 17 VAL H 2.900 . 3.100 2.505 2.386 2.656 . 0 0 "[ . 1 . 2]" 1
507 1 25 GLY H 1 26 ARG QB 3.600 . 5.300 4.193 3.963 4.489 . 0 0 "[ . 1 . 2]" 1
508 1 24 ALA H 1 25 GLY H 2.400 . 3.100 2.471 2.260 2.577 . 0 0 "[ . 1 . 2]" 1
509 1 94 GLY H 1 95 ILE MG 3.200 . 4.500 3.913 3.404 4.339 . 0 0 "[ . 1 . 2]" 1
510 1 93 LEU HB2 1 94 GLY H 2.800 . 3.800 2.864 2.673 3.152 . 0 0 "[ . 1 . 2]" 1
511 1 93 LEU H 1 94 GLY H 2.700 . 3.600 2.143 2.025 2.421 . 0 0 "[ . 1 . 2]" 1
512 1 93 LEU HG 1 94 GLY H 2.600 . 6.000 4.096 3.764 4.432 . 0 0 "[ . 1 . 2]" 1
513 1 32 SER H 1 32 SER QB 3.000 . 4.200 2.918 2.541 3.114 . 0 0 "[ . 1 . 2]" 1
514 1 32 SER H 1 33 LEU HB2 3.200 . 6.000 5.641 5.509 5.886 . 0 0 "[ . 1 . 2]" 1
515 1 32 SER H 1 32 SER HA 2.400 . 3.100 2.585 2.553 2.601 . 0 0 "[ . 1 . 2]" 1
516 1 30 LYS HA 1 32 SER H 3.300 . 6.000 4.765 4.137 5.645 . 0 0 "[ . 1 . 2]" 1
517 1 43 THR H 1 44 GLN HB2 3.300 . 4.600 3.845 3.419 4.240 . 0 0 "[ . 1 . 2]" 1
518 1 43 THR H 1 47 PRO QD 3.900 . 5.800 5.267 4.945 5.622 . 0 0 "[ . 1 . 2]" 1
519 1 61 LYS HG2 1 62 THR H 3.400 . 3.600 2.699 1.900 3.060 0.100 1 0 "[ . 1 . 2]" 1
520 1 61 LYS HD2 1 62 THR H 2.900 . 6.000 3.940 3.643 4.204 . 0 0 "[ . 1 . 2]" 1
521 1 67 GLN QE 1 73 PHE QE 3.700 . 6.000 5.255 3.885 5.880 . 0 0 "[ . 1 . 2]" 1
522 1 67 GLN QE 1 67 GLN QG 2.100 . 2.700 2.110 1.850 2.642 . 0 0 "[ . 1 . 2]" 1
523 1 67 GLN HB2 1 67 GLN QE 3.900 . 5.800 3.692 3.143 4.076 . 0 0 "[ . 1 . 2]" 1
524 1 54 GLY H 1 55 SER HB2 3.300 . 6.000 5.400 4.926 5.694 . 0 0 "[ . 1 . 2]" 1
525 1 4 GLU QB 2 54 GLY H 3.300 . 4.700 2.616 1.998 3.475 . 0 0 "[ . 1 . 2]" 1
526 1 53 VAL HB 1 54 GLY H 3.200 . 4.500 4.000 3.909 4.077 . 0 0 "[ . 1 . 2]" 1
527 1 54 GLY H 1 54 GLY HA3 4.100 . 6.000 2.000 1.984 2.023 0.016 17 0 "[ . 1 . 2]" 1
528 1 67 GLN HA 1 67 GLN QE 4.200 . 6.000 4.067 3.391 4.638 . 0 0 "[ . 1 . 2]" 1
529 1 7 THR H 2 86 GLU HA 3.500 . 5.000 3.174 2.714 3.431 . 0 0 "[ . 1 . 2]" 1
530 1 6 LEU QB 1 7 THR H 2.500 . 3.300 3.274 2.912 3.518 0.218 17 0 "[ . 1 . 2]" 1
531 1 7 THR H 1 10 GLU HA 3.600 . 5.300 5.004 4.725 5.154 . 0 0 "[ . 1 . 2]" 1
532 1 45 GLN H 1 45 GLN HB2 2.600 . 3.400 2.172 1.952 2.721 . 0 0 "[ . 1 . 2]" 1
533 1 42 ALA HA 1 45 GLN H 3.500 . 4.900 3.214 2.961 3.447 . 0 0 "[ . 1 . 2]" 1
534 1 43 THR H 1 45 GLN H 3.400 . 4.800 3.342 3.134 3.572 . 0 0 "[ . 1 . 2]" 1
535 1 41 LEU HA 1 45 GLN H 3.000 . 4.100 2.761 2.706 2.837 . 0 0 "[ . 1 . 2]" 1
536 1 45 GLN H 2 1 MET QG 3.200 . 6.000 5.325 4.804 5.614 . 0 0 "[ . 1 . 2]" 1
537 1 73 PHE HB2 1 74 SER H 2.200 . 2.800 2.266 1.685 2.719 . 0 0 "[ . 1 . 2]" 1
538 1 74 SER H 1 75 GLU HB2 . . 3.600 3.708 3.466 4.113 0.513 12 1 "[ . 1 + . 2]" 1
539 1 73 PHE H 1 74 SER H . . 2.200 3.145 3.001 3.371 1.171 20 20 [*********-*********+] 1
540 1 71 LEU HG 1 74 SER H 3.700 . 5.400 3.432 3.014 4.126 . 0 0 "[ . 1 . 2]" 1
541 1 8 GLU HG2 2 45 GLN QE 2.900 . 6.000 4.560 3.647 5.153 . 0 0 "[ . 1 . 2]" 1
542 1 45 GLN QE 1 48 HIS QB 5.400 4.000 6.800 5.292 4.528 5.911 . 0 0 "[ . 1 . 2]" 1
543 1 54 GLY HA2 1 55 SER H 2.200 . 2.800 1.889 1.760 2.013 . 0 0 "[ . 1 . 2]" 1
544 1 65 VAL HA 1 67 GLN H 2.400 . 6.000 3.499 3.343 3.655 . 0 0 "[ . 1 . 2]" 1
545 1 64 ASP HB3 1 66 ASN H 2.500 . 6.000 5.010 4.575 5.291 . 0 0 "[ . 1 . 2]" 1
546 1 5 THR H 2 51 LYS QG 3.100 . 6.000 3.945 3.424 4.197 . 0 0 "[ . 1 . 2]" 1
547 1 38 PHE HB2 1 69 SER H 3.800 . 5.600 5.502 4.837 6.017 0.417 20 0 "[ . 1 . 2]" 1
548 1 20 PHE HB3 1 21 PHE H . . 3.000 2.482 2.263 2.877 . 0 0 "[ . 1 . 2]" 1
549 1 69 SER H 1 69 SER HB2 2.800 . 3.800 2.346 2.156 2.641 . 0 0 "[ . 1 . 2]" 1
550 1 20 PHE H 1 21 PHE H 2.400 . 3.100 2.098 1.985 2.210 . 0 0 "[ . 1 . 2]" 1
551 1 67 GLN QG 1 69 SER H 3.200 . 4.500 4.126 3.873 4.425 . 0 0 "[ . 1 . 2]" 1
552 1 68 ASP HA 1 69 SER H 2.600 . 3.500 2.721 2.500 2.879 . 0 0 "[ . 1 . 2]" 1
553 1 21 PHE H 1 23 PHE QD 3.200 . 4.500 4.486 3.505 4.867 0.367 5 0 "[ . 1 . 2]" 1
554 1 19 THR HB 1 21 PHE H 2.500 . 6.000 4.297 3.997 4.614 . 0 0 "[ . 1 . 2]" 1
555 1 17 VAL HB 1 21 PHE H 3.400 . 4.800 4.704 4.323 4.874 0.074 17 0 "[ . 1 . 2]" 1
556 1 21 PHE H 1 37 GLU HB3 3.300 . 4.700 4.007 3.791 4.238 . 0 0 "[ . 1 . 2]" 1
557 1 85 LYS H 1 85 LYS HB2 2.400 . 3.100 2.128 1.847 2.440 . 0 0 "[ . 1 . 2]" 1
558 1 83 LEU HG 1 85 LYS H 3.000 . 6.000 5.232 4.921 5.508 . 0 0 "[ . 1 . 2]" 1
559 1 70 GLU H 1 78 ARG H 3.800 . 6.000 5.872 5.743 6.092 0.092 13 0 "[ . 1 . 2]" 1
560 1 68 ASP QB 1 70 GLU H 3.400 . 4.800 3.784 3.448 3.958 . 0 0 "[ . 1 . 2]" 1
561 1 70 GLU H 1 70 GLU HA 2.400 . 3.100 2.614 2.590 2.629 . 0 0 "[ . 1 . 2]" 1
562 1 34 ASN HA 1 35 ILE H 2.200 . 2.800 2.827 2.324 3.101 0.301 13 0 "[ . 1 . 2]" 1
563 1 68 ASP H 1 70 GLU H 3.100 . 6.000 4.333 3.984 4.482 . 0 0 "[ . 1 . 2]" 1
564 1 70 GLU H 1 78 ARG HG2 3.100 . 6.000 4.421 3.776 4.876 . 0 0 "[ . 1 . 2]" 1
565 1 25 GLY QA 1 27 GLU H 3.100 . 6.000 3.548 3.220 3.954 . 0 0 "[ . 1 . 2]" 1
566 1 24 ALA HA 1 70 GLU H 2.500 . 6.000 4.120 3.305 4.906 . 0 0 "[ . 1 . 2]" 1
567 1 27 GLU H 1 27 GLU HG2 3.400 . 4.800 2.302 1.966 3.225 0.034 14 0 "[ . 1 . 2]" 1
568 1 69 SER HA 1 70 GLU H 3.000 . 4.100 3.059 2.994 3.090 . 0 0 "[ . 1 . 2]" 1
569 1 26 ARG QB 1 27 GLU H 3.100 . 4.300 2.131 1.835 2.577 0.065 3 0 "[ . 1 . 2]" 1
570 1 44 GLN H 1 46 LEU H 2.800 . 3.800 3.360 3.218 3.632 . 0 0 "[ . 1 . 2]" 1
571 1 41 LEU HA 1 44 GLN H 2.500 . 3.300 2.524 2.505 2.540 . 0 0 "[ . 1 . 2]" 1
572 1 78 ARG HB2 1 80 ILE H 3.700 . 5.400 3.408 2.987 4.053 . 0 0 "[ . 1 . 2]" 1
573 1 48 HIS H 1 48 HIS QB 3.200 . 4.500 1.955 1.856 2.092 0.044 2 0 "[ . 1 . 2]" 1
574 1 22 THR H 1 23 PHE H 2.500 . 3.300 2.337 2.175 2.516 . 0 0 "[ . 1 . 2]" 1
575 1 23 PHE H 1 24 ALA H 2.400 . 3.100 2.350 2.065 2.559 . 0 0 "[ . 1 . 2]" 1
576 1 23 PHE H 1 23 PHE QB 3.200 . 4.500 1.907 1.791 2.136 0.109 5 0 "[ . 1 . 2]" 1
577 1 22 THR HB 1 23 PHE H 3.100 . 4.300 3.683 3.539 3.881 . 0 0 "[ . 1 . 2]" 1
578 1 36 ASN H 1 39 LYS H 2.400 . 3.100 3.619 3.570 3.709 0.609 14 13 "[***-.** 1** +**** 2]" 1
579 1 42 ALA HA 1 52 ASP H 3.400 . 6.000 4.577 4.106 4.882 . 0 0 "[ . 1 . 2]" 1
580 1 39 LYS H 1 39 LYS HA 2.300 . 2.900 1.915 1.864 2.023 . 0 0 "[ . 1 . 2]" 1
581 1 32 SER QB 1 68 ASP H 2.800 . 6.000 5.200 4.631 5.777 . 0 0 "[ . 1 . 2]" 1
582 1 50 LEU HG 1 52 ASP H 5.400 . 6.400 5.324 4.906 5.643 . 0 0 "[ . 1 . 2]" 1
583 1 83 LEU H 1 84 ALA HA 3.300 . 4.700 4.610 4.563 4.662 . 0 0 "[ . 1 . 2]" 1
584 1 10 GLU H 1 10 GLU HG2 2.800 . 3.800 2.293 2.190 2.641 . 0 0 "[ . 1 . 2]" 1
585 1 19 THR HA 1 20 PHE H 2.900 . 3.900 3.113 3.097 3.131 . 0 0 "[ . 1 . 2]" 1
586 1 19 THR HG1 1 20 PHE H 2.700 . 3.600 1.723 1.677 1.791 0.123 7 0 "[ . 1 . 2]" 1
587 1 61 LYS HA 1 64 ASP H 3.400 . 4.800 2.260 1.970 2.400 0.030 3 0 "[ . 1 . 2]" 1
588 1 83 LEU H 1 86 GLU H 3.200 . 6.000 4.978 4.784 5.352 . 0 0 "[ . 1 . 2]" 1
589 1 20 PHE H 1 20 PHE HA 2.400 . 3.100 2.562 2.540 2.581 . 0 0 "[ . 1 . 2]" 1
590 1 19 THR HB 1 20 PHE H 2.800 . 3.800 2.265 1.959 2.496 . 0 0 "[ . 1 . 2]" 1
591 1 15 THR H 1 15 THR HB 2.100 . 2.700 2.270 2.236 2.369 . 0 0 "[ . 1 . 2]" 1
592 1 38 PHE H 1 38 PHE HB2 2.100 . 2.600 2.059 1.918 2.125 . 0 0 "[ . 1 . 2]" 1
593 1 20 PHE HB3 1 22 THR H 3.200 . 6.000 4.162 4.033 4.270 . 0 0 "[ . 1 . 2]" 1
594 1 21 PHE HA 1 22 THR H 3.500 . 5.000 2.996 2.840 3.061 . 0 0 "[ . 1 . 2]" 1
595 1 15 THR H 1 17 VAL HB 2.800 . 6.000 5.088 4.824 5.365 . 0 0 "[ . 1 . 2]" 1
596 1 57 ASP H 1 58 GLU H 3.200 . 4.500 2.387 2.108 2.530 . 0 0 "[ . 1 . 2]" 1
597 1 57 ASP H 1 57 ASP HB2 3.000 . 4.100 2.419 1.952 2.727 . 0 0 "[ . 1 . 2]" 1
598 1 46 LEU H 1 53 VAL H 2.800 . 6.000 6.116 5.810 6.347 0.347 10 0 "[ . 1 . 2]" 1
599 1 15 THR H 1 16 VAL HB 3.800 . 5.600 4.475 4.241 4.560 . 0 0 "[ . 1 . 2]" 1
600 1 60 MET H 1 60 MET HG2 4.500 . 6.000 2.750 2.152 3.491 . 0 0 "[ . 1 . 2]" 1
601 1 59 LYS H 1 60 MET H 2.300 . 3.000 2.267 2.183 2.363 . 0 0 "[ . 1 . 2]" 1
602 1 15 THR H 1 15 THR HG1 2.600 . 3.400 3.006 2.904 3.117 . 0 0 "[ . 1 . 2]" 1
603 1 20 PHE H 1 22 THR H 3.200 . 4.500 3.376 3.232 3.453 . 0 0 "[ . 1 . 2]" 1
604 1 14 GLU HB2 1 15 THR H 2.400 . 3.100 2.475 2.288 3.405 0.305 15 0 "[ . 1 . 2]" 1
605 1 59 LYS QB 1 60 MET H 2.800 . 3.800 2.580 2.423 2.710 . 0 0 "[ . 1 . 2]" 1
606 1 13 ILE HA 1 15 THR H 3.000 . 3.900 3.755 3.438 3.932 0.032 19 0 "[ . 1 . 2]" 1
607 1 9 LEU H 1 9 LEU QB 2.700 . 3.600 2.412 2.282 2.600 . 0 0 "[ . 1 . 2]" 1
608 1 35 ILE H 1 38 PHE H 3.300 . 4.700 4.337 4.161 4.723 0.023 2 0 "[ . 1 . 2]" 1
609 1 7 THR MG 1 9 LEU H 3.200 . 4.500 3.433 2.980 3.821 . 0 0 "[ . 1 . 2]" 1
610 1 95 ILE H 1 95 ILE MG 2.500 . 3.300 2.045 1.683 2.430 0.117 8 0 "[ . 1 . 2]" 1
611 1 7 THR HB 1 9 LEU H 2.600 . 3.400 2.110 1.944 2.440 . 0 0 "[ . 1 . 2]" 1
612 1 95 ILE H 2 76 TYR QD 3.400 . 4.800 4.495 4.336 4.670 . 0 0 "[ . 1 . 2]" 1
613 1 7 THR MG 1 8 GLU H 2.600 . 3.400 2.269 1.779 3.020 0.021 10 0 "[ . 1 . 2]" 1
614 1 8 GLU H 1 10 GLU HG2 2.500 . 6.000 4.230 3.813 4.598 . 0 0 "[ . 1 . 2]" 1
615 1 8 GLU H 1 8 GLU HA 2.200 . 2.800 2.418 2.390 2.564 . 0 0 "[ . 1 . 2]" 1
616 1 7 THR HB 1 8 GLU H 1.900 . 2.300 2.267 1.951 2.439 0.139 10 0 "[ . 1 . 2]" 1
617 1 10 GLU H 2 86 GLU H 3.900 . 5.800 4.755 4.218 5.095 . 0 0 "[ . 1 . 2]" 1
618 1 16 VAL HA 1 17 VAL H 2.600 . 3.100 3.146 3.102 3.173 0.073 19 0 "[ . 1 . 2]" 1
619 1 15 THR H 1 17 VAL H 3.300 . 4.700 3.448 3.270 3.673 . 0 0 "[ . 1 . 2]" 1
620 1 9 LEU HG 2 86 GLU H 3.800 . 5.600 4.518 3.845 5.017 . 0 0 "[ . 1 . 2]" 1
621 1 48 HIS QB 1 53 VAL H 3.100 . 4.300 3.427 3.228 3.704 . 0 0 "[ . 1 . 2]" 1
622 1 86 GLU H 1 86 GLU QB 2.700 . 3.600 2.494 2.286 2.748 . 0 0 "[ . 1 . 2]" 1
623 1 85 LYS HA 1 86 GLU H 2.500 . 3.300 2.914 2.841 3.029 . 0 0 "[ . 1 . 2]" 1
624 1 83 LEU HB2 1 86 GLU H 2.700 . 6.000 5.317 5.092 5.831 . 0 0 "[ . 1 . 2]" 1
625 1 78 ARG HB2 1 79 LEU H 2.300 . 3.000 2.541 2.301 2.892 . 0 0 "[ . 1 . 2]" 1
626 1 79 LEU H 1 79 LEU HB2 2.500 . 3.300 2.615 2.070 2.825 . 0 0 "[ . 1 . 2]" 1
627 1 79 LEU H 1 79 LEU HG 2.200 . 2.800 1.811 1.576 2.940 0.140 15 0 "[ . 1 . 2]" 1
628 1 40 GLU H 1 42 ALA H 2.200 . 2.800 2.562 2.515 2.606 . 0 0 "[ . 1 . 2]" 1
629 1 41 LEU H 1 42 ALA H 2.400 . 3.100 2.870 2.819 2.909 . 0 0 "[ . 1 . 2]" 1
630 1 10 GLU HG2 1 11 ALA H 3.500 . 5.000 3.373 3.135 3.545 . 0 0 "[ . 1 . 2]" 1
631 1 9 LEU HG 1 11 ALA H 2.700 . 3.600 3.799 3.695 4.063 0.463 2 0 "[ . 1 . 2]" 1
632 1 77 TRP H 1 77 TRP HB2 3.000 . 4.100 3.216 3.196 3.261 . 0 0 "[ . 1 . 2]" 1
633 1 77 TRP H 1 77 TRP HA 2.400 . 3.100 2.510 2.490 2.536 . 0 0 "[ . 1 . 2]" 1
634 1 6 LEU QB 1 11 ALA H 4.100 2.900 5.300 5.100 4.939 5.369 0.069 2 0 "[ . 1 . 2]" 1
635 1 71 LEU HA 1 79 LEU H 4.100 . 6.000 6.378 5.712 7.183 1.183 8 6 "[ **.- + 1 *. * 2]" 1
636 1 51 LYS H 1 51 LYS HA 2.600 . 3.500 2.385 2.358 2.547 . 0 0 "[ . 1 . 2]" 1
637 1 8 GLU HA 1 11 ALA H 3.100 . 4.300 2.425 2.396 2.460 . 0 0 "[ . 1 . 2]" 1
638 1 10 GLU H 1 11 ALA H 3.600 . 5.200 2.218 2.118 2.312 . 0 0 "[ . 1 . 2]" 1
639 1 37 GLU H 1 37 GLU HG2 2.300 . 3.000 2.523 1.834 3.636 0.636 11 1 "[ . 1+ . 2]" 1
640 1 77 TRP H 1 77 TRP HZ3 3.900 . 5.800 4.341 4.269 4.391 . 0 0 "[ . 1 . 2]" 1
641 1 37 GLU H 1 37 GLU HB3 2.100 . 2.700 2.599 2.301 2.730 0.030 17 0 "[ . 1 . 2]" 1
642 1 39 LYS HA 1 40 GLU H 2.900 . 3.900 2.683 2.670 2.694 . 0 0 "[ . 1 . 2]" 1
643 1 27 GLU H 1 37 GLU H 3.400 . 4.800 4.691 4.528 4.834 0.034 4 0 "[ . 1 . 2]" 1
644 1 35 ILE H 1 37 GLU H 3.800 . 4.900 4.478 4.234 4.943 0.043 2 0 "[ . 1 . 2]" 1
645 1 76 TYR H 1 77 TRP H 2.400 . 3.100 2.446 2.138 2.722 . 0 0 "[ . 1 . 2]" 1
646 1 81 GLY QA 1 84 ALA H 2.900 . 4.000 3.030 2.936 3.119 . 0 0 "[ . 1 . 2]" 1
647 1 82 GLU H 1 84 ALA H 2.900 . 3.900 3.131 3.054 3.206 . 0 0 "[ . 1 . 2]" 1
648 1 46 LEU H 1 46 LEU HG 2.500 . 3.300 2.821 1.882 3.058 . 0 0 "[ . 1 . 2]" 1
649 1 11 ALA H 1 12 ALA H 2.300 . 3.000 2.312 2.153 2.391 . 0 0 "[ . 1 . 2]" 1
650 1 10 GLU HA 2 87 VAL H 4.300 . 6.000 4.675 4.377 4.968 . 0 0 "[ . 1 . 2]" 1
651 1 82 GLU H 1 82 GLU HB2 2.300 . 3.000 2.140 2.021 2.270 . 0 0 "[ . 1 . 2]" 1
652 1 82 GLU H 1 83 LEU H 2.600 . 3.400 2.332 2.234 2.444 . 0 0 "[ . 1 . 2]" 1
653 1 65 VAL H 1 65 VAL HB 3.600 . 5.300 2.268 2.221 2.319 . 0 0 "[ . 1 . 2]" 1
654 1 71 LEU H 1 71 LEU HG 2.800 . 3.800 3.517 3.011 3.865 0.065 13 0 "[ . 1 . 2]" 1
655 1 71 LEU H 1 71 LEU HA 2.500 . 3.300 2.554 2.512 2.588 . 0 0 "[ . 1 . 2]" 1
656 1 75 GLU H 1 76 TYR QB 3.600 . 5.200 4.313 4.011 4.555 . 0 0 "[ . 1 . 2]" 1
657 1 75 GLU H 1 75 GLU HA 2.300 . 3.000 2.518 2.482 2.563 . 0 0 "[ . 1 . 2]" 1
658 1 96 ARG QB 1 97 LYS H 3.600 . 5.300 2.599 2.350 2.937 . 0 0 "[ . 1 . 2]" 1
659 1 75 GLU H 1 76 TYR H 2.500 . 3.300 2.615 2.303 2.983 . 0 0 "[ . 1 . 2]" 1
660 1 34 ASN H 1 70 GLU QG 3.700 . 5.400 4.691 3.450 5.267 . 0 0 "[ . 1 . 2]" 1
661 1 72 ARG HG2 1 75 GLU H 2.900 . 6.000 5.489 4.507 5.852 . 0 0 "[ . 1 . 2]" 1
662 1 75 GLU H 1 75 GLU HB2 2.600 . 3.300 2.097 1.785 2.379 0.115 14 0 "[ . 1 . 2]" 1
663 1 34 ASN H 1 67 GLN QG 3.100 . 6.000 5.568 4.796 5.986 . 0 0 "[ . 1 . 2]" 1
664 1 26 ARG QB 1 34 ASN H 3.600 . 5.200 3.527 3.178 4.478 . 0 0 "[ . 1 . 2]" 1
665 1 73 PHE H 1 73 PHE QD 2.400 . 3.100 1.699 1.598 2.402 0.102 15 0 "[ . 1 . 2]" 1
666 1 93 LEU HA 1 96 ARG H 2.400 . 6.000 5.191 4.845 5.602 . 0 0 "[ . 1 . 2]" 1
667 1 72 ARG HB2 1 73 PHE H 3.200 . 4.500 2.869 2.716 3.132 . 0 0 "[ . 1 . 2]" 1
668 1 95 ILE MG 1 96 ARG H 2.900 . 5.500 3.739 3.525 3.855 . 0 0 "[ . 1 . 2]" 1
669 1 96 ARG H 1 96 ARG QB 3.200 . 4.500 2.159 1.918 2.569 . 0 0 "[ . 1 . 2]" 1
670 1 72 ARG H 1 73 PHE H 2.200 . 2.800 1.720 1.659 1.820 . 0 0 "[ . 1 . 2]" 1
671 1 13 ILE HA 1 16 VAL H 3.100 2.600 3.800 3.311 3.040 3.456 . 0 0 "[ . 1 . 2]" 1
672 1 96 ARG H 1 97 LYS QG 3.700 . 5.400 3.245 2.873 3.411 . 0 0 "[ . 1 . 2]" 1
673 1 8 GLU HB3 2 16 VAL H 3.200 . 6.000 5.122 4.890 5.724 . 0 0 "[ . 1 . 2]" 1
674 1 15 THR HA 1 16 VAL H 2.800 . 3.800 3.120 3.100 3.137 . 0 0 "[ . 1 . 2]" 1
675 1 15 THR HG1 1 16 VAL H 3.500 . 5.100 3.964 3.855 4.125 . 0 0 "[ . 1 . 2]" 1
676 1 1 MET QG 1 2 ALA H 3.700 . 5.400 3.256 2.830 3.959 . 0 0 "[ . 1 . 2]" 1
677 1 33 LEU H 1 71 LEU HG 3.500 . 5.000 5.408 4.966 6.268 1.268 15 5 "[- * 1 * + * 2]" 1
678 1 27 GLU HG2 1 33 LEU H 3.300 . 6.000 5.665 4.756 6.857 0.857 8 4 "[ .- +*1 . * 2]" 1
679 1 33 LEU H 1 34 ASN HA 3.300 . 4.600 4.590 4.477 4.735 0.135 13 0 "[ . 1 . 2]" 1
680 1 98 LYS H 1 98 LYS HA 2.500 . 3.300 2.618 2.607 2.622 . 0 0 "[ . 1 . 2]" 1
681 1 77 TRP HD1 1 77 TRP HE1 3.200 . 4.500 2.269 2.260 2.282 . 0 0 "[ . 1 . 2]" 1
682 1 10 GLU HA 2 84 ALA HA 2.500 . 6.000 6.103 5.943 6.232 0.232 6 0 "[ . 1 . 2]" 1
683 1 3 ALA HA 1 7 THR MG 1.900 . 2.400 2.368 2.168 2.740 0.340 9 0 "[ . 1 . 2]" 1
684 1 1 MET HB2 2 39 LYS HA 1.400 . 2.200 1.609 1.500 1.750 . 0 0 "[ . 1 . 2]" 1
685 1 7 THR MG 2 53 VAL HA 2.300 . 6.000 2.689 2.535 3.311 . 0 0 "[ . 1 . 2]" 1
686 1 22 THR HG1 1 25 GLY QA 2.100 . 6.000 5.423 5.005 5.573 . 0 0 "[ . 1 . 2]" 1
687 1 6 LEU HG 2 86 GLU HA 2.100 . 6.000 2.687 1.791 3.614 . 0 0 "[ . 1 . 2]" 1
688 1 39 LYS QG 1 43 THR HG1 2.600 . 6.000 5.689 5.431 5.823 . 0 0 "[ . 1 . 2]" 1
689 1 55 SER HA 1 59 LYS QG 1.500 . 2.200 2.122 2.067 2.170 . 0 0 "[ . 1 . 2]" 1
690 1 21 PHE HA 1 22 THR HG1 2.200 . 2.800 3.007 2.987 3.033 0.233 1 0 "[ . 1 . 2]" 1
691 1 7 THR MG 2 22 THR HG1 6.500 . 8.000 8.053 7.303 8.168 0.168 7 0 "[ . 1 . 2]" 1
692 1 5 THR HA 1 5 THR MG 2.000 . 2.500 1.843 1.680 2.107 . 0 0 "[ . 1 . 2]" 1
693 1 36 ASN QB 1 38 PHE HB2 3.100 . 5.600 5.031 4.948 5.127 . 0 0 "[ . 1 . 2]" 1
694 1 58 GLU HA 1 61 LYS HB2 1.700 . 2.200 2.137 1.977 2.237 0.037 7 0 "[ . 1 . 2]" 1
695 1 67 GLN HA 1 67 GLN QG 1.600 . 2.200 1.647 1.591 1.733 . 0 0 "[ . 1 . 2]" 1
696 1 39 LYS QG 1 46 LEU HG 6.400 . 8.000 7.219 6.823 7.517 . 0 0 "[ . 1 . 2]" 1
697 1 18 SER HA 1 22 THR HG1 2.400 . 6.000 4.199 2.894 4.869 . 0 0 "[ . 1 . 2]" 1
698 1 59 LYS QG 2 4 GLU HA 1.900 . 6.000 2.431 2.295 2.660 . 0 0 "[ . 1 . 2]" 1
699 1 59 LYS HA 1 59 LYS QB 1.900 . 6.000 2.279 2.224 2.344 . 0 0 "[ . 1 . 2]" 1
700 1 37 GLU HA 1 38 PHE HA 3.300 . 4.600 3.437 3.426 3.452 . 0 0 "[ . 1 . 2]" 1
701 1 69 SER HA 1 78 ARG HG2 2.600 . 6.000 3.480 3.084 3.636 . 0 0 "[ . 1 . 2]" 1
702 1 40 GLU HA 1 41 LEU HG 2.500 . 6.000 5.159 4.781 5.545 . 0 0 "[ . 1 . 2]" 1
703 1 19 THR HG1 1 83 LEU HG 2.000 . 6.000 3.296 2.628 3.624 . 0 0 "[ . 1 . 2]" 1
704 1 4 GLU HA 1 4 GLU QB 1.700 . 2.200 2.048 1.904 2.207 0.007 4 0 "[ . 1 . 2]" 1
705 1 53 VAL HA 1 53 VAL HB 1.900 . 2.400 2.266 2.044 2.381 . 0 0 "[ . 1 . 2]" 1
706 1 25 GLY QA 1 29 ARG HB2 2.200 . 6.000 5.121 4.813 5.322 . 0 0 "[ . 1 . 2]" 1
707 1 5 THR MG 1 10 GLU HA 3.500 . 6.000 6.412 5.720 6.779 0.779 10 6 "[* . *+ - .** 2]" 1
708 1 78 ARG HA 1 80 ILE MG 2.000 . 3.000 2.946 2.759 3.118 0.118 2 0 "[ . 1 . 2]" 1
709 1 57 ASP HA 1 60 MET HB2 2.000 . 2.500 2.054 1.907 2.260 0.093 16 0 "[ . 1 . 2]" 1
710 1 95 ILE MG 1 96 ARG HG3 2.900 . 6.000 4.444 3.829 4.904 . 0 0 "[ . 1 . 2]" 1
711 1 58 GLU HG3 1 59 LYS HA 2.100 . 2.700 2.657 2.390 2.780 0.080 5 0 "[ . 1 . 2]" 1
712 1 8 GLU HA 1 8 GLU HG2 2.000 . 2.500 2.108 1.987 2.165 . 0 0 "[ . 1 . 2]" 1
713 1 9 LEU HG 2 83 LEU HA 2.400 . 3.100 2.803 2.060 3.050 . 0 0 "[ . 1 . 2]" 1
714 1 71 LEU QB 1 76 TYR HA 1.800 . 2.200 1.860 1.587 2.227 0.113 15 0 "[ . 1 . 2]" 1
715 1 83 LEU HB2 1 84 ALA HA 2.100 . 6.000 3.545 3.234 3.753 . 0 0 "[ . 1 . 2]" 1
716 1 4 GLU HG2 2 54 GLY QA 1.600 . 2.200 1.946 1.633 2.328 0.128 4 0 "[ . 1 . 2]" 1
717 1 1 MET HA 2 41 LEU QB 2.600 . 6.000 3.190 2.992 3.537 . 0 0 "[ . 1 . 2]" 1
718 1 35 ILE MG 1 67 GLN HA 2.000 . 2.500 1.711 1.532 2.187 . 0 0 "[ . 1 . 2]" 1
719 1 26 ARG HA 1 26 ARG HD2 2.800 . 3.800 1.978 1.612 2.256 0.288 2 0 "[ . 1 . 2]" 1
720 1 78 ARG HG2 1 80 ILE MG 2.100 . 6.000 4.213 3.779 4.616 . 0 0 "[ . 1 . 2]" 1
721 1 85 LYS HA 1 89 LYS QG 2.000 . 6.000 5.304 4.595 5.783 . 0 0 "[ . 1 . 2]" 1
722 1 4 GLU HA 1 4 GLU HG2 2.500 . 3.300 2.763 2.013 3.445 0.145 3 0 "[ . 1 . 2]" 1
723 1 88 ARG HA 1 88 ARG QG 2.100 . 2.600 2.172 1.855 2.360 . 0 0 "[ . 1 . 2]" 1
724 1 95 ILE HA 1 95 ILE HB 2.200 . 2.800 2.216 2.119 2.284 . 0 0 "[ . 1 . 2]" 1
725 1 43 THR HA 1 43 THR HB 2.300 . 3.000 2.229 2.110 2.288 . 0 0 "[ . 1 . 2]" 1
726 1 8 GLU HA 1 10 GLU HG2 3.000 . 4.100 2.959 2.288 3.364 . 0 0 "[ . 1 . 2]" 1
727 1 45 GLN HG2 2 1 MET QG 3.000 . 6.000 4.442 3.171 5.382 . 0 0 "[ . 1 . 2]" 1
728 1 4 GLU HG2 2 53 VAL HB 2.900 . 6.000 2.787 2.105 3.482 . 0 0 "[ . 1 . 2]" 1
729 1 4 GLU HG2 2 53 VAL HB 2.700 . 6.000 2.689 2.097 3.338 . 0 0 "[ . 1 . 2]" 1
730 1 80 ILE MG 2 87 VAL HA 3.000 . 6.000 6.873 6.358 7.107 1.107 13 18 "[******-*****+*.** **]" 1
731 1 24 ALA HA 1 26 ARG QB 4.800 . 5.800 3.385 3.036 3.836 . 0 0 "[ . 1 . 2]" 1
732 1 1 MET QG 2 59 LYS HA 3.100 . 6.000 4.053 3.495 4.777 . 0 0 "[ . 1 . 2]" 1
733 1 15 THR HA 1 16 VAL HA 2.600 . 3.400 2.317 2.278 2.361 . 0 0 "[ . 1 . 2]" 1
734 1 72 ARG HG2 1 76 TYR QB 2.900 . 6.000 5.306 4.908 5.483 . 0 0 "[ . 1 . 2]" 1
735 1 6 LEU HG 2 89 LYS QG 2.400 . 6.000 2.281 1.619 4.276 . 0 0 "[ . 1 . 2]" 1
736 1 27 GLU HG2 1 30 LYS HB2 2.000 . 6.000 4.945 4.342 5.361 . 0 0 "[ . 1 . 2]" 1
737 1 20 PHE QE 1 23 PHE QE 2.400 . 3.100 1.954 1.648 2.490 0.052 11 0 "[ . 1 . 2]" 1
738 1 20 PHE QE 1 23 PHE QE 2.500 . 3.300 2.086 1.669 3.319 0.031 11 0 "[ . 1 . 2]" 1
739 1 1 MET HA 2 43 THR HG1 3.100 . 4.300 4.247 4.163 4.310 0.010 1 0 "[ . 1 . 2]" 1
740 1 20 PHE QE 1 23 PHE QD 2.500 . 3.300 2.094 1.694 2.572 0.106 16 0 "[ . 1 . 2]" 1
741 1 5 THR HA 2 89 LYS HB2 2.200 . 2.800 2.039 1.595 2.176 0.005 2 0 "[ . 1 . 2]" 1
742 1 53 VAL HA 1 53 VAL HB 2.300 . 2.900 2.481 2.124 2.681 . 0 0 "[ . 1 . 2]" 1
743 1 21 PHE QD 1 23 PHE QD 3.000 . 4.000 3.872 2.877 4.438 0.438 14 0 "[ . 1 . 2]" 1
744 1 21 PHE HA 1 33 LEU HG 2.800 . 3.800 3.149 1.721 3.815 0.079 11 0 "[ . 1 . 2]" 1
745 1 33 LEU HB2 1 70 GLU QG 2.300 . 3.000 1.921 1.660 2.377 0.140 19 0 "[ . 1 . 2]" 1
746 1 37 GLU HG2 1 40 GLU HB3 3.700 . 5.400 4.263 3.819 4.684 . 0 0 "[ . 1 . 2]" 1
747 1 84 ALA HA 1 88 ARG QG 2.700 . 6.000 3.888 3.199 4.585 . 0 0 "[ . 1 . 2]" 1
748 1 27 GLU HG2 1 30 LYS HB2 2.400 . 3.100 3.164 2.593 3.287 0.187 2 0 "[ . 1 . 2]" 1
749 1 66 ASN QB 1 68 ASP QB 3.700 . 6.000 4.727 3.277 5.115 . 0 0 "[ . 1 . 2]" 1
750 1 4 GLU HA 2 58 GLU HB2 3.200 . 4.500 4.561 4.259 4.973 0.473 1 0 "[ . 1 . 2]" 1
751 1 94 GLY QA 1 97 LYS QG 2.600 . 6.000 3.875 2.907 4.558 . 0 0 "[ . 1 . 2]" 1
752 1 95 ILE HB 1 98 LYS HE2 2.500 . 3.300 3.355 2.580 3.666 0.366 9 0 "[ . 1 . 2]" 1
753 1 1 MET HA 2 59 LYS HA 2.900 . 4.000 2.405 2.218 2.570 . 0 0 "[ . 1 . 2]" 1
754 1 43 THR HA 1 46 LEU HG 2.000 . 2.500 2.767 2.542 2.875 0.375 14 0 "[ . 1 . 2]" 1
755 1 5 THR MG 1 7 THR MG 3.400 . 4.900 3.636 3.027 4.381 . 0 0 "[ . 1 . 2]" 1
756 1 13 ILE HG12 1 21 PHE QB 2.800 . 3.800 2.041 1.629 2.380 0.171 19 0 "[ . 1 . 2]" 1
757 1 80 ILE MG 1 82 GLU HG3 2.800 . 6.000 4.480 4.258 4.689 . 0 0 "[ . 1 . 2]" 1
758 1 6 LEU HA 1 10 GLU HB3 2.400 . 3.100 2.264 2.093 2.335 . 0 0 "[ . 1 . 2]" 1
759 1 6 LEU HA 1 6 LEU HG 2.600 . 3.400 2.305 2.030 2.976 . 0 0 "[ . 1 . 2]" 1
760 1 9 LEU HA 2 21 PHE QE 2.600 . 3.400 2.027 1.705 2.772 0.095 17 0 "[ . 1 . 2]" 1
761 1 51 LYS HB2 1 51 LYS QE 3.000 . 4.100 1.879 1.560 2.381 0.340 7 0 "[ . 1 . 2]" 1
762 1 1 MET QG 2 39 LYS HA 2.700 . 3.600 2.046 1.537 2.384 0.263 12 0 "[ . 1 . 2]" 1
763 1 41 LEU QB 1 44 GLN HB2 2.900 . 6.000 5.267 4.747 6.243 0.243 15 0 "[ . 1 . 2]" 1
764 1 57 ASP HA 1 58 GLU HA 3.300 . 4.700 3.593 3.549 3.661 . 0 0 "[ . 1 . 2]" 1
765 1 72 ARG HB2 2 97 LYS QG 3.200 . 6.000 4.053 3.231 4.757 . 0 0 "[ . 1 . 2]" 1
766 1 12 ALA HA 1 14 GLU HB2 2.900 . 3.900 3.496 3.357 4.618 0.718 15 1 "[ . 1 + 2]" 1
767 1 21 PHE QE 1 83 LEU HG 3.000 . 4.100 1.964 1.804 2.118 0.096 14 0 "[ . 1 . 2]" 1
768 1 1 MET HA 1 1 MET QG 2.800 . 3.800 2.446 2.296 2.730 . 0 0 "[ . 1 . 2]" 1
769 1 9 LEU HA 2 86 GLU HB2 2.700 . 6.000 4.853 4.229 5.273 . 0 0 "[ . 1 . 2]" 1
770 1 41 LEU HA 1 44 GLN HB2 2.600 . 3.400 2.294 2.096 2.483 . 0 0 "[ . 1 . 2]" 1
771 1 1 MET QG 2 39 LYS HD3 2.900 . 3.900 3.380 3.034 3.745 . 0 0 "[ . 1 . 2]" 1
772 1 21 PHE HA 1 37 GLU HG2 3.100 . 6.000 4.713 4.505 4.878 . 0 0 "[ . 1 . 2]" 1
773 1 97 LYS QG 2 73 PHE QB 2.700 . 6.000 3.037 2.660 3.456 . 0 0 "[ . 1 . 2]" 1
774 1 19 THR HG1 1 20 PHE QE 2.900 . 6.000 3.721 3.625 3.950 . 0 0 "[ . 1 . 2]" 1
775 1 73 PHE QE 2 95 ILE MG 3.100 . 4.300 3.959 3.369 5.505 1.205 15 1 "[ . 1 + 2]" 1
776 1 6 LEU HG 2 90 GLU QG 2.600 . 3.400 1.990 1.629 2.337 0.171 4 0 "[ . 1 . 2]" 1
777 1 73 PHE QD 1 76 TYR QB 3.100 . 6.000 5.203 4.964 5.317 . 0 0 "[ . 1 . 2]" 1
778 1 23 PHE QE 1 38 PHE HA 2.500 . 3.300 2.288 1.630 2.444 0.070 13 0 "[ . 1 . 2]" 1
779 1 16 VAL HA 1 21 PHE QE 3.300 . 4.700 4.488 4.334 4.662 . 0 0 "[ . 1 . 2]" 1
780 1 48 HIS QB 1 51 LYS QE 2.500 . 3.300 1.952 1.627 2.990 0.073 19 0 "[ . 1 . 2]" 1
781 1 6 LEU QB 1 10 GLU HA 3.300 . 4.700 3.133 2.885 3.358 . 0 0 "[ . 1 . 2]" 1
782 1 21 PHE HA 1 35 ILE MG 3.500 . 5.000 3.199 1.734 4.528 0.266 12 0 "[ . 1 . 2]" 1
783 1 59 LYS H 1 59 LYS QB 2.200 . 2.800 1.945 1.857 2.113 . 0 0 "[ . 1 . 2]" 1
784 1 48 HIS QB 1 49 LEU HB2 3.200 . 6.000 3.760 3.352 4.814 . 0 0 "[ . 1 . 2]" 1
785 1 3 ALA HA 2 52 ASP QB 3.400 . 4.900 3.351 2.456 4.174 . 0 0 "[ . 1 . 2]" 1
786 1 21 PHE HA 1 38 PHE HB2 3.700 . 5.400 4.265 3.844 4.608 . 0 0 "[ . 1 . 2]" 1
787 1 1 MET QG 2 43 THR HG1 2.100 . 2.700 1.905 1.712 2.098 . 0 0 "[ . 1 . 2]" 1
788 1 6 LEU HA 2 89 LYS HA 3.400 . 4.800 4.065 3.981 4.137 . 0 0 "[ . 1 . 2]" 1
789 1 27 GLU HB2 1 37 GLU HG2 3.200 . 4.500 3.885 3.539 4.372 . 0 0 "[ . 1 . 2]" 1
790 1 7 THR MG 2 46 LEU H 3.300 . 6.000 5.211 4.790 5.638 . 0 0 "[ . 1 . 2]" 1
791 1 16 VAL HB 1 83 LEU HA 3.000 . 6.000 3.931 3.661 4.630 . 0 0 "[ . 1 . 2]" 1
792 1 14 GLU HG2 1 15 THR HB 3.300 . 6.000 5.842 3.380 6.323 0.323 2 0 "[ . 1 . 2]" 1
793 1 4 GLU HA 2 59 LYS QD 3.100 . 4.300 2.404 1.698 3.363 0.302 17 0 "[ . 1 . 2]" 1
794 1 45 GLN HB2 1 53 VAL HB 2.200 . 2.800 2.095 1.866 2.201 . 0 0 "[ . 1 . 2]" 1
795 1 9 LEU H 2 19 THR HG1 2.800 . 3.800 3.705 3.514 3.779 . 0 0 "[ . 1 . 2]" 1
796 1 71 LEU HG 1 73 PHE HB2 2.900 . 3.900 2.604 2.080 3.159 . 0 0 "[ . 1 . 2]" 1
797 1 75 GLU HB2 1 77 TRP HD1 2.900 . 4.000 4.291 4.019 4.705 0.705 14 3 "[ - . 1 +. * 2]" 1
798 1 80 ILE HB 2 84 ALA HA 3.100 . 4.300 2.737 2.266 3.180 . 0 0 "[ . 1 . 2]" 1
799 1 84 ALA HA 1 88 ARG HB2 3.000 . 4.100 4.228 3.899 4.437 0.337 8 0 "[ . 1 . 2]" 1
800 1 17 VAL H 1 19 THR HG1 2.900 . 4.000 3.218 3.066 3.428 . 0 0 "[ . 1 . 2]" 1
801 1 9 LEU HG 2 21 PHE QD 2.600 . 6.000 4.625 4.316 4.837 . 0 0 "[ . 1 . 2]" 1
802 1 24 ALA HA 1 28 GLY HA2 5.900 . 6.000 5.735 4.124 6.677 0.677 2 1 "[ + . 1 . 2]" 1
803 1 77 TRP HB2 1 80 ILE HB 2.700 . 3.600 3.250 2.961 3.666 0.066 18 0 "[ . 1 . 2]" 1
804 1 82 GLU HB2 1 84 ALA HA 3.300 . 6.000 5.472 5.320 5.624 . 0 0 "[ . 1 . 2]" 1
805 1 36 ASN QB 1 37 GLU HA 2.400 . 3.100 2.347 2.332 2.365 . 0 0 "[ . 1 . 2]" 1
806 1 23 PHE QE 1 38 PHE HB2 2.100 . 2.600 1.665 1.551 1.833 0.049 5 0 "[ . 1 . 2]" 1
807 1 8 GLU HA 2 20 PHE QB 3.400 . 4.900 3.938 3.810 4.075 . 0 0 "[ . 1 . 2]" 1
808 1 7 THR MG 2 85 LYS HA 6.300 . 7.700 6.429 5.138 7.734 0.034 8 0 "[ . 1 . 2]" 1
809 1 52 ASP QB 1 59 LYS HA 3.200 . 6.000 3.351 2.042 4.989 . 0 0 "[ . 1 . 2]" 1
810 1 10 GLU HA 1 13 ILE HA 3.700 . 5.400 3.950 3.841 4.096 . 0 0 "[ . 1 . 2]" 1
811 1 5 THR MG 2 90 GLU QG 3.300 . 4.600 3.019 1.899 4.050 0.101 19 0 "[ . 1 . 2]" 1
812 1 71 LEU QB 1 72 ARG HD2 3.500 . 5.100 3.749 3.234 3.999 . 0 0 "[ . 1 . 2]" 1
813 1 23 PHE QE 1 66 ASN QB 2.900 . 3.900 3.219 2.930 3.563 . 0 0 "[ . 1 . 2]" 1
814 1 5 THR MG 2 50 LEU HB2 3.300 . 6.000 4.366 3.906 5.077 . 0 0 "[ . 1 . 2]" 1
815 1 48 HIS QB 1 53 VAL HB 2.800 . 3.800 2.900 2.320 4.687 0.887 20 1 "[ . 1 . +]" 1
816 1 61 LYS HB2 1 64 ASP HB3 3.300 . 6.000 4.524 3.915 5.044 . 0 0 "[ . 1 . 2]" 1
817 1 80 ILE MG 2 88 ARG HB2 3.200 . 6.000 5.062 4.269 5.951 . 0 0 "[ . 1 . 2]" 1
818 1 71 LEU HG 1 77 TRP HH2 3.400 . 6.000 4.075 3.847 4.228 . 0 0 "[ . 1 . 2]" 1
819 1 40 GLU HB3 2 1 MET QG 3.700 . 5.400 4.828 4.310 5.394 . 0 0 "[ . 1 . 2]" 1
820 1 47 PRO QB 1 48 HIS QB 3.300 . 6.000 4.142 3.996 4.261 . 0 0 "[ . 1 . 2]" 1
821 1 14 GLU HB2 1 14 GLU HG2 3.800 . 5.600 2.504 2.160 2.682 . 0 0 "[ . 1 . 2]" 1
822 1 13 ILE HG12 1 17 VAL HA 3.700 . 5.400 4.808 4.484 5.127 . 0 0 "[ . 1 . 2]" 1
823 1 27 GLU HB2 1 27 GLU HG2 3.000 . 4.100 2.356 2.149 2.682 . 0 0 "[ . 1 . 2]" 1
824 1 7 THR HB 1 9 LEU HG 3.200 . 4.500 1.990 1.781 2.524 0.119 19 0 "[ . 1 . 2]" 1
825 1 60 MET HA 1 60 MET HG2 3.200 . 4.500 2.396 2.164 2.687 . 0 0 "[ . 1 . 2]" 1
826 1 9 LEU HG 2 87 VAL H 3.400 . 4.800 3.545 3.429 3.619 . 0 0 "[ . 1 . 2]" 1
827 1 41 LEU QB 1 43 THR HG1 3.900 . 5.800 3.955 3.857 4.026 . 0 0 "[ . 1 . 2]" 1
828 1 59 LYS QG 2 1 MET QG 3.600 . 5.200 2.962 1.958 3.887 0.042 16 0 "[ . 1 . 2]" 1
829 1 10 GLU HB3 2 84 ALA HA 3.200 . 6.000 5.980 5.782 6.244 0.244 12 0 "[ . 1 . 2]" 1
830 1 72 ARG HB2 1 72 ARG HD2 3.300 . 3.800 3.222 3.082 3.280 . 0 0 "[ . 1 . 2]" 1
831 1 1 MET HB2 2 55 SER QB 3.000 . 6.000 4.981 4.787 5.073 . 0 0 "[ . 1 . 2]" 1
832 1 52 ASP H 1 54 GLY H 4.100 . 6.000 3.910 3.678 4.177 . 0 0 "[ . 1 . 2]" 1
833 1 17 VAL H 1 17 VAL HB 2.700 . 3.300 2.280 2.211 2.352 . 0 0 "[ . 1 . 2]" 1
834 1 1 MET HA 2 59 LYS QG 3.500 . 5.000 2.761 2.008 3.141 . 0 0 "[ . 1 . 2]" 1
835 1 21 PHE HA 1 23 PHE QB 4.000 . 6.000 3.505 3.025 3.910 . 0 0 "[ . 1 . 2]" 1
836 1 36 ASN HA 1 36 ASN QB 3.000 . 3.900 2.124 2.080 2.179 . 0 0 "[ . 1 . 2]" 1
837 1 20 PHE H 1 21 PHE QD 3.100 . 4.300 3.399 1.904 3.729 . 0 0 "[ . 1 . 2]" 1
838 1 10 GLU HA 1 13 ILE HA 3.200 . 4.500 4.602 4.484 4.707 0.207 8 0 "[ . 1 . 2]" 1
839 1 5 THR MG 1 6 LEU QB 3.000 . 4.100 2.159 1.673 2.435 0.227 19 0 "[ . 1 . 2]" 1
840 1 31 GLY QA 1 72 ARG HG2 3.000 . 4.100 3.195 3.086 3.299 . 0 0 "[ . 1 . 2]" 1
841 1 71 LEU HG 1 72 ARG HD2 3.400 . 4.800 4.714 4.449 5.134 0.334 4 0 "[ . 1 . 2]" 1
842 1 42 ALA HA 1 45 GLN HG2 2.600 . 3.400 2.852 1.624 3.704 0.304 7 0 "[ . 1 . 2]" 1
843 1 47 PRO QB 1 47 PRO QD 2.900 . 4.000 2.558 2.486 2.685 . 0 0 "[ . 1 . 2]" 1
844 1 21 PHE QE 1 80 ILE MG 6.500 5.000 7.800 6.509 6.358 6.698 . 0 0 "[ . 1 . 2]" 1
845 1 43 THR HA 1 46 LEU HA 2.700 . 3.600 3.371 2.590 3.752 0.152 14 0 "[ . 1 . 2]" 1
846 1 41 LEU HG 1 45 GLN QE 3.600 . 5.200 4.579 4.123 4.903 . 0 0 "[ . 1 . 2]" 1
847 1 39 LYS HD2 1 43 THR HG1 3.800 . 5.700 5.322 5.101 5.824 0.124 20 0 "[ . 1 . 2]" 1
848 1 9 LEU HA 2 76 TYR QD 3.500 . 6.000 5.429 5.197 5.593 . 0 0 "[ . 1 . 2]" 1
849 1 95 ILE HB 1 98 LYS QG 3.200 . 4.500 2.870 2.089 4.094 . 0 0 "[ . 1 . 2]" 1
850 1 13 ILE HG12 1 16 VAL HB 3.700 . 5.400 4.643 4.454 5.009 . 0 0 "[ . 1 . 2]" 1
851 1 2 ALA HA 2 41 LEU HG 3.000 . 4.100 3.560 2.911 4.073 . 0 0 "[ . 1 . 2]" 1
852 1 21 PHE QD 1 22 THR HG1 4.300 . 6.000 5.252 5.009 5.390 . 0 0 "[ . 1 . 2]" 1
853 1 4 GLU HG2 2 52 ASP QB 3.900 . 5.800 4.183 2.125 5.850 0.050 4 0 "[ . 1 . 2]" 1
854 1 29 ARG HG2 1 73 PHE QE 2.800 . 3.800 2.171 1.907 2.311 . 0 0 "[ . 1 . 2]" 1
855 1 23 PHE QD 1 36 ASN QB 3.800 . 3.800 3.652 3.001 5.010 1.210 14 4 "[ * . 1 -+. * 2]" 1
856 1 5 THR H 1 5 THR MG 3.500 . 5.100 2.136 1.716 2.867 0.184 14 0 "[ . 1 . 2]" 1
857 1 20 PHE H 1 20 PHE QD 3.700 . 5.000 3.254 2.747 3.461 . 0 0 "[ . 1 . 2]" 1
858 1 14 GLU HA 1 15 THR HB 3.900 . 5.800 3.614 3.551 3.759 . 0 0 "[ . 1 . 2]" 1
859 1 34 ASN QB 1 67 GLN HB2 3.600 . 5.300 3.845 2.558 4.708 . 0 0 "[ . 1 . 2]" 1
860 1 47 PRO HA 1 47 PRO QD 2.900 . 3.900 3.032 2.911 3.223 . 0 0 "[ . 1 . 2]" 1
861 1 14 GLU H 1 14 GLU HB2 2.900 . 3.900 2.254 2.138 3.116 . 0 0 "[ . 1 . 2]" 1
862 1 7 THR HB 2 20 PHE QB 3.300 . 4.700 3.470 2.941 3.953 . 0 0 "[ . 1 . 2]" 1
863 1 1 MET QG 2 43 THR HA 3.900 . 5.800 3.315 3.178 3.448 . 0 0 "[ . 1 . 2]" 1
864 1 1 MET QG 2 60 MET HA 3.900 . 5.800 4.730 4.527 4.939 . 0 0 "[ . 1 . 2]" 1
865 1 21 PHE H 1 24 ALA H 3.700 . 5.400 4.652 4.442 4.882 . 0 0 "[ . 1 . 2]" 1
866 1 19 THR HG1 1 21 PHE QB 3.800 . 5.600 3.005 2.296 3.393 . 0 0 "[ . 1 . 2]" 1
867 1 7 THR HB 1 8 GLU HB3 3.300 . 4.600 2.597 2.068 2.929 . 0 0 "[ . 1 . 2]" 1
868 1 43 THR HA 1 46 LEU HA 3.000 . 4.100 3.363 2.589 3.743 . 0 0 "[ . 1 . 2]" 1
869 1 33 LEU HG 1 71 LEU HA 3.900 . 5.800 4.953 2.892 5.371 . 0 0 "[ . 1 . 2]" 1
870 1 3 ALA HA 2 54 GLY QA 3.800 . 5.600 4.290 4.123 4.466 . 0 0 "[ . 1 . 2]" 1
871 1 23 PHE QB 1 37 GLU HG2 3.500 . 4.100 3.473 3.025 3.865 . 0 0 "[ . 1 . 2]" 1
872 1 17 VAL HA 1 21 PHE QD 2.800 . 3.100 1.738 1.653 1.889 0.147 4 0 "[ . 1 . 2]" 1
873 1 4 GLU HG2 1 5 THR MG 3.700 . 5.400 3.604 3.233 4.128 . 0 0 "[ . 1 . 2]" 1
874 1 4 GLU HG2 2 51 LYS QG 4.000 . 6.000 4.073 2.571 5.347 . 0 0 "[ . 1 . 2]" 1
875 1 30 LYS HB2 1 73 PHE HB2 4.100 . 6.000 5.035 4.244 5.555 . 0 0 "[ . 1 . 2]" 1
876 1 8 GLU HA 1 11 ALA H 3.100 . 3.100 2.457 2.436 2.493 . 0 0 "[ . 1 . 2]" 1
877 1 36 ASN QB 1 67 GLN QG 2.700 . 6.000 5.082 4.206 5.822 . 0 0 "[ . 1 . 2]" 1
878 1 14 GLU H 1 14 GLU HA 3.000 . 3.400 2.505 2.476 2.525 . 0 0 "[ . 1 . 2]" 1
879 1 23 PHE HA 1 24 ALA HA 5.300 . 6.000 4.187 4.043 4.265 . 0 0 "[ . 1 . 2]" 1
880 1 10 GLU HA 2 86 GLU HA 4.100 . 6.000 3.339 3.126 3.483 . 0 0 "[ . 1 . 2]" 1
881 1 13 ILE HA 1 13 ILE HB 3.300 . 4.600 2.440 2.340 2.684 . 0 0 "[ . 1 . 2]" 1
882 1 44 GLN H 1 44 GLN HB2 2.900 . 4.000 2.248 2.030 2.503 . 0 0 "[ . 1 . 2]" 1
883 1 24 ALA H 1 70 GLU HB2 3.400 . 4.900 4.227 2.539 4.827 . 0 0 "[ . 1 . 2]" 1
884 1 19 THR HG1 1 20 PHE QD 3.900 . 5.800 4.642 4.161 5.094 . 0 0 "[ . 1 . 2]" 1
885 1 51 LYS HA 1 51 LYS QE 3.000 . 4.200 3.157 2.777 3.402 . 0 0 "[ . 1 . 2]" 1
886 1 54 GLY HA2 1 59 LYS QD 3.200 . 4.500 3.647 3.310 4.793 0.293 4 0 "[ . 1 . 2]" 1
887 1 34 ASN HA 1 34 ASN QB 2.900 . 3.900 2.221 2.039 2.382 . 0 0 "[ . 1 . 2]" 1
888 1 70 GLU HA 1 79 LEU HG 3.900 . 5.800 3.320 1.825 4.723 0.175 2 0 "[ . 1 . 2]" 1
889 1 2 ALA HA 2 38 PHE HB2 4.200 . 6.000 5.062 4.342 5.564 . 0 0 "[ . 1 . 2]" 1
890 1 1 MET HB2 2 43 THR HG1 3.600 . 5.200 3.203 2.976 3.588 . 0 0 "[ . 1 . 2]" 1
891 1 7 THR HA 1 7 THR MG 3.300 . 4.700 1.868 1.755 2.064 0.145 15 0 "[ . 1 . 2]" 1
892 1 1 MET HB2 2 39 LYS H 2.800 . 3.800 2.394 2.230 2.503 . 0 0 "[ . 1 . 2]" 1
893 1 9 LEU HA 2 13 ILE HA 3.300 . 4.700 3.867 3.823 3.914 . 0 0 "[ . 1 . 2]" 1
894 1 21 PHE QE 1 71 LEU QB 3.700 . 5.400 2.874 2.223 3.309 . 0 0 "[ . 1 . 2]" 1
895 1 28 GLY QA 1 29 ARG HA 2.700 . 3.600 3.252 3.213 3.363 . 0 0 "[ . 1 . 2]" 1
896 1 7 THR MG 2 39 LYS QG 2.300 . 6.000 5.617 5.327 5.837 . 0 0 "[ . 1 . 2]" 1
897 1 72 ARG HG2 2 95 ILE MG 2.400 . 6.000 4.357 3.876 4.772 . 0 0 "[ . 1 . 2]" 1
898 1 5 THR MG 2 89 LYS QG 2.300 . 3.000 1.951 1.587 2.992 0.013 8 0 "[ . 1 . 2]" 1
899 1 6 LEU QB 1 6 LEU HG 1.800 . 2.200 1.782 1.720 2.029 . 0 0 "[ . 1 . 2]" 1
900 1 96 ARG HA 1 97 LYS QG 2.300 . 6.000 2.993 2.481 3.089 . 0 0 "[ . 1 . 2]" 1
901 1 53 VAL HA 2 7 THR MG 2.300 . 6.000 6.110 5.985 6.206 0.206 1 0 "[ . 1 . 2]" 1
902 1 17 VAL HA 1 22 THR HG1 2.100 . 6.000 5.240 4.818 5.414 . 0 0 "[ . 1 . 2]" 1
903 1 5 THR HA 1 5 THR MG 2.000 . 2.500 2.053 1.819 2.778 0.278 14 0 "[ . 1 . 2]" 1
904 1 16 VAL HA 1 19 THR HG1 1.800 . 2.200 2.008 1.744 2.133 . 0 0 "[ . 1 . 2]" 1
905 1 10 GLU HA 2 84 ALA HA 2.700 . 6.000 5.564 5.390 5.692 . 0 0 "[ . 1 . 2]" 1
906 1 9 LEU HG 2 19 THR HG1 2.500 . 6.000 3.403 2.641 3.738 . 0 0 "[ . 1 . 2]" 1
907 1 14 GLU HA 1 17 VAL HB 2.100 . 2.700 2.275 2.106 2.344 . 0 0 "[ . 1 . 2]" 1
908 1 62 THR HA 1 62 THR HG1 2.000 . 2.500 2.434 2.297 2.662 0.162 18 0 "[ . 1 . 2]" 1
909 1 39 LYS QG 1 41 LEU HG 2.200 . 6.000 5.071 4.946 5.166 . 0 0 "[ . 1 . 2]" 1
910 1 21 PHE HA 1 22 THR HG1 2.400 . 3.100 3.025 2.994 3.045 . 0 0 "[ . 1 . 2]" 1
911 1 69 SER HB2 1 82 GLU HG3 2.300 . 6.000 2.752 1.918 4.187 . 0 0 "[ . 1 . 2]" 1
912 1 39 LYS HA 1 39 LYS QG 1.900 . 2.300 1.929 1.812 1.989 . 0 0 "[ . 1 . 2]" 1
913 1 20 PHE QE 1 23 PHE QE 2.200 . 2.800 1.962 1.648 2.567 . 0 0 "[ . 1 . 2]" 1
914 1 17 VAL HA 1 22 THR HG1 2.600 . 6.000 3.933 2.599 4.541 . 0 0 "[ . 1 . 2]" 1
915 1 6 LEU HG 2 86 GLU HA 2.400 . 6.000 2.709 1.792 3.728 . 0 0 "[ . 1 . 2]" 1
916 1 19 THR HG1 1 21 PHE QB 2.900 . 6.000 3.080 2.303 3.501 . 0 0 "[ . 1 . 2]" 1
917 1 95 ILE MG 1 96 ARG HA 2.600 . 6.000 4.536 3.577 4.903 . 0 0 "[ . 1 . 2]" 1
918 1 1 MET QG 2 44 GLN HB2 3.100 . 6.000 3.858 3.300 4.369 . 0 0 "[ . 1 . 2]" 1
919 1 37 GLU HA 1 37 GLU HG2 1.900 . 2.400 2.212 2.050 2.324 . 0 0 "[ . 1 . 2]" 1
920 1 1 MET HB2 2 41 LEU HG 3.000 . 4.100 3.299 3.114 3.439 . 0 0 "[ . 1 . 2]" 1
921 1 77 TRP HD1 1 77 TRP HE3 2.500 . 3.300 3.179 3.009 3.361 0.061 9 0 "[ . 1 . 2]" 1
922 1 15 THR HA 1 16 VAL HA 2.600 . 3.400 2.314 2.276 2.358 . 0 0 "[ . 1 . 2]" 1
923 1 26 ARG HD2 1 43 THR HG1 2.400 . 6.000 5.317 4.833 5.877 . 0 0 "[ . 1 . 2]" 1
924 1 2 ALA H 2 43 THR HG1 2.300 . 6.000 2.745 2.613 2.840 . 0 0 "[ . 1 . 2]" 1
925 1 29 ARG HB2 2 97 LYS QG 3.400 . 6.000 5.234 4.562 5.539 . 0 0 "[ . 1 . 2]" 1
926 1 23 PHE QE 1 38 PHE HA 2.400 . 2.800 2.481 1.643 2.770 0.057 13 0 "[ . 1 . 2]" 1
927 1 74 SER HA 2 94 GLY QA 2.400 . 3.100 2.656 2.145 2.906 . 0 0 "[ . 1 . 2]" 1
928 1 8 GLU HB3 2 22 THR HG1 2.200 . 6.000 5.061 4.718 5.383 . 0 0 "[ . 1 . 2]" 1
929 1 3 ALA HA 2 85 LYS HG2 2.700 . 6.000 2.957 2.601 3.314 . 0 0 "[ . 1 . 2]" 1
930 1 59 LYS QB 1 59 LYS QG 2.000 . 2.500 1.936 1.834 1.963 . 0 0 "[ . 1 . 2]" 1
931 1 23 PHE QB 1 40 GLU QG 3.200 . 6.000 4.003 3.274 4.892 . 0 0 "[ . 1 . 2]" 1
932 1 92 ALA HA 1 95 ILE H 2.500 . 3.300 2.245 2.185 2.343 . 0 0 "[ . 1 . 2]" 1
933 1 3 ALA HA 2 38 PHE HA 3.500 . 5.100 3.733 3.432 3.850 . 0 0 "[ . 1 . 2]" 1
934 1 51 LYS HA 1 53 VAL H 2.300 . 3.000 2.252 2.090 2.363 . 0 0 "[ . 1 . 2]" 1
935 1 7 THR MG 2 46 LEU H 2.900 . 6.000 5.311 4.926 5.621 . 0 0 "[ . 1 . 2]" 1
936 1 70 GLU H 1 78 ARG H 3.000 . 6.000 5.505 5.371 5.653 . 0 0 "[ . 1 . 2]" 1
937 1 4 GLU QB 2 59 LYS QG 2.600 . 3.400 4.204 3.219 5.055 1.655 3 16 "[-*+** ***** ** ****]" 1
938 1 95 ILE HB 1 98 LYS QG 2.200 . 2.800 2.898 2.094 4.201 1.401 8 5 "[ * . + 1 *- *]" 1
939 1 71 LEU HG 1 76 TYR QD 2.600 . 3.400 3.206 2.977 3.442 0.042 2 0 "[ . 1 . 2]" 1
940 1 75 GLU HB2 1 77 TRP HD1 2.900 . 3.900 4.126 3.917 4.402 0.502 18 1 "[ . 1 . + 2]" 1
941 1 10 GLU HG2 2 86 GLU HA 3.300 . 4.600 3.161 2.301 3.727 . 0 0 "[ . 1 . 2]" 1
942 1 5 THR MG 1 7 THR HA 2.800 . 6.000 4.801 3.903 5.168 . 0 0 "[ . 1 . 2]" 1
943 1 57 ASP HB2 1 59 LYS HA 3.100 . 6.000 4.456 4.047 5.145 . 0 0 "[ . 1 . 2]" 1
944 1 5 THR H 1 5 THR MG 2.800 . 3.800 3.208 2.148 3.347 . 0 0 "[ . 1 . 2]" 1
945 1 21 PHE HA 1 37 GLU HB3 2.500 . 3.300 2.482 1.913 2.626 . 0 0 "[ . 1 . 2]" 1
946 1 40 GLU HB3 1 41 LEU HA 2.900 . 3.900 3.308 2.597 4.037 0.137 4 0 "[ . 1 . 2]" 1
947 1 9 LEU QB 2 19 THR HG1 3.100 . 6.000 4.405 3.959 4.689 . 0 0 "[ . 1 . 2]" 1
948 1 45 GLN HG2 1 53 VAL H 2.900 . 4.000 3.971 3.618 4.385 0.385 18 0 "[ . 1 . 2]" 1
949 1 20 PHE QE 1 22 THR HG1 2.700 . 6.000 4.110 3.609 5.628 . 0 0 "[ . 1 . 2]" 1
950 1 80 ILE MG 1 82 GLU HG3 2.200 . 6.000 4.452 4.231 4.659 . 0 0 "[ . 1 . 2]" 1
951 1 73 PHE QD 1 76 TYR QB 3.200 . 6.000 5.282 4.807 5.483 . 0 0 "[ . 1 . 2]" 1
952 1 10 GLU HA 2 90 GLU HA 3.800 . 6.000 5.921 5.485 6.444 0.444 15 0 "[ . 1 . 2]" 1
953 1 5 THR MG 2 85 LYS HA 3.500 . 6.000 5.850 3.762 6.198 0.198 17 0 "[ . 1 . 2]" 1
954 1 21 PHE H 1 21 PHE HA 2.300 . 3.000 2.478 2.433 2.529 . 0 0 "[ . 1 . 2]" 1
955 1 6 LEU HA 1 6 LEU HG 2.700 . 3.600 2.353 2.046 3.242 . 0 0 "[ . 1 . 2]" 1
956 1 5 THR MG 2 51 LYS H 3.200 . 4.500 3.252 2.137 4.068 . 0 0 "[ . 1 . 2]" 1
957 1 50 LEU HG 1 52 ASP QB 5.100 . 6.700 5.211 4.365 5.761 . 0 0 "[ . 1 . 2]" 1
958 1 29 ARG HB2 2 97 LYS QD 3.400 . 4.900 4.137 3.597 4.416 . 0 0 "[ . 1 . 2]" 1
959 1 16 VAL HA 1 20 PHE QE 2.900 . 4.000 4.157 3.431 4.393 0.393 18 0 "[ . 1 . 2]" 1
960 1 7 THR HB 1 9 LEU HG 2.800 . 3.700 1.988 1.780 2.518 0.120 19 0 "[ . 1 . 2]" 1
961 1 71 LEU HG 1 76 TYR QB 2.800 . 3.800 2.999 2.711 3.429 . 0 0 "[ . 1 . 2]" 1
962 1 1 MET HA 2 43 THR HB 3.500 . 5.000 4.099 4.008 4.185 . 0 0 "[ . 1 . 2]" 1
963 1 75 GLU HA 1 77 TRP HE3 2.700 . 3.600 3.519 3.207 3.757 0.157 20 0 "[ . 1 . 2]" 1
964 1 10 GLU HB3 2 86 GLU HB2 3.300 . 4.600 1.758 1.584 2.014 0.416 12 0 "[ . 1 . 2]" 1
965 1 5 THR MG 1 11 ALA H 3.400 . 6.000 5.283 4.928 5.536 . 0 0 "[ . 1 . 2]" 1
966 1 7 THR HA 1 9 LEU HG 3.200 . 4.500 3.911 3.391 4.541 0.041 20 0 "[ . 1 . 2]" 1
967 1 42 ALA H 1 43 THR HG1 3.000 . 3.600 2.654 2.471 2.843 . 0 0 "[ . 1 . 2]" 1
968 1 88 ARG H 1 88 ARG HB2 2.300 . 2.900 2.113 1.851 2.313 . 0 0 "[ . 1 . 2]" 1
969 1 19 THR HG1 1 20 PHE HA 2.800 . 3.800 3.447 3.377 3.514 . 0 0 "[ . 1 . 2]" 1
970 1 21 PHE QD 1 22 THR HG1 3.200 . 6.000 5.706 5.339 5.927 . 0 0 "[ . 1 . 2]" 1
971 1 1 MET HB2 2 43 THR HG1 3.400 . 4.800 3.250 3.000 3.675 . 0 0 "[ . 1 . 2]" 1
972 1 16 VAL HA 1 86 GLU QG 3.400 . 4.900 4.343 4.101 4.613 . 0 0 "[ . 1 . 2]" 1
973 1 38 PHE QD 1 43 THR HG1 3.100 . 6.000 5.145 4.903 5.299 . 0 0 "[ . 1 . 2]" 1
974 1 73 PHE QE 2 97 LYS QG 2.600 . 3.500 5.813 5.198 6.187 2.687 19 20 [*****-************+*] 1
975 1 6 LEU HG 2 90 GLU QG 2.800 . 3.800 1.996 1.629 2.349 0.171 4 0 "[ . 1 . 2]" 1
976 1 78 ARG H 1 79 LEU HG 2.900 . 4.000 3.395 3.019 4.754 0.754 17 1 "[ . 1 . + 2]" 1
977 1 43 THR HA 1 46 LEU HG 2.200 . 2.800 2.791 2.549 2.902 0.102 14 0 "[ . 1 . 2]" 1
978 1 80 ILE HA 1 80 ILE MG 3.000 . 3.600 2.826 2.804 2.845 . 0 0 "[ . 1 . 2]" 1
979 1 6 LEU HG 2 90 GLU HB2 3.100 . 4.300 3.506 3.314 3.808 . 0 0 "[ . 1 . 2]" 1
980 1 42 ALA HA 1 55 SER HB2 3.200 . 4.500 4.573 4.455 4.692 0.192 16 0 "[ . 1 . 2]" 1
981 1 21 PHE QE 1 83 LEU HG 3.100 . 4.300 1.968 1.807 2.121 0.093 14 0 "[ . 1 . 2]" 1
982 1 84 ALA HA 1 86 GLU H 2.600 . 3.400 2.816 2.726 2.996 . 0 0 "[ . 1 . 2]" 1
983 1 85 LYS HB2 1 89 LYS QG 3.300 . 4.700 4.445 4.042 4.882 0.182 2 0 "[ . 1 . 2]" 1
984 1 58 GLU HG3 1 62 THR HG1 3.500 . 5.100 3.151 1.904 4.366 . 0 0 "[ . 1 . 2]" 1
985 1 77 TRP HH2 2 95 ILE MG 2.300 . 6.000 5.284 4.882 6.011 0.011 15 0 "[ . 1 . 2]" 1
986 1 43 THR HB 1 46 LEU HG 2.700 . 3.600 2.050 1.965 2.166 . 0 0 "[ . 1 . 2]" 1
987 1 74 SER HA 1 76 TYR QD 3.000 . 4.100 2.986 2.699 3.072 . 0 0 "[ . 1 . 2]" 1
988 1 80 ILE HA 2 88 ARG H 3.200 . 4.500 4.235 4.010 4.457 . 0 0 "[ . 1 . 2]" 1
989 1 7 THR HA 1 8 GLU HA 3.600 . 5.200 3.454 3.430 3.484 . 0 0 "[ . 1 . 2]" 1
990 1 88 ARG HA 1 88 ARG QG 2.600 . 3.400 2.203 2.043 2.369 . 0 0 "[ . 1 . 2]" 1
991 1 41 LEU QB 1 43 THR HG1 3.800 . 5.600 3.921 3.827 3.993 . 0 0 "[ . 1 . 2]" 1
992 1 23 PHE QD 1 38 PHE HA 2.400 . 3.100 3.097 2.316 3.461 0.361 2 0 "[ . 1 . 2]" 1
993 1 9 LEU HG 1 10 GLU HB3 3.400 . 4.900 3.316 2.697 4.267 . 0 0 "[ . 1 . 2]" 1
994 1 2 ALA H 2 59 LYS HA 2.500 . 3.300 1.952 1.686 2.143 0.014 14 0 "[ . 1 . 2]" 1
995 1 60 MET HA 1 61 LYS HG2 3.300 . 4.700 4.512 4.224 5.016 0.316 4 0 "[ . 1 . 2]" 1
996 1 87 VAL HB 1 88 ARG HB2 3.500 . 5.000 4.169 3.909 4.573 . 0 0 "[ . 1 . 2]" 1
997 1 36 ASN QB 1 37 GLU HA 3.000 . 4.100 3.477 3.320 3.736 . 0 0 "[ . 1 . 2]" 1
998 1 9 LEU HG 1 12 ALA H 3.300 . 4.600 3.888 3.705 3.986 . 0 0 "[ . 1 . 2]" 1
999 1 12 ALA HA 1 14 GLU HG2 3.500 . 6.000 4.902 2.555 5.496 . 0 0 "[ . 1 . 2]" 1
1000 1 23 PHE QD 1 39 LYS QG 3.100 . 6.000 5.591 5.231 5.966 . 0 0 "[ . 1 . 2]" 1
1001 1 9 LEU HG 2 85 LYS HE2 3.200 . 4.500 3.524 3.003 4.324 . 0 0 "[ . 1 . 2]" 1
1002 1 22 THR HG1 1 24 ALA H 3.300 . 4.700 4.183 3.937 4.577 . 0 0 "[ . 1 . 2]" 1
1003 1 14 GLU HA 1 15 THR HB 3.400 . 4.900 3.611 3.547 3.753 . 0 0 "[ . 1 . 2]" 1
1004 1 36 ASN QB 1 38 PHE HB2 3.400 . 6.000 4.815 4.723 4.901 . 0 0 "[ . 1 . 2]" 1
1005 1 48 HIS QB 1 53 VAL H 3.300 . 4.600 4.443 4.178 4.777 0.177 10 0 "[ . 1 . 2]" 1
1006 1 17 VAL HA 1 20 PHE QD 3.500 . 5.100 3.624 3.100 4.246 . 0 0 "[ . 1 . 2]" 1
1007 1 7 THR HA 2 41 LEU HG 3.400 . 6.000 5.957 5.805 6.111 0.111 8 0 "[ . 1 . 2]" 1
1008 1 11 ALA HA 1 14 GLU H 2.900 . 3.900 2.840 2.803 2.878 . 0 0 "[ . 1 . 2]" 1
1009 1 4 GLU HG2 2 59 LYS QG 3.300 . 4.700 3.691 3.280 4.279 . 0 0 "[ . 1 . 2]" 1
1010 1 41 LEU HA 1 44 GLN HG2 3.600 . 5.200 2.677 2.200 3.396 . 0 0 "[ . 1 . 2]" 1
1011 1 45 GLN HG2 1 52 ASP H 3.100 . 4.300 2.608 1.812 3.227 0.088 9 0 "[ . 1 . 2]" 1
1012 1 21 PHE QD 1 83 LEU HG 2.800 . 3.800 4.004 3.820 4.101 0.301 15 0 "[ . 1 . 2]" 1
1013 1 80 ILE HB 2 84 ALA HA 3.400 . 4.800 2.481 2.044 2.898 . 0 0 "[ . 1 . 2]" 1
1014 1 37 GLU H 1 39 LYS H 3.700 . 5.400 3.533 3.385 3.634 . 0 0 "[ . 1 . 2]" 1
1015 1 45 GLN HG2 1 48 HIS QB 4.000 . 6.000 4.588 4.193 4.886 . 0 0 "[ . 1 . 2]" 1
1016 1 56 LEU HA 1 57 ASP HB2 4.000 . 6.000 4.783 4.596 4.955 . 0 0 "[ . 1 . 2]" 1
1017 1 53 VAL H 2 7 THR MG 3.000 . 4.100 1.827 1.702 1.934 0.198 10 0 "[ . 1 . 2]" 1
1018 1 34 ASN QB 1 38 PHE HB2 3.900 . 5.800 3.952 3.421 4.369 . 0 0 "[ . 1 . 2]" 1
1019 1 76 TYR QD 2 95 ILE MG 3.200 . 6.000 5.570 5.291 5.983 . 0 0 "[ . 1 . 2]" 1
1020 1 26 ARG QB 1 33 LEU HG 3.300 . 4.700 2.407 2.300 2.462 . 0 0 "[ . 1 . 2]" 1
1021 1 52 ASP HA 2 5 THR MG 4.000 . 6.000 4.715 3.447 5.941 . 0 0 "[ . 1 . 2]" 1
1022 1 74 SER HA 2 92 ALA H 2.900 . 4.000 3.679 3.539 3.807 . 0 0 "[ . 1 . 2]" 1
1023 1 2 ALA HA 2 43 THR H 3.800 . 5.600 4.564 4.399 4.807 . 0 0 "[ . 1 . 2]" 1
1024 1 84 ALA HA 1 88 ARG HA 4.100 . 6.000 4.226 4.006 4.450 . 0 0 "[ . 1 . 2]" 1
1025 1 14 GLU H 2 15 THR HG1 3.400 . 4.900 3.949 3.785 4.059 . 0 0 "[ . 1 . 2]" 1
1026 1 20 PHE H 1 22 THR HG1 3.900 . 5.800 4.622 3.083 5.014 . 0 0 "[ . 1 . 2]" 1
1027 1 36 ASN HA 1 38 PHE HB2 3.500 . 5.000 4.011 3.412 4.746 . 0 0 "[ . 1 . 2]" 1
1028 1 9 LEU HG 1 10 GLU HA 2.900 . 3.900 2.212 1.986 2.385 . 0 0 "[ . 1 . 2]" 1
1029 1 20 PHE QD 1 21 PHE H 3.700 . 5.400 3.377 3.098 3.731 . 0 0 "[ . 1 . 2]" 1
1030 1 47 PRO HA 1 48 HIS QB 4.200 . 6.000 3.634 3.539 3.753 . 0 0 "[ . 1 . 2]" 1
1031 1 84 ALA HA 1 86 GLU HA 3.400 . 4.800 3.979 3.919 4.081 . 0 0 "[ . 1 . 2]" 1
1032 1 64 ASP HB3 1 67 GLN QG 3.600 . 6.000 5.200 4.221 6.013 0.013 16 0 "[ . 1 . 2]" 1
1033 1 2 ALA H 2 41 LEU HG 3.100 . 6.000 5.620 5.340 5.959 . 0 0 "[ . 1 . 2]" 1
1034 1 87 VAL HA 1 89 LYS QE 4.600 . 6.000 5.094 4.273 5.912 . 0 0 "[ . 1 . 2]" 1
1035 1 76 TYR QD 1 77 TRP HA 3.000 . 4.100 3.573 3.342 3.865 . 0 0 "[ . 1 . 2]" 1
1036 1 29 ARG HB2 1 72 ARG HB2 4.500 . 6.000 3.469 2.352 4.208 . 0 0 "[ . 1 . 2]" 1
1037 1 5 THR H 2 54 GLY QA 3.100 . 4.300 2.320 2.273 2.346 . 0 0 "[ . 1 . 2]" 1
1038 1 76 TYR QB 1 78 ARG H 3.300 . 4.600 4.092 4.045 4.166 . 0 0 "[ . 1 . 2]" 1
1039 1 21 PHE QB 1 21 PHE QE 3.300 . 4.700 3.506 3.489 3.522 . 0 0 "[ . 1 . 2]" 1
1040 1 35 ILE H 1 63 LEU HG 4.400 . 6.000 4.790 4.096 5.836 . 0 0 "[ . 1 . 2]" 1
1041 1 72 ARG HB2 1 73 PHE QE 2.500 . 3.300 2.095 1.785 2.370 . 0 0 "[ . 1 . 2]" 1
1042 1 29 ARG HG2 1 72 ARG HG2 4.500 . 6.000 3.918 2.759 4.276 . 0 0 "[ . 1 . 2]" 1
1043 1 69 SER HA 1 78 ARG H 3.900 . 5.800 4.368 3.756 5.336 . 0 0 "[ . 1 . 2]" 1
1044 1 5 THR MG 1 7 THR H 3.900 . 5.800 5.125 4.404 5.544 . 0 0 "[ . 1 . 2]" 1
1045 1 21 PHE QD 1 23 PHE H 3.800 . 5.600 4.248 3.910 4.464 . 0 0 "[ . 1 . 2]" 1
1046 1 43 THR H 1 44 GLN HB2 2.500 . 3.300 1.878 1.555 2.478 0.145 20 0 "[ . 1 . 2]" 1
1047 1 77 TRP H 1 80 ILE MG 3.600 . 6.000 5.010 4.647 5.090 . 0 0 "[ . 1 . 2]" 1
1048 1 48 HIS QB 1 50 LEU HA 3.300 . 6.000 4.457 4.203 4.686 . 0 0 "[ . 1 . 2]" 1
1049 1 25 GLY H 1 25 GLY QA 2.200 . 2.800 2.179 2.160 2.194 . 0 0 "[ . 1 . 2]" 1
1050 2 25 GLY H 2 26 ARG QB 2.500 . 6.000 4.736 4.458 5.038 . 0 0 "[ . 1 . 2]" 1
1051 2 23 PHE QE 2 25 GLY H 2.100 . 6.000 6.682 6.364 7.137 1.137 13 17 "[********** *+** *- *]" 1
1052 1 24 ALA H 1 25 GLY H 2.100 . 2.700 2.723 2.522 2.794 0.094 4 0 "[ . 1 . 2]" 1
1053 2 31 GLY H 2 73 PHE QB 2.700 . 6.000 4.835 4.330 5.855 . 0 0 "[ . 1 . 2]" 1
1054 1 31 GLY H 1 32 SER H 2.100 . 4.500 3.032 2.493 3.464 . 0 0 "[ . 1 . 2]" 1
1055 1 93 LEU HB2 1 94 GLY H 2.000 . 6.000 3.979 3.702 4.291 . 0 0 "[ . 1 . 2]" 1
1056 1 93 LEU H 1 94 GLY H 2.400 . 3.100 2.415 2.283 2.707 . 0 0 "[ . 1 . 2]" 1
1057 1 93 LEU HG 1 94 GLY H 2.100 . 5.500 4.607 4.232 4.984 . 0 0 "[ . 1 . 2]" 1
1058 2 33 LEU HB3 2 34 ASN H 2.000 . 6.000 3.937 3.305 4.193 . 0 0 "[ . 1 . 2]" 1
1059 2 32 SER H 2 32 SER HA 2.300 . 3.000 2.901 2.861 2.920 . 0 0 "[ . 1 . 2]" 1
1060 1 31 GLY QA 1 32 SER H 2.000 . 6.000 2.029 1.909 2.221 . 0 0 "[ . 1 . 2]" 1
1061 1 32 SER H 1 70 GLU HB2 2.300 . 6.000 3.277 2.970 3.900 . 0 0 "[ . 1 . 2]" 1
1062 1 43 THR H 1 43 THR HB 2.100 . 2.700 3.448 3.413 3.500 0.800 13 20 [******-*****+*******] 1
1063 1 43 THR H 1 44 GLN HB2 2.700 . 6.000 4.691 4.443 5.126 . 0 0 "[ . 1 . 2]" 1
1064 1 42 ALA H 1 43 THR H . . 4.500 2.948 2.878 3.004 . 0 0 "[ . 1 . 2]" 1
1065 1 42 ALA HA 1 43 THR H 2.200 . 5.000 3.476 3.440 3.508 . 0 0 "[ . 1 . 2]" 1
1066 1 43 THR H 1 47 PRO QD 2.800 . 6.000 5.877 5.520 6.237 0.237 8 0 "[ . 1 . 2]" 1
1067 1 39 LYS HB3 1 43 THR H 1.100 . 6.000 5.743 5.556 5.975 . 0 0 "[ . 1 . 2]" 1
1068 1 61 LYS HB2 1 62 THR H 1.900 . 6.000 2.736 1.942 3.849 . 0 0 "[ . 1 . 2]" 1
1069 2 62 THR H 2 62 THR HB 2.500 . 3.300 2.635 2.529 2.714 . 0 0 "[ . 1 . 2]" 1
1070 1 61 LYS HD2 1 62 THR H 2.400 . 6.000 3.911 3.399 4.178 . 0 0 "[ . 1 . 2]" 1
1071 2 62 THR H 2 62 THR HA 2.700 . 3.600 2.738 2.699 2.775 . 0 0 "[ . 1 . 2]" 1
1072 2 62 THR H 2 62 THR HG1 1.600 . 2.200 1.933 1.880 2.047 . 0 0 "[ . 1 . 2]" 1
1073 1 67 GLN QE 1 67 GLN QG 2.200 . 2.800 2.235 2.024 2.730 . 0 0 "[ . 1 . 2]" 1
1074 1 67 GLN QE 1 76 TYR H 6.500 . 7.500 7.700 7.368 8.441 0.941 20 5 "[ -* . 1 *.* +]" 1
1075 1 67 GLN HB2 1 67 GLN QE 2.300 . 6.000 3.820 3.191 4.230 . 0 0 "[ . 1 . 2]" 1
1076 2 54 GLY H 2 55 SER QB 2.400 . 6.000 5.786 5.311 6.079 0.079 4 0 "[ . 1 . 2]" 1
1077 2 51 LYS HB2 2 54 GLY H 2.300 . 6.000 6.115 5.494 6.670 0.670 17 1 "[ . 1 . + 2]" 1
1078 2 53 VAL HB 2 54 GLY H 2.400 . 4.500 4.481 4.381 4.567 0.067 6 0 "[ . 1 . 2]" 1
1079 2 54 GLY H 2 54 GLY QA 3.800 . 5.000 2.196 2.169 2.227 . 0 0 "[ . 1 . 2]" 1
1080 1 67 GLN QE 1 69 SER HB2 6.500 . 8.000 6.101 5.576 6.905 . 0 0 "[ . 1 . 2]" 1
1081 1 5 THR HA 1 7 THR H 2.900 . 6.000 3.446 2.983 3.708 . 0 0 "[ . 1 . 2]" 1
1082 1 7 THR H 1 9 LEU QB 1.500 . 6.000 4.313 3.952 4.955 . 0 0 "[ . 1 . 2]" 1
1083 1 7 THR H 1 7 THR MG 2.100 . 6.000 3.349 2.654 3.663 . 0 0 "[ . 1 . 2]" 1
1084 1 45 GLN H 1 46 LEU HB2 2.300 . 6.000 4.429 4.014 6.088 0.088 20 0 "[ . 1 . 2]" 1
1085 2 45 GLN H 2 45 GLN QB . . 2.200 2.327 2.167 2.822 0.622 12 1 "[ . 1 + . 2]" 1
1086 1 43 THR H 1 45 GLN H 2.700 . 3.600 3.672 3.488 3.860 0.260 12 0 "[ . 1 . 2]" 1
1087 1 44 GLN H 1 45 GLN H . . 2.200 2.114 2.032 2.212 0.012 17 0 "[ . 1 . 2]" 1
1088 1 41 LEU HA 1 45 GLN H 1.700 . 6.000 3.510 3.385 3.684 . 0 0 "[ . 1 . 2]" 1
1089 2 73 PHE QB 2 74 SER H 2.300 . 3.000 2.581 1.930 3.032 0.032 10 0 "[ . 1 . 2]" 1
1090 2 74 SER H 2 76 TYR HA 2.000 . 6.000 6.511 6.346 6.850 0.850 18 7 "[ *-. * 1 * *. + *]" 1
1091 2 73 PHE H 2 74 SER H 2.600 . 3.400 3.453 3.303 3.731 0.331 20 0 "[ . 1 . 2]" 1
1092 2 73 PHE QD 2 74 SER H 2.300 . 3.000 2.487 1.881 2.705 . 0 0 "[ . 1 . 2]" 1
1093 2 74 SER H 2 75 GLU H 2.300 . 2.900 2.024 1.870 2.411 . 0 0 "[ . 1 . 2]" 1
1094 2 71 LEU HG 2 74 SER H 2.700 . 6.000 3.736 3.311 4.598 . 0 0 "[ . 1 . 2]" 1
1095 1 1 MET HB2 2 45 GLN QE 2.400 . 6.000 4.912 4.271 5.276 . 0 0 "[ . 1 . 2]" 1
1096 1 67 GLN H 1 68 ASP H 2.200 . 2.400 2.609 2.363 2.779 0.379 20 0 "[ . 1 . 2]" 1
1097 2 55 SER H 2 55 SER QB 1.900 . 2.300 2.195 1.936 2.368 0.068 15 0 "[ . 1 . 2]" 1
1098 1 35 ILE HA 1 67 GLN H 0.800 . 6.000 5.939 5.310 6.250 0.250 2 0 "[ . 1 . 2]" 1
1099 2 64 ASP QB 2 66 ASN H 2.500 . 6.000 5.321 4.952 5.671 . 0 0 "[ . 1 . 2]" 1
1100 1 20 PHE HA 1 21 PHE H 1.700 . 6.000 3.094 3.039 3.153 . 0 0 "[ . 1 . 2]" 1
1101 1 34 ASN H 1 69 SER H 0.600 . 6.000 5.781 5.288 6.361 0.361 20 0 "[ . 1 . 2]" 1
1102 1 69 SER H 1 82 GLU HG3 1.800 . 6.000 4.596 4.243 5.289 . 0 0 "[ . 1 . 2]" 1
1103 1 69 SER H 1 70 GLU H 2.000 . 2.500 2.658 2.521 2.714 0.214 2 0 "[ . 1 . 2]" 1
1104 1 66 ASN HA 1 69 SER H 2.400 . 3.100 2.750 2.663 2.833 . 0 0 "[ . 1 . 2]" 1
1105 1 69 SER H 1 69 SER HA 2.400 . 3.100 2.737 2.689 2.805 . 0 0 "[ . 1 . 2]" 1
1106 2 21 PHE H 2 21 PHE HA 2.100 . 2.600 2.765 2.699 2.819 0.219 14 0 "[ . 1 . 2]" 1
1107 1 82 GLU HG3 1 85 LYS H 2.300 . 6.000 4.916 4.476 5.107 . 0 0 "[ . 1 . 2]" 1
1108 1 69 SER H 1 71 LEU HG 2.000 . 6.000 6.610 5.891 7.636 1.636 5 8 "[* -*+* 1* .* * 2]" 1
1109 2 84 ALA H 2 85 LYS H 2.100 . 2.600 2.500 2.306 2.629 0.029 15 0 "[ . 1 . 2]" 1
1110 1 21 PHE H 1 37 GLU HB3 2.500 . 6.000 5.018 4.780 5.167 . 0 0 "[ . 1 . 2]" 1
1111 2 85 LYS H 2 85 LYS QB 2.400 . 3.100 2.359 2.056 2.697 . 0 0 "[ . 1 . 2]" 1
1112 1 83 LEU HG 1 85 LYS H 2.300 . 6.000 5.609 5.415 5.873 . 0 0 "[ . 1 . 2]" 1
1113 1 70 GLU H 1 71 LEU H 2.600 . 6.000 3.904 3.751 3.990 . 0 0 "[ . 1 . 2]" 1
1114 1 68 ASP QB 1 70 GLU H 2.500 . 6.000 4.250 3.878 4.443 . 0 0 "[ . 1 . 2]" 1
1115 1 35 ILE H 1 35 ILE HA 2.100 . 2.600 2.862 2.836 2.886 0.286 2 0 "[ . 1 . 2]" 1
1116 2 34 ASN HA 2 35 ILE H 2.100 . 2.600 3.134 2.602 3.458 0.858 13 13 "[* ** ***1**+ - * **]" 1
1117 1 68 ASP H 1 70 GLU H 2.300 . 5.000 4.856 4.439 5.030 0.030 17 0 "[ . 1 . 2]" 1
1118 1 70 GLU H 1 78 ARG HG2 2.100 . 6.000 5.908 5.502 6.285 0.285 15 0 "[ . 1 . 2]" 1
1119 1 69 SER HA 1 70 GLU H . . 5.000 3.423 3.360 3.455 . 0 0 "[ . 1 . 2]" 1
1120 2 70 GLU H 2 71 LEU H . . 6.000 4.378 4.210 4.475 . 0 0 "[ . 1 . 2]" 1
1121 1 67 GLN HB2 1 68 ASP H 0.500 . 6.000 3.201 2.778 3.540 . 0 0 "[ . 1 . 2]" 1
1122 2 69 SER HA 2 70 GLU H 2.600 . 3.400 3.444 3.361 3.486 0.086 11 0 "[ . 1 . 2]" 1
1123 2 46 LEU H 2 48 HIS H 2.400 . 6.000 5.656 5.549 5.773 . 0 0 "[ . 1 . 2]" 1
1124 2 27 GLU H 2 27 GLU HB2 3.200 . 4.500 2.802 2.153 3.876 . 0 0 "[ . 1 . 2]" 1
1125 1 44 GLN H 1 46 LEU H 2.300 . 6.000 3.797 3.612 4.099 . 0 0 "[ . 1 . 2]" 1
1126 1 44 GLN H 1 44 GLN HA 2.000 . 2.500 2.845 2.825 2.859 0.359 12 0 "[ . 1 . 2]" 1
1127 1 78 ARG HB2 1 80 ILE H 2.900 . 6.000 4.292 4.155 4.478 . 0 0 "[ . 1 . 2]" 1
1128 2 48 HIS H 2 50 LEU H 2.300 . 6.000 6.071 5.878 6.198 0.198 17 0 "[ . 1 . 2]" 1
1129 2 76 TYR QD 2 80 ILE H 1.100 . 6.000 5.659 5.239 5.978 . 0 0 "[ . 1 . 2]" 1
1130 1 80 ILE H 1 80 ILE HA 2.500 . 3.300 2.685 2.640 2.793 . 0 0 "[ . 1 . 2]" 1
1131 2 80 ILE H 2 82 GLU QG 2.400 . 6.000 4.223 4.131 4.636 . 0 0 "[ . 1 . 2]" 1
1132 1 20 PHE H 1 20 PHE QE 0.600 . 6.000 5.353 4.976 5.530 . 0 0 "[ . 1 . 2]" 1
1133 1 22 THR HB 1 23 PHE H 0.300 . 2.200 2.084 1.959 2.292 0.092 18 0 "[ . 1 . 2]" 1
1134 1 22 THR HA 1 23 PHE H 0.900 . 6.000 3.027 2.876 3.089 . 0 0 "[ . 1 . 2]" 1
1135 1 38 PHE HB2 1 39 LYS H 2.100 . 6.000 3.836 3.737 3.933 . 0 0 "[ . 1 . 2]" 1
1136 1 19 THR HA 1 23 PHE H . . 5.000 5.904 5.322 6.198 1.198 17 17 "[*** * **** *-***+***]" 1
1137 2 51 LYS H 2 52 ASP H 2.000 . 4.500 4.570 4.495 4.603 0.103 13 0 "[ . 1 . 2]" 1
1138 2 42 ALA HA 2 52 ASP H 2.100 . 6.000 5.092 4.596 5.456 . 0 0 "[ . 1 . 2]" 1
1139 1 23 PHE QB 1 39 LYS H 1.500 . 6.000 5.557 5.270 5.668 . 0 0 "[ . 1 . 2]" 1
1140 1 39 LYS H 1 39 LYS QG 2.000 . 5.500 1.989 1.919 2.133 . 0 0 "[ . 1 . 2]" 1
1141 1 39 LYS H 1 39 LYS HA 2.000 . 2.500 2.656 2.642 2.686 0.186 7 0 "[ . 1 . 2]" 1
1142 1 93 LEU H 1 93 LEU HB2 2.200 . 2.800 2.559 2.383 2.781 . 0 0 "[ . 1 . 2]" 1
1143 1 92 ALA H 1 93 LEU H . . 2.400 2.470 2.414 2.629 0.229 2 0 "[ . 1 . 2]" 1
1144 1 86 GLU QB 2 10 GLU H 2.400 . 6.000 3.060 2.331 3.840 . 0 0 "[ . 1 . 2]" 1
1145 1 68 ASP H 1 71 LEU H 0.800 . 6.000 7.374 7.102 7.746 1.746 15 20 [**************+****-] 1
1146 1 10 GLU H 1 11 ALA H 2.300 . 2.900 2.720 2.635 2.867 . 0 0 "[ . 1 . 2]" 1
1147 1 9 LEU H 1 10 GLU H 2.200 . 2.800 2.750 2.596 2.834 0.034 14 0 "[ . 1 . 2]" 1
1148 1 24 ALA H 1 24 ALA HA 2.100 . 2.700 2.754 2.715 2.834 0.134 20 0 "[ . 1 . 2]" 1
1149 1 33 LEU H 1 33 LEU HB2 0.600 . 2.200 2.211 2.065 3.059 0.859 20 1 "[ . 1 . +]" 1
1150 2 50 LEU HG 2 52 ASP H 5.500 . 6.500 6.022 5.525 6.350 . 0 0 "[ . 1 . 2]" 1
1151 2 83 LEU HA 2 84 ALA H 2.400 . 5.000 3.438 3.410 3.450 . 0 0 "[ . 1 . 2]" 1
1152 2 10 GLU H 2 10 GLU HG2 2.300 . 3.000 2.571 2.450 2.979 . 0 0 "[ . 1 . 2]" 1
1153 2 10 GLU H 2 10 GLU HA 2.300 . 3.000 2.784 2.726 2.812 . 0 0 "[ . 1 . 2]" 1
1154 1 8 GLU HG2 1 10 GLU H 2.500 . 6.000 5.141 4.907 5.618 . 0 0 "[ . 1 . 2]" 1
1155 1 78 ARG H 1 78 ARG HG2 2.200 . 2.800 2.626 2.205 2.889 0.089 11 0 "[ . 1 . 2]" 1
1156 2 78 ARG H 2 78 ARG HA 2.000 . 2.500 2.794 2.752 2.847 0.347 18 0 "[ . 1 . 2]" 1
1157 1 67 GLN QE 1 78 ARG H 6.500 . 7.500 6.762 5.920 7.752 0.252 4 0 "[ . 1 . 2]" 1
1158 1 60 MET H 1 61 LYS H 2.100 . 2.600 2.420 2.309 2.564 . 0 0 "[ . 1 . 2]" 1
1159 2 19 THR HA 2 20 PHE H 2.300 . 5.000 3.504 3.482 3.522 . 0 0 "[ . 1 . 2]" 1
1160 1 60 MET H 1 60 MET HA 2.100 . 2.600 2.856 2.841 2.865 0.265 9 0 "[ . 1 . 2]" 1
1161 1 21 PHE QD 1 78 ARG H 2.700 . 6.000 6.386 6.321 6.482 0.482 18 0 "[ . 1 . 2]" 1
1162 2 19 THR HG1 2 20 PHE H 1.600 . 2.200 1.925 1.893 1.966 . 0 0 "[ . 1 . 2]" 1
1163 2 20 PHE H 2 21 PHE H 2.300 . 3.000 2.436 2.271 2.595 . 0 0 "[ . 1 . 2]" 1
1164 1 95 ILE H 1 95 ILE HA 3.200 . 4.500 2.481 2.440 2.516 . 0 0 "[ . 1 . 2]" 1
1165 2 95 ILE H 2 97 LYS QE 2.600 . 6.000 5.377 4.633 5.949 . 0 0 "[ . 1 . 2]" 1
1166 2 83 LEU H 2 86 GLU H 2.400 . 6.000 5.579 5.354 5.991 . 0 0 "[ . 1 . 2]" 1
1167 1 78 ARG H 1 80 ILE HA 2.100 . 6.000 6.198 6.052 6.342 0.342 11 0 "[ . 1 . 2]" 1
1168 2 19 THR HB 2 20 PHE H 2.400 . 3.100 2.513 2.179 2.764 . 0 0 "[ . 1 . 2]" 1
1169 2 15 THR H 2 15 THR HB 1.900 . 2.400 2.514 2.485 2.615 0.215 20 0 "[ . 1 . 2]" 1
1170 1 35 ILE HA 1 38 PHE H 2.200 . 2.800 2.901 2.821 3.049 0.249 2 0 "[ . 1 . 2]" 1
1171 1 37 GLU H 1 38 PHE H 2.200 . 2.800 2.492 2.435 2.632 . 0 0 "[ . 1 . 2]" 1
1172 1 20 PHE HB3 1 22 THR H 2.200 . 6.000 4.807 4.675 4.999 . 0 0 "[ . 1 . 2]" 1
1173 2 16 VAL HA 2 20 PHE H 2.700 . 3.600 3.717 3.373 3.877 0.277 16 0 "[ . 1 . 2]" 1
1174 1 94 GLY QA 1 95 ILE H 2.100 . 2.700 2.417 2.344 2.487 . 0 0 "[ . 1 . 2]" 1
1175 2 21 PHE HA 2 22 THR H 3.200 . 4.500 3.355 3.177 3.443 . 0 0 "[ . 1 . 2]" 1
1176 2 15 THR H 2 15 THR HA 2.000 . 2.500 2.813 2.793 2.840 0.340 17 0 "[ . 1 . 2]" 1
1177 2 15 THR H 2 16 VAL H 2.100 . 2.600 2.653 2.564 2.708 0.108 15 0 "[ . 1 . 2]" 1
1178 2 22 THR H 2 22 THR HB 2.800 . 3.800 3.607 3.583 3.642 . 0 0 "[ . 1 . 2]" 1
1179 1 58 GLU H 1 60 MET H 2.400 . 3.100 3.499 3.380 3.745 0.645 4 1 "[ +. 1 . 2]" 1
1180 1 57 ASP HB2 1 60 MET H 1.300 . 6.000 4.013 3.829 4.139 . 0 0 "[ . 1 . 2]" 1
1181 1 38 PHE H 1 38 PHE QD 2.500 . 3.300 3.671 3.571 3.705 0.405 20 0 "[ . 1 . 2]" 1
1182 1 60 MET H 1 60 MET HG2 3.100 . 4.300 3.081 2.407 3.913 . 0 0 "[ . 1 . 2]" 1
1183 2 15 THR H 2 15 THR HG1 2.100 . 6.000 3.558 3.455 3.648 . 0 0 "[ . 1 . 2]" 1
1184 1 22 THR H 1 22 THR HG1 2.300 . 3.000 2.981 2.416 3.149 0.149 9 0 "[ . 1 . 2]" 1
1185 1 34 ASN H 1 38 PHE H 2.600 . 6.000 5.404 5.175 5.904 . 0 0 "[ . 1 . 2]" 1
1186 1 20 PHE H 1 22 THR H 2.600 . 3.400 3.736 3.689 3.811 0.411 14 0 "[ . 1 . 2]" 1
1187 1 35 ILE HB 1 38 PHE H 2.400 . 6.000 4.192 3.960 4.309 . 0 0 "[ . 1 . 2]" 1
1188 1 21 PHE H 1 22 THR H 2.000 . 2.500 2.600 2.439 2.677 0.177 3 0 "[ . 1 . 2]" 1
1189 1 14 GLU HB2 1 15 THR H 2.100 . 6.000 2.765 2.536 3.799 . 0 0 "[ . 1 . 2]" 1
1190 1 59 LYS QB 1 60 MET H 2.400 . 3.100 2.859 2.708 3.023 . 0 0 "[ . 1 . 2]" 1
1191 2 64 ASP H 2 64 ASP QB 2.700 . 3.600 2.341 2.171 2.548 . 0 0 "[ . 1 . 2]" 1
1192 1 9 LEU H 1 9 LEU QB 2.000 . 2.500 2.618 2.520 2.789 0.289 20 0 "[ . 1 . 2]" 1
1193 2 57 ASP HA 2 58 GLU H 2.400 . 3.100 3.446 3.406 3.473 0.373 20 0 "[ . 1 . 2]" 1
1194 1 8 GLU HB3 1 9 LEU H 2.100 . 6.000 4.069 3.899 4.321 . 0 0 "[ . 1 . 2]" 1
1195 1 7 THR HB 1 9 LEU H 2.300 . 5.000 2.329 2.152 2.694 . 0 0 "[ . 1 . 2]" 1
1196 1 8 GLU H 1 9 LEU H 2.300 . 2.800 2.867 2.427 3.027 0.227 20 0 "[ . 1 . 2]" 1
1197 1 76 TYR QD 2 95 ILE H 2.900 . 6.000 4.042 3.917 4.181 . 0 0 "[ . 1 . 2]" 1
1198 1 7 THR HA 1 9 LEU H 2.400 . 6.000 4.140 4.030 4.440 . 0 0 "[ . 1 . 2]" 1
1199 2 57 ASP H 2 58 GLU H 2.200 . 2.800 2.651 2.327 2.805 0.005 20 0 "[ . 1 . 2]" 1
1200 1 93 LEU HB2 1 95 ILE H 0.900 . 6.000 4.768 4.584 4.981 . 0 0 "[ . 1 . 2]" 1
1201 1 8 GLU HA 1 9 LEU H 2.200 . 2.800 2.661 2.628 2.697 . 0 0 "[ . 1 . 2]" 1
1202 1 7 THR MG 1 8 GLU H 2.100 . 6.000 2.506 1.947 3.368 . 0 0 "[ . 1 . 2]" 1
1203 1 7 THR HA 1 8 GLU H 2.600 . 3.500 2.497 2.327 2.873 . 0 0 "[ . 1 . 2]" 1
1204 1 8 GLU H 2 44 GLN HG2 2.100 . 6.000 4.725 4.266 5.154 . 0 0 "[ . 1 . 2]" 1
1205 1 7 THR HB 1 8 GLU H 2.000 . 2.500 2.536 2.237 2.686 0.186 10 0 "[ . 1 . 2]" 1
1206 2 15 THR H 2 17 VAL H 2.700 . 6.000 3.862 3.664 4.091 . 0 0 "[ . 1 . 2]" 1
1207 1 5 THR HA 2 86 GLU H 2.000 . 6.000 5.932 5.279 6.091 0.091 9 0 "[ . 1 . 2]" 1
1208 1 83 LEU HG 1 86 GLU H 2.700 . 6.000 4.613 4.262 4.910 . 0 0 "[ . 1 . 2]" 1
1209 1 86 GLU H 1 86 GLU QB 2.400 . 3.100 2.668 2.465 2.860 . 0 0 "[ . 1 . 2]" 1
1210 2 84 ALA HA 2 86 GLU H 2.300 . 2.900 3.142 3.055 3.314 0.414 9 0 "[ . 1 . 2]" 1
1211 2 85 LYS QB 2 86 GLU H 2.100 . 5.000 2.801 2.116 3.507 . 0 0 "[ . 1 . 2]" 1
1212 1 62 THR HA 1 63 LEU H 2.200 . 2.800 2.392 2.339 2.422 . 0 0 "[ . 1 . 2]" 1
1213 2 79 LEU H 2 79 LEU HB2 2.200 . 2.800 2.927 2.350 3.142 0.342 13 0 "[ . 1 . 2]" 1
1214 1 78 ARG H 1 79 LEU H 2.400 . 3.100 2.365 2.121 2.586 . 0 0 "[ . 1 . 2]" 1
1215 1 78 ARG HG2 1 79 LEU H 5.500 . 6.600 4.482 4.308 4.734 . 0 0 "[ . 1 . 2]" 1
1216 1 37 GLU H 1 40 GLU H 1.300 . 6.000 4.541 4.480 4.594 . 0 0 "[ . 1 . 2]" 1
1217 1 11 ALA H 1 14 GLU HG2 1.500 . 6.000 5.469 4.831 6.092 0.092 3 0 "[ . 1 . 2]" 1
1218 1 42 ALA H 1 42 ALA HA 2.000 . 2.500 2.648 2.621 2.666 0.166 13 0 "[ . 1 . 2]" 1
1219 1 9 LEU HG 1 11 ALA H 1.800 . 6.000 4.569 4.117 5.304 . 0 0 "[ . 1 . 2]" 1
1220 1 35 ILE HA 1 36 ASN H 1.900 . 4.500 2.864 2.790 3.075 . 0 0 "[ . 1 . 2]" 1
1221 1 10 GLU H 1 11 ALA H 3.300 . 4.700 2.191 2.062 2.278 . 0 0 "[ . 1 . 2]" 1
1222 2 35 ILE H 2 36 ASN H 2.200 . 2.800 2.379 2.179 2.820 0.020 2 0 "[ . 1 . 2]" 1
1223 2 75 GLU H 2 77 TRP H 2.300 . 6.000 5.019 4.874 5.174 . 0 0 "[ . 1 . 2]" 1
1224 1 40 GLU H 1 40 GLU QG 2.800 . 3.800 2.496 1.896 2.779 . 0 0 "[ . 1 . 2]" 1
1225 1 36 ASN QB 1 37 GLU H 0.500 . 6.000 1.856 1.756 1.980 . 0 0 "[ . 1 . 2]" 1
1226 2 77 TRP H 2 77 TRP HZ3 2.800 . 6.000 4.876 4.793 4.934 . 0 0 "[ . 1 . 2]" 1
1227 2 37 GLU H 2 37 GLU HA 2.200 . 2.800 2.855 2.807 2.883 0.083 4 0 "[ . 1 . 2]" 1
1228 1 39 LYS H 1 40 GLU H 2.100 . 2.700 2.601 2.551 2.653 . 0 0 "[ . 1 . 2]" 1
1229 1 37 GLU H 1 37 GLU HB3 2.300 . 6.000 2.678 2.359 2.806 . 0 0 "[ . 1 . 2]" 1
1230 1 39 LYS HA 1 40 GLU H 2.200 . 2.800 3.281 3.265 3.301 0.501 4 3 "[ +. * - . 2]" 1
1231 1 77 TRP H 1 78 ARG H 2.100 . 2.600 2.681 2.636 2.708 0.108 14 0 "[ . 1 . 2]" 1
1232 2 27 GLU H 2 37 GLU H 1.100 . 6.000 6.360 6.180 6.698 0.698 17 3 "[* - 1 . + 2]" 1
1233 1 40 GLU H 1 41 LEU H 3.700 . 5.400 2.180 2.112 2.240 . 0 0 "[ . 1 . 2]" 1
1234 1 40 GLU H 1 45 GLN HG2 1.400 . 6.000 6.235 5.863 6.682 0.682 1 3 "[+ . 1 - .* 2]" 1
1235 1 20 PHE QE 1 37 GLU H 2.100 . 6.000 5.780 5.021 6.151 0.151 13 0 "[ . 1 . 2]" 1
1236 1 21 PHE H 1 21 PHE QE 0.900 . 6.000 3.782 3.586 3.995 . 0 0 "[ . 1 . 2]" 1
1237 1 35 ILE HA 1 37 GLU H 2.300 . 6.000 4.436 4.178 4.570 . 0 0 "[ . 1 . 2]" 1
1238 2 35 ILE H 2 37 GLU H 2.700 . 6.000 5.074 4.803 5.612 . 0 0 "[ . 1 . 2]" 1
1239 1 81 GLY QA 1 84 ALA H 2.600 . 3.500 3.063 2.965 3.152 . 0 0 "[ . 1 . 2]" 1
1240 1 80 ILE HA 1 84 ALA H 2.600 . 6.000 5.185 4.821 5.548 . 0 0 "[ . 1 . 2]" 1
1241 2 83 LEU H 2 84 ALA H 2.000 . 2.500 2.645 2.614 2.681 0.181 14 0 "[ . 1 . 2]" 1
1242 2 82 GLU H 2 84 ALA H 2.500 . 3.300 3.505 3.444 3.563 0.263 20 0 "[ . 1 . 2]" 1
1243 1 7 THR MG 2 46 LEU H 1.000 . 6.000 5.928 5.038 6.405 0.405 2 0 "[ . 1 . 2]" 1
1244 1 45 GLN HA 1 46 LEU H 0.500 . 6.000 3.089 2.976 3.187 . 0 0 "[ . 1 . 2]" 1
1245 1 40 GLU H 1 41 LEU H 1.900 . 2.400 2.378 2.297 2.433 0.033 20 0 "[ . 1 . 2]" 1
1246 1 40 GLU QG 1 41 LEU H 2.300 . 5.000 3.150 2.605 3.990 . 0 0 "[ . 1 . 2]" 1
1247 2 44 GLN HG2 2 46 LEU H 2.500 . 6.000 5.874 5.165 6.415 0.415 11 0 "[ . 1 . 2]" 1
1248 2 41 LEU H 2 42 ALA H 2.200 . 2.800 3.109 3.045 3.165 0.365 19 0 "[ . 1 . 2]" 1
1249 2 11 ALA H 2 12 ALA H 2.100 . 2.600 2.580 2.414 2.641 0.041 14 0 "[ . 1 . 2]" 1
1250 2 41 LEU H 2 41 LEU QB 2.000 . 2.500 2.389 2.288 2.469 . 0 0 "[ . 1 . 2]" 1
1251 1 6 LEU H 1 7 THR H 2.600 . 6.000 4.256 4.057 4.447 . 0 0 "[ . 1 . 2]" 1
1252 2 82 GLU H 2 82 GLU HB2 2.300 . 2.900 2.390 2.259 2.543 . 0 0 "[ . 1 . 2]" 1
1253 2 82 GLU H 2 82 GLU QG 2.100 . 2.600 2.369 2.083 2.621 0.021 15 0 "[ . 1 . 2]" 1
1254 2 82 GLU H 2 83 LEU H 2.400 . 3.100 2.604 2.492 2.711 . 0 0 "[ . 1 . 2]" 1
1255 2 64 ASP QB 2 65 VAL H 2.400 . 5.000 2.792 2.506 3.146 . 0 0 "[ . 1 . 2]" 1
1256 1 80 ILE HA 1 82 GLU H 2.600 . 3.500 3.814 3.717 3.889 0.389 20 0 "[ . 1 . 2]" 1
1257 2 79 LEU HA 2 82 GLU H 2.200 . 2.800 3.017 2.925 3.133 0.333 19 0 "[ . 1 . 2]" 1
1258 2 81 GLY QA 2 82 GLU H 2.900 . 4.000 2.583 2.563 2.597 . 0 0 "[ . 1 . 2]" 1
1259 1 70 GLU HA 1 71 LEU H 1.700 . 6.000 2.006 1.907 2.061 . 0 0 "[ . 1 . 2]" 1
1260 2 65 VAL H 2 65 VAL HB 3.200 . 4.500 2.539 2.486 2.597 . 0 0 "[ . 1 . 2]" 1
1261 2 71 LEU H 2 71 LEU HG 2.100 . 4.500 4.378 3.940 4.748 0.248 17 0 "[ . 1 . 2]" 1
1262 1 33 LEU H 1 71 LEU H 2.500 . 5.500 4.261 3.907 4.954 . 0 0 "[ . 1 . 2]" 1
1263 1 75 GLU H 1 76 TYR QB 2.400 . 6.000 4.765 4.430 5.044 . 0 0 "[ . 1 . 2]" 1
1264 1 97 LYS H 1 97 LYS HB2 2.600 . 3.500 3.393 2.850 3.608 0.108 15 0 "[ . 1 . 2]" 1
1265 1 34 ASN H 1 70 GLU QG 2.600 . 6.000 5.223 3.862 5.824 . 0 0 "[ . 1 . 2]" 1
1266 1 72 ARG HG2 1 75 GLU H 2.800 . 6.000 6.049 5.636 6.248 0.248 15 0 "[ . 1 . 2]" 1
1267 1 33 LEU HA 1 34 ASN H 0.800 . 6.000 2.156 2.095 2.230 . 0 0 "[ . 1 . 2]" 1
1268 1 23 PHE HA 1 34 ASN H 0.700 . 6.000 6.284 5.989 7.003 1.003 18 3 "[ * . 1 -. + 2]" 1
1269 2 34 ASN H 2 35 ILE H 2.700 . 3.600 3.782 3.112 4.294 0.694 18 3 "[ *- . 1 . + 2]" 1
1270 1 33 LEU HB2 1 34 ASN H 1.400 . 6.000 3.326 2.507 3.504 . 0 0 "[ . 1 . 2]" 1
1271 2 73 PHE H 2 73 PHE QD 2.500 . 3.300 1.913 1.797 2.695 0.003 15 0 "[ . 1 . 2]" 1
1272 1 34 ASN HA 1 70 GLU H 0.900 . 6.000 4.556 4.264 4.728 . 0 0 "[ . 1 . 2]" 1
1273 1 93 LEU HA 1 96 ARG H 2.000 . 6.000 5.785 5.391 6.181 0.181 3 0 "[ . 1 . 2]" 1
1274 1 72 ARG HB2 1 73 PHE H 2.700 . 3.600 2.682 2.448 3.207 . 0 0 "[ . 1 . 2]" 1
1275 1 72 ARG HG2 2 96 ARG H 6.500 . 7.500 7.083 6.601 7.429 . 0 0 "[ . 1 . 2]" 1
1276 2 73 PHE H 2 73 PHE QB 2.300 . 5.000 2.766 2.492 3.050 . 0 0 "[ . 1 . 2]" 1
1277 1 14 GLU HB2 1 16 VAL H 2.500 . 6.000 4.784 4.601 5.490 . 0 0 "[ . 1 . 2]" 1
1278 2 15 THR HA 2 16 VAL H 2.200 . 4.500 3.516 3.497 3.533 . 0 0 "[ . 1 . 2]" 1
1279 2 16 VAL H 2 16 VAL HA 2.200 . 2.800 2.776 2.716 2.816 0.016 4 0 "[ . 1 . 2]" 1
1280 2 15 THR HG1 2 16 VAL H 2.200 . 6.000 4.464 4.339 4.636 . 0 0 "[ . 1 . 2]" 1
1281 1 16 VAL H 1 16 VAL HB 2.000 . 2.500 2.487 2.344 2.547 0.047 2 0 "[ . 1 . 2]" 1
1282 1 1 MET QG 1 2 ALA H 2.700 . 6.000 2.887 2.583 3.531 . 0 0 "[ . 1 . 2]" 1
1283 1 58 GLU QB 2 2 ALA H 1.000 . 6.000 5.192 4.548 5.586 . 0 0 "[ . 1 . 2]" 1
1284 2 32 SER HA 2 33 LEU H 2.200 . 2.800 2.396 2.309 2.479 . 0 0 "[ . 1 . 2]" 1
1285 2 33 LEU H 2 34 ASN HA 2.600 . 6.000 4.958 4.813 5.217 . 0 0 "[ . 1 . 2]" 1
1286 1 96 ARG HA 1 98 LYS H 5.000 . 6.200 3.955 3.873 4.042 . 0 0 "[ . 1 . 2]" 1
1287 1 77 TRP HE1 1 78 ARG HG2 2.600 . 3.500 2.381 2.142 2.653 . 0 0 "[ . 1 . 2]" 1
1288 1 67 GLN QE 1 77 TRP HE1 2.400 . 6.000 5.075 3.618 6.957 0.957 4 4 "[ +* 1- * 2]" 1
1289 2 77 TRP HE1 2 78 ARG HA 2.500 . 6.000 4.219 4.033 4.886 . 0 0 "[ . 1 . 2]" 1
1290 1 77 TRP HE1 1 80 ILE HB 2.800 . 6.000 6.482 6.359 7.231 1.231 15 3 "[ . 1- + * 2]" 1
1291 2 43 THR HG1 2 59 LYS QG 1.400 . 6.000 5.823 5.259 6.051 0.051 7 0 "[ . 1 . 2]" 1
1292 1 44 GLN HA 2 7 THR MG 1.500 . 2.200 2.788 2.371 4.055 1.855 9 4 "[- . +1 * .* 2]" 1
1293 1 22 THR HG1 1 25 GLY QA 1.600 . 6.000 5.954 5.604 6.067 0.067 2 0 "[ . 1 . 2]" 1
1294 1 6 LEU HG 1 8 GLU HA 1.500 . 6.000 4.197 3.533 4.356 . 0 0 "[ . 1 . 2]" 1
1295 1 95 ILE MG 2 74 SER HB2 1.700 . 6.000 2.306 1.860 3.097 . 0 0 "[ . 1 . 2]" 1
1296 1 39 LYS QG 1 43 THR HG1 2.300 . 6.000 5.151 4.892 5.289 . 0 0 "[ . 1 . 2]" 1
1297 1 58 GLU HA 1 62 THR HG1 1.600 . 2.200 2.296 2.250 2.344 0.144 7 0 "[ . 1 . 2]" 1
1298 1 22 THR HA 1 22 THR HG1 1.900 . 6.000 3.061 3.038 3.081 . 0 0 "[ . 1 . 2]" 1
1299 1 5 THR HA 1 5 THR MG 1.900 . 2.300 2.053 1.819 2.778 0.478 14 0 "[ . 1 . 2]" 1
1300 1 72 ARG HG2 1 73 PHE HB2 1.900 . 6.000 1.951 1.724 2.440 . 0 0 "[ . 1 . 2]" 1
1301 1 36 ASN QB 1 38 PHE HB2 2.300 . 6.000 5.647 5.555 5.739 . 0 0 "[ . 1 . 2]" 1
1302 2 61 LYS HA 2 61 LYS HB3 1.500 . 2.200 2.468 2.227 3.008 0.808 11 6 "[ *. * *+ . *-]" 1
1303 2 79 LEU HA 2 82 GLU QG 1.700 . 2.200 1.877 1.794 1.969 . 0 0 "[ . 1 . 2]" 1
1304 1 93 LEU HG 1 98 LYS QG 1.600 . 6.000 5.399 4.956 5.730 . 0 0 "[ . 1 . 2]" 1
1305 1 93 LEU HA 1 95 ILE MG 1.900 . 6.000 4.255 2.613 4.937 . 0 0 "[ . 1 . 2]" 1
1306 1 37 GLU HA 1 38 PHE HA 2.600 . 3.400 3.803 3.785 3.820 0.420 8 0 "[ . 1 . 2]" 1
1307 1 87 VAL HA 1 88 ARG QG 1.800 . 6.000 4.051 3.256 5.035 . 0 0 "[ . 1 . 2]" 1
1308 1 46 LEU HG 1 59 LYS QG 1.800 . 6.000 3.712 3.122 4.305 . 0 0 "[ . 1 . 2]" 1
1309 2 22 THR HB 2 22 THR HG1 2.100 . 2.600 2.566 2.474 2.693 0.093 17 0 "[ . 1 . 2]" 1
1310 2 89 LYS QG 2 90 GLU QG 1.800 . 2.200 2.260 2.161 2.338 0.138 5 0 "[ . 1 . 2]" 1
1311 1 36 ASN QB 1 39 LYS HD2 1.600 . 6.000 5.338 3.850 5.716 . 0 0 "[ . 1 . 2]" 1
1312 1 9 LEU HA 1 9 LEU QB 1.600 . 6.000 2.269 2.131 2.310 . 0 0 "[ . 1 . 2]" 1
1313 1 81 GLY QA 2 87 VAL HB 1.800 . 6.000 5.687 5.391 6.223 0.223 20 0 "[ . 1 . 2]" 1
1314 1 5 THR MG 1 10 GLU HA 5.500 . 6.000 7.378 6.368 7.906 1.906 10 19 "[*********+******** -]" 1
1315 1 69 SER HB2 1 80 ILE MG 1.400 . 6.000 4.390 3.782 4.770 . 0 0 "[ . 1 . 2]" 1
1316 1 8 GLU HA 1 8 GLU HB3 1.800 . 2.200 2.328 2.252 2.402 0.202 8 0 "[ . 1 . 2]" 1
1317 1 57 ASP HA 1 60 MET HB2 1.500 . 6.000 2.498 2.186 3.310 . 0 0 "[ . 1 . 2]" 1
1318 2 95 ILE MG 2 96 ARG QG 2.000 . 6.000 5.632 4.989 5.930 . 0 0 "[ . 1 . 2]" 1
1319 1 17 VAL HA 1 17 VAL HB 1.800 . 2.200 2.219 2.142 2.249 0.049 5 0 "[ . 1 . 2]" 1
1320 1 81 GLY QA 1 84 ALA HA 2.000 . 6.000 5.309 5.080 5.599 . 0 0 "[ . 1 . 2]" 1
1321 2 50 LEU HG 2 51 LYS HA 1.800 . 6.000 3.265 2.346 3.529 . 0 0 "[ . 1 . 2]" 1
1322 1 34 ASN HA 1 71 LEU QB 1.400 . 6.000 6.415 5.474 7.450 1.450 15 8 "[* * - *** + * 2]" 1
1323 2 83 LEU HB2 2 84 ALA HA 1.900 . 6.000 4.653 4.429 5.001 . 0 0 "[ . 1 . 2]" 1
1324 1 4 GLU HG2 2 54 GLY QA 0.900 . 2.200 2.150 1.663 3.082 0.882 4 3 "[ +. 1* . - 2]" 1
1325 1 1 MET HA 2 41 LEU QB 2.000 . 6.000 4.841 4.638 4.977 . 0 0 "[ . 1 . 2]" 1
1326 1 35 ILE MG 1 67 GLN HA 2.100 . 2.600 1.794 1.597 2.355 0.003 14 0 "[ . 1 . 2]" 1
1327 1 89 LYS HA 1 89 LYS HB3 1.800 . 2.200 2.370 2.163 2.599 0.399 18 0 "[ . 1 . 2]" 1
1328 1 1 MET QG 2 47 PRO QB 0.800 . 6.000 2.401 2.288 2.481 . 0 0 "[ . 1 . 2]" 1
1329 1 62 THR HB 1 66 ASN QB 1.300 . 2.200 2.033 1.750 2.328 0.128 19 0 "[ . 1 . 2]" 1
1330 1 78 ARG HG2 1 80 ILE MG 2.100 . 6.000 4.154 3.757 4.513 . 0 0 "[ . 1 . 2]" 1
1331 1 7 THR MG 2 41 LEU HG 1.700 . 6.000 3.942 3.448 4.406 . 0 0 "[ . 1 . 2]" 1
1332 1 57 ASP HA 1 60 MET HG2 1.800 . 6.000 3.703 2.907 4.527 . 0 0 "[ . 1 . 2]" 1
1333 1 88 ARG HA 1 88 ARG QG 1.900 . 2.400 2.357 2.226 2.407 0.007 13 0 "[ . 1 . 2]" 1
1334 2 95 ILE HA 2 95 ILE HB 2.100 . 2.600 2.501 2.389 2.576 . 0 0 "[ . 1 . 2]" 1
1335 1 2 ALA HA 2 61 LYS HB3 0.900 . 6.000 6.181 6.046 6.384 0.384 20 0 "[ . 1 . 2]" 1
1336 1 43 THR HA 1 43 THR HB 2.300 . 2.900 2.634 2.585 2.688 . 0 0 "[ . 1 . 2]" 1
1337 1 8 GLU HA 1 10 GLU HG2 2.200 . 6.000 2.905 2.443 3.311 . 0 0 "[ . 1 . 2]" 1
1338 1 1 MET QG 2 45 GLN QG 0.800 . 6.000 5.128 4.495 5.489 . 0 0 "[ . 1 . 2]" 1
1339 1 4 GLU HG2 2 53 VAL HB 1.100 . 6.000 5.186 4.396 5.965 . 0 0 "[ . 1 . 2]" 1
1340 1 37 GLU HB3 1 40 GLU HB3 1.400 . 6.000 3.706 3.032 4.897 . 0 0 "[ . 1 . 2]" 1
1341 2 57 ASP HA 2 57 ASP QB 2.000 . 6.000 2.269 2.152 2.468 . 0 0 "[ . 1 . 2]" 1
1342 1 80 ILE MG 2 87 VAL HA 2.400 . 6.000 6.168 5.774 6.358 0.358 20 0 "[ . 1 . 2]" 1
1343 1 57 ASP HB2 1 59 LYS HA 2.200 . 6.000 6.225 6.015 6.348 0.348 6 0 "[ . 1 . 2]" 1
1344 1 43 THR HA 1 43 THR HB 2.300 . 3.000 2.620 2.574 2.672 . 0 0 "[ . 1 . 2]" 1
1345 1 76 TYR QB 2 93 LEU HB3 1.600 . 6.000 5.478 5.027 5.637 . 0 0 "[ . 1 . 2]" 1
1346 1 6 LEU HG 2 89 LYS QG 1.900 . 6.000 2.524 1.792 4.464 . 0 0 "[ . 1 . 2]" 1
1347 1 76 TYR QD 2 93 LEU HG 2.200 . 6.000 4.165 4.002 4.305 . 0 0 "[ . 1 . 2]" 1
1348 1 59 LYS QB 1 60 MET HG2 2.100 . 6.000 3.486 2.803 4.291 . 0 0 "[ . 1 . 2]" 1
1349 2 20 PHE QE 2 23 PHE QE 2.100 . 2.700 2.206 1.843 2.858 0.158 3 0 "[ . 1 . 2]" 1
1350 2 20 PHE QE 2 23 PHE QE 2.100 . 6.000 2.365 1.866 3.745 . 0 0 "[ . 1 . 2]" 1
1351 1 29 ARG HD2 2 97 LYS QE 2.600 . 3.500 3.649 2.873 4.498 0.998 8 4 "[- . + 1 . **2]" 1
1352 1 1 MET HA 2 43 THR HG1 6.500 . 7.100 5.760 5.530 6.132 . 0 0 "[ . 1 . 2]" 1
1353 1 75 GLU H 1 76 TYR QD 2.200 . 6.000 4.856 3.933 5.193 . 0 0 "[ . 1 . 2]" 1
1354 1 89 LYS HA 1 89 LYS HB3 2.000 . 2.500 2.465 2.343 2.671 0.171 14 0 "[ . 1 . 2]" 1
1355 1 31 GLY QA 1 74 SER HA 5.100 . 6.300 6.419 6.125 6.872 0.572 6 2 "[ .+ 1 - 2]" 1
1356 1 29 ARG HD2 2 97 LYS QD 1.900 . 6.000 5.037 2.777 5.839 . 0 0 "[ . 1 . 2]" 1
1357 1 25 GLY QA 1 26 ARG QB 5.000 . 6.500 3.943 3.846 4.162 . 0 0 "[ . 1 . 2]" 1
1358 1 21 PHE QD 1 79 LEU H 1.200 . 6.000 6.273 6.094 6.970 0.970 15 2 "[ . 1 + - 2]" 1
1359 1 29 ARG HA 2 97 LYS QG 1.400 . 6.000 4.735 4.230 5.034 . 0 0 "[ . 1 . 2]" 1
1360 1 81 GLY QA 1 85 LYS HG2 2.000 . 6.000 3.847 1.932 4.517 . 0 0 "[ . 1 . 2]" 1
1361 1 33 LEU HB2 1 67 GLN HB2 2.200 . 6.000 5.053 4.634 5.416 . 0 0 "[ . 1 . 2]" 1
1362 1 37 GLU HG2 1 40 GLU HB3 3.100 . 4.300 4.353 3.749 5.078 0.778 6 2 "[ .+ 1 - . 2]" 1
1363 1 84 ALA HA 1 88 ARG QG 2.000 . 6.000 5.348 4.658 5.791 . 0 0 "[ . 1 . 2]" 1
1364 1 93 LEU HA 1 93 LEU HG 2.100 . 2.600 2.373 2.227 2.559 . 0 0 "[ . 1 . 2]" 1
1365 1 27 GLU HG2 1 29 ARG HB2 2.200 . 6.000 3.507 2.900 3.655 . 0 0 "[ . 1 . 2]" 1
1366 1 47 PRO HD3 1 51 LYS QE 3.000 . 4.100 3.796 3.198 4.593 0.493 8 0 "[ . 1 . 2]" 1
1367 1 35 ILE HA 1 35 ILE MG 1.800 . 2.200 2.094 1.900 2.220 0.020 3 0 "[ . 1 . 2]" 1
1368 1 4 GLU HA 2 53 VAL HB 1.700 . 6.000 6.118 5.774 6.622 0.622 10 2 "[ . + . - 2]" 1
1369 1 94 GLY QA 1 97 LYS QG 2.200 . 6.000 5.972 5.422 6.273 0.273 8 0 "[ . 1 . 2]" 1
1370 1 27 GLU HB2 1 29 ARG HD2 2.300 . 6.000 4.182 3.286 6.296 0.296 19 0 "[ . 1 . 2]" 1
1371 1 1 MET HA 2 59 LYS HA 2.100 . 6.000 2.844 2.493 3.094 . 0 0 "[ . 1 . 2]" 1
1372 1 43 THR HA 1 46 LEU HG 2.100 . 6.000 3.040 2.798 3.152 . 0 0 "[ . 1 . 2]" 1
1373 1 39 LYS QG 1 59 LYS QG 3.000 . 4.100 3.755 3.161 4.064 . 0 0 "[ . 1 . 2]" 1
1374 1 5 THR MG 1 7 THR MG 3.300 . 4.700 3.633 3.027 4.371 . 0 0 "[ . 1 . 2]" 1
1375 1 70 GLU HB2 1 72 ARG HD2 2.000 . 6.000 4.795 3.560 5.411 . 0 0 "[ . 1 . 2]" 1
1376 1 46 LEU HG 2 2 ALA HA 2.100 . 6.000 2.655 2.296 3.703 . 0 0 "[ . 1 . 2]" 1
1377 2 23 PHE QE 2 38 PHE HA 2.100 . 2.700 2.741 1.848 2.970 0.270 2 0 "[ . 1 . 2]" 1
1378 1 23 PHE HA 1 23 PHE QB 2.100 . 2.700 2.171 2.112 2.436 . 0 0 "[ . 1 . 2]" 1
1379 2 95 ILE HB 2 96 ARG QD 6.000 . 7.500 6.437 5.824 7.247 . 0 0 "[ . 1 . 2]" 1
1380 2 45 GLN QB 2 47 PRO QD 1.500 . 6.000 4.639 3.954 5.160 . 0 0 "[ . 1 . 2]" 1
1381 1 37 GLU HG2 1 41 LEU QB 2.100 . 6.000 5.532 5.127 6.320 0.320 20 0 "[ . 1 . 2]" 1
1382 1 57 ASP HA 1 61 LYS HA 2.400 . 6.000 3.994 3.920 4.151 . 0 0 "[ . 1 . 2]" 1
1383 1 8 GLU HB3 1 12 ALA HA 2.600 . 6.000 3.854 3.725 4.953 . 0 0 "[ . 1 . 2]" 1
1384 1 21 PHE QE 1 22 THR MG 2.200 . 6.000 6.141 6.035 6.271 0.271 18 0 "[ . 1 . 2]" 1
1385 1 1 MET QG 1 3 ALA HA 0.800 . 6.000 4.757 4.225 5.043 . 0 0 "[ . 1 . 2]" 1
1386 1 86 GLU QB 2 9 LEU HA 2.100 . 6.000 5.081 4.395 5.527 . 0 0 "[ . 1 . 2]" 1
1387 1 39 LYS HD2 2 1 MET QG 2.300 . 6.000 4.712 3.221 6.424 0.424 2 0 "[ . 1 . 2]" 1
1388 1 4 GLU HA 2 41 LEU QB 1.600 . 6.000 3.338 2.431 4.160 . 0 0 "[ . 1 . 2]" 1
1389 1 23 PHE HA 1 37 GLU HG2 2.300 . 6.000 4.523 3.877 4.771 . 0 0 "[ . 1 . 2]" 1
1390 1 39 LYS HB3 1 39 LYS QG 1.200 . 2.200 2.026 2.006 2.082 . 0 0 "[ . 1 . 2]" 1
1391 1 63 LEU HB2 1 66 ASN QB 2.100 . 6.000 5.798 5.413 6.570 0.570 8 1 "[ . + 1 . 2]" 1
1392 1 19 THR HG1 1 20 PHE QE 2.100 . 6.000 5.369 5.115 5.614 . 0 0 "[ . 1 . 2]" 1
1393 1 43 THR HB 1 43 THR HG1 2.400 . 3.100 2.820 2.803 2.833 . 0 0 "[ . 1 . 2]" 1
1394 1 20 PHE QE 1 22 THR HG1 2.500 . 6.000 3.834 3.363 5.361 . 0 0 "[ . 1 . 2]" 1
1395 1 6 LEU HG 2 86 GLU QG 1.900 . 6.000 3.428 2.545 4.487 . 0 0 "[ . 1 . 2]" 1
1396 1 58 GLU HG3 1 59 LYS QB 2.300 . 6.000 3.834 2.360 4.769 . 0 0 "[ . 1 . 2]" 1
1397 1 73 PHE QD 1 76 TYR QB 2.300 . 6.000 5.670 5.259 5.856 . 0 0 "[ . 1 . 2]" 1
1398 2 85 LYS HA 2 85 LYS QB 2.300 . 2.900 2.409 2.180 2.525 . 0 0 "[ . 1 . 2]" 1
1399 1 38 PHE HA 1 38 PHE QD 2.500 . 3.300 2.748 2.614 2.819 . 0 0 "[ . 1 . 2]" 1
1400 1 90 GLU HB2 2 10 GLU HB3 2.500 . 6.000 6.144 5.635 6.332 0.332 18 0 "[ . 1 . 2]" 1
1401 1 48 HIS QB 1 51 LYS QE . . 3.400 3.121 1.658 4.315 0.915 12 3 "[ * . 1 + .- 2]" 1
1402 1 32 SER QB 1 72 ARG HG2 4.400 . 5.400 3.807 3.605 4.191 . 0 0 "[ . 1 . 2]" 1
1403 1 81 GLY QA 1 85 LYS HD2 2.000 . 6.000 5.628 4.613 6.466 0.466 6 0 "[ . 1 . 2]" 1
1404 1 35 ILE HA 1 35 ILE HB 1.900 . 2.400 2.314 2.146 2.397 . 0 0 "[ . 1 . 2]" 1
1405 1 59 LYS H 1 59 LYS QB 2.300 . 3.000 2.181 2.078 2.392 . 0 0 "[ . 1 . 2]" 1
1406 2 20 PHE QB 2 20 PHE QD 2.300 . 3.000 1.919 1.885 2.002 . 0 0 "[ . 1 . 2]" 1
1407 2 48 HIS QB 2 49 LEU HB2 2.200 . 6.000 4.254 3.800 5.393 . 0 0 "[ . 1 . 2]" 1
1408 1 3 ALA HA 2 52 ASP QB 1.800 . 6.000 5.098 4.827 5.539 . 0 0 "[ . 1 . 2]" 1
1409 1 92 ALA HA 1 96 ARG QD 2.200 . 6.000 4.221 3.841 4.526 . 0 0 "[ . 1 . 2]" 1
1410 1 1 MET QG 2 43 THR HG1 2.600 . 6.000 2.201 1.922 2.617 . 0 0 "[ . 1 . 2]" 1
1411 1 74 SER HA 1 75 GLU HA 2.900 . 4.000 4.186 4.077 4.272 0.272 1 0 "[ . 1 . 2]" 1
1412 1 44 GLN HB2 1 51 LYS HB2 2.100 . 6.000 4.353 4.096 4.606 . 0 0 "[ . 1 . 2]" 1
1413 2 46 LEU H 2 51 LYS QG 2.400 . 6.000 5.231 4.213 5.715 . 0 0 "[ . 1 . 2]" 1
1414 1 42 ALA H 1 46 LEU HG 2.500 . 6.000 5.957 5.695 6.221 0.221 20 0 "[ . 1 . 2]" 1
1415 1 75 GLU HB2 1 76 TYR QB 2.200 . 6.000 5.541 5.398 5.743 . 0 0 "[ . 1 . 2]" 1
1416 1 14 GLU HG2 1 15 THR HB 2.600 . 6.000 5.677 3.653 6.025 0.025 2 0 "[ . 1 . 2]" 1
1417 2 44 GLN HA 2 51 LYS QE 1.800 . 6.000 4.208 3.751 4.786 . 0 0 "[ . 1 . 2]" 1
1418 1 82 GLU HB2 1 83 LEU HB2 5.400 2.200 6.400 3.850 3.472 4.137 . 0 0 "[ . 1 . 2]" 1
1419 1 76 TYR QD 1 80 ILE MG 2.400 . 6.000 4.407 4.091 4.625 . 0 0 "[ . 1 . 2]" 1
1420 2 19 THR H 2 19 THR HG1 2.100 . 6.000 1.917 1.876 1.982 . 0 0 "[ . 1 . 2]" 1
1421 1 38 PHE QD 1 41 LEU HG 2.600 . 3.400 2.483 1.927 2.742 . 0 0 "[ . 1 . 2]" 1
1422 1 85 LYS QE 1 85 LYS HG2 2.700 . 3.600 2.618 2.082 3.192 . 0 0 "[ . 1 . 2]" 1
1423 1 75 GLU HB2 1 77 TRP HH2 2.400 . 6.000 4.263 4.104 4.491 . 0 0 "[ . 1 . 2]" 1
1424 1 9 LEU HG 2 85 LYS HA 1.500 . 6.000 4.399 4.185 4.572 . 0 0 "[ . 1 . 2]" 1
1425 1 83 LEU HG 2 84 ALA HA 2.000 . 6.000 5.091 4.874 5.331 . 0 0 "[ . 1 . 2]" 1
1426 1 97 LYS H 1 98 LYS QG 2.400 . 6.000 3.543 3.353 3.945 . 0 0 "[ . 1 . 2]" 1
1427 1 77 TRP HB2 1 80 ILE HB 2.500 . 6.000 3.690 3.330 4.209 . 0 0 "[ . 1 . 2]" 1
1428 1 85 LYS HA 1 86 GLU HA 2.500 . 6.000 4.156 4.077 4.233 . 0 0 "[ . 1 . 2]" 1
1429 1 82 GLU HB2 1 84 ALA HA 2.800 . 6.000 6.302 6.187 6.395 0.395 15 0 "[ . 1 . 2]" 1
1430 2 76 TYR HA 2 76 TYR HB2 2.300 . 3.000 2.900 2.856 2.928 . 0 0 "[ . 1 . 2]" 1
1431 1 20 PHE H 1 20 PHE HB3 2.500 . 3.300 1.805 1.732 1.962 . 0 0 "[ . 1 . 2]" 1
1432 1 17 VAL HA 1 20 PHE HB3 2.600 2.100 5.000 5.090 4.638 5.850 0.850 16 1 "[ . 1 .+ 2]" 1
1433 1 5 THR MG 2 89 LYS HD3 2.600 . 6.000 2.115 1.762 4.043 . 0 0 "[ . 1 . 2]" 1
1434 1 5 THR HA 2 52 ASP QB 2.700 . 6.000 3.022 1.841 4.527 . 0 0 "[ . 1 . 2]" 1
1435 1 26 ARG HD2 1 71 LEU QB 2.600 . 6.000 3.817 3.248 4.074 . 0 0 "[ . 1 . 2]" 1
1436 1 6 LEU HG 1 11 ALA H 2.800 . 3.800 4.309 4.090 5.804 2.004 15 2 "[ . 1 + - 2]" 1
1437 1 38 PHE QD 1 66 ASN QB 2.600 . 3.400 3.236 2.945 3.596 0.196 18 0 "[ . 1 . 2]" 1
1438 1 60 MET HB2 1 60 MET HG2 2.300 . 3.000 2.362 2.169 2.681 . 0 0 "[ . 1 . 2]" 1
1439 1 13 ILE HG13 1 15 THR HG1 2.700 . 6.000 4.853 4.652 5.080 . 0 0 "[ . 1 . 2]" 1
1440 2 47 PRO QB 2 48 HIS QB 2.200 . 6.000 5.095 4.986 5.208 . 0 0 "[ . 1 . 2]" 1
1441 1 30 LYS HB2 1 76 TYR QB 2.300 . 6.000 5.599 4.563 6.445 0.445 7 0 "[ . 1 . 2]" 1
1442 2 71 LEU HG 2 77 TRP HD1 1.900 . 6.000 6.044 5.789 6.285 0.285 20 0 "[ . 1 . 2]" 1
1443 1 57 ASP HB2 1 60 MET HG2 3.000 . 6.000 5.210 4.427 6.097 0.097 20 0 "[ . 1 . 2]" 1
1444 1 37 GLU HB3 1 40 GLU QG 2.100 . 2.700 2.951 2.450 3.604 0.904 20 6 "[ . ** 1 *-* +]" 1
1445 1 6 LEU QB 2 86 GLU QG 2.400 . 3.100 2.172 1.736 3.121 0.021 20 0 "[ . 1 . 2]" 1
1446 1 93 LEU HA 1 96 ARG QB 5.500 . 6.500 6.369 5.843 7.412 0.912 10 3 "[- .* + . 2]" 1
1447 2 27 GLU HB2 2 27 GLU HG2 2.400 . 3.100 2.643 2.411 3.010 . 0 0 "[ . 1 . 2]" 1
1448 1 7 THR HA 1 7 THR HB 2.600 . 3.400 2.829 2.603 2.975 . 0 0 "[ . 1 . 2]" 1
1449 1 7 THR HB 1 9 LEU HG 2.700 . 6.000 2.221 1.960 2.796 . 0 0 "[ . 1 . 2]" 1
1450 1 56 LEU HA 1 60 MET HG2 2.600 . 3.400 2.689 2.438 3.042 . 0 0 "[ . 1 . 2]" 1
1451 1 43 THR H 1 46 LEU HG 2.500 . 6.000 3.749 3.608 3.875 . 0 0 "[ . 1 . 2]" 1
1452 1 46 LEU HG 1 53 VAL HB 5.500 . 7.000 6.954 6.172 7.301 0.301 11 0 "[ . 1 . 2]" 1
1453 1 1 MET QG 2 59 LYS QG 2.800 . 6.000 2.594 1.701 3.540 . 0 0 "[ . 1 . 2]" 1
1454 1 54 GLY HA2 2 1 MET QB 2.500 . 6.000 4.916 4.789 5.010 . 0 0 "[ . 1 . 2]" 1
1455 1 80 ILE HA 1 82 GLU HB2 1.900 . 6.000 4.571 4.340 4.742 . 0 0 "[ . 1 . 2]" 1
1456 2 52 ASP H 2 54 GLY H 3.000 . 4.100 4.290 4.128 4.485 0.385 9 0 "[ . 1 . 2]" 1
1457 2 17 VAL H 2 17 VAL HB 2.600 . 3.100 2.560 2.484 2.640 . 0 0 "[ . 1 . 2]" 1
1458 1 37 GLU HB3 1 41 LEU HG 2.600 . 3.500 3.537 3.459 3.631 0.131 9 0 "[ . 1 . 2]" 1
1459 1 2 ALA HA 2 59 LYS QG 4.300 . 5.000 4.292 3.881 4.653 . 0 0 "[ . 1 . 2]" 1
1460 1 21 PHE HA 1 23 PHE QB 2.800 . 3.800 3.749 3.112 4.310 0.510 20 1 "[ . 1 . +]" 1
1461 1 23 PHE QD 1 38 PHE QD 5.600 . 7.600 4.026 3.823 4.399 . 0 0 "[ . 1 . 2]" 1
1462 1 5 THR MG 1 6 LEU QB 3.400 . 4.900 2.618 2.412 2.816 . 0 0 "[ . 1 . 2]" 1
1463 2 84 ALA HA 2 87 VAL HB 2.600 . 6.000 2.649 2.167 3.410 . 0 0 "[ . 1 . 2]" 1
1464 1 31 GLY QA 1 72 ARG HG2 2.500 . 6.000 3.212 3.099 3.321 . 0 0 "[ . 1 . 2]" 1
1465 1 60 MET HA 1 61 LYS HG2 2.500 . 6.000 4.413 4.140 4.845 . 0 0 "[ . 1 . 2]" 1
1466 2 42 ALA HA 2 45 GLN QG 2.800 . 3.800 2.963 1.767 3.796 0.033 10 0 "[ . 1 . 2]" 1
1467 1 60 MET HA 1 62 THR HA 1.700 . 6.000 5.236 4.850 5.627 . 0 0 "[ . 1 . 2]" 1
1468 1 39 LYS HD2 1 43 THR HG1 2.500 . 6.000 6.059 5.871 6.435 0.435 16 0 "[ . 1 . 2]" 1
1469 1 97 LYS QG 2 29 ARG QG 2.700 . 6.000 5.174 4.195 7.202 1.202 14 1 "[ . 1 +. 2]" 1
1470 2 13 ILE QG 2 16 VAL HB 2.600 . 6.000 5.343 4.899 5.601 . 0 0 "[ . 1 . 2]" 1
1471 1 13 ILE HA 1 80 ILE HA 1.600 . 6.000 5.892 5.119 6.137 0.137 1 0 "[ . 1 . 2]" 1
1472 1 1 MET HA 2 41 LEU HG 2.800 . 6.000 3.562 2.912 4.081 . 0 0 "[ . 1 . 2]" 1
1473 1 71 LEU QB 1 73 PHE HB2 1.100 . 6.000 4.864 3.906 5.657 . 0 0 "[ . 1 . 2]" 1
1474 1 32 SER HA 1 72 ARG HA 2.900 . 6.000 4.506 4.266 4.996 . 0 0 "[ . 1 . 2]" 1
1475 2 51 LYS H 2 51 LYS HB2 2.000 . 2.500 2.456 2.158 2.618 0.118 7 0 "[ . 1 . 2]" 1
1476 1 5 THR H 1 5 THR MG 3.000 . 4.100 2.142 1.717 2.889 0.183 14 0 "[ . 1 . 2]" 1
1477 2 52 ASP QB 2 54 GLY QA 2.600 . 6.000 4.405 4.154 4.673 . 0 0 "[ . 1 . 2]" 1
1478 1 20 PHE QD 1 23 PHE QE 2.800 . 3.800 3.803 2.847 4.173 0.373 12 0 "[ . 1 . 2]" 1
1479 1 96 ARG HA 1 98 LYS HE2 1.700 . 6.000 4.467 2.954 5.916 . 0 0 "[ . 1 . 2]" 1
1480 1 87 VAL HA 1 89 LYS QE 3.000 . 4.100 3.693 2.975 4.126 0.026 15 0 "[ . 1 . 2]" 1
1481 1 51 LYS H 1 52 ASP QB 2.600 . 6.000 5.263 5.016 5.510 . 0 0 "[ . 1 . 2]" 1
1482 1 34 ASN QB 1 70 GLU QG 5.500 . 6.600 6.554 5.012 7.403 0.803 2 2 "[ + . 1 . - 2]" 1
1483 1 37 GLU HB3 1 39 LYS H 2.700 . 3.600 2.523 2.400 3.460 . 0 0 "[ . 1 . 2]" 1
1484 1 34 ASN HA 1 38 PHE HB2 2.900 . 6.000 4.439 4.283 4.667 . 0 0 "[ . 1 . 2]" 1
1485 1 1 MET QG 2 43 THR HA 2.800 . 3.800 3.677 3.502 3.838 0.038 12 0 "[ . 1 . 2]" 1
1486 2 56 LEU HA 2 57 ASP QB 2.700 . 6.000 5.190 5.036 5.277 . 0 0 "[ . 1 . 2]" 1
1487 1 56 LEU HA 1 59 LYS QG 2.800 . 3.800 3.344 2.546 3.743 . 0 0 "[ . 1 . 2]" 1
1488 1 70 GLU HA 1 70 GLU QG 2.900 . 3.900 2.640 2.074 3.038 . 0 0 "[ . 1 . 2]" 1
1489 1 20 PHE HA 1 21 PHE HA 2.600 . 3.500 4.164 4.019 4.239 0.739 19 20 [*************-****+*] 1
1490 1 71 LEU HA 1 79 LEU HG 2.800 . 6.000 5.719 5.222 6.344 0.344 18 0 "[ . 1 . 2]" 1
1491 1 21 PHE HA 1 21 PHE QD 2.700 . 3.600 2.054 1.900 2.195 . 0 0 "[ . 1 . 2]" 1
1492 1 4 GLU HG2 1 5 THR MG 2.900 . 3.900 4.074 3.901 4.278 0.378 18 0 "[ . 1 . 2]" 1
1493 1 39 LYS QG 1 60 MET HG2 2.800 . 6.000 5.392 4.833 6.137 0.137 5 0 "[ . 1 . 2]" 1
1494 2 30 LYS HB2 2 73 PHE QB 4.900 . 5.900 5.576 4.422 6.682 0.782 7 1 "[ . + 1 . 2]" 1
1495 1 66 ASN QB 1 85 LYS QE 3.700 . 5.400 4.816 4.449 6.743 1.343 11 1 "[ . 1+ . 2]" 1
1496 1 77 TRP HA 1 80 ILE MG 2.900 . 6.000 3.696 3.030 3.870 . 0 0 "[ . 1 . 2]" 1
1497 1 11 ALA HA 1 12 ALA H 2.800 . 3.800 2.606 2.587 2.633 . 0 0 "[ . 1 . 2]" 1
1498 1 23 PHE QB 1 38 PHE HB2 2.700 . 6.000 4.525 4.085 4.885 . 0 0 "[ . 1 . 2]" 1
1499 1 23 PHE HA 1 24 ALA HA 4.300 . 6.000 4.554 4.386 4.657 . 0 0 "[ . 1 . 2]" 1
1500 1 10 GLU HA 1 11 ALA HA 3.200 . 4.500 3.571 3.379 3.690 . 0 0 "[ . 1 . 2]" 1
1501 1 10 GLU HA 1 14 GLU HG2 1.600 . 6.000 5.870 5.011 6.574 0.574 7 2 "[ - . + 1 . 2]" 1
1502 1 44 GLN H 1 44 GLN HB2 2.600 . 3.400 2.536 2.292 2.808 . 0 0 "[ . 1 . 2]" 1
1503 1 34 ASN H 1 70 GLU HB2 2.600 . 6.000 5.990 5.364 6.147 0.147 16 0 "[ . 1 . 2]" 1
1504 2 54 GLY QA 2 59 LYS QD 2.800 . 3.800 2.775 2.411 4.500 0.700 4 1 "[ +. 1 . 2]" 1
1505 2 54 GLY QA 2 59 LYS QD 2.800 . 3.800 2.832 2.417 5.270 1.470 4 1 "[ +. 1 . 2]" 1
1506 1 33 LEU HG 1 70 GLU HA 3.100 . 6.000 3.585 2.036 5.107 . 0 0 "[ . 1 . 2]" 1
1507 1 6 LEU HA 2 85 LYS HE2 3.200 . 6.000 5.358 4.432 6.056 0.056 4 0 "[ . 1 . 2]" 1
1508 1 40 GLU HB3 1 43 THR HG1 5.500 . 6.500 4.316 4.061 4.664 . 0 0 "[ . 1 . 2]" 1
1509 1 39 LYS H 1 39 LYS HB3 2.600 . 3.500 3.551 3.532 3.569 0.069 13 0 "[ . 1 . 2]" 1
1510 1 42 ALA HA 1 59 LYS HA 2.200 . 6.000 5.727 5.452 6.047 0.047 13 0 "[ . 1 . 2]" 1
1511 2 21 PHE QB 2 21 PHE QE 2.800 . 3.800 3.957 3.942 3.969 0.169 18 0 "[ . 1 . 2]" 1
1512 1 40 GLU QG 2 1 MET QG 1.700 . 6.000 5.384 5.001 5.613 . 0 0 "[ . 1 . 2]" 1
1513 1 16 VAL HA 1 18 SER HB2 2.300 . 3.000 3.357 3.308 3.516 0.516 6 1 "[ .+ 1 . 2]" 1
1514 1 43 THR MG 1 46 LEU HG 1.000 . 6.000 4.077 3.871 4.222 . 0 0 "[ . 1 . 2]" 1
1515 1 95 ILE MG 1 98 LYS HB2 1.100 . 6.000 4.722 3.912 5.295 . 0 0 "[ . 1 . 2]" 1
1516 1 67 GLN HB2 1 67 GLN QG 1.500 . 2.200 2.157 2.071 2.379 0.179 13 0 "[ . 1 . 2]" 1
1517 1 5 THR MG 2 89 LYS QG 1.700 . 6.000 2.269 1.796 3.489 . 0 0 "[ . 1 . 2]" 1
1518 1 9 LEU QB 1 9 LEU HG 1.700 . 2.200 2.020 1.931 2.275 0.075 20 0 "[ . 1 . 2]" 1
1519 1 4 GLU HA 2 51 LYS QG 0.900 . 6.000 5.656 5.312 6.000 0.000 14 0 "[ . 1 . 2]" 1
1520 1 51 LYS HG3 1 53 VAL HA 1.700 . 6.000 2.689 2.535 3.312 . 0 0 "[ . 1 . 2]" 1
1521 1 95 ILE HA 1 95 ILE MG 2.000 . 6.000 2.190 1.831 2.826 . 0 0 "[ . 1 . 2]" 1
1522 1 22 THR HB 1 22 THR HG1 1.700 . 2.200 2.334 2.295 2.402 0.202 13 0 "[ . 1 . 2]" 1
1523 2 16 VAL HA 2 19 THR HG1 1.400 . 2.200 2.217 1.984 2.314 0.114 10 0 "[ . 1 . 2]" 1
1524 1 37 GLU HA 1 38 PHE HA 2.500 . 6.000 4.006 3.981 4.036 . 0 0 "[ . 1 . 2]" 1
1525 2 46 LEU HG 2 59 LYS QG 1.900 . 6.000 3.529 2.651 3.744 . 0 0 "[ . 1 . 2]" 1
1526 1 14 GLU HA 1 17 VAL HB 1.700 . 6.000 3.487 3.348 3.651 . 0 0 "[ . 1 . 2]" 1
1527 1 62 THR HG1 1 63 LEU HA 1.000 . 6.000 5.672 5.398 5.858 . 0 0 "[ . 1 . 2]" 1
1528 2 39 LYS QG 2 41 LEU HG 1.700 . 6.000 5.701 5.544 5.833 . 0 0 "[ . 1 . 2]" 1
1529 1 22 THR HA 1 22 THR HG1 2.000 . 6.000 3.454 3.430 3.490 . 0 0 "[ . 1 . 2]" 1
1530 1 37 GLU HG2 1 39 LYS HA 1.900 . 6.000 2.749 1.918 4.162 . 0 0 "[ . 1 . 2]" 1
1531 1 39 LYS HA 1 39 LYS QG 2.000 . 2.500 2.017 1.884 2.075 . 0 0 "[ . 1 . 2]" 1
1532 1 23 PHE QE 1 38 PHE QD 2.200 . 2.800 2.369 1.954 4.106 1.306 14 2 "[ . 1 -+. 2]" 1
1533 1 8 GLU HA 1 9 LEU HG 1.700 . 6.000 4.784 4.261 4.951 . 0 0 "[ . 1 . 2]" 1
1534 1 56 LEU HA 1 59 LYS QG 2.400 . 6.000 3.213 2.313 3.788 . 0 0 "[ . 1 . 2]" 1
1535 1 5 THR MG 1 9 LEU HA 2.100 . 6.000 2.341 2.126 2.570 . 0 0 "[ . 1 . 2]" 1
1536 2 95 ILE MG 2 97 LYS HA 1.000 . 6.000 6.156 5.817 6.366 0.366 1 0 "[ . 1 . 2]" 1
1537 1 23 PHE QE 1 76 TYR QE 6.000 . 8.000 8.377 6.161 9.496 1.496 14 6 "[ -** 1 +.** 2]" 1
1538 1 1 MET QG 2 45 GLN QG 1.000 . 6.000 4.116 3.573 4.731 . 0 0 "[ . 1 . 2]" 1
1539 1 78 ARG HA 1 80 ILE MG 2.100 . 6.000 3.268 3.043 3.461 . 0 0 "[ . 1 . 2]" 1
1540 1 37 GLU HA 1 37 GLU HG2 1.900 . 2.400 2.470 2.317 2.593 0.193 13 0 "[ . 1 . 2]" 1
1541 1 1 MET HB2 2 41 LEU HG 1.800 . 6.000 3.325 3.141 3.472 . 0 0 "[ . 1 . 2]" 1
1542 1 77 TRP HD1 1 77 TRP HE3 2.200 . 6.000 3.506 3.316 3.702 . 0 0 "[ . 1 . 2]" 1
1543 1 16 VAL HA 1 17 VAL HA 1.800 . 6.000 3.712 3.645 3.760 . 0 0 "[ . 1 . 2]" 1
1544 1 2 ALA H 2 43 THR HG1 2.200 . 6.000 5.502 5.149 5.827 . 0 0 "[ . 1 . 2]" 1
1545 1 39 LYS QG 1 59 LYS QB 2.300 . 6.000 5.449 4.589 5.811 . 0 0 "[ . 1 . 2]" 1
1546 1 62 THR HB 1 66 ASN QB 1.400 . 2.200 2.041 1.751 2.351 0.151 19 0 "[ . 1 . 2]" 1
1547 2 89 LYS QG 2 90 GLU HB2 2.000 . 6.000 3.558 3.478 3.652 . 0 0 "[ . 1 . 2]" 1
1548 1 74 SER HA 2 94 GLY QA 2.500 . 3.300 3.190 2.445 3.478 0.178 1 0 "[ . 1 . 2]" 1
1549 1 22 THR HG1 1 37 GLU HB3 2.300 . 6.000 5.729 5.255 6.055 0.055 20 0 "[ . 1 . 2]" 1
1550 1 84 ALA MB 1 85 LYS HA 2.100 . 6.000 3.863 3.766 3.938 . 0 0 "[ . 1 . 2]" 1
1551 1 33 LEU HG 1 69 SER HA 2.000 . 6.000 4.854 4.444 5.701 . 0 0 "[ . 1 . 2]" 1
1552 1 23 PHE QB 1 40 GLU QG 2.000 . 6.000 4.357 3.566 5.432 . 0 0 "[ . 1 . 2]" 1
1553 1 39 LYS QG 1 41 LEU QB 5.100 . 6.200 5.069 4.839 5.233 . 0 0 "[ . 1 . 2]" 1
1554 1 92 ALA HA 1 95 ILE H . . 2.300 3.646 3.391 3.963 1.663 5 20 [-***+***************] 1
1555 1 1 MET HA 2 59 LYS HA 2.200 . 6.000 2.834 2.490 3.079 . 0 0 "[ . 1 . 2]" 1
1556 1 3 ALA HA 2 38 PHE HA 2.800 . 3.800 3.928 3.841 4.022 0.222 14 0 "[ . 1 . 2]" 1
1557 1 90 GLU HA 1 93 LEU H 2.100 . 2.700 2.674 2.516 2.793 0.093 2 0 "[ . 1 . 2]" 1
1558 1 7 THR MG 2 46 LEU H 1.400 . 6.000 5.150 4.825 5.395 . 0 0 "[ . 1 . 2]" 1
1559 2 41 LEU QB 2 59 LYS QG 2.100 . 6.000 5.069 4.773 5.320 . 0 0 "[ . 1 . 2]" 1
1560 1 70 GLU H 1 77 TRP HD1 2.300 . 6.000 5.836 5.633 6.014 0.014 13 0 "[ . 1 . 2]" 1
1561 1 39 LYS HD2 1 39 LYS QG 2.100 . 2.700 2.357 2.222 2.425 . 0 0 "[ . 1 . 2]" 1
1562 1 51 LYS HB2 1 59 LYS QG 2.200 . 6.000 4.619 3.565 5.450 . 0 0 "[ . 1 . 2]" 1
1563 1 97 LYS QG 2 29 ARG QG 2.200 . 6.000 3.895 3.357 4.533 . 0 0 "[ . 1 . 2]" 1
1564 1 76 TYR QD 2 93 LEU HG 2.100 . 6.000 3.841 3.703 3.937 . 0 0 "[ . 1 . 2]" 1
1565 1 75 GLU HB2 1 77 TRP HH2 2.400 . 6.000 4.175 3.942 4.446 . 0 0 "[ . 1 . 2]" 1
1566 2 18 SER HA 2 18 SER HB3 2.700 . 3.600 2.639 2.448 3.025 . 0 0 "[ . 1 . 2]" 1
1567 1 83 LEU HA 1 83 LEU HG 1.700 . 2.200 2.243 2.162 2.355 0.155 14 0 "[ . 1 . 2]" 1
1568 1 11 ALA HA 1 14 GLU HG2 2.300 . 3.000 3.058 2.469 3.796 0.796 6 1 "[ .+ 1 . 2]" 1
1569 1 5 THR MG 1 7 THR HA 5.600 . 6.000 6.076 4.150 6.272 0.272 17 0 "[ . 1 . 2]" 1
1570 1 5 THR H 1 5 THR MG 2.400 . 6.000 3.272 2.153 3.425 . 0 0 "[ . 1 . 2]" 1
1571 1 21 PHE QE 1 23 PHE QD 2.100 . 6.000 4.627 3.843 4.894 . 0 0 "[ . 1 . 2]" 1
1572 2 82 GLU HA 2 82 GLU HB2 2.200 . 2.800 2.971 2.955 2.982 0.182 11 0 "[ . 1 . 2]" 1
1573 2 40 GLU HB3 2 41 LEU HA 2.200 . 6.000 3.720 2.923 4.537 . 0 0 "[ . 1 . 2]" 1
1574 1 41 LEU HA 1 43 THR HB 2.600 . 3.400 4.222 4.154 4.341 0.941 6 20 [*****+************-*] 1
1575 2 38 PHE HA 2 41 LEU HG 2.100 . 2.700 1.963 1.864 2.187 . 0 0 "[ . 1 . 2]" 1
1576 1 61 LYS HD2 1 62 THR HG1 2.600 . 6.000 4.838 3.476 5.756 . 0 0 "[ . 1 . 2]" 1
1577 1 67 GLN HA 1 67 GLN HB2 2.100 . 2.700 2.397 2.222 2.675 . 0 0 "[ . 1 . 2]" 1
1578 1 37 GLU HG2 1 70 GLU H 2.000 . 6.000 5.353 5.022 5.835 . 0 0 "[ . 1 . 2]" 1
1579 1 21 PHE QE 1 22 THR HG1 2.200 . 6.000 3.866 3.384 5.435 . 0 0 "[ . 1 . 2]" 1
1580 1 1 MET QG 2 41 LEU HA 1.300 . 6.000 3.327 2.992 4.350 . 0 0 "[ . 1 . 2]" 1
1581 1 74 SER HA 1 74 SER HB2 2.300 . 6.000 2.354 2.219 2.628 . 0 0 "[ . 1 . 2]" 1
1582 2 77 TRP HD1 2 78 ARG HA 2.300 . 3.000 2.350 2.244 2.539 . 0 0 "[ . 1 . 2]" 1
1583 1 2 ALA HA 2 46 LEU HG 2.300 . 2.900 2.654 2.296 3.701 0.801 2 2 "[ + . -1 . 2]" 1
1584 1 61 LYS H 1 63 LEU HG 2.700 . 6.000 6.089 5.255 6.316 0.316 9 0 "[ . 1 . 2]" 1
1585 2 16 VAL H 2 19 THR HG1 2.100 . 6.000 4.395 4.098 4.558 . 0 0 "[ . 1 . 2]" 1
1586 1 87 VAL HB 1 88 ARG QG 2.300 . 6.000 5.482 5.128 5.870 . 0 0 "[ . 1 . 2]" 1
1587 1 43 THR HG1 2 1 MET QG 1.800 . 2.200 2.094 1.914 2.241 0.041 5 0 "[ . 1 . 2]" 1
1588 2 42 ALA H 2 59 LYS QG 2.500 . 6.000 4.100 3.861 4.316 . 0 0 "[ . 1 . 2]" 1
1589 1 7 THR HB 1 9 LEU HG 2.400 . 6.000 2.219 1.960 2.790 . 0 0 "[ . 1 . 2]" 1
1590 1 2 ALA H 2 39 LYS QG 1.800 . 6.000 5.579 5.123 5.885 . 0 0 "[ . 1 . 2]" 1
1591 2 71 LEU HG 2 76 TYR HB2 2.100 . 6.000 3.595 3.226 4.155 . 0 0 "[ . 1 . 2]" 1
1592 1 43 THR HB 2 1 MET HA 2.800 . 3.800 4.630 4.496 4.740 0.940 1 20 [+****************-**] 1
1593 1 10 GLU HA 2 87 VAL HA 2.600 . 6.000 5.031 4.752 5.258 . 0 0 "[ . 1 . 2]" 1
1594 1 33 LEU HB2 1 70 GLU QG 3.000 . 4.100 2.403 1.811 3.769 0.089 19 0 "[ . 1 . 2]" 1
1595 1 38 PHE H 1 63 LEU HG 2.600 . 6.000 5.688 5.220 6.076 0.076 15 0 "[ . 1 . 2]" 1
1596 1 7 THR HA 1 9 LEU HG 2.200 . 6.000 4.823 4.167 5.458 . 0 0 "[ . 1 . 2]" 1
1597 1 24 ALA HA 1 32 SER QB 5.200 . 6.200 5.402 4.245 6.685 0.485 18 0 "[ . 1 . 2]" 1
1598 1 5 THR HA 2 86 GLU HB2 1.300 . 6.000 3.067 1.836 4.504 . 0 0 "[ . 1 . 2]" 1
1599 1 72 ARG HG2 1 73 PHE HB2 2.400 . 6.000 4.764 4.425 5.272 . 0 0 "[ . 1 . 2]" 1
1600 1 88 ARG H 1 88 ARG HB2 2.300 . 2.900 2.371 2.081 2.598 . 0 0 "[ . 1 . 2]" 1
1601 2 51 LYS HA 2 51 LYS QG 2.500 . 3.300 2.659 2.352 2.856 . 0 0 "[ . 1 . 2]" 1
1602 1 42 ALA HA 1 59 LYS QG 2.500 . 3.300 3.844 3.764 3.936 0.636 18 16 "[***-**** *** ** *+ *]" 1
1603 1 83 LEU HA 1 85 LYS HA 2.800 . 6.000 4.471 4.416 4.529 . 0 0 "[ . 1 . 2]" 1
1604 1 95 ILE MG 2 76 TYR QE 1.700 . 6.000 6.150 5.975 6.376 0.376 20 0 "[ . 1 . 2]" 1
1605 1 43 THR HA 1 44 GLN HB2 2.500 . 6.000 4.467 4.198 4.675 . 0 0 "[ . 1 . 2]" 1
1606 1 9 LEU HG 2 86 GLU QG 1.700 . 6.000 3.673 3.165 5.156 . 0 0 "[ . 1 . 2]" 1
1607 1 71 LEU HG 1 77 TRP HH2 1.500 . 6.000 5.250 5.082 5.441 . 0 0 "[ . 1 . 2]" 1
1608 1 43 THR HA 1 46 LEU HG 2.400 . 3.100 3.015 2.785 3.119 0.019 9 0 "[ . 1 . 2]" 1
1609 1 8 GLU HB3 1 9 LEU HG 2.400 . 6.000 3.911 3.481 4.170 . 0 0 "[ . 1 . 2]" 1
1610 2 36 ASN HA 2 36 ASN QB 2.500 . 3.300 2.379 2.325 2.445 . 0 0 "[ . 1 . 2]" 1
1611 1 85 LYS HB2 1 89 LYS QG 2.800 . 6.000 4.057 3.360 4.725 . 0 0 "[ . 1 . 2]" 1
1612 1 45 GLN HG2 1 59 LYS QG 2.600 . 6.000 3.616 2.515 4.970 . 0 0 "[ . 1 . 2]" 1
1613 1 39 LYS HA 2 1 MET QG 2.400 . 3.100 2.357 1.743 2.722 . 0 0 "[ . 1 . 2]" 1
1614 1 87 VAL HA 1 88 ARG H 2.500 . 3.300 3.026 2.954 3.097 . 0 0 "[ . 1 . 2]" 1
1615 2 71 LEU QB 2 71 LEU HG 2.400 . 3.100 2.092 2.038 2.154 . 0 0 "[ . 1 . 2]" 1
1616 1 61 LYS HA 1 61 LYS HG2 2.500 . 3.300 2.231 2.134 2.387 . 0 0 "[ . 1 . 2]" 1
1617 1 74 SER HA 1 76 TYR QD 2.700 . 3.600 3.243 2.824 3.376 . 0 0 "[ . 1 . 2]" 1
1618 1 63 LEU H 1 66 ASN QB 2.600 . 6.000 4.697 4.183 5.377 . 0 0 "[ . 1 . 2]" 1
1619 1 7 THR HA 1 8 GLU HA 2.700 . 3.600 3.816 3.778 3.866 0.266 17 0 "[ . 1 . 2]" 1
1620 2 38 PHE QD 2 41 LEU HG 2.400 . 6.000 2.779 2.141 3.099 . 0 0 "[ . 1 . 2]" 1
1621 1 13 ILE HB 1 83 LEU HG 2.900 . 4.000 3.256 2.690 3.730 . 0 0 "[ . 1 . 2]" 1
1622 1 59 LYS H 1 59 LYS HA 2.400 . 3.100 2.497 2.464 2.526 . 0 0 "[ . 1 . 2]" 1
1623 1 57 ASP H 1 59 LYS HA 1.300 . 6.000 6.057 5.785 6.245 0.245 18 0 "[ . 1 . 2]" 1
1624 1 21 PHE QB 1 22 THR MG 1.100 . 2.200 3.361 3.118 3.745 1.545 18 20 [**********-******+**] 1
1625 1 42 ALA H 1 46 LEU HG 2.500 . 6.000 5.992 5.722 6.247 0.247 20 0 "[ . 1 . 2]" 1
1626 1 6 LEU HG 1 12 ALA H 2.800 . 6.000 3.912 3.719 4.102 . 0 0 "[ . 1 . 2]" 1
1627 1 12 ALA HA 1 14 GLU HG2 2.600 . 6.000 5.380 2.839 5.978 . 0 0 "[ . 1 . 2]" 1
1628 1 22 THR HG1 1 23 PHE QD 2.800 . 6.000 4.324 2.196 4.931 . 0 0 "[ . 1 . 2]" 1
1629 1 9 LEU HG 2 20 PHE QB 2.600 . 6.000 3.411 2.969 4.117 . 0 0 "[ . 1 . 2]" 1
1630 1 22 THR HG1 1 24 ALA H 2.700 . 6.000 4.720 4.449 5.143 . 0 0 "[ . 1 . 2]" 1
1631 1 31 GLY QA 1 75 GLU HA 5.400 . 6.100 7.114 6.703 7.484 1.384 12 20 [***********+*****-**] 1
1632 1 36 ASN QB 1 38 PHE HB2 3.200 . 6.000 4.995 4.872 5.117 . 0 0 "[ . 1 . 2]" 1
1633 1 76 TYR QB 1 77 TRP HZ3 6.100 . 8.200 5.526 5.447 5.587 . 0 0 "[ . 1 . 2]" 1
1634 1 8 GLU HA 1 9 LEU H 2.500 . 3.300 2.578 2.550 2.605 . 0 0 "[ . 1 . 2]" 1
1635 1 7 THR HA 2 41 LEU HG 2.500 . 6.000 5.638 5.461 5.834 . 0 0 "[ . 1 . 2]" 1
1636 1 11 ALA HA 1 14 GLU H 2.600 . 3.500 3.013 2.956 3.079 . 0 0 "[ . 1 . 2]" 1
1637 1 5 THR MG 1 6 LEU HA 4.400 . 6.000 3.639 2.936 4.097 . 0 0 "[ . 1 . 2]" 1
1638 1 1 MET HA 2 59 LYS QG 1.800 . 6.000 3.090 2.246 3.555 . 0 0 "[ . 1 . 2]" 1
1639 1 81 GLY QA 1 84 ALA H 2.500 . 3.300 2.623 2.559 2.662 . 0 0 "[ . 1 . 2]" 1
1640 1 62 THR HG1 1 65 VAL HB 3.200 . 4.500 3.977 3.736 4.248 . 0 0 "[ . 1 . 2]" 1
1641 2 44 GLN HA 2 44 GLN HG2 2.800 . 3.800 3.009 2.465 3.840 0.040 11 0 "[ . 1 . 2]" 1
1642 1 67 GLN QG 1 68 ASP H 2.400 . 3.100 2.822 1.993 3.486 0.386 17 0 "[ . 1 . 2]" 1
1643 1 22 THR HG1 1 23 PHE QB 2.500 . 6.000 3.648 3.285 4.742 . 0 0 "[ . 1 . 2]" 1
1644 1 21 PHE QD 1 71 LEU HG 2.700 . 3.600 4.402 3.996 4.790 1.190 2 19 "[*+**********-**** **]" 1
1645 1 9 LEU HG 2 85 LYS HA 1.600 . 6.000 4.514 4.272 4.686 . 0 0 "[ . 1 . 2]" 1
1646 1 41 LEU QB 1 48 HIS QB 1.000 . 6.000 4.427 3.280 5.272 . 0 0 "[ . 1 . 2]" 1
1647 1 21 PHE QD 1 23 PHE QE 2.800 . 3.800 3.679 1.907 4.058 0.258 15 0 "[ . 1 . 2]" 1
1648 1 26 ARG HD2 1 34 ASN QB 1.800 . 6.000 5.727 3.349 6.614 0.614 4 1 "[ +. 1 . 2]" 1
1649 1 3 ALA HA 2 46 LEU H 2.300 . 6.000 4.085 3.922 4.227 . 0 0 "[ . 1 . 2]" 1
1650 1 37 GLU H 1 39 LYS H 3.000 . 4.100 3.696 3.595 3.778 . 0 0 "[ . 1 . 2]" 1
1651 2 23 PHE HA 2 23 PHE QB 2.600 . 3.500 2.170 2.115 2.457 . 0 0 "[ . 1 . 2]" 1
1652 1 32 SER QB 1 72 ARG HD2 2.200 . 6.000 3.785 3.532 4.170 . 0 0 "[ . 1 . 2]" 1
1653 1 1 MET QG 2 56 LEU HA 2.300 . 6.000 5.206 4.524 5.721 . 0 0 "[ . 1 . 2]" 1
1654 2 93 LEU HG 2 95 ILE H 2.700 . 6.000 5.287 4.990 6.028 0.028 3 0 "[ . 1 . 2]" 1
1655 2 77 TRP HA 2 80 ILE MG 2.700 . 6.000 3.688 3.177 3.813 . 0 0 "[ . 1 . 2]" 1
1656 1 13 ILE HG13 1 14 GLU HB2 1.700 . 6.000 5.603 5.392 5.747 . 0 0 "[ . 1 . 2]" 1
1657 1 5 THR MG 2 52 ASP HA 3.400 . 6.000 4.260 3.096 5.402 . 0 0 "[ . 1 . 2]" 1
1658 1 41 LEU QB 1 85 LYS HA 1.900 . 6.000 5.156 4.067 7.160 1.160 18 4 "[ * 1 -. +*2]" 1
1659 1 88 ARG HA 1 92 ALA H 2.700 . 6.000 4.109 3.951 4.233 . 0 0 "[ . 1 . 2]" 1
1660 1 76 TYR QD 2 89 LYS QG 2.400 . 6.000 5.956 5.569 6.473 0.473 2 0 "[ . 1 . 2]" 1
1661 1 59 LYS H 2 2 ALA HA 2.300 . 6.000 5.871 5.534 6.230 0.230 18 0 "[ . 1 . 2]" 1
1662 1 3 ALA HA 2 38 PHE HB2 1.500 . 6.000 4.933 4.253 5.199 . 0 0 "[ . 1 . 2]" 1
1663 1 85 LYS HA 1 88 ARG HA 2.900 . 6.000 5.249 4.800 5.974 . 0 0 "[ . 1 . 2]" 1
1664 1 39 LYS H 1 43 THR HG1 2.800 . 6.000 4.700 4.404 4.885 . 0 0 "[ . 1 . 2]" 1
1665 2 20 PHE H 2 22 THR HG1 2.500 . 6.000 5.064 3.415 5.557 . 0 0 "[ . 1 . 2]" 1
1666 1 36 ASN HA 1 38 PHE HB2 2.200 . 6.000 5.690 5.495 5.868 . 0 0 "[ . 1 . 2]" 1
1667 1 9 LEU HG 1 10 GLU HA 1.600 . 2.200 2.440 2.232 2.602 0.402 5 0 "[ . 1 . 2]" 1
1668 1 45 GLN QE 1 46 LEU H 2.800 . 3.800 3.663 3.385 3.943 0.143 13 0 "[ . 1 . 2]" 1
1669 2 21 PHE QB 2 25 GLY QA 2.700 . 3.600 3.707 3.617 3.992 0.392 17 0 "[ . 1 . 2]" 1
1670 2 57 ASP HA 2 60 MET HB2 2.600 . 3.500 2.537 2.259 3.349 . 0 0 "[ . 1 . 2]" 1
1671 1 85 LYS HA 1 86 GLU HA 2.900 . 4.000 4.086 4.016 4.182 0.182 9 0 "[ . 1 . 2]" 1
1672 1 26 ARG QB 1 36 ASN QB 2.900 . 6.000 2.767 1.924 3.397 . 0 0 "[ . 1 . 2]" 1
1673 1 57 ASP HB2 1 59 LYS QG 2.600 . 6.000 5.346 4.965 5.902 . 0 0 "[ . 1 . 2]" 1
1674 1 1 MET HA 2 41 LEU HG 3.200 . 4.500 3.544 2.908 4.035 . 0 0 "[ . 1 . 2]" 1
1675 1 47 PRO QD 2 1 MET HA 2.300 . 6.000 5.414 4.409 6.183 0.183 8 0 "[ . 1 . 2]" 1
1676 1 32 SER QB 1 72 ARG HB2 3.200 . 4.500 4.649 4.445 4.858 0.358 8 0 "[ . 1 . 2]" 1
1677 2 76 TYR HB2 2 78 ARG H 2.500 . 6.000 5.069 4.994 5.167 . 0 0 "[ . 1 . 2]" 1
1678 2 7 THR H 2 10 GLU HA 3.000 . 6.000 4.862 4.739 4.919 . 0 0 "[ . 1 . 2]" 1
1679 1 72 ARG HD2 1 73 PHE QE 4.700 . 6.600 6.470 6.133 6.719 0.119 9 0 "[ . 1 . 2]" 1
1680 1 53 VAL HA 1 59 LYS H 1.500 . 6.000 6.471 6.304 6.624 0.624 19 7 "[ **. *1-* . *+2]" 1
1681 2 20 PHE H 2 20 PHE QB 2.900 . 4.000 1.924 1.868 2.025 . 0 0 "[ . 1 . 2]" 1
1682 1 27 GLU HB2 1 29 ARG HG2 3.600 . 5.200 3.994 3.040 4.330 . 0 0 "[ . 1 . 2]" 1
1683 1 3 ALA HA 2 52 ASP QB 2.200 . 2.800 6.477 5.517 7.378 4.578 10 20 [*********+***-******] 1
1684 1 41 LEU HG 1 85 LYS QE 2.500 . 6.000 4.003 3.644 4.314 . 0 0 "[ . 1 . 2]" 1
1685 1 3 ALA HA 2 89 LYS HE3 1.500 . 6.000 5.470 4.550 6.305 0.305 5 0 "[ . 1 . 2]" 1
1686 1 60 MET HA 1 60 MET HG2 2.900 . 4.000 2.689 2.438 3.042 . 0 0 "[ . 1 . 2]" 1
1687 2 69 SER HA 2 77 TRP HD1 1.900 . 6.000 6.310 5.815 7.798 1.798 15 2 "[ . 1 + - 2]" 1
1688 1 21 PHE QD 1 23 PHE H 2.900 . 3.900 4.652 4.302 4.913 1.013 20 15 "[*- ********* ** *+]" 1
1689 2 16 VAL H 2 17 VAL H 2.700 . 3.600 2.801 2.670 2.973 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 923
_Distance_constraint_stats_list.Viol_count 962
_Distance_constraint_stats_list.Viol_total 4737.356
_Distance_constraint_stats_list.Viol_max 5.567
_Distance_constraint_stats_list.Viol_rms 0.1312
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0128
_Distance_constraint_stats_list.Viol_average_violations_only 0.2462
_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 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.032 0.032 12 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.032 0.032 12 0 "[ . 1 . 2]"
1 6 LEU 0.495 0.177 9 0 "[ . 1 . 2]"
1 7 THR 0.495 0.177 9 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PHE 0.419 0.126 13 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PHE 1.029 0.134 16 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 24.339 5.043 18 6 "[ * .* - 1 *.* + 2]"
1 26 ARG 0.353 0.316 15 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.353 0.316 15 0 "[ . 1 . 2]"
1 30 LYS 24.339 5.043 18 6 "[ * .* - 1 *.* + 2]"
1 31 GLY 8.949 0.782 12 2 "[ . 1 + . -2]"
1 32 SER 0.093 0.067 9 0 "[ . 1 . 2]"
1 33 LEU 14.739 1.066 6 8 "[ * *.+ * 1 ** * - 2]"
1 34 ASN 16.104 2.285 11 2 "[ -. 1+ . 2]"
1 35 ILE 2.164 0.278 19 0 "[ . 1 . 2]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 8.884 2.285 11 2 "[ -. 1+ . 2]"
1 38 PHE 0.394 0.126 13 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.067 0.025 18 0 "[ . 1 . 2]"
1 42 ALA 0.067 0.025 18 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.032 0.032 7 0 "[ . 1 . 2]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 HIS 0.139 0.040 17 0 "[ . 1 . 2]"
1 49 LEU 0.107 0.040 17 0 "[ . 1 . 2]"
1 50 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 1.146 0.072 17 0 "[ . 1 . 2]"
1 52 ASP 1.146 0.072 17 0 "[ . 1 . 2]"
1 53 VAL 0.479 0.089 5 0 "[ . 1 . 2]"
1 54 GLY 0.570 0.089 5 0 "[ . 1 . 2]"
1 55 SER 0.091 0.046 17 0 "[ . 1 . 2]"
1 56 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASN 14.524 1.432 16 9 "[ **** -* *+* 2]"
1 67 GLN 16.398 1.432 16 9 "[ **** -* *+* 2]"
1 68 ASP 0.999 0.204 6 0 "[ . 1 . 2]"
1 69 SER 1.548 0.278 19 0 "[ . 1 . 2]"
1 70 GLU 25.666 1.795 20 9 "[- . * ***** . *+]"
1 71 LEU 2.192 0.259 17 0 "[ . 1 . 2]"
1 72 ARG 4.434 0.291 13 0 "[ . 1 . 2]"
1 73 PHE 24.072 1.066 6 13 "[-* *.+****** * **2]"
1 74 SER 4.043 0.205 19 0 "[ . 1 . 2]"
1 75 GLU 9.663 0.782 12 2 "[ . 1 + . -2]"
1 76 TYR 11.769 1.795 20 2 "[ . 1 - . +]"
1 77 TRP 5.512 0.205 19 0 "[ . 1 . 2]"
1 78 ARG 2.622 0.243 20 0 "[ . 1 . 2]"
1 79 LEU 0.363 0.062 7 0 "[ . 1 . 2]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.725 0.132 9 0 "[ . 1 . 2]"
1 88 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LYS 0.725 0.132 9 0 "[ . 1 . 2]"
1 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LYS 0.009 0.009 20 0 "[ . 1 . 2]"
1 92 ALA 0.009 0.009 20 0 "[ . 1 . 2]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 ALA 0.032 0.032 12 0 "[ . 1 . 2]"
2 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 THR 0.032 0.032 12 0 "[ . 1 . 2]"
2 6 LEU 0.414 0.124 9 0 "[ . 1 . 2]"
2 7 THR 0.414 0.124 9 0 "[ . 1 . 2]"
2 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 PHE 0.404 0.098 13 0 "[ . 1 . 2]"
2 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 PHE 1.274 0.154 16 0 "[ . 1 . 2]"
2 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 GLY 29.767 5.567 18 6 "[ * .* - 1 *.* + 2]"
2 26 ARG 0.340 0.314 15 0 "[ . 1 . 2]"
2 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 GLY 0.340 0.314 15 0 "[ . 1 . 2]"
2 30 LYS 29.767 5.567 18 6 "[ * .* - 1 *.* + 2]"
2 31 GLY 8.722 0.776 12 2 "[ . 1 + . -2]"
2 32 SER 0.115 0.072 9 0 "[ . 1 . 2]"
2 33 LEU 14.628 1.078 6 8 "[ * *.+ * 1 ** * - 2]"
2 34 ASN 16.249 2.213 11 2 "[ -. 1+ . 2]"
2 35 ILE 2.406 0.293 19 0 "[ . 1 . 2]"
2 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 GLU 8.510 2.213 11 2 "[ -. 1+ . 2]"
2 38 PHE 0.338 0.098 13 0 "[ . 1 . 2]"
2 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 LEU 0.403 0.051 5 0 "[ . 1 . 2]"
2 42 ALA 0.403 0.051 5 0 "[ . 1 . 2]"
2 43 THR 0.175 0.045 7 0 "[ . 1 . 2]"
2 44 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 HIS 0.006 0.006 17 0 "[ . 1 . 2]"
2 49 LEU 0.006 0.006 17 0 "[ . 1 . 2]"
2 50 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 LYS 0.044 0.044 17 0 "[ . 1 . 2]"
2 52 ASP 0.044 0.044 17 0 "[ . 1 . 2]"
2 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 GLY 0.030 0.027 9 0 "[ . 1 . 2]"
2 55 SER 0.030 0.027 9 0 "[ . 1 . 2]"
2 56 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 60 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 64 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 66 ASN 14.296 1.462 16 9 "[ **** -* *+* 2]"
2 67 GLN 16.149 1.462 16 9 "[ **** -* *+* 2]"
2 68 ASP 1.297 0.251 6 0 "[ . 1 . 2]"
2 69 SER 1.740 0.293 19 0 "[ . 1 . 2]"
2 70 GLU 25.730 1.801 20 9 "[- . * ***** . *+]"
2 71 LEU 0.281 0.081 19 0 "[ . 1 . 2]"
2 72 ARG 4.325 0.263 13 0 "[ . 1 . 2]"
2 73 PHE 24.242 1.078 6 13 "[-* *.+****** * **2]"
2 74 SER 4.957 0.231 19 0 "[ . 1 . 2]"
2 75 GLU 9.653 0.776 12 2 "[ . 1 + . -2]"
2 76 TYR 11.321 1.801 20 2 "[ . 1 - . +]"
2 77 TRP 6.019 0.231 19 0 "[ . 1 . 2]"
2 78 ARG 2.749 0.260 20 0 "[ . 1 . 2]"
2 79 LEU 0.003 0.003 13 0 "[ . 1 . 2]"
2 80 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 83 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 84 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 87 VAL 0.635 0.129 9 0 "[ . 1 . 2]"
2 88 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 89 LYS 0.635 0.129 9 0 "[ . 1 . 2]"
2 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 91 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 92 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 93 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 95 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 96 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 97 LYS 0.019 0.019 12 0 "[ . 1 . 2]"
2 98 LYS 0.019 0.019 12 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 1 MET HA 1 2 ALA H 4.000 . 4.500 2.511 2.221 2.678 . 0 0 "[ . 1 . 2]" 2
2 1 1 MET QB 1 2 ALA H 4.500 . 5.500 2.139 1.890 2.789 . 0 0 "[ . 1 . 2]" 2
3 1 2 ALA HA 1 3 ALA H 4.500 . 5.000 2.271 2.127 2.394 . 0 0 "[ . 1 . 2]" 2
4 1 3 ALA HA 1 4 GLU H 4.500 . 5.000 2.266 2.167 2.364 . 0 0 "[ . 1 . 2]" 2
5 1 4 GLU HA 1 5 THR H 4.000 . 4.500 3.487 3.243 3.587 . 0 0 "[ . 1 . 2]" 2
6 1 4 GLU QB 1 5 THR H 4.500 . 5.500 1.966 1.806 2.791 . 0 0 "[ . 1 . 2]" 2
7 1 4 GLU QG 1 5 THR H 4.500 . 5.500 3.002 1.930 3.856 . 0 0 "[ . 1 . 2]" 2
8 1 3 ALA MB 1 5 THR H 4.500 . 6.000 5.388 4.733 6.032 0.032 12 0 "[ . 1 . 2]" 2
9 1 5 THR HA 1 6 LEU H 4.000 . 4.500 3.250 2.825 3.527 . 0 0 "[ . 1 . 2]" 2
10 1 6 LEU H 1 6 LEU HG 4.000 . 4.500 3.049 1.864 4.241 . 0 0 "[ . 1 . 2]" 2
11 1 6 LEU HA 1 7 THR H 4.000 . 4.500 2.206 2.061 2.396 . 0 0 "[ . 1 . 2]" 2
12 1 6 LEU QB 1 7 THR H 4.500 . 5.500 3.557 3.238 3.790 . 0 0 "[ . 1 . 2]" 2
13 1 6 LEU QD 1 7 THR H 4.500 . 5.500 4.381 4.054 4.564 . 0 0 "[ . 1 . 2]" 2
14 1 6 LEU HG 1 7 THR H 4.500 . 5.000 4.705 4.108 5.177 0.177 9 0 "[ . 1 . 2]" 2
15 1 8 GLU H 1 8 GLU QG 4.500 . 5.500 1.964 1.874 2.724 . 0 0 "[ . 1 . 2]" 2
16 1 7 THR HG1 1 8 GLU H 4.000 . 5.500 2.487 1.945 3.288 . 0 0 "[ . 1 . 2]" 2
17 1 8 GLU HA 1 9 LEU H 4.500 . 5.000 3.463 3.442 3.498 . 0 0 "[ . 1 . 2]" 2
18 1 9 LEU H 1 9 LEU HG 4.000 . 4.500 2.020 1.910 2.160 . 0 0 "[ . 1 . 2]" 2
19 1 8 GLU QB 1 9 LEU H 4.000 . 5.000 2.886 2.769 3.133 . 0 0 "[ . 1 . 2]" 2
20 1 8 GLU QG 1 9 LEU H 5.000 . 6.000 3.888 3.584 4.459 . 0 0 "[ . 1 . 2]" 2
21 1 9 LEU HA 1 10 GLU H 5.500 . 6.000 3.494 3.460 3.529 . 0 0 "[ . 1 . 2]" 2
22 1 9 LEU QB 1 10 GLU H 5.500 . 6.500 2.908 2.789 3.563 . 0 0 "[ . 1 . 2]" 2
23 1 9 LEU QD 1 10 GLU H 5.500 . 6.500 3.910 3.007 4.140 . 0 0 "[ . 1 . 2]" 2
24 1 10 GLU HA 1 11 ALA H 4.500 . 5.000 3.516 3.472 3.554 . 0 0 "[ . 1 . 2]" 2
25 1 10 GLU QB 1 11 ALA H 5.000 . 6.000 3.304 2.978 3.486 . 0 0 "[ . 1 . 2]" 2
26 1 10 GLU QG 1 11 ALA H 5.000 . 6.000 2.059 1.818 2.191 . 0 0 "[ . 1 . 2]" 2
27 1 11 ALA HA 1 12 ALA H 4.500 . 5.000 3.484 3.461 3.509 . 0 0 "[ . 1 . 2]" 2
28 1 11 ALA H 1 12 ALA H 3.500 . 4.000 2.612 2.419 2.741 . 0 0 "[ . 1 . 2]" 2
29 1 12 ALA HA 1 13 ILE H 5.000 . 5.500 3.482 3.456 3.526 . 0 0 "[ . 1 . 2]" 2
30 1 13 ILE H 1 13 ILE HB 4.000 . 4.500 2.254 2.187 2.529 . 0 0 "[ . 1 . 2]" 2
31 1 13 ILE H 1 13 ILE QG 4.000 . 5.500 2.825 2.272 3.187 . 0 0 "[ . 1 . 2]" 2
32 1 13 ILE HA 1 14 GLU H 5.000 . 5.500 3.454 3.416 3.473 . 0 0 "[ . 1 . 2]" 2
33 1 14 GLU H 1 14 GLU QG 4.500 . 5.500 2.181 2.043 2.503 . 0 0 "[ . 1 . 2]" 2
34 1 13 ILE H 1 14 GLU H 4.500 . 5.000 2.680 2.650 2.707 . 0 0 "[ . 1 . 2]" 2
35 1 14 GLU HA 1 15 THR H 4.500 . 5.000 3.548 3.518 3.574 . 0 0 "[ . 1 . 2]" 2
36 1 15 THR H 1 15 THR HB 4.000 . 4.500 2.584 2.537 2.709 . 0 0 "[ . 1 . 2]" 2
37 1 14 GLU QB 1 15 THR H 4.000 . 5.000 2.682 2.489 3.284 . 0 0 "[ . 1 . 2]" 2
38 1 14 GLU QG 1 15 THR H 4.500 . 5.500 3.971 1.862 4.178 . 0 0 "[ . 1 . 2]" 2
39 1 14 GLU H 1 15 THR H 4.000 . 4.500 2.670 2.550 2.752 . 0 0 "[ . 1 . 2]" 2
40 1 15 THR HA 1 16 VAL H 4.000 . 4.500 3.534 3.514 3.553 . 0 0 "[ . 1 . 2]" 2
41 1 13 ILE HA 1 16 VAL H 3.500 . 4.000 3.721 3.399 3.890 . 0 0 "[ . 1 . 2]" 2
42 1 16 VAL H 1 16 VAL QG 4.000 . 5.500 1.976 1.898 2.235 . 0 0 "[ . 1 . 2]" 2
43 1 15 THR HG1 1 16 VAL H 4.000 . 5.500 3.068 2.877 3.289 . 0 0 "[ . 1 . 2]" 2
44 1 15 THR HB 1 16 VAL H 4.000 . 4.500 2.120 1.931 2.278 . 0 0 "[ . 1 . 2]" 2
45 1 15 THR H 1 16 VAL H 4.000 . 4.500 2.695 2.544 2.797 . 0 0 "[ . 1 . 2]" 2
46 1 16 VAL HA 1 17 VAL H 4.500 . 5.000 3.532 3.483 3.562 . 0 0 "[ . 1 . 2]" 2
47 1 17 VAL H 1 17 VAL HB 4.000 . 4.500 2.558 2.479 2.640 . 0 0 "[ . 1 . 2]" 2
48 1 17 VAL H 1 17 VAL QG 4.000 . 5.500 2.130 2.008 2.274 . 0 0 "[ . 1 . 2]" 2
49 1 16 VAL H 1 17 VAL H 4.000 . 4.500 2.823 2.685 2.989 . 0 0 "[ . 1 . 2]" 2
50 1 16 VAL QG 1 17 VAL H 4.000 . 5.500 2.012 1.826 2.222 . 0 0 "[ . 1 . 2]" 2
51 1 16 VAL HB 1 17 VAL H 4.000 . 4.500 3.966 3.838 4.095 . 0 0 "[ . 1 . 2]" 2
52 1 17 VAL HA 1 18 SER H 4.000 . 4.500 3.523 3.490 3.544 . 0 0 "[ . 1 . 2]" 2
53 1 17 VAL H 1 18 SER H 4.000 . 4.500 2.493 2.403 2.779 . 0 0 "[ . 1 . 2]" 2
54 1 17 VAL HB 1 18 SER H 4.000 . 4.500 3.856 3.717 4.029 . 0 0 "[ . 1 . 2]" 2
55 1 17 VAL QG 1 18 SER H 4.000 . 5.500 2.003 1.841 2.174 . 0 0 "[ . 1 . 2]" 2
56 1 18 SER HA 1 19 THR H 4.000 . 4.500 3.390 3.317 3.463 . 0 0 "[ . 1 . 2]" 2
57 1 16 VAL HA 1 19 THR H 4.500 . 5.000 3.594 3.338 3.777 . 0 0 "[ . 1 . 2]" 2
58 1 19 THR H 1 19 THR HB 4.000 . 4.500 3.656 3.579 3.684 . 0 0 "[ . 1 . 2]" 2
59 1 19 THR H 1 19 THR HG1 4.000 . 5.500 1.843 1.815 1.886 . 0 0 "[ . 1 . 2]" 2
60 1 18 SER H 1 19 THR H 4.000 . 4.500 2.490 2.450 2.546 . 0 0 "[ . 1 . 2]" 2
61 1 18 SER QB 1 19 THR H 4.000 . 5.000 3.221 3.056 3.708 . 0 0 "[ . 1 . 2]" 2
62 1 17 VAL QG 1 19 THR H 5.500 . 7.000 3.874 3.766 4.056 . 0 0 "[ . 1 . 2]" 2
63 1 19 THR HA 1 20 PHE H 4.500 . 5.000 3.485 3.469 3.512 . 0 0 "[ . 1 . 2]" 2
64 1 20 PHE HA 1 20 PHE QD 4.000 . 6.000 2.517 2.088 3.084 . 0 0 "[ . 1 . 2]" 2
65 1 20 PHE HA 1 20 PHE QE 5.500 . 7.500 4.745 4.203 5.255 . 0 0 "[ . 1 . 2]" 2
66 1 19 THR HB 1 20 PHE H 4.500 . 5.000 2.576 2.220 2.875 . 0 0 "[ . 1 . 2]" 2
67 1 19 THR HG1 1 20 PHE H 5.000 . 6.500 1.937 1.866 2.079 . 0 0 "[ . 1 . 2]" 2
68 1 19 THR H 1 20 PHE H 3.500 . 4.000 3.067 2.860 3.266 . 0 0 "[ . 1 . 2]" 2
69 1 19 THR HB 1 20 PHE QD 6.000 . 8.000 5.557 4.986 5.782 . 0 0 "[ . 1 . 2]" 2
70 1 19 THR HB 1 20 PHE QE 6.500 . 8.500 7.653 7.128 7.879 . 0 0 "[ . 1 . 2]" 2
71 1 20 PHE HA 1 21 PHE H 4.500 . 5.000 3.469 3.412 3.528 . 0 0 "[ . 1 . 2]" 2
72 1 20 PHE QB 1 21 PHE H 4.000 . 5.000 2.766 2.585 3.168 . 0 0 "[ . 1 . 2]" 2
73 1 21 PHE HA 1 21 PHE QE 5.500 . 7.500 4.343 4.240 4.448 . 0 0 "[ . 1 . 2]" 2
74 1 21 PHE H 1 21 PHE QD 5.000 . 7.000 2.538 2.314 2.837 . 0 0 "[ . 1 . 2]" 2
75 1 21 PHE QD 1 23 PHE QB 6.000 . 8.000 5.271 4.460 5.915 . 0 0 "[ . 1 . 2]" 2
76 1 21 PHE QE 1 38 PHE QD 5.500 . 7.500 6.018 5.000 6.758 . 0 0 "[ . 1 . 2]" 2
77 1 21 PHE QD 1 38 PHE QE 4.500 . 6.500 6.313 5.965 6.626 0.126 13 0 "[ . 1 . 2]" 2
78 1 21 PHE QE 1 38 PHE QE 5.500 . 7.500 5.366 4.691 6.064 . 0 0 "[ . 1 . 2]" 2
79 2 21 PHE QE 2 38 PHE QD 6.500 . 7.500 6.057 5.049 6.813 . 0 0 "[ . 1 . 2]" 2
80 2 21 PHE QD 2 38 PHE QD 4.500 . 6.500 6.107 5.630 6.542 0.042 14 0 "[ . 1 . 2]" 2
81 1 21 PHE HA 1 22 THR H 4.500 . 5.000 3.370 3.198 3.436 . 0 0 "[ . 1 . 2]" 2
82 1 22 THR H 1 22 THR HB 4.000 . 4.500 3.626 3.588 3.674 . 0 0 "[ . 1 . 2]" 2
83 1 21 PHE QB 1 22 THR H 4.000 . 5.000 3.179 2.918 3.484 . 0 0 "[ . 1 . 2]" 2
84 1 21 PHE QE 1 22 THR H 6.500 . 8.500 6.367 6.111 6.467 . 0 0 "[ . 1 . 2]" 2
85 1 21 PHE HA 1 22 THR HG1 5.000 . 5.500 4.602 4.475 4.683 . 0 0 "[ . 1 . 2]" 2
86 1 22 THR HA 1 23 PHE H 4.500 . 5.000 3.407 3.242 3.466 . 0 0 "[ . 1 . 2]" 2
87 1 23 PHE HA 1 23 PHE QE 6.000 . 8.000 5.367 4.353 5.707 . 0 0 "[ . 1 . 2]" 2
88 1 22 THR HB 1 23 PHE H 4.000 . 4.500 4.152 3.994 4.373 . 0 0 "[ . 1 . 2]" 2
89 1 22 THR HG1 1 23 PHE H 4.500 . 6.000 2.711 2.359 3.213 . 0 0 "[ . 1 . 2]" 2
90 1 22 THR H 1 23 PHE H 4.000 . 4.500 2.632 2.443 2.802 . 0 0 "[ . 1 . 2]" 2
91 1 21 PHE QD 1 23 PHE QD 4.500 . 6.500 4.330 3.196 4.953 . 0 0 "[ . 1 . 2]" 2
92 1 21 PHE QD 1 23 PHE QE 5.500 . 7.500 4.823 2.125 5.887 . 0 0 "[ . 1 . 2]" 2
93 1 21 PHE QE 1 23 PHE QD 4.500 . 6.500 5.903 5.249 6.525 0.025 13 0 "[ . 1 . 2]" 2
94 1 21 PHE QE 1 23 PHE QE 5.500 . 7.500 5.720 3.613 6.921 . 0 0 "[ . 1 . 2]" 2
95 1 23 PHE QB 1 38 PHE QD 6.500 . 8.500 5.979 4.744 6.366 . 0 0 "[ . 1 . 2]" 2
96 1 23 PHE QD 1 38 PHE QD 4.500 . 6.500 4.571 4.150 4.933 . 0 0 "[ . 1 . 2]" 2
97 1 23 PHE QE 1 38 PHE QD 5.500 . 7.500 2.673 2.198 4.600 . 0 0 "[ . 1 . 2]" 2
98 1 23 PHE QD 1 38 PHE QE 4.500 . 6.500 6.104 5.749 6.486 . 0 0 "[ . 1 . 2]" 2
99 1 23 PHE QE 1 38 PHE QE 5.500 . 7.500 4.570 4.088 5.935 . 0 0 "[ . 1 . 2]" 2
100 2 23 PHE QB 2 38 PHE QD 6.500 . 8.500 5.952 4.728 6.335 . 0 0 "[ . 1 . 2]" 2
101 2 23 PHE QD 2 38 PHE QD 4.500 . 6.500 4.539 4.135 4.908 . 0 0 "[ . 1 . 2]" 2
102 2 23 PHE QE 2 38 PHE QD 5.500 . 7.500 2.648 2.187 4.617 . 0 0 "[ . 1 . 2]" 2
103 2 23 PHE QD 2 38 PHE QE 4.500 . 6.500 6.070 5.734 6.412 . 0 0 "[ . 1 . 2]" 2
104 2 23 PHE QE 2 38 PHE QE 5.500 . 7.500 4.563 4.072 5.925 . 0 0 "[ . 1 . 2]" 2
105 1 23 PHE QD 1 35 ILE MD 4.500 . 6.500 6.519 6.268 6.634 0.134 16 0 "[ . 1 . 2]" 2
106 1 23 PHE QE 1 35 ILE MD 5.500 . 7.500 5.133 4.498 7.605 0.105 13 0 "[ . 1 . 2]" 2
107 2 23 PHE QD 2 35 ILE MD 4.500 . 6.500 6.533 6.281 6.654 0.154 16 0 "[ . 1 . 2]" 2
108 2 23 PHE QE 2 35 ILE MD 5.500 . 7.500 5.139 4.501 7.600 0.100 13 0 "[ . 1 . 2]" 2
109 1 23 PHE HA 1 24 ALA H 4.500 . 5.000 3.392 3.134 3.513 . 0 0 "[ . 1 . 2]" 2
110 1 23 PHE QB 1 24 ALA H 5.000 . 6.000 3.611 2.753 4.022 . 0 0 "[ . 1 . 2]" 2
111 1 23 PHE H 1 24 ALA H 3.500 . 4.000 2.629 2.308 2.858 . 0 0 "[ . 1 . 2]" 2
112 1 20 PHE QE 1 24 ALA H 6.000 . 8.000 6.377 5.671 7.260 . 0 0 "[ . 1 . 2]" 2
113 1 24 ALA HA 1 25 GLY H 4.500 . 5.000 3.463 3.396 3.502 . 0 0 "[ . 1 . 2]" 2
114 1 25 GLY H 1 30 LYS HA 6.000 . 7.000 8.187 6.670 12.043 5.043 18 6 "[ * .* - 1 *.* + 2]" 2
115 1 24 ALA MB 1 25 GLY H 4.500 . 6.000 2.611 2.273 3.112 . 0 0 "[ . 1 . 2]" 2
116 1 23 PHE H 1 25 GLY H 4.500 . 5.000 4.457 4.065 4.679 . 0 0 "[ . 1 . 2]" 2
117 1 25 GLY QA 1 26 ARG H 4.000 . 5.000 2.796 2.724 2.841 . 0 0 "[ . 1 . 2]" 2
118 1 26 ARG H 1 26 ARG QG 4.500 . 5.500 3.393 1.979 4.039 . 0 0 "[ . 1 . 2]" 2
119 1 26 ARG H 1 26 ARG QD 5.500 . 6.500 4.354 3.737 4.732 . 0 0 "[ . 1 . 2]" 2
120 1 25 GLY H 1 26 ARG H 4.000 . 4.500 2.916 2.712 3.081 . 0 0 "[ . 1 . 2]" 2
121 1 26 ARG QG 1 34 ASN QB 5.500 . 6.500 4.794 3.551 6.178 . 0 0 "[ . 1 . 2]" 2
122 2 26 ARG QG 2 34 ASN QB 5.500 . 6.500 4.807 3.591 6.188 . 0 0 "[ . 1 . 2]" 2
123 1 26 ARG HA 1 27 GLU H 4.500 . 5.000 3.535 3.459 3.557 . 0 0 "[ . 1 . 2]" 2
124 1 27 GLU H 1 27 GLU QG 4.500 . 5.500 2.463 2.147 3.087 . 0 0 "[ . 1 . 2]" 2
125 1 26 ARG QB 1 27 GLU H 4.500 . 5.500 2.458 2.134 2.985 . 0 0 "[ . 1 . 2]" 2
126 1 25 GLY QA 1 27 GLU H 4.500 . 5.500 3.963 3.622 4.410 . 0 0 "[ . 1 . 2]" 2
127 1 26 ARG H 1 27 GLU H 3.500 . 4.000 2.882 2.679 3.080 . 0 0 "[ . 1 . 2]" 2
128 1 27 GLU HA 1 28 GLY H 4.000 . 4.500 2.211 2.117 2.677 . 0 0 "[ . 1 . 2]" 2
129 1 26 ARG HA 1 28 GLY H 6.000 . 6.500 5.872 5.495 6.816 0.316 15 0 "[ . 1 . 2]" 2
130 1 30 LYS HA 1 31 GLY H 4.000 . 4.500 2.696 2.466 3.372 . 0 0 "[ . 1 . 2]" 2
131 1 30 LYS QB 1 31 GLY H 4.500 . 5.500 3.872 3.287 4.034 . 0 0 "[ . 1 . 2]" 2
132 1 31 GLY H 1 73 PHE QD 6.000 . 8.000 4.998 4.439 5.519 . 0 0 "[ . 1 . 2]" 2
133 1 31 GLY QA 1 72 ARG QD 4.500 . 5.000 5.092 4.980 5.189 0.189 5 0 "[ . 1 . 2]" 2
134 1 31 GLY QA 1 75 GLU QB 4.500 . 5.500 5.795 5.390 6.282 0.782 12 2 "[ . 1 + . -2]" 2
135 1 31 GLY QA 1 75 GLU QG 4.500 . 5.500 5.346 5.043 5.700 0.200 3 0 "[ . 1 . 2]" 2
136 1 31 GLY QA 1 32 SER H 4.000 . 5.000 2.279 2.143 2.494 . 0 0 "[ . 1 . 2]" 2
137 1 32 SER H 1 71 LEU QD 6.000 . 7.500 4.889 3.959 5.884 . 0 0 "[ . 1 . 2]" 2
138 1 32 SER HA 1 33 LEU H 4.000 . 4.500 2.398 2.305 2.487 . 0 0 "[ . 1 . 2]" 2
139 1 32 SER QB 1 33 LEU H 4.000 . 5.000 2.271 1.920 3.107 . 0 0 "[ . 1 . 2]" 2
140 1 33 LEU H 1 33 LEU HG 4.000 . 5.000 4.300 2.216 4.475 . 0 0 "[ . 1 . 2]" 2
141 1 33 LEU H 1 33 LEU QD 4.000 . 5.000 3.224 1.861 3.919 . 0 0 "[ . 1 . 2]" 2
142 1 33 LEU H 1 72 ARG QB 4.500 . 5.500 5.619 5.497 5.791 0.291 13 0 "[ . 1 . 2]" 2
143 1 33 LEU H 1 72 ARG QG 5.000 . 6.000 3.845 3.738 3.984 . 0 0 "[ . 1 . 2]" 2
144 1 33 LEU H 1 72 ARG HA 6.000 . 6.500 6.137 5.775 6.644 0.144 13 0 "[ . 1 . 2]" 2
145 1 33 LEU H 1 71 LEU QD 6.000 . 8.000 4.011 3.643 4.617 . 0 0 "[ . 1 . 2]" 2
146 1 33 LEU HA 1 71 LEU QD 6.000 . 8.000 6.061 5.778 6.528 . 0 0 "[ . 1 . 2]" 2
147 1 33 LEU H 1 71 LEU HA 6.500 . 7.000 2.429 1.855 3.460 . 0 0 "[ . 1 . 2]" 2
148 1 33 LEU HA 1 34 ASN H 3.000 . 3.500 2.412 2.326 2.498 . 0 0 "[ . 1 . 2]" 2
149 1 33 LEU H 1 34 ASN H 5.000 . 5.500 4.554 4.424 4.604 . 0 0 "[ . 1 . 2]" 2
150 1 33 LEU QB 1 34 ASN H 4.000 . 5.000 3.314 2.506 3.495 . 0 0 "[ . 1 . 2]" 2
151 1 33 LEU HG 1 34 ASN H 4.000 . 5.000 2.205 1.919 4.532 . 0 0 "[ . 1 . 2]" 2
152 1 33 LEU QD 1 34 ASN H 5.000 . 5.000 2.778 1.827 4.059 . 0 0 "[ . 1 . 2]" 2
153 1 34 ASN HA 1 70 GLU QB 4.500 . 5.500 5.734 5.443 5.820 0.320 8 0 "[ . 1 . 2]" 2
154 1 34 ASN H 1 37 GLU QG 4.000 . 5.000 5.444 5.132 7.285 2.285 11 2 "[ -. 1+ . 2]" 2
155 1 34 ASN HA 1 35 ILE H 4.000 . 4.500 3.217 2.616 3.505 . 0 0 "[ . 1 . 2]" 2
156 1 34 ASN QB 1 35 ILE H 4.500 . 5.500 1.925 1.828 2.048 . 0 0 "[ . 1 . 2]" 2
157 1 34 ASN QD 1 35 ILE H 3.000 . 4.000 3.584 2.680 3.965 . 0 0 "[ . 1 . 2]" 2
158 1 35 ILE HB 1 36 ASN H 4.500 . 5.500 4.299 4.184 4.419 . 0 0 "[ . 1 . 2]" 2
159 1 35 ILE QG 1 36 ASN H 4.500 . 5.500 3.811 3.603 3.944 . 0 0 "[ . 1 . 2]" 2
160 1 35 ILE H 1 36 ASN H 4.000 . 4.500 2.351 2.155 2.845 . 0 0 "[ . 1 . 2]" 2
161 1 34 ASN QB 1 36 ASN H 6.500 . 7.500 3.071 2.441 3.737 . 0 0 "[ . 1 . 2]" 2
162 1 36 ASN HA 1 37 GLU H 4.500 . 5.000 3.572 3.525 3.591 . 0 0 "[ . 1 . 2]" 2
163 1 36 ASN QB 1 37 GLU H 4.000 . 5.000 2.092 1.997 2.269 . 0 0 "[ . 1 . 2]" 2
164 1 37 GLU H 1 37 GLU QG 4.500 . 5.500 2.147 1.893 2.889 . 0 0 "[ . 1 . 2]" 2
165 1 36 ASN H 1 37 GLU H 3.500 . 4.000 2.675 2.545 3.028 . 0 0 "[ . 1 . 2]" 2
166 1 37 GLU HA 1 38 PHE H 4.500 . 5.000 3.482 3.430 3.540 . 0 0 "[ . 1 . 2]" 2
167 1 38 PHE HA 1 38 PHE QD 4.000 . 6.000 3.087 2.943 3.172 . 0 0 "[ . 1 . 2]" 2
168 1 38 PHE HA 1 38 PHE QE 6.000 . 8.000 4.658 4.588 4.746 . 0 0 "[ . 1 . 2]" 2
169 1 38 PHE H 1 38 PHE QD 4.500 . 6.500 4.118 4.012 4.155 . 0 0 "[ . 1 . 2]" 2
170 1 38 PHE QD 1 42 ALA HA 5.000 . 7.000 6.264 6.052 6.430 . 0 0 "[ . 1 . 2]" 2
171 1 35 ILE HA 1 38 PHE QD 5.000 . 7.000 3.355 2.938 3.618 . 0 0 "[ . 1 . 2]" 2
172 1 38 PHE QD 1 67 GLN QG 5.500 . 7.500 6.931 6.500 7.385 . 0 0 "[ . 1 . 2]" 2
173 1 38 PHE QE 1 67 GLN QG 6.500 . 8.500 7.566 6.863 8.147 . 0 0 "[ . 1 . 2]" 2
174 1 35 ILE QG 1 38 PHE QD 5.500 . 7.500 2.660 2.076 3.214 . 0 0 "[ . 1 . 2]" 2
175 1 35 ILE QG 1 38 PHE QE 6.500 . 8.500 3.683 3.288 4.159 . 0 0 "[ . 1 . 2]" 2
176 1 35 ILE MD 1 38 PHE QD 5.500 . 7.500 5.347 4.506 5.762 . 0 0 "[ . 1 . 2]" 2
177 1 35 ILE MD 1 38 PHE QE 6.500 . 8.500 6.616 5.524 7.180 . 0 0 "[ . 1 . 2]" 2
178 1 38 PHE QD 1 65 VAL QG 5.500 . 7.500 6.747 6.379 6.928 . 0 0 "[ . 1 . 2]" 2
179 1 38 PHE QE 1 65 VAL QG 6.500 . 8.500 5.858 5.346 6.178 . 0 0 "[ . 1 . 2]" 2
180 1 35 ILE QG 1 38 PHE H 6.500 . 8.500 4.209 4.034 4.482 . 0 0 "[ . 1 . 2]" 2
181 1 38 PHE HA 1 39 LYS H 4.500 . 5.000 3.465 3.446 3.494 . 0 0 "[ . 1 . 2]" 2
182 1 38 PHE QD 1 39 LYS H 5.500 . 7.000 3.938 3.836 4.150 . 0 0 "[ . 1 . 2]" 2
183 1 38 PHE H 1 39 LYS H 4.000 . 4.500 2.626 2.506 2.813 . 0 0 "[ . 1 . 2]" 2
184 1 38 PHE QB 1 39 LYS H 4.500 . 5.500 2.774 2.661 2.851 . 0 0 "[ . 1 . 2]" 2
185 1 39 LYS QB 1 40 GLU H 4.500 . 5.500 3.061 2.959 3.107 . 0 0 "[ . 1 . 2]" 2
186 1 39 LYS QG 1 40 GLU H 4.500 . 5.500 3.968 3.898 4.104 . 0 0 "[ . 1 . 2]" 2
187 1 40 GLU HA 1 41 LEU H 4.500 . 5.000 3.344 3.283 3.390 . 0 0 "[ . 1 . 2]" 2
188 1 40 GLU QB 1 41 LEU H 5.000 . 6.000 3.678 3.146 3.857 . 0 0 "[ . 1 . 2]" 2
189 1 41 LEU H 1 41 LEU HG 5.000 . 6.000 2.669 2.255 3.088 . 0 0 "[ . 1 . 2]" 2
190 1 41 LEU HA 1 42 ALA H 5.000 . 5.500 3.530 3.510 3.547 . 0 0 "[ . 1 . 2]" 2
191 1 41 LEU QB 1 42 ALA H 4.000 . 5.000 1.814 1.775 1.848 0.025 18 0 "[ . 1 . 2]" 2
192 1 41 LEU HG 1 42 ALA H 5.000 . 6.000 4.110 4.010 4.218 . 0 0 "[ . 1 . 2]" 2
193 1 41 LEU H 1 42 ALA H 4.000 . 4.500 3.373 3.270 3.470 . 0 0 "[ . 1 . 2]" 2
194 1 43 THR H 1 43 THR HG1 4.000 . 5.500 1.911 1.874 1.999 . 0 0 "[ . 1 . 2]" 2
195 1 42 ALA MB 1 43 THR H 4.000 . 5.500 2.717 2.541 2.897 . 0 0 "[ . 1 . 2]" 2
196 1 43 THR HA 1 44 GLN H 4.500 . 5.000 3.573 3.552 3.589 . 0 0 "[ . 1 . 2]" 2
197 1 44 GLN H 1 44 GLN QG 4.500 . 5.500 2.799 2.011 3.932 . 0 0 "[ . 1 . 2]" 2
198 1 43 THR HB 1 44 GLN H 4.000 . 4.500 2.858 2.612 3.060 . 0 0 "[ . 1 . 2]" 2
199 1 43 THR HG1 1 44 GLN H 4.000 . 5.500 3.039 2.889 3.236 . 0 0 "[ . 1 . 2]" 2
200 1 43 THR H 1 44 GLN H 4.000 . 4.500 2.911 2.757 3.028 . 0 0 "[ . 1 . 2]" 2
201 1 44 GLN QB 1 45 GLN H 4.000 . 5.000 2.783 2.696 3.011 . 0 0 "[ . 1 . 2]" 2
202 1 44 GLN QG 1 45 GLN H 4.500 . 5.500 3.944 3.553 4.250 . 0 0 "[ . 1 . 2]" 2
203 1 45 GLN H 1 45 GLN QG 4.000 . 5.000 2.411 1.863 2.792 . 0 0 "[ . 1 . 2]" 2
204 1 44 GLN H 1 45 GLN H 4.000 . 4.500 2.366 2.285 2.450 . 0 0 "[ . 1 . 2]" 2
205 1 45 GLN HA 1 46 LEU H 4.500 . 5.000 3.457 3.323 3.566 . 0 0 "[ . 1 . 2]" 2
206 1 46 LEU H 1 46 LEU HG 4.000 . 5.000 3.158 2.061 3.412 . 0 0 "[ . 1 . 2]" 2
207 1 45 GLN QB 1 46 LEU H 4.000 . 5.000 3.050 2.511 3.830 . 0 0 "[ . 1 . 2]" 2
208 1 45 GLN QG 1 46 LEU H 4.000 . 5.000 3.716 2.555 4.415 . 0 0 "[ . 1 . 2]" 2
209 1 46 LEU H 1 48 HIS QB 5.000 . 6.000 5.673 5.218 6.032 0.032 7 0 "[ . 1 . 2]" 2
210 1 47 PRO HA 1 48 HIS H 4.500 . 5.000 2.306 2.246 2.425 . 0 0 "[ . 1 . 2]" 2
211 1 47 PRO QB 1 48 HIS H 4.500 . 5.500 3.816 3.781 3.888 . 0 0 "[ . 1 . 2]" 2
212 1 48 HIS HA 1 49 LEU H 4.500 . 5.000 2.785 2.563 2.971 . 0 0 "[ . 1 . 2]" 2
213 1 49 LEU H 1 49 LEU HG 4.500 . 5.500 3.513 2.413 4.683 . 0 0 "[ . 1 . 2]" 2
214 1 48 HIS QB 1 49 LEU H 4.000 . 5.000 2.112 1.815 3.233 . 0 0 "[ . 1 . 2]" 2
215 1 48 HIS H 1 49 LEU H 4.000 . 4.500 4.350 4.216 4.540 0.040 17 0 "[ . 1 . 2]" 2
216 1 49 LEU HA 1 50 LEU H 4.500 . 5.000 3.546 3.528 3.571 . 0 0 "[ . 1 . 2]" 2
217 1 50 LEU H 1 50 LEU HG 4.500 . 5.500 4.118 2.650 4.537 . 0 0 "[ . 1 . 2]" 2
218 1 49 LEU QB 1 50 LEU H 4.000 . 5.000 1.885 1.852 1.925 . 0 0 "[ . 1 . 2]" 2
219 1 49 LEU HG 1 50 LEU H 4.500 . 5.500 3.862 2.267 4.590 . 0 0 "[ . 1 . 2]" 2
220 1 49 LEU H 1 50 LEU H 4.000 . 4.500 3.013 2.736 3.160 . 0 0 "[ . 1 . 2]" 2
221 1 50 LEU HA 1 51 LYS H 4.000 . 4.500 2.740 2.572 3.115 . 0 0 "[ . 1 . 2]" 2
222 1 51 LYS H 1 51 LYS QG 4.500 . 5.500 3.977 3.853 4.063 . 0 0 "[ . 1 . 2]" 2
223 1 50 LEU QB 1 51 LYS H 4.000 . 5.000 3.949 3.658 4.042 . 0 0 "[ . 1 . 2]" 2
224 1 50 LEU HG 1 51 LYS H 4.500 . 5.500 4.551 3.655 4.811 . 0 0 "[ . 1 . 2]" 2
225 1 51 LYS H 1 51 LYS QD 5.000 . 6.000 4.557 3.555 5.043 . 0 0 "[ . 1 . 2]" 2
226 1 50 LEU H 1 51 LYS H 4.000 . 4.500 3.260 2.763 3.447 . 0 0 "[ . 1 . 2]" 2
227 1 51 LYS HA 1 52 ASP H 4.500 . 5.000 2.229 2.164 2.425 . 0 0 "[ . 1 . 2]" 2
228 1 51 LYS H 1 52 ASP H 4.000 . 4.500 4.556 4.514 4.572 0.072 17 0 "[ . 1 . 2]" 2
229 1 51 LYS QB 1 52 ASP H 4.000 . 5.000 3.307 2.917 3.516 . 0 0 "[ . 1 . 2]" 2
230 1 51 LYS QG 1 52 ASP H 4.500 . 5.500 2.054 1.777 2.366 0.023 17 0 "[ . 1 . 2]" 2
231 1 52 ASP HA 1 53 VAL H 4.500 . 5.000 3.395 3.050 3.534 . 0 0 "[ . 1 . 2]" 2
232 1 53 VAL H 1 53 VAL HB 4.000 . 4.500 3.422 3.035 3.643 . 0 0 "[ . 1 . 2]" 2
233 1 52 ASP QB 1 53 VAL H 4.000 . 5.000 3.013 2.527 3.688 . 0 0 "[ . 1 . 2]" 2
234 1 52 ASP H 1 53 VAL H 4.000 . 4.500 2.115 1.914 2.502 . 0 0 "[ . 1 . 2]" 2
235 1 53 VAL HA 1 54 GLY H 4.500 . 5.000 2.273 2.105 2.399 . 0 0 "[ . 1 . 2]" 2
236 1 53 VAL HB 1 54 GLY H 4.000 . 4.500 4.499 4.395 4.589 0.089 5 0 "[ . 1 . 2]" 2
237 1 53 VAL QG 1 54 GLY H 4.000 . 5.500 3.427 3.219 3.544 . 0 0 "[ . 1 . 2]" 2
238 1 53 VAL H 1 54 GLY H 4.000 . 4.500 2.987 2.689 3.329 . 0 0 "[ . 1 . 2]" 2
239 1 54 GLY QA 1 55 SER H 4.000 . 5.000 2.177 2.059 2.509 . 0 0 "[ . 1 . 2]" 2
240 1 54 GLY H 1 55 SER H 4.000 . 4.500 4.307 3.723 4.546 0.046 17 0 "[ . 1 . 2]" 2
241 1 56 LEU HA 1 57 ASP H 4.500 . 5.000 3.564 3.495 3.584 . 0 0 "[ . 1 . 2]" 2
242 1 56 LEU QB 1 57 ASP H 4.000 . 5.000 2.497 1.929 3.544 . 0 0 "[ . 1 . 2]" 2
243 1 56 LEU HG 1 57 ASP H 4.500 . 6.000 3.668 1.941 4.963 . 0 0 "[ . 1 . 2]" 2
244 1 56 LEU H 1 57 ASP H 4.000 . 4.500 3.073 2.793 3.424 . 0 0 "[ . 1 . 2]" 2
245 1 57 ASP HA 1 58 GLU H 4.500 . 5.000 3.531 3.485 3.562 . 0 0 "[ . 1 . 2]" 2
246 1 58 GLU H 1 58 GLU QG 4.500 . 5.500 3.413 2.273 4.045 . 0 0 "[ . 1 . 2]" 2
247 1 57 ASP QB 1 58 GLU H 4.000 . 5.000 2.815 2.144 3.231 . 0 0 "[ . 1 . 2]" 2
248 1 57 ASP H 1 58 GLU H 4.000 . 4.500 2.764 2.431 2.973 . 0 0 "[ . 1 . 2]" 2
249 1 58 GLU HA 1 59 LYS H 4.500 . 5.000 3.493 3.457 3.538 . 0 0 "[ . 1 . 2]" 2
250 1 59 LYS H 1 59 LYS QG 4.500 . 5.500 2.448 1.962 3.507 . 0 0 "[ . 1 . 2]" 2
251 1 58 GLU H 1 59 LYS H 4.000 . 4.500 2.708 2.628 2.842 . 0 0 "[ . 1 . 2]" 2
252 1 59 LYS HA 1 60 MET H 4.500 . 5.000 3.455 3.414 3.499 . 0 0 "[ . 1 . 2]" 2
253 1 60 MET H 1 60 MET QG 4.500 . 5.500 2.485 2.353 2.789 . 0 0 "[ . 1 . 2]" 2
254 1 59 LYS QG 1 60 MET H 4.500 . 5.500 4.246 3.875 4.613 . 0 0 "[ . 1 . 2]" 2
255 1 59 LYS H 1 60 MET H 4.000 . 4.500 2.553 2.457 2.664 . 0 0 "[ . 1 . 2]" 2
256 1 60 MET HA 1 61 LYS H 4.500 . 5.000 3.490 3.422 3.545 . 0 0 "[ . 1 . 2]" 2
257 1 61 LYS H 1 61 LYS QG 4.500 . 5.500 2.509 1.860 3.946 . 0 0 "[ . 1 . 2]" 2
258 1 60 MET QB 1 61 LYS H 4.000 . 5.000 2.712 2.282 3.045 . 0 0 "[ . 1 . 2]" 2
259 1 60 MET QG 1 61 LYS H 4.500 . 5.500 4.163 3.968 4.375 . 0 0 "[ . 1 . 2]" 2
260 1 61 LYS HA 1 62 THR H 4.500 . 5.000 3.535 3.491 3.566 . 0 0 "[ . 1 . 2]" 2
261 1 62 THR H 1 62 THR HB 4.000 . 4.500 2.657 2.544 2.744 . 0 0 "[ . 1 . 2]" 2
262 1 62 THR H 1 62 THR HG1 4.000 . 5.500 1.941 1.854 2.085 . 0 0 "[ . 1 . 2]" 2
263 1 61 LYS H 1 62 THR H 4.000 . 4.500 2.633 2.393 2.960 . 0 0 "[ . 1 . 2]" 2
264 1 62 THR HA 1 63 LEU H 4.500 . 5.000 3.459 3.436 3.519 . 0 0 "[ . 1 . 2]" 2
265 1 63 LEU H 1 63 LEU HG 4.500 . 5.500 3.900 2.839 4.430 . 0 0 "[ . 1 . 2]" 2
266 1 63 LEU H 1 63 LEU QD 4.500 . 6.000 2.988 1.951 3.709 . 0 0 "[ . 1 . 2]" 2
267 1 62 THR HB 1 63 LEU H 4.000 . 4.500 3.000 2.823 3.210 . 0 0 "[ . 1 . 2]" 2
268 1 62 THR H 1 63 LEU H 4.000 . 4.500 2.787 2.658 3.022 . 0 0 "[ . 1 . 2]" 2
269 1 63 LEU HA 1 64 ASP H 4.500 . 5.000 3.555 3.524 3.595 . 0 0 "[ . 1 . 2]" 2
270 1 63 LEU QB 1 64 ASP H 4.000 . 5.000 2.119 1.882 2.539 . 0 0 "[ . 1 . 2]" 2
271 1 63 LEU HG 1 64 ASP H 4.500 . 5.500 4.417 3.850 4.804 . 0 0 "[ . 1 . 2]" 2
272 1 63 LEU QD 1 64 ASP H 4.500 . 6.000 3.169 2.157 4.005 . 0 0 "[ . 1 . 2]" 2
273 1 63 LEU H 1 64 ASP H 4.000 . 4.500 3.114 2.844 3.400 . 0 0 "[ . 1 . 2]" 2
274 1 64 ASP HA 1 65 VAL H 4.500 . 5.000 3.487 3.384 3.558 . 0 0 "[ . 1 . 2]" 2
275 1 65 VAL H 1 65 VAL HB 4.000 . 5.000 2.551 2.497 2.610 . 0 0 "[ . 1 . 2]" 2
276 1 64 ASP QB 1 65 VAL H 4.000 . 5.000 2.837 2.537 3.196 . 0 0 "[ . 1 . 2]" 2
277 1 64 ASP H 1 65 VAL H 4.000 . 4.500 2.638 2.353 2.796 . 0 0 "[ . 1 . 2]" 2
278 1 65 VAL QG 1 78 ARG QG 6.500 . 7.500 6.258 5.519 7.104 . 0 0 "[ . 1 . 2]" 2
279 2 65 VAL QG 2 78 ARG QG 6.500 . 7.500 6.247 5.496 7.079 . 0 0 "[ . 1 . 2]" 2
280 1 65 VAL HA 1 66 ASN H 4.500 . 5.000 3.566 3.538 3.591 . 0 0 "[ . 1 . 2]" 2
281 1 65 VAL H 1 66 ASN H 4.000 . 4.500 2.975 2.623 3.322 . 0 0 "[ . 1 . 2]" 2
282 1 66 ASN QB 1 78 ARG QD 6.000 . 7.000 5.008 3.508 6.908 . 0 0 "[ . 1 . 2]" 2
283 1 66 ASN QB 1 78 ARG QB 5.000 . 6.000 4.692 3.142 5.686 . 0 0 "[ . 1 . 2]" 2
284 2 66 ASN QB 2 78 ARG QD 6.000 . 7.000 5.016 3.583 6.829 . 0 0 "[ . 1 . 2]" 2
285 2 66 ASN QB 2 78 ARG QB 5.000 . 6.000 4.755 3.139 5.703 . 0 0 "[ . 1 . 2]" 2
286 1 66 ASN HA 1 67 GLN H 4.500 . 5.000 2.774 2.566 2.978 . 0 0 "[ . 1 . 2]" 2
287 1 66 ASN QB 1 67 GLN H 4.000 . 5.000 3.868 3.759 3.937 . 0 0 "[ . 1 . 2]" 2
288 1 66 ASN QB 1 67 GLN QE 4.000 . 5.000 5.677 5.106 6.432 1.432 16 9 "[ **** -* *+* 2]" 2
289 1 67 GLN QB 1 78 ARG QD 6.000 . 7.000 5.134 4.375 6.015 . 0 0 "[ . 1 . 2]" 2
290 1 67 GLN QB 1 78 ARG QB 5.000 . 6.000 6.121 5.845 6.243 0.243 20 0 "[ . 1 . 2]" 2
291 2 67 GLN QB 2 78 ARG QD 6.000 . 7.000 5.125 4.354 6.072 . 0 0 "[ . 1 . 2]" 2
292 2 67 GLN QB 2 78 ARG QB 5.000 . 6.000 6.128 5.877 6.260 0.260 20 0 "[ . 1 . 2]" 2
293 1 67 GLN HA 1 68 ASP H 4.500 . 5.000 3.472 3.425 3.523 . 0 0 "[ . 1 . 2]" 2
294 1 66 ASN QB 1 68 ASP H 4.000 . 5.000 4.924 4.427 5.204 0.204 6 0 "[ . 1 . 2]" 2
295 1 68 ASP QB 1 79 LEU HG 6.000 . 8.000 6.215 5.543 7.021 . 0 0 "[ . 1 . 2]" 2
296 1 68 ASP QB 1 79 LEU QB 6.000 . 8.000 7.156 6.399 7.597 . 0 0 "[ . 1 . 2]" 2
297 2 68 ASP QB 2 79 LEU HG 6.000 . 8.000 6.254 5.584 7.082 . 0 0 "[ . 1 . 2]" 2
298 2 68 ASP QB 2 79 LEU QB 6.000 . 8.000 7.191 6.409 7.612 . 0 0 "[ . 1 . 2]" 2
299 1 68 ASP QB 1 76 TYR QD 6.000 . 8.000 6.426 5.864 7.045 . 0 0 "[ . 1 . 2]" 2
300 1 68 ASP QB 1 76 TYR QE 6.000 . 8.000 7.466 6.908 8.020 0.020 4 0 "[ . 1 . 2]" 2
301 2 68 ASP QB 2 76 TYR QD 6.000 . 8.000 6.454 5.910 7.016 . 0 0 "[ . 1 . 2]" 2
302 2 68 ASP QB 2 76 TYR QE 6.000 . 8.000 7.521 6.953 8.033 0.033 4 0 "[ . 1 . 2]" 2
303 1 68 ASP HA 1 69 SER H 4.500 . 5.000 3.035 2.786 3.222 . 0 0 "[ . 1 . 2]" 2
304 1 66 ASN HA 1 69 SER H 4.500 . 5.000 3.633 3.289 4.233 . 0 0 "[ . 1 . 2]" 2
305 1 68 ASP QB 1 69 SER H 4.000 . 5.000 3.727 3.463 3.892 . 0 0 "[ . 1 . 2]" 2
306 1 35 ILE MD 1 69 SER H 5.500 . 7.000 6.488 4.524 7.278 0.278 19 0 "[ . 1 . 2]" 2
307 1 68 ASP H 1 69 SER H 3.500 . 4.000 2.836 2.484 3.190 . 0 0 "[ . 1 . 2]" 2
308 1 69 SER QB 1 76 TYR QD 6.000 . 8.000 7.372 6.871 7.896 . 0 0 "[ . 1 . 2]" 2
309 1 69 SER QB 1 76 TYR QE 6.000 . 8.000 7.872 7.448 8.082 0.082 14 0 "[ . 1 . 2]" 2
310 2 69 SER QB 2 76 TYR QD 6.000 . 8.000 7.344 6.865 7.836 . 0 0 "[ . 1 . 2]" 2
311 2 69 SER QB 2 76 TYR QE 6.000 . 8.000 7.912 7.469 8.105 0.105 14 0 "[ . 1 . 2]" 2
312 1 70 GLU H 1 70 GLU QG 4.000 . 5.000 3.606 1.826 3.967 . 0 0 "[ . 1 . 2]" 2
313 1 33 LEU HG 1 70 GLU H 4.000 . 5.000 4.568 3.786 5.889 0.889 13 1 "[ . 1 + . 2]" 2
314 1 34 ASN HA 1 70 GLU H 4.500 . 5.000 5.108 4.783 5.295 0.295 5 0 "[ . 1 . 2]" 2
315 1 67 GLN HA 1 70 GLU H 5.500 . 6.000 5.658 4.857 6.134 0.134 1 0 "[ . 1 . 2]" 2
316 1 34 ASN QB 1 70 GLU H 6.000 . 7.000 6.575 6.419 6.742 . 0 0 "[ . 1 . 2]" 2
317 1 69 SER QB 1 70 GLU H 4.000 . 5.000 3.059 2.548 3.618 . 0 0 "[ . 1 . 2]" 2
318 1 70 GLU HA 1 71 LEU H 3.000 . 3.500 2.252 2.144 2.313 . 0 0 "[ . 1 . 2]" 2
319 1 32 SER QB 1 71 LEU H 4.500 . 5.000 4.575 4.044 5.067 0.067 9 0 "[ . 1 . 2]" 2
320 1 70 GLU H 1 71 LEU H 5.500 . 6.000 4.385 4.211 4.482 . 0 0 "[ . 1 . 2]" 2
321 1 71 LEU H 1 71 LEU HG 4.000 . 4.500 4.369 3.926 4.759 0.259 17 0 "[ . 1 . 2]" 2
322 1 70 GLU QG 1 71 LEU H 4.000 . 5.000 2.570 1.772 4.355 0.028 2 0 "[ . 1 . 2]" 2
323 1 70 GLU QB 1 71 LEU H 4.000 . 5.000 3.363 3.185 3.505 . 0 0 "[ . 1 . 2]" 2
324 1 31 GLY QA 1 71 LEU HA 4.500 . 5.500 5.373 5.091 5.591 0.091 19 0 "[ . 1 . 2]" 2
325 1 71 LEU HA 1 72 ARG H 3.000 . 3.500 2.262 2.135 2.373 . 0 0 "[ . 1 . 2]" 2
326 1 72 ARG H 1 72 ARG QG 4.000 . 5.000 2.257 2.083 2.401 . 0 0 "[ . 1 . 2]" 2
327 1 71 LEU QB 1 72 ARG H 4.000 . 5.000 2.944 1.984 3.666 . 0 0 "[ . 1 . 2]" 2
328 1 72 ARG H 1 72 ARG QD 5.000 . 6.500 2.718 2.447 2.996 . 0 0 "[ . 1 . 2]" 2
329 1 72 ARG H 1 75 GLU QG 6.000 . 7.000 5.231 4.752 5.819 . 0 0 "[ . 1 . 2]" 2
330 1 33 LEU QD 1 72 ARG H 5.000 . 7.000 5.873 3.414 7.043 0.043 13 0 "[ . 1 . 2]" 2
331 1 72 ARG HA 1 73 PHE H 4.000 . 4.500 3.456 3.306 3.550 . 0 0 "[ . 1 . 2]" 2
332 1 73 PHE H 1 73 PHE QD 5.000 . 5.500 1.903 1.791 2.698 0.009 15 0 "[ . 1 . 2]" 2
333 1 33 LEU HA 1 73 PHE QD 6.000 . 7.000 7.442 7.016 8.066 1.066 6 7 "[ * *.+ * 1 * * - 2]" 2
334 1 71 LEU HA 1 73 PHE QD 6.500 . 7.500 3.973 3.561 4.656 . 0 0 "[ . 1 . 2]" 2
335 1 33 LEU QD 1 73 PHE QD 5.000 . 7.000 6.972 5.068 7.404 0.404 13 0 "[ . 1 . 2]" 2
336 1 72 ARG QG 1 73 PHE QD 5.000 . 7.000 4.211 3.787 4.907 . 0 0 "[ . 1 . 2]" 2
337 1 72 ARG QG 1 73 PHE QE 5.000 . 7.000 5.224 4.328 5.655 . 0 0 "[ . 1 . 2]" 2
338 1 70 GLU QB 1 73 PHE QD 6.500 . 8.500 7.660 7.335 8.306 . 0 0 "[ . 1 . 2]" 2
339 1 70 GLU QB 1 73 PHE QE 5.000 . 7.000 7.433 7.122 8.011 1.011 11 7 "[- . * **+* . *2]" 2
340 1 73 PHE HA 1 73 PHE QE 5.000 . 7.000 5.679 5.607 5.727 . 0 0 "[ . 1 . 2]" 2
341 1 73 PHE QB 1 73 PHE QE 4.000 . 6.000 3.936 3.913 3.964 . 0 0 "[ . 1 . 2]" 2
342 1 72 ARG QB 1 73 PHE H 4.500 . 5.500 2.936 2.704 3.426 . 0 0 "[ . 1 . 2]" 2
343 1 72 ARG QG 1 73 PHE H 4.000 . 5.000 3.609 3.292 3.931 . 0 0 "[ . 1 . 2]" 2
344 1 72 ARG QD 1 73 PHE H 5.000 . 6.500 4.338 4.195 4.475 . 0 0 "[ . 1 . 2]" 2
345 1 72 ARG H 1 73 PHE H 5.500 . 6.000 1.934 1.860 2.046 . 0 0 "[ . 1 . 2]" 2
346 1 73 PHE H 1 75 GLU QG 5.000 . 6.000 4.873 4.229 5.317 . 0 0 "[ . 1 . 2]" 2
347 1 73 PHE QB 1 75 GLU H 5.500 . 6.500 4.230 3.757 4.539 . 0 0 "[ . 1 . 2]" 2
348 1 32 SER HA 1 73 PHE QD 6.500 . 8.500 3.568 3.199 4.526 . 0 0 "[ . 1 . 2]" 2
349 1 73 PHE QD 1 74 SER HA 6.000 . 8.000 4.637 4.118 4.860 . 0 0 "[ . 1 . 2]" 2
350 1 73 PHE QD 1 76 TYR QD 6.000 . 8.000 6.359 5.493 6.799 . 0 0 "[ . 1 . 2]" 2
351 1 73 PHE QE 1 76 TYR QD 5.500 . 7.500 7.185 6.779 7.463 . 0 0 "[ . 1 . 2]" 2
352 1 73 PHE QD 1 76 TYR QE 6.000 . 8.000 6.604 5.972 6.903 . 0 0 "[ . 1 . 2]" 2
353 1 73 PHE QE 1 76 TYR QE 5.500 . 7.500 7.706 7.508 7.898 0.398 10 0 "[ . 1 . 2]" 2
354 1 73 PHE HA 1 74 SER H 3.500 . 4.000 3.504 3.264 3.647 . 0 0 "[ . 1 . 2]" 2
355 1 74 SER H 1 75 GLU QG 5.500 . 5.500 3.652 2.933 5.228 . 0 0 "[ . 1 . 2]" 2
356 1 73 PHE H 1 74 SER H 5.500 . 6.000 3.623 3.443 3.892 . 0 0 "[ . 1 . 2]" 2
357 1 73 PHE QD 1 74 SER H 5.500 . 7.500 2.493 1.922 2.698 . 0 0 "[ . 1 . 2]" 2
358 1 73 PHE QB 1 74 SER H 4.500 . 5.500 2.453 1.843 2.939 . 0 0 "[ . 1 . 2]" 2
359 1 74 SER HA 1 75 GLU H . . 4.500 3.210 2.969 3.388 . 0 0 "[ . 1 . 2]" 2
360 1 75 GLU H 1 75 GLU QG 4.500 . 5.500 2.480 1.886 3.705 . 0 0 "[ . 1 . 2]" 2
361 1 74 SER H 1 75 GLU H 4.000 . 4.500 2.213 1.948 2.725 . 0 0 "[ . 1 . 2]" 2
362 1 75 GLU H 1 76 TYR QD 6.000 . 8.000 5.441 4.417 5.833 . 0 0 "[ . 1 . 2]" 2
363 1 70 GLU QG 1 75 GLU QG 5.500 . 6.500 6.628 6.348 6.784 0.284 6 0 "[ . 1 . 2]" 2
364 1 70 GLU QG 1 75 GLU QB 5.500 . 6.500 5.540 5.334 5.764 . 0 0 "[ . 1 . 2]" 2
365 2 70 GLU QG 2 75 GLU QG 5.500 . 6.500 6.634 6.300 6.787 0.287 8 0 "[ . 1 . 2]" 2
366 2 70 GLU QG 2 75 GLU QB 5.500 . 6.500 5.545 5.357 5.768 . 0 0 "[ . 1 . 2]" 2
367 1 75 GLU HA 1 76 TYR H 4.500 . 5.000 3.216 3.078 3.373 . 0 0 "[ . 1 . 2]" 2
368 1 76 TYR H 1 76 TYR QD 5.000 . 5.500 3.593 2.994 3.796 . 0 0 "[ . 1 . 2]" 2
369 1 76 TYR HA 1 76 TYR QE 5.000 . 7.000 3.985 3.960 4.162 . 0 0 "[ . 1 . 2]" 2
370 1 76 TYR QB 1 76 TYR QE 4.000 . 6.000 3.949 3.905 3.976 . 0 0 "[ . 1 . 2]" 2
371 1 75 GLU QB 1 76 TYR H 4.000 . 5.000 3.552 3.250 3.786 . 0 0 "[ . 1 . 2]" 2
372 1 75 GLU QG 1 76 TYR H 4.500 . 5.500 4.664 4.438 4.996 . 0 0 "[ . 1 . 2]" 2
373 1 75 GLU H 1 76 TYR H 4.000 . 4.500 2.932 2.570 3.353 . 0 0 "[ . 1 . 2]" 2
374 1 76 TYR HA 1 79 LEU H 4.000 . 4.500 3.099 2.970 3.213 . 0 0 "[ . 1 . 2]" 2
375 1 70 GLU QG 1 76 TYR QB 6.000 . 7.000 7.151 6.144 8.795 1.795 20 2 "[ . 1 - . +]" 2
376 1 76 TYR HA 1 77 TRP H 4.500 . 5.000 3.395 3.355 3.424 . 0 0 "[ . 1 . 2]" 2
377 1 77 TRP H 1 77 TRP HD1 5.500 . 6.000 4.179 3.949 4.374 . 0 0 "[ . 1 . 2]" 2
378 1 76 TYR QB 1 77 TRP H 4.000 . 5.000 3.070 2.982 3.194 . 0 0 "[ . 1 . 2]" 2
379 1 74 SER HA 1 77 TRP H 4.500 . 5.000 5.065 4.890 5.183 0.183 10 0 "[ . 1 . 2]" 2
380 1 74 SER QB 1 77 TRP H 4.000 . 5.000 5.130 5.029 5.205 0.205 19 0 "[ . 1 . 2]" 2
381 1 76 TYR H 1 77 TRP H 4.000 . 4.500 2.737 2.417 3.032 . 0 0 "[ . 1 . 2]" 2
382 1 77 TRP HD1 1 78 ARG HA 4.500 . 5.000 2.642 2.535 2.940 . 0 0 "[ . 1 . 2]" 2
383 1 77 TRP HD1 1 78 ARG QG 6.000 . 7.000 2.499 1.913 2.859 . 0 0 "[ . 1 . 2]" 2
384 1 76 TYR QB 1 77 TRP HH2 6.000 . 8.000 7.401 7.226 7.540 . 0 0 "[ . 1 . 2]" 2
385 1 75 GLU HA 1 77 TRP HZ3 6.000 . 8.000 3.906 3.570 4.297 . 0 0 "[ . 1 . 2]" 2
386 1 76 TYR QB 1 77 TRP HZ3 4.000 . 6.000 6.071 6.012 6.121 0.121 18 0 "[ . 1 . 2]" 2
387 1 75 GLU QG 1 77 TRP HZ3 5.000 . 6.500 5.267 4.664 6.220 . 0 0 "[ . 1 . 2]" 2
388 1 77 TRP HZ3 1 78 ARG QG 6.000 . 7.000 6.404 5.966 7.027 0.027 15 0 "[ . 1 . 2]" 2
389 1 76 TYR QE 1 77 TRP H 6.500 . 8.500 6.752 6.709 6.830 . 0 0 "[ . 1 . 2]" 2
390 1 77 TRP H 1 77 TRP HE3 6.000 . 8.000 3.066 2.928 3.198 . 0 0 "[ . 1 . 2]" 2
391 1 77 TRP HA 1 78 ARG H 4.500 . 5.000 3.412 3.373 3.468 . 0 0 "[ . 1 . 2]" 2
392 1 77 TRP QB 1 78 ARG H 4.000 . 5.000 3.799 3.733 3.856 . 0 0 "[ . 1 . 2]" 2
393 1 75 GLU HA 1 78 ARG QB 4.000 . 5.000 4.626 4.469 4.837 . 0 0 "[ . 1 . 2]" 2
394 1 78 ARG HA 1 79 LEU H 4.500 . 5.000 3.520 3.398 3.606 . 0 0 "[ . 1 . 2]" 2
395 1 79 LEU H 1 79 LEU HG 5.000 . 5.500 2.010 1.738 3.253 0.062 7 0 "[ . 1 . 2]" 2
396 1 78 ARG QB 1 79 LEU H 4.000 . 5.000 2.709 2.464 3.058 . 0 0 "[ . 1 . 2]" 2
397 1 78 ARG QG 1 79 LEU H 5.000 . 5.500 4.166 4.016 4.360 . 0 0 "[ . 1 . 2]" 2
398 1 79 LEU HA 1 80 ILE H 4.500 . 5.000 3.416 3.297 3.464 . 0 0 "[ . 1 . 2]" 2
399 1 80 ILE H 1 80 ILE HB 4.000 . 5.000 2.171 2.071 2.385 . 0 0 "[ . 1 . 2]" 2
400 1 80 ILE H 1 80 ILE MD 5.000 . 6.000 4.126 3.412 4.320 . 0 0 "[ . 1 . 2]" 2
401 1 79 LEU QB 1 80 ILE H 4.000 . 5.000 3.078 2.721 3.560 . 0 0 "[ . 1 . 2]" 2
402 1 79 LEU HG 1 80 ILE H 5.000 . 5.500 3.912 3.511 4.960 . 0 0 "[ . 1 . 2]" 2
403 1 79 LEU QD 1 80 ILE H 5.000 . 6.000 3.831 3.558 4.272 . 0 0 "[ . 1 . 2]" 2
404 1 79 LEU H 1 80 ILE H 4.000 . 4.500 2.556 2.370 2.711 . 0 0 "[ . 1 . 2]" 2
405 1 80 ILE HA 1 81 GLY H 4.500 . 5.000 3.564 3.550 3.575 . 0 0 "[ . 1 . 2]" 2
406 1 80 ILE H 1 81 GLY H 4.000 . 4.500 3.062 2.719 3.196 . 0 0 "[ . 1 . 2]" 2
407 1 81 GLY QA 1 82 GLU H 4.500 . 5.500 2.924 2.891 2.937 . 0 0 "[ . 1 . 2]" 2
408 1 81 GLY H 1 82 GLU H 4.000 . 4.500 2.530 2.467 2.576 . 0 0 "[ . 1 . 2]" 2
409 1 82 GLU HA 1 83 LEU H 4.500 . 5.000 3.557 3.543 3.573 . 0 0 "[ . 1 . 2]" 2
410 1 83 LEU H 1 83 LEU HG 5.000 . 5.500 3.229 2.590 3.669 . 0 0 "[ . 1 . 2]" 2
411 1 82 GLU QB 1 83 LEU H 4.000 . 5.000 2.087 1.926 2.321 . 0 0 "[ . 1 . 2]" 2
412 1 82 GLU QG 1 83 LEU H 5.000 . 6.000 3.847 3.648 4.046 . 0 0 "[ . 1 . 2]" 2
413 1 82 GLU H 1 83 LEU H 4.000 . 4.500 2.632 2.522 2.778 . 0 0 "[ . 1 . 2]" 2
414 1 83 LEU HA 1 84 ALA H 4.500 . 5.000 3.445 3.415 3.463 . 0 0 "[ . 1 . 2]" 2
415 1 83 LEU QB 1 84 ALA H 4.000 . 5.000 2.947 2.838 3.139 . 0 0 "[ . 1 . 2]" 2
416 1 83 LEU HG 1 84 ALA H 5.000 . 5.500 5.055 4.743 5.213 . 0 0 "[ . 1 . 2]" 2
417 1 83 LEU QD 1 84 ALA H 5.000 . 6.000 4.020 3.767 4.341 . 0 0 "[ . 1 . 2]" 2
418 1 83 LEU H 1 84 ALA H 4.000 . 4.500 2.739 2.679 2.805 . 0 0 "[ . 1 . 2]" 2
419 1 84 ALA HA 1 85 LYS H 4.500 . 5.000 3.525 3.480 3.566 . 0 0 "[ . 1 . 2]" 2
420 1 85 LYS H 1 85 LYS QD 5.000 . 6.000 3.319 2.149 4.433 . 0 0 "[ . 1 . 2]" 2
421 1 84 ALA MB 1 85 LYS H 5.000 . 6.500 2.735 2.637 2.842 . 0 0 "[ . 1 . 2]" 2
422 1 84 ALA H 1 85 LYS H 4.000 . 4.500 2.504 2.330 2.663 . 0 0 "[ . 1 . 2]" 2
423 1 85 LYS HA 1 86 GLU H 4.500 . 5.000 3.451 3.377 3.514 . 0 0 "[ . 1 . 2]" 2
424 1 85 LYS QD 1 86 GLU H 5.000 . 6.000 4.880 3.865 5.756 . 0 0 "[ . 1 . 2]" 2
425 1 85 LYS QB 1 86 GLU H 4.000 . 5.000 2.763 2.156 3.506 . 0 0 "[ . 1 . 2]" 2
426 1 85 LYS QG 1 86 GLU H 5.000 . 6.000 4.119 2.042 4.622 . 0 0 "[ . 1 . 2]" 2
427 1 86 GLU HA 1 87 VAL H 4.500 . 5.000 3.530 3.494 3.580 . 0 0 "[ . 1 . 2]" 2
428 1 86 GLU QB 1 87 VAL H 4.000 . 5.000 2.760 2.182 3.357 . 0 0 "[ . 1 . 2]" 2
429 1 86 GLU QG 1 87 VAL H 5.000 . 6.000 2.787 1.839 3.582 . 0 0 "[ . 1 . 2]" 2
430 1 86 GLU H 1 87 VAL H 4.000 . 4.500 2.515 2.310 2.924 . 0 0 "[ . 1 . 2]" 2
431 1 87 VAL HA 1 88 ARG H 4.500 . 5.000 3.358 3.210 3.526 . 0 0 "[ . 1 . 2]" 2
432 1 88 ARG H 1 88 ARG QD 5.000 . 6.000 4.504 4.293 4.763 . 0 0 "[ . 1 . 2]" 2
433 1 87 VAL H 1 88 ARG H 4.000 . 4.500 2.568 2.369 2.666 . 0 0 "[ . 1 . 2]" 2
434 1 88 ARG HA 1 89 LYS H 4.500 . 5.000 3.563 3.528 3.584 . 0 0 "[ . 1 . 2]" 2
435 1 89 LYS H 1 89 LYS QD 5.000 . 6.000 3.080 1.854 4.372 . 0 0 "[ . 1 . 2]" 2
436 1 88 ARG QB 1 89 LYS H 4.000 . 5.000 2.150 1.923 2.574 . 0 0 "[ . 1 . 2]" 2
437 1 88 ARG QG 1 89 LYS H 5.000 . 6.000 3.695 2.887 4.454 . 0 0 "[ . 1 . 2]" 2
438 1 88 ARG QD 1 89 LYS H 5.000 . 6.000 4.006 2.906 5.106 . 0 0 "[ . 1 . 2]" 2
439 1 88 ARG H 1 89 LYS H 4.000 . 4.500 2.894 2.542 3.339 . 0 0 "[ . 1 . 2]" 2
440 1 87 VAL HA 1 89 LYS H 4.500 . 5.000 4.829 4.305 5.132 0.132 9 0 "[ . 1 . 2]" 2
441 1 89 LYS HA 1 90 GLU H 4.500 . 5.000 3.458 3.421 3.484 . 0 0 "[ . 1 . 2]" 2
442 1 89 LYS QB 1 90 GLU H 4.000 . 5.000 3.456 3.309 3.612 . 0 0 "[ . 1 . 2]" 2
443 1 89 LYS QG 1 90 GLU H 5.000 . 6.000 2.116 1.898 2.797 . 0 0 "[ . 1 . 2]" 2
444 1 89 LYS QD 1 90 GLU H 5.000 . 6.000 3.567 2.501 4.141 . 0 0 "[ . 1 . 2]" 2
445 1 89 LYS H 1 90 GLU H 4.000 . 4.500 2.405 2.179 2.619 . 0 0 "[ . 1 . 2]" 2
446 1 90 GLU HA 1 91 LYS H 4.500 . 5.000 3.410 3.364 3.451 . 0 0 "[ . 1 . 2]" 2
447 1 91 LYS H 1 91 LYS QD 5.000 . 6.000 3.852 3.609 4.090 . 0 0 "[ . 1 . 2]" 2
448 1 90 GLU QB 1 91 LYS H 4.000 . 5.000 3.168 3.011 3.288 . 0 0 "[ . 1 . 2]" 2
449 1 90 GLU QG 1 91 LYS H 5.000 . 6.000 4.509 4.357 4.615 . 0 0 "[ . 1 . 2]" 2
450 1 90 GLU H 1 91 LYS H 4.000 . 4.500 2.670 2.613 2.814 . 0 0 "[ . 1 . 2]" 2
451 1 91 LYS HA 1 92 ALA H 4.500 . 5.000 3.520 3.502 3.540 . 0 0 "[ . 1 . 2]" 2
452 1 91 LYS QB 1 92 ALA H 4.000 . 5.000 3.263 3.208 3.355 . 0 0 "[ . 1 . 2]" 2
453 1 91 LYS QG 1 92 ALA H 5.000 . 6.000 1.876 1.791 2.085 0.009 20 0 "[ . 1 . 2]" 2
454 1 91 LYS QD 1 92 ALA H 5.000 . 6.000 3.958 3.864 4.161 . 0 0 "[ . 1 . 2]" 2
455 1 91 LYS H 1 92 ALA H 4.000 . 4.500 2.778 2.657 2.996 . 0 0 "[ . 1 . 2]" 2
456 1 92 ALA HA 1 93 LEU H 4.500 . 5.000 3.479 3.425 3.559 . 0 0 "[ . 1 . 2]" 2
457 1 93 LEU H 1 93 LEU HG 5.000 . 5.500 4.461 4.355 4.505 . 0 0 "[ . 1 . 2]" 2
458 1 92 ALA MB 1 93 LEU H 5.000 . 6.500 2.877 2.354 3.051 . 0 0 "[ . 1 . 2]" 2
459 1 93 LEU HA 1 94 GLY H 4.500 . 5.000 3.467 3.393 3.530 . 0 0 "[ . 1 . 2]" 2
460 1 93 LEU QB 1 94 GLY H 4.000 . 5.000 2.904 2.671 3.230 . 0 0 "[ . 1 . 2]" 2
461 1 93 LEU QD 1 94 GLY H 5.000 . 6.000 3.764 3.237 4.241 . 0 0 "[ . 1 . 2]" 2
462 1 94 GLY QA 1 95 ILE H 4.500 . 5.000 2.716 2.599 2.805 . 0 0 "[ . 1 . 2]" 2
463 1 95 ILE H 1 95 ILE HB 4.000 . 4.500 3.340 2.516 3.614 . 0 0 "[ . 1 . 2]" 2
464 1 94 GLY H 1 95 ILE H 4.000 . 4.500 2.851 2.717 2.965 . 0 0 "[ . 1 . 2]" 2
465 1 95 ILE HA 1 96 ARG H 4.500 . 5.000 2.487 2.330 2.601 . 0 0 "[ . 1 . 2]" 2
466 1 96 ARG H 1 96 ARG QD 5.000 . 6.000 3.560 1.905 4.335 . 0 0 "[ . 1 . 2]" 2
467 1 95 ILE HB 1 96 ARG H 4.500 . 5.000 4.367 4.161 4.640 . 0 0 "[ . 1 . 2]" 2
468 1 95 ILE QG 1 96 ARG H 4.000 . 5.500 3.694 3.446 3.966 . 0 0 "[ . 1 . 2]" 2
469 1 95 ILE H 1 96 ARG H 4.000 . 4.500 3.714 3.564 3.929 . 0 0 "[ . 1 . 2]" 2
470 1 96 ARG HA 1 97 LYS H 4.500 . 5.000 3.439 3.401 3.475 . 0 0 "[ . 1 . 2]" 2
471 1 97 LYS H 1 97 LYS QD 5.000 . 6.000 2.862 1.935 3.996 . 0 0 "[ . 1 . 2]" 2
472 1 96 ARG QB 1 97 LYS H 4.000 . 5.000 3.116 2.652 3.664 . 0 0 "[ . 1 . 2]" 2
473 1 96 ARG QG 1 97 LYS H 5.000 . 6.000 3.702 1.934 4.557 . 0 0 "[ . 1 . 2]" 2
474 1 96 ARG QD 1 97 LYS H 5.000 . 6.000 4.390 2.819 5.138 . 0 0 "[ . 1 . 2]" 2
475 1 96 ARG H 1 97 LYS H 4.000 . 4.500 2.517 2.189 2.674 . 0 0 "[ . 1 . 2]" 2
476 1 97 LYS HA 1 98 LYS H 4.500 . 5.000 2.305 2.277 2.340 . 0 0 "[ . 1 . 2]" 2
477 1 98 LYS H 1 98 LYS QD 5.000 . 6.000 4.313 3.976 4.841 . 0 0 "[ . 1 . 2]" 2
478 1 97 LYS QB 1 98 LYS H 4.000 . 5.000 3.810 3.779 3.860 . 0 0 "[ . 1 . 2]" 2
479 1 97 LYS QG 1 98 LYS H 5.000 . 6.000 4.639 4.319 4.958 . 0 0 "[ . 1 . 2]" 2
480 1 97 LYS QD 1 98 LYS H 5.000 . 6.000 5.084 4.413 5.998 . 0 0 "[ . 1 . 2]" 2
481 1 97 LYS H 1 98 LYS H 4.000 . 4.500 3.915 3.843 3.965 . 0 0 "[ . 1 . 2]" 2
482 2 1 MET HA 2 2 ALA H 4.000 . 4.500 2.514 2.224 2.678 . 0 0 "[ . 1 . 2]" 2
483 2 1 MET QB 2 2 ALA H 4.500 . 5.500 2.183 1.922 2.938 . 0 0 "[ . 1 . 2]" 2
484 2 1 MET QG 2 2 ALA H 5.500 . 6.500 3.237 2.918 3.968 . 0 0 "[ . 1 . 2]" 2
485 2 2 ALA HA 2 3 ALA H 4.500 . 5.000 2.263 2.131 2.402 . 0 0 "[ . 1 . 2]" 2
486 2 3 ALA HA 2 4 GLU H 4.500 . 5.000 2.307 2.209 2.399 . 0 0 "[ . 1 . 2]" 2
487 2 4 GLU HA 2 5 THR H 4.000 . 4.500 3.495 3.239 3.621 . 0 0 "[ . 1 . 2]" 2
488 2 4 GLU QB 2 5 THR H 4.500 . 5.500 1.983 1.815 2.848 . 0 0 "[ . 1 . 2]" 2
489 2 4 GLU QG 2 5 THR H 4.500 . 5.500 3.013 1.914 3.891 . 0 0 "[ . 1 . 2]" 2
490 2 3 ALA MB 2 5 THR H 4.500 . 6.000 5.408 4.759 6.032 0.032 12 0 "[ . 1 . 2]" 2
491 2 5 THR HA 2 6 LEU H 4.000 . 4.500 3.251 2.840 3.536 . 0 0 "[ . 1 . 2]" 2
492 2 6 LEU H 2 6 LEU HG 4.000 . 4.500 3.046 1.831 4.228 . 0 0 "[ . 1 . 2]" 2
493 2 6 LEU HA 2 7 THR H 4.000 . 4.500 2.201 2.074 2.378 . 0 0 "[ . 1 . 2]" 2
494 2 6 LEU QB 2 7 THR H 4.500 . 5.500 3.528 3.235 3.780 . 0 0 "[ . 1 . 2]" 2
495 2 6 LEU QD 2 7 THR H 4.500 . 5.500 4.364 4.025 4.553 . 0 0 "[ . 1 . 2]" 2
496 2 6 LEU HG 2 7 THR H 4.500 . 5.000 4.682 4.053 5.124 0.124 9 0 "[ . 1 . 2]" 2
497 2 7 THR HA 2 8 GLU H 4.000 . 4.500 2.510 2.370 2.899 . 0 0 "[ . 1 . 2]" 2
498 2 8 GLU H 2 8 GLU QG 4.500 . 5.500 1.950 1.839 2.720 . 0 0 "[ . 1 . 2]" 2
499 2 7 THR HG1 2 8 GLU H 4.000 . 5.500 2.573 2.049 3.322 . 0 0 "[ . 1 . 2]" 2
500 2 7 THR HB 2 8 GLU H 4.000 . 4.500 2.556 2.149 2.797 . 0 0 "[ . 1 . 2]" 2
501 2 8 GLU HA 2 9 LEU H 4.500 . 5.000 3.457 3.434 3.481 . 0 0 "[ . 1 . 2]" 2
502 2 9 LEU H 2 9 LEU HG 4.000 . 4.500 2.017 1.884 2.168 . 0 0 "[ . 1 . 2]" 2
503 2 8 GLU QB 2 9 LEU H 4.000 . 5.000 2.808 2.778 2.832 . 0 0 "[ . 1 . 2]" 2
504 2 8 GLU QG 2 9 LEU H 5.000 . 6.000 3.857 3.462 4.444 . 0 0 "[ . 1 . 2]" 2
505 2 7 THR HB 2 9 LEU H 4.500 . 5.000 2.415 2.216 2.790 . 0 0 "[ . 1 . 2]" 2
506 2 8 GLU H 2 9 LEU H 4.000 . 4.500 2.844 2.298 2.938 . 0 0 "[ . 1 . 2]" 2
507 2 9 LEU HA 2 10 GLU H 5.500 . 6.000 3.488 3.453 3.533 . 0 0 "[ . 1 . 2]" 2
508 2 9 LEU QB 2 10 GLU H 5.500 . 6.500 2.957 2.853 3.537 . 0 0 "[ . 1 . 2]" 2
509 2 9 LEU QD 2 10 GLU H 5.500 . 6.500 3.914 2.995 4.146 . 0 0 "[ . 1 . 2]" 2
510 2 9 LEU H 2 10 GLU H 4.000 . 4.500 2.812 2.752 2.857 . 0 0 "[ . 1 . 2]" 2
511 2 10 GLU HA 2 11 ALA H 4.500 . 5.000 3.512 3.465 3.548 . 0 0 "[ . 1 . 2]" 2
512 2 10 GLU QB 2 11 ALA H 5.000 . 6.000 3.335 3.097 3.521 . 0 0 "[ . 1 . 2]" 2
513 2 10 GLU QG 2 11 ALA H 5.000 . 6.000 2.100 1.878 2.346 . 0 0 "[ . 1 . 2]" 2
514 2 10 GLU H 2 11 ALA H 4.000 . 4.500 2.710 2.625 2.879 . 0 0 "[ . 1 . 2]" 2
515 2 11 ALA HA 2 12 ALA H 4.500 . 5.000 3.479 3.459 3.500 . 0 0 "[ . 1 . 2]" 2
516 2 12 ALA HA 2 13 ILE H 5.000 . 5.500 3.483 3.461 3.526 . 0 0 "[ . 1 . 2]" 2
517 2 13 ILE H 2 13 ILE HB 4.000 . 4.500 2.254 2.188 2.504 . 0 0 "[ . 1 . 2]" 2
518 2 13 ILE H 2 13 ILE QG 4.000 . 5.500 2.828 2.314 3.188 . 0 0 "[ . 1 . 2]" 2
519 2 13 ILE HA 2 14 GLU H 5.000 . 5.500 3.452 3.417 3.468 . 0 0 "[ . 1 . 2]" 2
520 2 14 GLU H 2 14 GLU QG 4.500 . 5.500 2.187 2.051 2.500 . 0 0 "[ . 1 . 2]" 2
521 2 13 ILE H 2 14 GLU H 4.500 . 5.000 2.677 2.647 2.704 . 0 0 "[ . 1 . 2]" 2
522 2 14 GLU HA 2 15 THR H 4.500 . 5.000 3.559 3.531 3.586 . 0 0 "[ . 1 . 2]" 2
523 2 14 GLU QB 2 15 THR H 4.000 . 5.000 2.706 2.550 3.329 . 0 0 "[ . 1 . 2]" 2
524 2 14 GLU QG 2 15 THR H 4.500 . 5.500 4.004 1.930 4.214 . 0 0 "[ . 1 . 2]" 2
525 2 14 GLU H 2 15 THR H 4.000 . 4.500 2.699 2.586 2.783 . 0 0 "[ . 1 . 2]" 2
526 2 13 ILE HA 2 16 VAL H 3.500 . 4.000 3.712 3.427 3.870 . 0 0 "[ . 1 . 2]" 2
527 2 16 VAL H 2 16 VAL HB 4.000 . 4.500 2.489 2.352 2.562 . 0 0 "[ . 1 . 2]" 2
528 2 16 VAL H 2 16 VAL QG 4.000 . 5.500 1.964 1.898 2.219 . 0 0 "[ . 1 . 2]" 2
529 2 15 THR HG1 2 16 VAL H 4.000 . 5.500 3.059 2.892 3.263 . 0 0 "[ . 1 . 2]" 2
530 2 15 THR HB 2 16 VAL H 4.000 . 4.500 2.143 1.939 2.300 . 0 0 "[ . 1 . 2]" 2
531 2 16 VAL HA 2 17 VAL H 4.500 . 5.000 3.531 3.480 3.562 . 0 0 "[ . 1 . 2]" 2
532 2 17 VAL H 2 17 VAL QG 4.000 . 5.500 2.131 2.015 2.272 . 0 0 "[ . 1 . 2]" 2
533 2 16 VAL QG 2 17 VAL H 4.000 . 5.500 2.018 1.827 2.241 . 0 0 "[ . 1 . 2]" 2
534 2 16 VAL HB 2 17 VAL H 4.000 . 4.500 3.966 3.840 4.096 . 0 0 "[ . 1 . 2]" 2
535 2 17 VAL HA 2 18 SER H 4.000 . 4.500 3.514 3.485 3.541 . 0 0 "[ . 1 . 2]" 2
536 2 17 VAL H 2 18 SER H 4.000 . 4.500 2.481 2.385 2.771 . 0 0 "[ . 1 . 2]" 2
537 2 17 VAL HB 2 18 SER H 4.000 . 4.500 3.850 3.718 4.032 . 0 0 "[ . 1 . 2]" 2
538 2 17 VAL QG 2 18 SER H 4.000 . 5.500 2.002 1.846 2.173 . 0 0 "[ . 1 . 2]" 2
539 2 18 SER HA 2 19 THR H 4.000 . 4.500 3.406 3.332 3.477 . 0 0 "[ . 1 . 2]" 2
540 2 16 VAL HA 2 19 THR H 4.500 . 5.000 3.513 3.251 3.683 . 0 0 "[ . 1 . 2]" 2
541 2 19 THR H 2 19 THR HB 4.000 . 4.500 3.665 3.589 3.691 . 0 0 "[ . 1 . 2]" 2
542 2 19 THR H 2 19 THR HG1 4.000 . 5.500 1.864 1.839 1.915 . 0 0 "[ . 1 . 2]" 2
543 2 18 SER H 2 19 THR H 4.000 . 4.500 2.480 2.447 2.541 . 0 0 "[ . 1 . 2]" 2
544 2 18 SER QB 2 19 THR H 4.000 . 5.000 3.202 3.042 3.699 . 0 0 "[ . 1 . 2]" 2
545 2 17 VAL QG 2 19 THR H 5.500 . 7.000 3.878 3.775 4.050 . 0 0 "[ . 1 . 2]" 2
546 2 20 PHE HA 2 20 PHE QD 4.000 . 6.000 2.531 2.071 3.105 . 0 0 "[ . 1 . 2]" 2
547 2 20 PHE HA 2 20 PHE QE 5.500 . 7.500 4.758 4.223 5.275 . 0 0 "[ . 1 . 2]" 2
548 2 19 THR HG1 2 20 PHE H 5.000 . 6.500 1.918 1.887 1.958 . 0 0 "[ . 1 . 2]" 2
549 2 19 THR H 2 20 PHE H 3.500 . 4.000 3.161 3.018 3.285 . 0 0 "[ . 1 . 2]" 2
550 2 19 THR HB 2 20 PHE QD 6.000 . 8.000 5.580 5.034 5.782 . 0 0 "[ . 1 . 2]" 2
551 2 19 THR HB 2 20 PHE QE 6.500 . 8.500 7.682 7.182 7.884 . 0 0 "[ . 1 . 2]" 2
552 2 20 PHE HA 2 21 PHE H 4.500 . 5.000 3.477 3.402 3.549 . 0 0 "[ . 1 . 2]" 2
553 2 20 PHE QB 2 21 PHE H 4.000 . 5.000 2.762 2.473 3.192 . 0 0 "[ . 1 . 2]" 2
554 2 21 PHE HA 2 21 PHE QD 4.000 . 6.000 2.072 1.929 2.191 . 0 0 "[ . 1 . 2]" 2
555 2 21 PHE HA 2 21 PHE QE 5.500 . 7.500 4.359 4.254 4.454 . 0 0 "[ . 1 . 2]" 2
556 2 21 PHE H 2 21 PHE QD 5.000 . 7.000 2.513 2.162 2.872 . 0 0 "[ . 1 . 2]" 2
557 2 21 PHE QD 2 23 PHE QB 6.000 . 8.000 5.164 4.492 5.830 . 0 0 "[ . 1 . 2]" 2
558 2 21 PHE QD 2 38 PHE QE 4.500 . 6.500 6.275 5.952 6.598 0.098 13 0 "[ . 1 . 2]" 2
559 2 21 PHE QE 2 38 PHE QE 5.500 . 7.500 5.378 4.670 6.099 . 0 0 "[ . 1 . 2]" 2
560 1 21 PHE QD 1 38 PHE QD 4.500 . 6.500 6.121 5.667 6.516 0.016 20 0 "[ . 1 . 2]" 2
561 2 21 PHE QB 2 22 THR H 4.000 . 5.000 3.215 2.951 3.521 . 0 0 "[ . 1 . 2]" 2
562 2 21 PHE H 2 22 THR H 3.500 . 4.000 2.708 2.521 2.867 . 0 0 "[ . 1 . 2]" 2
563 2 21 PHE QE 2 22 THR H 6.500 . 8.500 6.399 6.165 6.513 . 0 0 "[ . 1 . 2]" 2
564 2 21 PHE HA 2 22 THR HG1 5.000 . 5.500 4.465 4.325 4.563 . 0 0 "[ . 1 . 2]" 2
565 2 22 THR HA 2 23 PHE H 4.500 . 5.000 3.389 3.214 3.469 . 0 0 "[ . 1 . 2]" 2
566 2 23 PHE HA 2 23 PHE QE 6.000 . 8.000 5.346 4.308 5.705 . 0 0 "[ . 1 . 2]" 2
567 2 22 THR HB 2 23 PHE H 4.000 . 4.500 4.118 3.952 4.341 . 0 0 "[ . 1 . 2]" 2
568 2 22 THR HG1 2 23 PHE H 4.500 . 6.000 2.459 2.051 3.028 . 0 0 "[ . 1 . 2]" 2
569 2 22 THR H 2 23 PHE H 4.000 . 4.500 2.615 2.439 2.847 . 0 0 "[ . 1 . 2]" 2
570 2 21 PHE QD 2 23 PHE QD 4.500 . 6.500 4.365 3.264 5.010 . 0 0 "[ . 1 . 2]" 2
571 2 21 PHE QD 2 23 PHE QE 5.500 . 7.500 4.903 2.163 5.879 . 0 0 "[ . 1 . 2]" 2
572 2 21 PHE QE 2 23 PHE QD 4.500 . 6.500 5.945 5.323 6.566 0.066 13 0 "[ . 1 . 2]" 2
573 2 21 PHE QE 2 23 PHE QE 5.500 . 7.500 5.829 3.699 6.971 . 0 0 "[ . 1 . 2]" 2
574 2 23 PHE HA 2 24 ALA H 4.500 . 5.000 3.406 3.136 3.520 . 0 0 "[ . 1 . 2]" 2
575 2 23 PHE QB 2 24 ALA H 5.000 . 6.000 3.534 2.702 4.002 . 0 0 "[ . 1 . 2]" 2
576 2 23 PHE H 2 24 ALA H 3.500 . 4.000 2.646 2.327 2.887 . 0 0 "[ . 1 . 2]" 2
577 2 20 PHE QE 2 24 ALA H 6.000 . 8.000 6.381 5.660 7.316 . 0 0 "[ . 1 . 2]" 2
578 2 24 ALA HA 2 25 GLY H 4.500 . 5.000 3.499 3.413 3.547 . 0 0 "[ . 1 . 2]" 2
579 2 24 ALA H 2 25 GLY H 3.500 . 4.000 2.836 2.552 3.022 . 0 0 "[ . 1 . 2]" 2
580 2 25 GLY H 2 30 LYS HA 6.000 . 6.500 7.988 6.569 12.067 5.567 18 6 "[ * .* - 1 *.* + 2]" 2
581 2 24 ALA MB 2 25 GLY H 4.500 . 6.000 2.552 2.157 3.169 . 0 0 "[ . 1 . 2]" 2
582 2 23 PHE H 2 25 GLY H 4.500 . 5.000 4.593 3.978 4.930 . 0 0 "[ . 1 . 2]" 2
583 2 25 GLY QA 2 26 ARG H 4.000 . 5.000 2.826 2.724 2.892 . 0 0 "[ . 1 . 2]" 2
584 2 26 ARG H 2 26 ARG QG 4.500 . 5.500 3.419 2.005 4.043 . 0 0 "[ . 1 . 2]" 2
585 2 26 ARG H 2 26 ARG QD 5.500 . 6.500 4.378 3.718 4.754 . 0 0 "[ . 1 . 2]" 2
586 2 25 GLY H 2 26 ARG H 4.000 . 4.500 2.962 2.702 3.161 . 0 0 "[ . 1 . 2]" 2
587 2 26 ARG HA 2 27 GLU H 4.500 . 5.000 3.520 3.460 3.552 . 0 0 "[ . 1 . 2]" 2
588 2 27 GLU H 2 27 GLU QG 4.500 . 5.500 2.382 2.111 2.959 . 0 0 "[ . 1 . 2]" 2
589 2 26 ARG QB 2 27 GLU H 4.500 . 5.500 2.338 1.999 2.816 . 0 0 "[ . 1 . 2]" 2
590 2 25 GLY QA 2 27 GLU H 4.500 . 5.500 4.002 3.607 4.467 . 0 0 "[ . 1 . 2]" 2
591 2 26 ARG H 2 27 GLU H 3.500 . 4.000 2.889 2.659 3.099 . 0 0 "[ . 1 . 2]" 2
592 2 27 GLU HA 2 28 GLY H 4.000 . 4.500 2.211 2.116 2.667 . 0 0 "[ . 1 . 2]" 2
593 2 26 ARG HA 2 28 GLY H 6.000 . 6.500 5.871 5.474 6.814 0.314 15 0 "[ . 1 . 2]" 2
594 2 30 LYS HA 2 31 GLY H 4.000 . 4.500 2.700 2.486 3.371 . 0 0 "[ . 1 . 2]" 2
595 2 30 LYS QB 2 31 GLY H 4.500 . 5.500 3.864 3.288 4.021 . 0 0 "[ . 1 . 2]" 2
596 2 31 GLY H 2 73 PHE QD 6.000 . 8.000 4.976 4.455 5.544 . 0 0 "[ . 1 . 2]" 2
597 2 31 GLY QA 2 72 ARG QD 4.500 . 5.000 5.088 4.984 5.198 0.198 5 0 "[ . 1 . 2]" 2
598 2 31 GLY QA 2 75 GLU QB 4.500 . 5.500 5.787 5.369 6.276 0.776 12 2 "[ . 1 + . -2]" 2
599 2 31 GLY QA 2 75 GLU QG 4.500 . 5.500 5.348 5.066 5.695 0.195 3 0 "[ . 1 . 2]" 2
600 2 31 GLY QA 2 32 SER H 4.000 . 5.000 2.277 2.142 2.491 . 0 0 "[ . 1 . 2]" 2
601 2 31 GLY H 2 32 SER H 4.000 . 4.500 3.015 2.481 3.476 . 0 0 "[ . 1 . 2]" 2
602 2 32 SER H 2 71 LEU QD 6.000 . 7.500 4.877 3.976 5.858 . 0 0 "[ . 1 . 2]" 2
603 2 32 SER QB 2 33 LEU H 4.000 . 5.000 2.276 1.913 3.117 . 0 0 "[ . 1 . 2]" 2
604 2 33 LEU H 2 33 LEU HG 4.000 . 5.000 4.294 2.216 4.480 . 0 0 "[ . 1 . 2]" 2
605 2 33 LEU H 2 33 LEU QD 4.000 . 5.000 3.223 1.852 3.888 . 0 0 "[ . 1 . 2]" 2
606 2 33 LEU H 2 72 ARG QB 4.500 . 5.500 5.614 5.442 5.763 0.263 13 0 "[ . 1 . 2]" 2
607 2 33 LEU H 2 72 ARG QG 5.000 . 6.000 3.858 3.757 3.976 . 0 0 "[ . 1 . 2]" 2
608 2 33 LEU H 2 72 ARG HA 6.000 . 6.500 6.134 5.780 6.648 0.148 13 0 "[ . 1 . 2]" 2
609 2 33 LEU H 2 71 LEU QD 6.000 . 8.000 4.007 3.648 4.587 . 0 0 "[ . 1 . 2]" 2
610 2 33 LEU HA 2 71 LEU QD 6.000 . 8.000 6.059 5.789 6.499 . 0 0 "[ . 1 . 2]" 2
611 2 33 LEU H 2 71 LEU H 5.000 . 5.500 4.270 3.915 5.049 . 0 0 "[ . 1 . 2]" 2
612 2 33 LEU H 2 71 LEU HA 6.500 . 7.000 2.436 1.875 3.494 . 0 0 "[ . 1 . 2]" 2
613 2 33 LEU HA 2 34 ASN H 3.000 . 3.500 2.428 2.363 2.508 . 0 0 "[ . 1 . 2]" 2
614 2 33 LEU H 2 34 ASN H 5.000 . 5.500 4.569 4.435 4.634 . 0 0 "[ . 1 . 2]" 2
615 2 33 LEU QB 2 34 ASN H 4.000 . 5.000 3.344 2.499 3.546 . 0 0 "[ . 1 . 2]" 2
616 2 33 LEU HG 2 34 ASN H 4.000 . 5.000 2.242 1.933 4.522 . 0 0 "[ . 1 . 2]" 2
617 2 33 LEU QD 2 34 ASN H 5.000 . 5.000 2.802 1.833 4.053 . 0 0 "[ . 1 . 2]" 2
618 2 34 ASN HA 2 70 GLU QB 4.500 . 5.500 5.747 5.490 5.837 0.337 8 0 "[ . 1 . 2]" 2
619 2 34 ASN H 2 37 GLU QG 4.000 . 5.000 5.426 5.112 7.213 2.213 11 2 "[ -. 1+ . 2]" 2
620 2 34 ASN QB 2 35 ILE H 4.500 . 5.500 1.888 1.739 1.945 0.061 14 0 "[ . 1 . 2]" 2
621 2 34 ASN QD 2 35 ILE H 3.000 . 4.000 3.561 2.681 3.937 . 0 0 "[ . 1 . 2]" 2
622 2 35 ILE HA 2 36 ASN H 4.000 . 4.500 2.904 2.818 3.137 . 0 0 "[ . 1 . 2]" 2
623 2 35 ILE HB 2 36 ASN H 4.500 . 5.500 4.298 4.163 4.422 . 0 0 "[ . 1 . 2]" 2
624 2 35 ILE QG 2 36 ASN H 4.500 . 5.500 3.805 3.604 3.948 . 0 0 "[ . 1 . 2]" 2
625 2 34 ASN QB 2 36 ASN H 6.500 . 7.500 3.040 2.477 3.663 . 0 0 "[ . 1 . 2]" 2
626 2 36 ASN HA 2 37 GLU H 4.500 . 5.000 3.592 3.551 3.620 . 0 0 "[ . 1 . 2]" 2
627 2 36 ASN QB 2 37 GLU H 4.000 . 5.000 2.077 1.948 2.206 . 0 0 "[ . 1 . 2]" 2
628 2 37 GLU H 2 37 GLU QG 4.500 . 5.500 2.112 1.882 2.833 . 0 0 "[ . 1 . 2]" 2
629 2 36 ASN H 2 37 GLU H 3.500 . 4.000 2.739 2.660 3.108 . 0 0 "[ . 1 . 2]" 2
630 2 37 GLU HA 2 38 PHE H 4.500 . 5.000 3.464 3.402 3.546 . 0 0 "[ . 1 . 2]" 2
631 2 37 GLU H 2 38 PHE H 3.500 . 4.000 2.573 2.521 2.690 . 0 0 "[ . 1 . 2]" 2
632 2 38 PHE HA 2 38 PHE QD 4.000 . 6.000 3.083 2.925 3.158 . 0 0 "[ . 1 . 2]" 2
633 2 38 PHE HA 2 38 PHE QE 6.000 . 8.000 4.649 4.564 4.725 . 0 0 "[ . 1 . 2]" 2
634 2 38 PHE H 2 38 PHE QD 4.500 . 6.500 4.123 4.006 4.172 . 0 0 "[ . 1 . 2]" 2
635 2 38 PHE QD 2 42 ALA HA 5.000 . 7.000 6.281 6.073 6.431 . 0 0 "[ . 1 . 2]" 2
636 2 35 ILE HA 2 38 PHE QD 5.000 . 7.000 3.307 2.892 3.586 . 0 0 "[ . 1 . 2]" 2
637 2 38 PHE QD 2 67 GLN QG 5.500 . 7.500 6.977 6.583 7.394 . 0 0 "[ . 1 . 2]" 2
638 2 38 PHE QE 2 67 GLN QG 6.500 . 8.500 7.630 7.056 8.155 . 0 0 "[ . 1 . 2]" 2
639 2 35 ILE QG 2 38 PHE QD 5.500 . 7.500 2.666 2.059 3.238 . 0 0 "[ . 1 . 2]" 2
640 2 35 ILE QG 2 38 PHE QE 6.500 . 8.500 3.686 3.298 4.175 . 0 0 "[ . 1 . 2]" 2
641 2 35 ILE MD 2 38 PHE QD 5.500 . 7.500 5.341 4.547 5.743 . 0 0 "[ . 1 . 2]" 2
642 2 35 ILE MD 2 38 PHE QE 6.500 . 8.500 6.616 5.559 7.168 . 0 0 "[ . 1 . 2]" 2
643 2 38 PHE QD 2 65 VAL QG 5.500 . 7.500 6.767 6.400 6.936 . 0 0 "[ . 1 . 2]" 2
644 2 38 PHE QE 2 65 VAL QG 6.500 . 8.500 5.884 5.368 6.219 . 0 0 "[ . 1 . 2]" 2
645 2 35 ILE QG 2 38 PHE H 6.500 . 8.500 4.238 4.035 4.568 . 0 0 "[ . 1 . 2]" 2
646 2 34 ASN H 2 38 PHE H 6.500 . 7.000 5.403 5.137 5.846 . 0 0 "[ . 1 . 2]" 2
647 2 38 PHE HA 2 39 LYS H 4.500 . 5.000 3.473 3.449 3.497 . 0 0 "[ . 1 . 2]" 2
648 2 39 LYS H 2 39 LYS QG 4.500 . 5.500 1.969 1.885 2.131 . 0 0 "[ . 1 . 2]" 2
649 2 38 PHE QD 2 39 LYS H 5.500 . 7.000 3.906 3.801 4.127 . 0 0 "[ . 1 . 2]" 2
650 2 38 PHE H 2 39 LYS H 4.000 . 4.500 2.623 2.498 2.835 . 0 0 "[ . 1 . 2]" 2
651 2 38 PHE QB 2 39 LYS H 4.500 . 5.500 2.707 2.597 2.781 . 0 0 "[ . 1 . 2]" 2
652 2 39 LYS HA 2 40 GLU H 4.500 . 5.000 3.380 3.349 3.421 . 0 0 "[ . 1 . 2]" 2
653 2 40 GLU H 2 40 GLU QG 4.000 . 5.000 2.520 1.933 2.732 . 0 0 "[ . 1 . 2]" 2
654 2 39 LYS QB 2 40 GLU H 4.500 . 5.500 3.040 2.920 3.126 . 0 0 "[ . 1 . 2]" 2
655 2 39 LYS QG 2 40 GLU H 4.500 . 5.500 3.999 3.879 4.191 . 0 0 "[ . 1 . 2]" 2
656 2 39 LYS H 2 40 GLU H 4.000 . 4.500 2.656 2.586 2.747 . 0 0 "[ . 1 . 2]" 2
657 2 40 GLU HA 2 41 LEU H 4.500 . 5.000 3.307 3.274 3.348 . 0 0 "[ . 1 . 2]" 2
658 2 40 GLU QB 2 41 LEU H 5.000 . 6.000 3.786 3.344 3.923 . 0 0 "[ . 1 . 2]" 2
659 2 40 GLU QG 2 41 LEU H 4.000 . 5.000 3.353 2.940 4.266 . 0 0 "[ . 1 . 2]" 2
660 2 41 LEU H 2 41 LEU HG 5.000 . 6.000 2.728 2.441 3.066 . 0 0 "[ . 1 . 2]" 2
661 2 40 GLU H 2 41 LEU H 4.000 . 4.500 2.522 2.469 2.579 . 0 0 "[ . 1 . 2]" 2
662 2 41 LEU HA 2 42 ALA H 5.000 . 5.500 3.518 3.487 3.538 . 0 0 "[ . 1 . 2]" 2
663 2 41 LEU QB 2 42 ALA H 4.000 . 5.000 1.784 1.749 1.830 0.051 5 0 "[ . 1 . 2]" 2
664 2 41 LEU HG 2 42 ALA H 5.000 . 6.000 4.033 3.939 4.130 . 0 0 "[ . 1 . 2]" 2
665 2 42 ALA HA 2 43 THR H 4.500 . 5.000 3.459 3.415 3.492 . 0 0 "[ . 1 . 2]" 2
666 2 43 THR H 2 43 THR HB 4.000 . 4.500 3.550 3.502 3.589 . 0 0 "[ . 1 . 2]" 2
667 2 43 THR H 2 43 THR HG1 4.000 . 5.500 1.813 1.755 1.892 0.045 7 0 "[ . 1 . 2]" 2
668 2 42 ALA MB 2 43 THR H 4.000 . 5.500 2.647 2.385 2.888 . 0 0 "[ . 1 . 2]" 2
669 2 42 ALA H 2 43 THR H 4.000 . 4.500 2.823 2.753 2.893 . 0 0 "[ . 1 . 2]" 2
670 2 43 THR HA 2 44 GLN H 4.500 . 5.000 3.554 3.534 3.566 . 0 0 "[ . 1 . 2]" 2
671 2 44 GLN H 2 44 GLN QG 4.500 . 5.500 2.810 1.966 3.941 . 0 0 "[ . 1 . 2]" 2
672 2 43 THR HB 2 44 GLN H 4.000 . 4.500 2.946 2.738 3.119 . 0 0 "[ . 1 . 2]" 2
673 2 43 THR HG1 2 44 GLN H 4.000 . 5.500 2.822 2.628 2.987 . 0 0 "[ . 1 . 2]" 2
674 2 43 THR H 2 44 GLN H 4.000 . 4.500 2.946 2.831 3.098 . 0 0 "[ . 1 . 2]" 2
675 2 44 GLN QB 2 45 GLN H 4.000 . 5.000 2.651 2.424 2.954 . 0 0 "[ . 1 . 2]" 2
676 2 44 GLN QG 2 45 GLN H 4.500 . 5.500 3.885 3.452 4.187 . 0 0 "[ . 1 . 2]" 2
677 2 45 GLN H 2 45 GLN QG 4.000 . 5.000 2.409 1.904 2.711 . 0 0 "[ . 1 . 2]" 2
678 2 44 GLN H 2 45 GLN H 4.000 . 4.500 2.382 2.271 2.534 . 0 0 "[ . 1 . 2]" 2
679 2 45 GLN HA 2 46 LEU H 4.500 . 5.000 3.479 3.360 3.588 . 0 0 "[ . 1 . 2]" 2
680 2 46 LEU H 2 46 LEU HG 4.000 . 5.000 3.176 2.174 3.453 . 0 0 "[ . 1 . 2]" 2
681 2 45 GLN QB 2 46 LEU H 4.000 . 5.000 3.010 2.511 3.824 . 0 0 "[ . 1 . 2]" 2
682 2 45 GLN QG 2 46 LEU H 4.000 . 5.000 3.697 2.563 4.379 . 0 0 "[ . 1 . 2]" 2
683 2 46 LEU H 2 48 HIS QB 5.000 . 6.000 5.518 5.151 5.738 . 0 0 "[ . 1 . 2]" 2
684 2 47 PRO HA 2 48 HIS H 4.500 . 5.000 2.212 2.156 2.368 . 0 0 "[ . 1 . 2]" 2
685 2 47 PRO QB 2 48 HIS H 4.500 . 5.500 3.761 3.712 3.851 . 0 0 "[ . 1 . 2]" 2
686 2 48 HIS HA 2 49 LEU H 4.500 . 5.000 2.794 2.591 2.977 . 0 0 "[ . 1 . 2]" 2
687 2 49 LEU H 2 49 LEU HG 4.500 . 5.500 3.528 2.421 4.690 . 0 0 "[ . 1 . 2]" 2
688 2 48 HIS QB 2 49 LEU H 4.000 . 5.000 2.150 1.892 3.226 . 0 0 "[ . 1 . 2]" 2
689 2 48 HIS H 2 49 LEU H 4.000 . 4.500 4.294 4.171 4.506 0.006 17 0 "[ . 1 . 2]" 2
690 2 49 LEU HA 2 50 LEU H 4.500 . 5.000 3.538 3.521 3.570 . 0 0 "[ . 1 . 2]" 2
691 2 50 LEU H 2 50 LEU HG 4.500 . 5.500 4.119 2.641 4.539 . 0 0 "[ . 1 . 2]" 2
692 2 49 LEU QB 2 50 LEU H 4.000 . 5.000 1.885 1.850 1.917 . 0 0 "[ . 1 . 2]" 2
693 2 49 LEU HG 2 50 LEU H 4.500 . 5.500 3.864 2.275 4.602 . 0 0 "[ . 1 . 2]" 2
694 2 49 LEU H 2 50 LEU H 4.000 . 4.500 2.988 2.717 3.148 . 0 0 "[ . 1 . 2]" 2
695 2 50 LEU HA 2 51 LYS H 4.000 . 4.500 2.752 2.589 3.113 . 0 0 "[ . 1 . 2]" 2
696 2 51 LYS H 2 51 LYS QG 4.500 . 5.500 3.974 3.815 4.053 . 0 0 "[ . 1 . 2]" 2
697 2 50 LEU QB 2 51 LYS H 4.000 . 5.000 3.955 3.671 4.049 . 0 0 "[ . 1 . 2]" 2
698 2 50 LEU HG 2 51 LYS H 4.500 . 5.500 4.558 3.663 4.811 . 0 0 "[ . 1 . 2]" 2
699 2 51 LYS H 2 51 LYS QD 5.000 . 6.000 4.539 3.514 5.056 . 0 0 "[ . 1 . 2]" 2
700 2 50 LEU H 2 51 LYS H 4.000 . 4.500 3.241 2.763 3.433 . 0 0 "[ . 1 . 2]" 2
701 2 51 LYS HA 2 52 ASP H 4.500 . 5.000 2.284 2.196 2.453 . 0 0 "[ . 1 . 2]" 2
702 2 51 LYS QB 2 52 ASP H 4.000 . 5.000 3.248 2.906 3.448 . 0 0 "[ . 1 . 2]" 2
703 2 51 LYS QG 2 52 ASP H 4.500 . 5.500 1.979 1.756 2.275 0.044 17 0 "[ . 1 . 2]" 2
704 2 52 ASP HA 2 53 VAL H 4.500 . 5.000 3.391 3.076 3.506 . 0 0 "[ . 1 . 2]" 2
705 2 53 VAL H 2 53 VAL HB 4.000 . 4.500 3.430 3.060 3.643 . 0 0 "[ . 1 . 2]" 2
706 2 52 ASP QB 2 53 VAL H 4.000 . 5.000 3.024 2.556 3.681 . 0 0 "[ . 1 . 2]" 2
707 2 52 ASP H 2 53 VAL H 4.000 . 4.500 2.029 1.867 2.417 . 0 0 "[ . 1 . 2]" 2
708 2 53 VAL HA 2 54 GLY H 4.500 . 5.000 2.287 2.108 2.399 . 0 0 "[ . 1 . 2]" 2
709 2 53 VAL QG 2 54 GLY H 4.000 . 5.500 3.463 3.331 3.559 . 0 0 "[ . 1 . 2]" 2
710 2 53 VAL H 2 54 GLY H 4.000 . 4.500 2.850 2.636 3.296 . 0 0 "[ . 1 . 2]" 2
711 2 54 GLY QA 2 55 SER H 4.000 . 5.000 2.172 2.054 2.475 . 0 0 "[ . 1 . 2]" 2
712 2 54 GLY H 2 55 SER H 4.000 . 4.500 4.282 3.757 4.527 0.027 9 0 "[ . 1 . 2]" 2
713 2 56 LEU HA 2 57 ASP H 4.500 . 5.000 3.560 3.489 3.582 . 0 0 "[ . 1 . 2]" 2
714 2 56 LEU QB 2 57 ASP H 4.000 . 5.000 2.504 1.937 3.559 . 0 0 "[ . 1 . 2]" 2
715 2 56 LEU HG 2 57 ASP H 4.500 . 6.000 3.676 1.943 4.967 . 0 0 "[ . 1 . 2]" 2
716 2 56 LEU H 2 57 ASP H 4.000 . 4.500 3.072 2.820 3.413 . 0 0 "[ . 1 . 2]" 2
717 2 58 GLU H 2 58 GLU QG 4.500 . 5.500 3.431 2.297 4.045 . 0 0 "[ . 1 . 2]" 2
718 2 57 ASP QB 2 58 GLU H 4.000 . 5.000 2.795 1.921 3.233 . 0 0 "[ . 1 . 2]" 2
719 2 57 ASP H 2 58 GLU H 4.000 . 4.500 2.701 2.346 2.895 . 0 0 "[ . 1 . 2]" 2
720 2 58 GLU HA 2 59 LYS H 4.500 . 5.000 3.490 3.453 3.539 . 0 0 "[ . 1 . 2]" 2
721 2 59 LYS H 2 59 LYS QG 4.500 . 5.500 2.503 1.955 3.553 . 0 0 "[ . 1 . 2]" 2
722 2 58 GLU H 2 59 LYS H 4.000 . 4.500 2.675 2.586 2.829 . 0 0 "[ . 1 . 2]" 2
723 2 59 LYS HA 2 60 MET H 4.500 . 5.000 3.450 3.414 3.489 . 0 0 "[ . 1 . 2]" 2
724 2 60 MET H 2 60 MET QG 4.500 . 5.500 2.495 2.361 2.772 . 0 0 "[ . 1 . 2]" 2
725 2 59 LYS QB 2 60 MET H 4.000 . 5.000 2.862 2.708 3.008 . 0 0 "[ . 1 . 2]" 2
726 2 59 LYS QG 2 60 MET H 4.500 . 5.500 4.272 3.895 4.656 . 0 0 "[ . 1 . 2]" 2
727 2 59 LYS H 2 60 MET H 4.000 . 4.500 2.536 2.432 2.650 . 0 0 "[ . 1 . 2]" 2
728 2 60 MET HA 2 61 LYS H 4.500 . 5.000 3.496 3.430 3.553 . 0 0 "[ . 1 . 2]" 2
729 2 61 LYS H 2 61 LYS QG 4.500 . 5.500 2.487 1.854 3.921 . 0 0 "[ . 1 . 2]" 2
730 2 60 MET QB 2 61 LYS H 4.000 . 5.000 2.718 2.288 3.032 . 0 0 "[ . 1 . 2]" 2
731 2 60 MET QG 2 61 LYS H 4.500 . 5.500 4.164 3.968 4.350 . 0 0 "[ . 1 . 2]" 2
732 2 60 MET H 2 61 LYS H 4.000 . 4.500 2.417 2.296 2.564 . 0 0 "[ . 1 . 2]" 2
733 2 61 LYS HA 2 62 THR H 4.500 . 5.000 3.538 3.494 3.579 . 0 0 "[ . 1 . 2]" 2
734 2 62 THR H 2 62 THR HG1 4.000 . 5.500 1.927 1.875 2.038 . 0 0 "[ . 1 . 2]" 2
735 2 61 LYS H 2 62 THR H 4.000 . 4.500 2.615 2.386 2.912 . 0 0 "[ . 1 . 2]" 2
736 2 62 THR HA 2 63 LEU H 4.500 . 5.000 3.459 3.429 3.511 . 0 0 "[ . 1 . 2]" 2
737 2 63 LEU H 2 63 LEU HG 4.500 . 5.500 3.905 2.856 4.434 . 0 0 "[ . 1 . 2]" 2
738 2 63 LEU H 2 63 LEU QD 4.500 . 6.000 2.988 1.947 3.701 . 0 0 "[ . 1 . 2]" 2
739 2 62 THR HB 2 63 LEU H 4.000 . 4.500 2.992 2.827 3.211 . 0 0 "[ . 1 . 2]" 2
740 2 62 THR H 2 63 LEU H 4.000 . 4.500 2.772 2.671 2.927 . 0 0 "[ . 1 . 2]" 2
741 2 63 LEU HA 2 64 ASP H 4.500 . 5.000 3.547 3.522 3.574 . 0 0 "[ . 1 . 2]" 2
742 2 63 LEU QB 2 64 ASP H 4.000 . 5.000 2.112 1.881 2.533 . 0 0 "[ . 1 . 2]" 2
743 2 63 LEU HG 2 64 ASP H 4.500 . 5.500 4.404 3.845 4.789 . 0 0 "[ . 1 . 2]" 2
744 2 63 LEU QD 2 64 ASP H 4.500 . 6.000 3.157 2.148 3.999 . 0 0 "[ . 1 . 2]" 2
745 2 63 LEU H 2 64 ASP H 4.000 . 4.500 3.090 2.813 3.337 . 0 0 "[ . 1 . 2]" 2
746 2 64 ASP HA 2 65 VAL H 4.500 . 5.000 3.490 3.392 3.558 . 0 0 "[ . 1 . 2]" 2
747 2 64 ASP H 2 65 VAL H 4.000 . 4.500 2.648 2.354 2.816 . 0 0 "[ . 1 . 2]" 2
748 2 65 VAL HA 2 66 ASN H 4.500 . 5.000 3.560 3.538 3.578 . 0 0 "[ . 1 . 2]" 2
749 2 65 VAL H 2 66 ASN H 4.000 . 4.500 2.930 2.553 3.287 . 0 0 "[ . 1 . 2]" 2
750 2 66 ASN HA 2 67 GLN H 4.500 . 5.000 2.910 2.652 3.150 . 0 0 "[ . 1 . 2]" 2
751 2 66 ASN QB 2 67 GLN H 4.000 . 5.000 3.793 3.579 3.923 . 0 0 "[ . 1 . 2]" 2
752 2 66 ASN QB 2 67 GLN QE 4.000 . 5.000 5.656 5.068 6.462 1.462 16 9 "[ **** -* *+* 2]" 2
753 2 67 GLN HA 2 68 ASP H 4.500 . 5.000 3.515 3.410 3.569 . 0 0 "[ . 1 . 2]" 2
754 2 66 ASN QB 2 68 ASP H 4.000 . 5.000 4.954 4.401 5.251 0.251 6 0 "[ . 1 . 2]" 2
755 2 67 GLN H 2 68 ASP H 4.000 . 4.500 2.870 2.402 3.196 . 0 0 "[ . 1 . 2]" 2
756 2 68 ASP HA 2 69 SER H 4.500 . 5.000 3.074 2.828 3.242 . 0 0 "[ . 1 . 2]" 2
757 2 66 ASN HA 2 69 SER H 4.500 . 5.000 3.581 3.252 4.181 . 0 0 "[ . 1 . 2]" 2
758 2 68 ASP QB 2 69 SER H 4.000 . 5.000 3.708 3.494 3.890 . 0 0 "[ . 1 . 2]" 2
759 2 35 ILE MD 2 69 SER H 5.500 . 7.000 6.494 4.574 7.293 0.293 19 0 "[ . 1 . 2]" 2
760 2 68 ASP H 2 69 SER H 3.500 . 4.000 2.798 2.470 3.113 . 0 0 "[ . 1 . 2]" 2
761 2 70 GLU H 2 70 GLU QG 4.000 . 5.000 3.617 1.822 3.980 . 0 0 "[ . 1 . 2]" 2
762 2 69 SER H 2 70 GLU H 3.500 . 4.000 2.759 2.548 2.861 . 0 0 "[ . 1 . 2]" 2
763 2 33 LEU HG 2 70 GLU H 4.000 . 5.000 4.570 3.792 5.910 0.910 13 1 "[ . 1 + . 2]" 2
764 2 34 ASN HA 2 70 GLU H 4.500 . 5.000 5.120 4.789 5.320 0.320 5 0 "[ . 1 . 2]" 2
765 2 67 GLN HA 2 70 GLU H 5.500 . 6.000 5.670 4.860 6.158 0.158 1 0 "[ . 1 . 2]" 2
766 2 34 ASN QB 2 70 GLU H 6.000 . 7.000 6.599 6.452 6.766 . 0 0 "[ . 1 . 2]" 2
767 2 69 SER QB 2 70 GLU H 4.000 . 5.000 3.072 2.562 3.647 . 0 0 "[ . 1 . 2]" 2
768 2 68 ASP H 2 70 GLU H 4.500 . 5.000 4.872 4.498 5.033 0.033 1 0 "[ . 1 . 2]" 2
769 2 70 GLU HA 2 71 LEU H 3.000 . 3.500 2.253 2.138 2.314 . 0 0 "[ . 1 . 2]" 2
770 2 32 SER QB 2 71 LEU H 4.500 . 5.000 4.571 4.048 5.072 0.072 9 0 "[ . 1 . 2]" 2
771 2 70 GLU QG 2 71 LEU H 4.000 . 5.000 2.568 1.792 4.370 0.008 2 0 "[ . 1 . 2]" 2
772 2 70 GLU QB 2 71 LEU H 4.000 . 5.000 3.365 3.199 3.505 . 0 0 "[ . 1 . 2]" 2
773 2 31 GLY QA 2 71 LEU HA 4.500 . 5.500 5.363 5.087 5.581 0.081 19 0 "[ . 1 . 2]" 2
774 2 71 LEU HA 2 72 ARG H 3.000 . 3.500 2.257 2.135 2.369 . 0 0 "[ . 1 . 2]" 2
775 2 72 ARG H 2 72 ARG QG 4.000 . 5.000 2.283 2.141 2.448 . 0 0 "[ . 1 . 2]" 2
776 2 71 LEU QB 2 72 ARG H 4.000 . 5.000 2.937 1.970 3.669 . 0 0 "[ . 1 . 2]" 2
777 2 72 ARG H 2 72 ARG QD 5.000 . 6.500 2.707 2.438 2.991 . 0 0 "[ . 1 . 2]" 2
778 2 32 SER HA 2 72 ARG HA 5.500 . 6.000 4.504 4.257 5.008 . 0 0 "[ . 1 . 2]" 2
779 2 72 ARG H 2 75 GLU QG 6.000 . 7.000 5.241 4.771 5.814 . 0 0 "[ . 1 . 2]" 2
780 2 33 LEU QD 2 72 ARG H 5.000 . 7.000 5.872 3.440 7.052 0.052 13 0 "[ . 1 . 2]" 2
781 2 72 ARG HA 2 73 PHE H 4.000 . 4.500 3.456 3.308 3.551 . 0 0 "[ . 1 . 2]" 2
782 2 33 LEU HA 2 73 PHE QD 6.000 . 7.000 7.438 7.026 8.078 1.078 6 7 "[ * *.+ * 1 * * - 2]" 2
783 2 71 LEU HA 2 73 PHE QD 6.500 . 7.500 3.967 3.559 4.641 . 0 0 "[ . 1 . 2]" 2
784 2 33 LEU QD 2 73 PHE QD 5.000 . 7.000 6.968 5.088 7.417 0.417 13 0 "[ . 1 . 2]" 2
785 2 72 ARG QG 2 73 PHE QD 5.000 . 7.000 4.232 3.785 4.943 . 0 0 "[ . 1 . 2]" 2
786 2 72 ARG QG 2 73 PHE QE 5.000 . 7.000 5.255 4.337 5.620 . 0 0 "[ . 1 . 2]" 2
787 2 70 GLU QB 2 73 PHE QD 6.500 . 8.500 7.640 7.300 8.283 . 0 0 "[ . 1 . 2]" 2
788 2 70 GLU QB 2 73 PHE QE 5.000 . 7.000 7.430 7.123 8.018 1.018 11 7 "[- . * **+* . *2]" 2
789 2 73 PHE HA 2 73 PHE QE 5.000 . 7.000 5.679 5.610 5.729 . 0 0 "[ . 1 . 2]" 2
790 2 73 PHE QB 2 73 PHE QE 4.000 . 6.000 3.932 3.908 3.957 . 0 0 "[ . 1 . 2]" 2
791 2 72 ARG QB 2 73 PHE H 4.500 . 5.500 2.951 2.707 3.511 . 0 0 "[ . 1 . 2]" 2
792 2 72 ARG QG 2 73 PHE H 4.000 . 5.000 3.645 3.371 3.954 . 0 0 "[ . 1 . 2]" 2
793 2 72 ARG QD 2 73 PHE H 5.000 . 6.500 4.333 4.180 4.474 . 0 0 "[ . 1 . 2]" 2
794 2 72 ARG H 2 73 PHE H 5.500 . 6.000 1.939 1.870 2.068 . 0 0 "[ . 1 . 2]" 2
795 2 73 PHE H 2 75 GLU QG 5.000 . 6.000 4.877 4.250 5.310 . 0 0 "[ . 1 . 2]" 2
796 2 73 PHE QB 2 75 GLU H 5.500 . 6.500 4.262 3.744 4.583 . 0 0 "[ . 1 . 2]" 2
797 2 32 SER HA 2 73 PHE QD 6.500 . 8.500 3.565 3.182 4.534 . 0 0 "[ . 1 . 2]" 2
798 2 73 PHE QD 2 74 SER HA 6.000 . 8.000 4.625 4.201 4.863 . 0 0 "[ . 1 . 2]" 2
799 2 73 PHE QD 2 76 TYR QD 6.000 . 8.000 6.332 5.475 6.751 . 0 0 "[ . 1 . 2]" 2
800 2 73 PHE QE 2 76 TYR QD 5.500 . 7.500 7.183 6.816 7.467 . 0 0 "[ . 1 . 2]" 2
801 2 73 PHE QD 2 76 TYR QE 6.000 . 8.000 6.588 5.959 6.908 . 0 0 "[ . 1 . 2]" 2
802 2 73 PHE QE 2 76 TYR QE 5.500 . 7.500 7.723 7.525 7.933 0.433 10 0 "[ . 1 . 2]" 2
803 2 73 PHE HA 2 74 SER H 3.500 . 4.000 3.531 3.273 3.646 . 0 0 "[ . 1 . 2]" 2
804 2 74 SER H 2 75 GLU QG 5.500 . 5.500 3.531 2.853 4.915 . 0 0 "[ . 1 . 2]" 2
805 2 74 SER HA 2 75 GLU H . . 4.500 3.250 3.011 3.382 . 0 0 "[ . 1 . 2]" 2
806 2 75 GLU H 2 75 GLU QG 4.500 . 5.500 2.435 1.842 3.660 . 0 0 "[ . 1 . 2]" 2
807 2 75 GLU H 2 76 TYR QD 6.000 . 8.000 5.461 4.414 5.825 . 0 0 "[ . 1 . 2]" 2
808 2 75 GLU HA 2 76 TYR H 4.500 . 5.000 3.236 3.088 3.408 . 0 0 "[ . 1 . 2]" 2
809 2 76 TYR H 2 76 TYR QD 5.000 . 5.500 3.603 2.985 3.829 . 0 0 "[ . 1 . 2]" 2
810 2 76 TYR HA 2 76 TYR QE 5.000 . 7.000 4.035 4.007 4.245 . 0 0 "[ . 1 . 2]" 2
811 2 76 TYR QB 2 76 TYR QE 4.000 . 6.000 3.949 3.915 3.971 . 0 0 "[ . 1 . 2]" 2
812 2 75 GLU QB 2 76 TYR H 4.000 . 5.000 3.527 3.204 3.761 . 0 0 "[ . 1 . 2]" 2
813 2 75 GLU QG 2 76 TYR H 4.500 . 5.500 4.653 4.439 4.977 . 0 0 "[ . 1 . 2]" 2
814 2 75 GLU H 2 76 TYR H 4.000 . 4.500 2.939 2.592 3.344 . 0 0 "[ . 1 . 2]" 2
815 2 76 TYR HA 2 79 LEU H 4.000 . 4.500 3.175 3.058 3.336 . 0 0 "[ . 1 . 2]" 2
816 2 70 GLU QG 2 76 TYR QB 6.000 . 7.000 7.105 6.101 8.801 1.801 20 2 "[ . 1 - . +]" 2
817 2 76 TYR HA 2 77 TRP H 4.500 . 5.000 3.425 3.377 3.471 . 0 0 "[ . 1 . 2]" 2
818 2 77 TRP H 2 77 TRP HD1 5.500 . 6.000 4.171 4.015 4.342 . 0 0 "[ . 1 . 2]" 2
819 2 76 TYR QB 2 77 TRP H 4.000 . 5.000 3.019 2.931 3.158 . 0 0 "[ . 1 . 2]" 2
820 2 74 SER HA 2 77 TRP H 4.500 . 5.000 5.084 4.895 5.203 0.203 5 0 "[ . 1 . 2]" 2
821 2 74 SER QB 2 77 TRP H 4.000 . 5.000 5.159 5.051 5.231 0.231 19 0 "[ . 1 . 2]" 2
822 2 76 TYR H 2 77 TRP H 4.000 . 4.500 2.754 2.385 3.079 . 0 0 "[ . 1 . 2]" 2
823 2 77 TRP HD1 2 78 ARG HA 4.500 . 5.000 2.531 2.378 2.873 . 0 0 "[ . 1 . 2]" 2
824 2 77 TRP HD1 2 78 ARG QG 6.000 . 7.000 2.455 1.914 2.764 . 0 0 "[ . 1 . 2]" 2
825 2 76 TYR QB 2 77 TRP HH2 6.000 . 8.000 7.331 7.100 7.457 . 0 0 "[ . 1 . 2]" 2
826 2 75 GLU HA 2 77 TRP HZ3 6.000 . 8.000 3.970 3.590 4.366 . 0 0 "[ . 1 . 2]" 2
827 2 76 TYR QB 2 77 TRP HZ3 4.000 . 6.000 6.044 5.924 6.129 0.129 18 0 "[ . 1 . 2]" 2
828 2 75 GLU QG 2 77 TRP HZ3 5.000 . 6.500 5.347 4.719 6.311 . 0 0 "[ . 1 . 2]" 2
829 2 77 TRP HZ3 2 78 ARG QG 6.000 . 7.000 6.423 6.005 7.036 0.036 15 0 "[ . 1 . 2]" 2
830 2 76 TYR QE 2 77 TRP H 6.500 . 8.500 6.771 6.723 6.843 . 0 0 "[ . 1 . 2]" 2
831 2 77 TRP H 2 77 TRP HE3 6.000 . 8.000 3.056 2.923 3.166 . 0 0 "[ . 1 . 2]" 2
832 2 77 TRP HA 2 78 ARG H 4.500 . 5.000 3.442 3.404 3.485 . 0 0 "[ . 1 . 2]" 2
833 2 77 TRP QB 2 78 ARG H 4.000 . 5.000 3.685 3.596 3.759 . 0 0 "[ . 1 . 2]" 2
834 2 77 TRP H 2 78 ARG H 4.000 . 4.500 2.691 2.640 2.754 . 0 0 "[ . 1 . 2]" 2
835 2 75 GLU HA 2 78 ARG QB 4.000 . 5.000 4.543 4.383 4.773 . 0 0 "[ . 1 . 2]" 2
836 2 78 ARG HA 2 79 LEU H 4.500 . 5.000 3.498 3.393 3.584 . 0 0 "[ . 1 . 2]" 2
837 2 79 LEU H 2 79 LEU HG 5.000 . 5.500 2.060 1.797 3.352 0.003 13 0 "[ . 1 . 2]" 2
838 2 78 ARG QB 2 79 LEU H 4.000 . 5.000 2.825 2.561 3.173 . 0 0 "[ . 1 . 2]" 2
839 2 78 ARG QG 2 79 LEU H 5.000 . 5.500 4.237 4.090 4.488 . 0 0 "[ . 1 . 2]" 2
840 2 78 ARG H 2 79 LEU H 4.000 . 4.500 2.531 2.288 2.673 . 0 0 "[ . 1 . 2]" 2
841 2 79 LEU HA 2 80 ILE H 4.500 . 5.000 3.409 3.313 3.455 . 0 0 "[ . 1 . 2]" 2
842 2 80 ILE H 2 80 ILE HB 4.000 . 5.000 2.150 2.072 2.320 . 0 0 "[ . 1 . 2]" 2
843 2 80 ILE H 2 80 ILE MD 5.000 . 6.000 4.102 3.345 4.293 . 0 0 "[ . 1 . 2]" 2
844 2 79 LEU QB 2 80 ILE H 4.000 . 5.000 3.032 2.707 3.483 . 0 0 "[ . 1 . 2]" 2
845 2 79 LEU HG 2 80 ILE H 5.000 . 5.500 3.910 3.549 4.980 . 0 0 "[ . 1 . 2]" 2
846 2 79 LEU QD 2 80 ILE H 5.000 . 6.000 3.829 3.569 4.298 . 0 0 "[ . 1 . 2]" 2
847 2 79 LEU H 2 80 ILE H 4.000 . 4.500 2.441 2.259 2.630 . 0 0 "[ . 1 . 2]" 2
848 2 80 ILE HA 2 81 GLY H 4.500 . 5.000 3.578 3.564 3.587 . 0 0 "[ . 1 . 2]" 2
849 2 80 ILE H 2 81 GLY H 4.000 . 4.500 3.035 2.756 3.141 . 0 0 "[ . 1 . 2]" 2
850 2 81 GLY QA 2 82 GLU H 4.500 . 5.500 2.934 2.879 2.949 . 0 0 "[ . 1 . 2]" 2
851 2 81 GLY H 2 82 GLU H 4.000 . 4.500 2.524 2.445 2.582 . 0 0 "[ . 1 . 2]" 2
852 2 82 GLU HA 2 83 LEU H 4.500 . 5.000 3.547 3.531 3.560 . 0 0 "[ . 1 . 2]" 2
853 2 83 LEU H 2 83 LEU HG 5.000 . 5.500 3.272 2.669 3.691 . 0 0 "[ . 1 . 2]" 2
854 2 82 GLU QB 2 83 LEU H 4.000 . 5.000 2.098 1.955 2.261 . 0 0 "[ . 1 . 2]" 2
855 2 82 GLU QG 2 83 LEU H 5.000 . 6.000 3.813 3.625 4.020 . 0 0 "[ . 1 . 2]" 2
856 2 83 LEU QB 2 84 ALA H 4.000 . 5.000 2.941 2.842 3.108 . 0 0 "[ . 1 . 2]" 2
857 2 83 LEU HG 2 84 ALA H 5.000 . 5.500 5.039 4.735 5.192 . 0 0 "[ . 1 . 2]" 2
858 2 83 LEU QD 2 84 ALA H 5.000 . 6.000 4.002 3.734 4.338 . 0 0 "[ . 1 . 2]" 2
859 2 84 ALA HA 2 85 LYS H 4.500 . 5.000 3.517 3.473 3.564 . 0 0 "[ . 1 . 2]" 2
860 2 85 LYS H 2 85 LYS QD 5.000 . 6.000 3.337 2.328 4.450 . 0 0 "[ . 1 . 2]" 2
861 2 84 ALA MB 2 85 LYS H 5.000 . 6.500 2.751 2.641 2.848 . 0 0 "[ . 1 . 2]" 2
862 2 85 LYS HA 2 86 GLU H 4.500 . 5.000 3.410 3.359 3.446 . 0 0 "[ . 1 . 2]" 2
863 2 85 LYS QD 2 86 GLU H 5.000 . 6.000 4.895 3.895 5.748 . 0 0 "[ . 1 . 2]" 2
864 2 85 LYS QG 2 86 GLU H 5.000 . 6.000 4.122 2.066 4.640 . 0 0 "[ . 1 . 2]" 2
865 2 86 GLU HA 2 87 VAL H 4.500 . 5.000 3.524 3.485 3.577 . 0 0 "[ . 1 . 2]" 2
866 2 87 VAL H 2 87 VAL HB 4.000 . 4.500 2.546 2.353 3.053 . 0 0 "[ . 1 . 2]" 2
867 2 86 GLU QB 2 87 VAL H 4.000 . 5.000 2.754 2.149 3.370 . 0 0 "[ . 1 . 2]" 2
868 2 86 GLU QG 2 87 VAL H 5.000 . 6.000 2.779 1.870 3.574 . 0 0 "[ . 1 . 2]" 2
869 2 86 GLU H 2 87 VAL H 4.000 . 4.500 2.482 2.315 2.881 . 0 0 "[ . 1 . 2]" 2
870 2 87 VAL HA 2 88 ARG H 4.500 . 5.000 3.364 3.215 3.534 . 0 0 "[ . 1 . 2]" 2
871 2 88 ARG H 2 88 ARG QD 5.000 . 6.000 4.496 4.273 4.751 . 0 0 "[ . 1 . 2]" 2
872 2 87 VAL H 2 88 ARG H 4.000 . 4.500 2.588 2.368 2.715 . 0 0 "[ . 1 . 2]" 2
873 2 88 ARG HA 2 89 LYS H 4.500 . 5.000 3.562 3.525 3.580 . 0 0 "[ . 1 . 2]" 2
874 2 89 LYS H 2 89 LYS QD 5.000 . 6.000 3.116 1.933 4.370 . 0 0 "[ . 1 . 2]" 2
875 2 88 ARG QB 2 89 LYS H 4.000 . 5.000 2.140 1.922 2.546 . 0 0 "[ . 1 . 2]" 2
876 2 88 ARG QG 2 89 LYS H 5.000 . 6.000 3.683 2.862 4.439 . 0 0 "[ . 1 . 2]" 2
877 2 88 ARG QD 2 89 LYS H 5.000 . 6.000 3.998 2.910 5.116 . 0 0 "[ . 1 . 2]" 2
878 2 88 ARG H 2 89 LYS H 4.000 . 4.500 2.876 2.528 3.340 . 0 0 "[ . 1 . 2]" 2
879 2 87 VAL HA 2 89 LYS H 4.500 . 5.000 4.845 4.368 5.129 0.129 9 0 "[ . 1 . 2]" 2
880 2 89 LYS HA 2 90 GLU H 4.500 . 5.000 3.454 3.439 3.481 . 0 0 "[ . 1 . 2]" 2
881 2 89 LYS QB 2 90 GLU H 4.000 . 5.000 3.377 3.227 3.506 . 0 0 "[ . 1 . 2]" 2
882 2 89 LYS QG 2 90 GLU H 5.000 . 6.000 1.903 1.813 2.013 . 0 0 "[ . 1 . 2]" 2
883 2 89 LYS QD 2 90 GLU H 5.000 . 6.000 3.587 2.602 4.089 . 0 0 "[ . 1 . 2]" 2
884 2 89 LYS H 2 90 GLU H 4.000 . 4.500 2.420 2.179 2.652 . 0 0 "[ . 1 . 2]" 2
885 2 90 GLU HA 2 91 LYS H 4.500 . 5.000 3.413 3.368 3.457 . 0 0 "[ . 1 . 2]" 2
886 2 91 LYS H 2 91 LYS QD 5.000 . 6.000 3.837 3.608 4.069 . 0 0 "[ . 1 . 2]" 2
887 2 90 GLU QB 2 91 LYS H 4.000 . 5.000 3.111 2.937 3.235 . 0 0 "[ . 1 . 2]" 2
888 2 90 GLU QG 2 91 LYS H 5.000 . 6.000 4.429 4.319 4.528 . 0 0 "[ . 1 . 2]" 2
889 2 90 GLU H 2 91 LYS H 4.000 . 4.500 2.654 2.584 2.840 . 0 0 "[ . 1 . 2]" 2
890 2 91 LYS HA 2 92 ALA H 4.500 . 5.000 3.532 3.510 3.555 . 0 0 "[ . 1 . 2]" 2
891 2 91 LYS QB 2 92 ALA H 4.000 . 5.000 3.271 3.240 3.350 . 0 0 "[ . 1 . 2]" 2
892 2 91 LYS QG 2 92 ALA H 5.000 . 6.000 1.875 1.819 2.069 . 0 0 "[ . 1 . 2]" 2
893 2 91 LYS QD 2 92 ALA H 5.000 . 6.000 3.960 3.901 4.146 . 0 0 "[ . 1 . 2]" 2
894 2 91 LYS H 2 92 ALA H 4.000 . 4.500 2.767 2.649 2.919 . 0 0 "[ . 1 . 2]" 2
895 2 92 ALA HA 2 93 LEU H 4.500 . 5.000 3.487 3.432 3.574 . 0 0 "[ . 1 . 2]" 2
896 2 93 LEU H 2 93 LEU HG 5.000 . 5.500 4.451 4.354 4.488 . 0 0 "[ . 1 . 2]" 2
897 2 92 ALA MB 2 93 LEU H 5.000 . 6.500 2.857 2.298 3.035 . 0 0 "[ . 1 . 2]" 2
898 2 92 ALA H 2 93 LEU H 4.000 . 4.500 2.469 2.397 2.686 . 0 0 "[ . 1 . 2]" 2
899 2 93 LEU HA 2 94 GLY H 4.500 . 5.000 3.469 3.408 3.524 . 0 0 "[ . 1 . 2]" 2
900 2 93 LEU QB 2 94 GLY H 4.000 . 5.000 2.861 2.671 3.145 . 0 0 "[ . 1 . 2]" 2
901 2 93 LEU HG 2 94 GLY H 5.000 . 5.500 4.589 4.218 4.967 . 0 0 "[ . 1 . 2]" 2
902 2 93 LEU QD 2 94 GLY H 5.000 . 6.000 3.747 3.237 4.206 . 0 0 "[ . 1 . 2]" 2
903 2 93 LEU H 2 94 GLY H 4.000 . 4.500 2.396 2.264 2.729 . 0 0 "[ . 1 . 2]" 2
904 2 94 GLY QA 2 95 ILE H 4.500 . 5.000 2.709 2.636 2.800 . 0 0 "[ . 1 . 2]" 2
905 2 95 ILE H 2 95 ILE HB 4.000 . 4.500 3.330 2.506 3.607 . 0 0 "[ . 1 . 2]" 2
906 2 94 GLY H 2 95 ILE H 4.000 . 4.500 2.886 2.730 2.981 . 0 0 "[ . 1 . 2]" 2
907 2 95 ILE HA 2 96 ARG H 4.500 . 5.000 2.485 2.302 2.595 . 0 0 "[ . 1 . 2]" 2
908 2 96 ARG H 2 96 ARG QD 5.000 . 6.000 3.538 1.904 4.346 . 0 0 "[ . 1 . 2]" 2
909 2 95 ILE HB 2 96 ARG H 4.500 . 5.000 4.351 4.099 4.647 . 0 0 "[ . 1 . 2]" 2
910 2 95 ILE QG 2 96 ARG H 4.000 . 5.500 3.699 3.407 3.972 . 0 0 "[ . 1 . 2]" 2
911 2 95 ILE H 2 96 ARG H 4.000 . 4.500 3.748 3.578 4.064 . 0 0 "[ . 1 . 2]" 2
912 2 96 ARG HA 2 97 LYS H 4.500 . 5.000 3.434 3.384 3.473 . 0 0 "[ . 1 . 2]" 2
913 2 97 LYS H 2 97 LYS QD 5.000 . 6.000 2.864 1.934 3.989 . 0 0 "[ . 1 . 2]" 2
914 2 96 ARG QB 2 97 LYS H 4.000 . 5.000 3.151 2.705 3.695 . 0 0 "[ . 1 . 2]" 2
915 2 96 ARG QG 2 97 LYS H 5.000 . 6.000 3.707 1.937 4.503 . 0 0 "[ . 1 . 2]" 2
916 2 96 ARG QD 2 97 LYS H 5.000 . 6.000 4.399 2.865 5.112 . 0 0 "[ . 1 . 2]" 2
917 2 96 ARG H 2 97 LYS H 4.000 . 4.500 2.529 2.220 2.677 . 0 0 "[ . 1 . 2]" 2
918 2 97 LYS HA 2 98 LYS H 4.500 . 5.000 2.287 2.259 2.312 . 0 0 "[ . 1 . 2]" 2
919 2 98 LYS H 2 98 LYS QD 5.000 . 6.000 4.294 3.982 4.834 . 0 0 "[ . 1 . 2]" 2
920 2 97 LYS QB 2 98 LYS H 4.000 . 5.000 3.800 3.773 3.857 . 0 0 "[ . 1 . 2]" 2
921 2 97 LYS QG 2 98 LYS H 5.000 . 6.000 4.623 4.298 4.942 . 0 0 "[ . 1 . 2]" 2
922 2 97 LYS QD 2 98 LYS H 5.000 . 6.000 5.072 4.384 6.019 0.019 12 0 "[ . 1 . 2]" 2
923 2 97 LYS H 2 98 LYS H 4.000 . 4.500 3.914 3.840 3.977 . 0 0 "[ . 1 . 2]" 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 303
_Distance_constraint_stats_list.Viol_count 712
_Distance_constraint_stats_list.Viol_total 4008.711
_Distance_constraint_stats_list.Viol_max 2.408
_Distance_constraint_stats_list.Viol_rms 0.1663
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0331
_Distance_constraint_stats_list.Viol_average_violations_only 0.2815
_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 2 ALA 0.065 0.059 18 0 "[ . 1 . 2]"
1 7 THR 3.303 0.287 6 0 "[ . 1 . 2]"
1 8 GLU 3.091 0.268 14 0 "[ . 1 . 2]"
1 9 LEU 0.383 0.192 20 0 "[ . 1 . 2]"
1 10 GLU 10.636 0.474 8 0 "[ . 1 . 2]"
1 11 ALA 3.392 0.276 17 0 "[ . 1 . 2]"
1 12 ALA 1.782 0.268 14 0 "[ . 1 . 2]"
1 13 ILE 1.587 0.117 1 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 THR 5.861 0.880 13 2 "[ . 1 + . -]"
1 16 VAL 1.300 0.133 18 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 2.869 0.880 13 2 "[ . 1 + . -]"
1 19 THR 3.527 0.275 1 0 "[ . 1 . 2]"
1 20 PHE 14.395 1.356 20 14 "[*** * **** -**. ** +]"
1 21 PHE 15.066 1.582 20 10 "[** . **** * -. *+]"
1 22 THR 4.247 0.275 1 0 "[ . 1 . 2]"
1 23 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 15.486 1.356 20 14 "[*** * **** -**. ** +]"
1 25 GLY 13.278 1.582 20 10 "[** . **** - *. *+]"
1 35 ILE 6.912 0.473 14 0 "[ . 1 . 2]"
1 36 ASN 9.465 0.789 16 4 "[ -. 1** .+ 2]"
1 37 GLU 4.277 0.715 12 1 "[ . 1 + . 2]"
1 38 PHE 9.653 0.473 14 0 "[ . 1 . 2]"
1 39 LYS 0.274 0.099 13 0 "[ . 1 . 2]"
1 40 GLU 12.604 0.789 16 4 "[ -. 1** .+ 2]"
1 41 LEU 6.833 0.902 15 6 "[ . * *- +* *]"
1 42 ALA 4.193 0.216 8 0 "[ . 1 . 2]"
1 43 THR 0.782 0.760 20 1 "[ . 1 . +]"
1 44 GLN 21.061 1.498 8 14 "[**- .**+ ** ******]"
1 45 GLN 0.426 0.168 6 0 "[ . 1 . 2]"
1 46 LEU 3.369 0.760 20 1 "[ . 1 . +]"
1 47 PRO 2.601 0.980 8 2 "[ .- + 1 . 2]"
1 48 HIS 16.978 1.498 8 11 "[**- .**+ * . ****]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LEU 0.070 0.070 4 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 MET 2.094 0.332 17 0 "[ . 1 . 2]"
1 61 LYS 1.274 0.427 13 0 "[ . 1 . 2]"
1 62 THR 0.101 0.056 8 0 "[ . 1 . 2]"
1 63 LEU 0.486 0.179 13 0 "[ . 1 . 2]"
1 64 ASP 6.331 0.777 13 4 "[ . 1 *+-. *2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLN 3.272 0.777 13 4 "[ . 1 *+-. *2]"
1 68 ASP 0.147 0.088 14 0 "[ . 1 . 2]"
1 75 GLU 4.803 0.440 3 0 "[ . 1 . 2]"
1 76 TYR 2.185 0.274 12 0 "[ . 1 . 2]"
1 77 TRP 0.033 0.018 4 0 "[ . 1 . 2]"
1 78 ARG 6.012 0.440 3 0 "[ . 1 . 2]"
1 79 LEU 2.185 0.274 12 0 "[ . 1 . 2]"
1 80 ILE 0.133 0.081 7 0 "[ . 1 . 2]"
1 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 1.058 0.178 13 0 "[ . 1 . 2]"
1 83 LEU 3.473 0.643 9 2 "[ . +1 . -]"
1 84 ALA 4.507 0.402 8 0 "[ . 1 . 2]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLU 6.572 0.643 9 2 "[ . +1 . -]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ARG 5.515 0.384 16 0 "[ . 1 . 2]"
1 89 LYS 3.228 0.453 19 0 "[ . 1 . 2]"
1 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LYS 1.804 0.249 1 0 "[ . 1 . 2]"
1 92 ALA 66.379 2.408 5 20 [-***+***************]
1 93 LEU 0.003 0.003 2 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ILE 23.290 1.822 5 15 "[-* *+** ***** .****2]"
1 96 ARG 38.503 2.408 5 20 [*-**+***************]
1 97 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 ALA 0.023 0.023 18 0 "[ . 1 . 2]"
2 7 THR 3.303 0.287 6 0 "[ . 1 . 2]"
2 8 GLU 2.916 0.268 14 0 "[ . 1 . 2]"
2 9 LEU 0.344 0.156 20 0 "[ . 1 . 2]"
2 10 GLU 9.475 0.402 8 0 "[ . 1 . 2]"
2 11 ALA 3.392 0.276 17 0 "[ . 1 . 2]"
2 12 ALA 1.782 0.268 14 0 "[ . 1 . 2]"
2 13 ILE 1.432 0.117 1 0 "[ . 1 . 2]"
2 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 THR 6.065 0.880 13 2 "[ . 1 + . -]"
2 16 VAL 1.225 0.127 3 0 "[ . 1 . 2]"
2 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 SER 2.869 0.880 13 2 "[ . 1 + . -]"
2 19 THR 3.517 0.275 1 0 "[ . 1 . 2]"
2 20 PHE 14.395 1.356 20 14 "[*** * **** -**. ** +]"
2 21 PHE 15.066 1.582 20 10 "[** . **** * -. *+]"
2 22 THR 4.408 0.275 1 0 "[ . 1 . 2]"
2 23 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 ALA 15.486 1.356 20 14 "[*** * **** -**. ** +]"
2 25 GLY 13.278 1.582 20 10 "[** . **** - *. *+]"
2 35 ILE 6.912 0.473 14 0 "[ . 1 . 2]"
2 36 ASN 9.465 0.789 16 4 "[ -. 1** .+ 2]"
2 37 GLU 4.277 0.715 12 1 "[ . 1 + . 2]"
2 38 PHE 9.653 0.473 14 0 "[ . 1 . 2]"
2 39 LYS 0.274 0.099 13 0 "[ . 1 . 2]"
2 40 GLU 12.604 0.789 16 4 "[ -. 1** .+ 2]"
2 41 LEU 6.833 0.902 15 6 "[ . * *- +* *]"
2 42 ALA 4.193 0.216 8 0 "[ . 1 . 2]"
2 43 THR 0.825 0.760 20 1 "[ . 1 . +]"
2 44 GLN 21.061 1.498 8 14 "[**- .**+ ** ******]"
2 45 GLN 0.426 0.168 6 0 "[ . 1 . 2]"
2 46 LEU 3.369 0.760 20 1 "[ . 1 . +]"
2 47 PRO 2.601 0.980 8 2 "[ .- + 1 . 2]"
2 48 HIS 16.978 1.498 8 11 "[**- .**+ * . ****]"
2 49 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 50 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 LEU 0.070 0.070 4 0 "[ . 1 . 2]"
2 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 60 MET 2.094 0.332 17 0 "[ . 1 . 2]"
2 61 LYS 1.274 0.427 13 0 "[ . 1 . 2]"
2 62 THR 0.101 0.056 8 0 "[ . 1 . 2]"
2 63 LEU 0.486 0.179 13 0 "[ . 1 . 2]"
2 64 ASP 6.331 0.777 13 4 "[ . 1 *+-. *2]"
2 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 66 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 GLN 3.272 0.777 13 4 "[ . 1 *+-. *2]"
2 68 ASP 0.147 0.088 14 0 "[ . 1 . 2]"
2 75 GLU 4.767 0.440 3 0 "[ . 1 . 2]"
2 76 TYR 2.185 0.274 12 0 "[ . 1 . 2]"
2 77 TRP 0.028 0.019 4 0 "[ . 1 . 2]"
2 78 ARG 6.102 0.440 3 0 "[ . 1 . 2]"
2 79 LEU 2.185 0.274 12 0 "[ . 1 . 2]"
2 80 ILE 0.133 0.081 7 0 "[ . 1 . 2]"
2 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 82 GLU 1.047 0.178 13 0 "[ . 1 . 2]"
2 83 LEU 3.473 0.643 9 2 "[ . +1 . -]"
2 84 ALA 5.757 0.474 8 0 "[ . 1 . 2]"
2 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 GLU 6.572 0.643 9 2 "[ . +1 . -]"
2 87 VAL 0.011 0.011 20 0 "[ . 1 . 2]"
2 88 ARG 5.515 0.384 16 0 "[ . 1 . 2]"
2 89 LYS 3.228 0.453 19 0 "[ . 1 . 2]"
2 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 91 LYS 1.719 0.249 1 0 "[ . 1 . 2]"
2 92 ALA 66.415 2.408 5 20 [-***+***************]
2 93 LEU 0.003 0.003 2 0 "[ . 1 . 2]"
2 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 95 ILE 23.290 1.822 5 15 "[-* *+** ***** .****2]"
2 96 ARG 38.503 2.408 5 20 [*-**+***************]
2 97 LYS 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 7 THR HA 1 11 ALA H 5.000 . 6.000 5.953 5.780 6.083 0.083 3 0 "[ . 1 . 2]" 3
2 1 8 GLU HA 1 12 ALA H 4.500 . 5.000 5.069 4.743 5.268 0.268 14 0 "[ . 1 . 2]" 3
3 1 9 LEU HA 1 13 ILE H 4.500 . 5.000 4.269 3.885 4.570 . 0 0 "[ . 1 . 2]" 3
4 1 7 THR HA 1 10 GLU H 4.500 2.600 5.500 4.194 4.112 4.425 . 0 0 "[ . 1 . 2]" 3
5 1 8 GLU HA 1 11 ALA H 4.500 . 5.000 3.328 3.166 3.493 . 0 0 "[ . 1 . 2]" 3
6 1 9 LEU HA 1 12 ALA H 4.500 . 5.000 2.721 2.458 2.904 . 0 0 "[ . 1 . 2]" 3
7 1 7 THR HA 1 10 GLU HB3 4.000 2.100 5.000 5.146 4.960 5.287 0.287 6 0 "[ . 1 . 2]" 3
8 1 8 GLU HA 1 11 ALA MB 4.000 2.100 5.000 3.392 3.193 3.687 . 0 0 "[ . 1 . 2]" 3
9 1 9 LEU HA 1 12 ALA MB 3.000 . 4.000 2.463 2.097 2.660 . 0 0 "[ . 1 . 2]" 3
10 1 7 THR H 1 9 LEU H 3.900 . 4.900 3.935 3.742 4.100 . 0 0 "[ . 1 . 2]" 3
11 1 10 GLU HA 1 14 GLU H 4.000 . 5.000 4.540 4.307 4.726 . 0 0 "[ . 1 . 2]" 3
12 1 11 ALA HA 1 15 THR H 4.500 . 5.000 5.150 4.960 5.276 0.276 17 0 "[ . 1 . 2]" 3
13 1 12 ALA HA 1 16 VAL H 4.500 . 5.000 4.090 3.888 4.471 . 0 0 "[ . 1 . 2]" 3
14 1 10 GLU HA 1 13 ILE H 4.500 2.600 5.500 2.623 2.541 2.791 0.059 15 0 "[ . 1 . 2]" 3
15 1 11 ALA HA 1 14 GLU H 4.500 . 5.000 3.315 3.199 3.466 . 0 0 "[ . 1 . 2]" 3
16 1 12 ALA HA 1 15 THR H 4.500 . 5.000 2.845 2.711 3.044 . 0 0 "[ . 1 . 2]" 3
17 1 10 GLU HA 1 13 ILE HB 4.000 2.100 5.000 2.139 1.983 2.938 0.117 1 0 "[ . 1 . 2]" 3
18 1 11 ALA HA 1 14 GLU HB2 4.000 2.100 5.000 3.778 3.413 4.787 . 0 0 "[ . 1 . 2]" 3
19 1 12 ALA HA 1 15 THR HB 3.000 . 4.000 3.343 3.040 3.712 . 0 0 "[ . 1 . 2]" 3
20 1 10 GLU H 1 12 ALA H 3.900 . 4.900 3.574 3.490 3.643 . 0 0 "[ . 1 . 2]" 3
21 1 11 ALA H 1 13 ILE H 3.900 . 4.900 3.485 3.330 3.589 . 0 0 "[ . 1 . 2]" 3
22 1 12 ALA H 1 14 GLU H 3.900 . 4.900 3.638 3.487 3.756 . 0 0 "[ . 1 . 2]" 3
23 1 13 ILE HA 1 17 VAL H 4.000 . 5.000 3.378 3.249 3.507 . 0 0 "[ . 1 . 2]" 3
24 1 14 GLU HA 1 18 SER H 4.500 . 5.000 3.459 3.114 4.366 . 0 0 "[ . 1 . 2]" 3
25 1 15 THR HA 1 19 THR H 4.500 . 5.000 3.755 3.573 4.486 . 0 0 "[ . 1 . 2]" 3
26 1 14 GLU HA 1 17 VAL H 4.500 . 5.000 3.364 3.176 3.621 . 0 0 "[ . 1 . 2]" 3
27 1 15 THR HA 1 18 SER H 4.500 . 5.000 3.165 2.964 3.464 . 0 0 "[ . 1 . 2]" 3
28 1 13 ILE HA 1 16 VAL HB 4.000 2.100 5.000 3.579 3.145 3.789 . 0 0 "[ . 1 . 2]" 3
29 1 14 GLU HA 1 17 VAL HB 4.000 2.100 5.000 3.511 3.368 3.669 . 0 0 "[ . 1 . 2]" 3
30 1 15 THR HA 1 18 SER HB3 3.000 . 4.000 3.640 2.496 4.880 0.880 13 2 "[ . 1 + . -]" 3
31 1 13 ILE H 1 15 THR H 3.900 . 4.900 3.914 3.850 4.009 . 0 0 "[ . 1 . 2]" 3
32 1 14 GLU H 1 16 VAL H 3.900 . 4.900 4.016 3.830 4.287 . 0 0 "[ . 1 . 2]" 3
33 1 18 SER HA 1 22 THR H 4.500 . 5.000 3.831 3.671 4.007 . 0 0 "[ . 1 . 2]" 3
34 1 16 VAL HA 1 19 THR H 4.500 2.600 5.500 3.164 2.933 3.309 . 0 0 "[ . 1 . 2]" 3
35 1 17 VAL HA 1 20 PHE H 4.500 . 5.000 4.509 4.299 4.737 . 0 0 "[ . 1 . 2]" 3
36 1 18 SER HA 1 21 PHE H 4.500 . 5.000 4.782 4.404 5.019 0.019 19 0 "[ . 1 . 2]" 3
37 1 16 VAL HA 1 19 THR HB 4.000 2.100 5.000 3.908 3.692 4.304 . 0 0 "[ . 1 . 2]" 3
38 1 18 SER HA 1 21 PHE QB 3.000 . 4.000 3.992 3.851 4.124 0.124 13 0 "[ . 1 . 2]" 3
39 1 16 VAL H 1 18 SER H 3.900 . 4.900 3.775 3.607 4.004 . 0 0 "[ . 1 . 2]" 3
40 1 17 VAL H 1 19 THR H 3.900 . 4.900 3.363 3.188 3.591 . 0 0 "[ . 1 . 2]" 3
41 1 18 SER H 1 20 PHE H 3.900 . 4.900 4.799 4.527 5.000 0.100 16 0 "[ . 1 . 2]" 3
42 1 20 PHE HA 1 24 ALA H 4.500 . 5.000 5.709 5.121 6.356 1.356 20 14 "[*** * **** -**. ** +]" 3
43 1 21 PHE HA 1 25 GLY H 4.500 . 5.000 5.664 5.254 6.582 1.582 20 10 "[** . **** - *. *+]" 3
44 1 19 THR HA 1 22 THR H 4.500 2.600 5.500 4.051 3.927 4.170 . 0 0 "[ . 1 . 2]" 3
45 1 20 PHE HA 1 23 PHE H 4.500 . 5.000 3.487 3.155 3.828 . 0 0 "[ . 1 . 2]" 3
46 1 21 PHE HA 1 24 ALA H 4.500 . 5.000 3.330 2.946 4.392 . 0 0 "[ . 1 . 2]" 3
47 1 19 THR HA 1 22 THR HB 4.000 2.100 5.000 5.175 4.981 5.275 0.275 1 0 "[ . 1 . 2]" 3
48 1 20 PHE HA 1 23 PHE QB 4.000 2.100 5.000 3.431 2.861 4.094 . 0 0 "[ . 1 . 2]" 3
49 1 21 PHE HA 1 24 ALA MB 3.000 . 4.000 3.727 2.972 4.696 0.696 20 2 "[ . 1 -. +]" 3
50 1 19 THR H 1 21 PHE H 3.900 . 4.900 3.292 3.106 3.466 . 0 0 "[ . 1 . 2]" 3
51 1 21 PHE H 1 23 PHE H 3.900 . 4.900 3.786 3.595 4.060 . 0 0 "[ . 1 . 2]" 3
52 1 37 GLU H 1 39 LYS H 3.900 . 4.900 3.640 3.566 3.752 . 0 0 "[ . 1 . 2]" 3
53 1 35 ILE HA 1 39 LYS H 5.000 . 6.000 3.721 3.543 3.928 . 0 0 "[ . 1 . 2]" 3
54 1 36 ASN HA 1 40 GLU H 3.900 . 4.900 5.373 5.206 5.689 0.789 16 4 "[ -. 1** .+ 2]" 3
55 1 37 GLU HA 1 41 LEU H 3.900 . 4.900 5.016 4.909 5.160 0.260 3 0 "[ . 1 . 2]" 3
56 1 36 ASN HA 1 39 LYS H 3.900 . 4.900 3.420 3.179 3.730 . 0 0 "[ . 1 . 2]" 3
57 1 37 GLU HA 1 40 GLU H 3.900 . 4.900 2.919 2.796 3.112 . 0 0 "[ . 1 . 2]" 3
58 1 35 ILE HA 1 38 PHE HB2 4.000 2.100 5.000 1.754 1.627 1.938 0.473 14 0 "[ . 1 . 2]" 3
59 1 36 ASN HA 1 39 LYS HB3 4.000 2.100 5.000 4.090 3.719 4.492 . 0 0 "[ . 1 . 2]" 3
60 1 37 GLU HA 1 40 GLU HB3 3.000 . 4.000 3.178 2.602 4.715 0.715 12 1 "[ . 1 + . 2]" 3
61 1 36 ASN H 1 38 PHE H 3.900 . 4.900 2.824 2.720 3.332 . 0 0 "[ . 1 . 2]" 3
62 1 38 PHE HA 1 42 ALA H 3.900 . 4.900 5.037 4.940 5.116 0.216 8 0 "[ . 1 . 2]" 3
63 1 39 LYS HA 1 43 THR H 3.900 . 4.900 4.114 3.928 4.255 . 0 0 "[ . 1 . 2]" 3
64 1 40 GLU HA 1 44 GLN H 3.900 . 4.900 3.500 3.259 3.797 . 0 0 "[ . 1 . 2]" 3
65 1 38 PHE HA 1 41 LEU H 3.900 . 4.900 3.152 3.031 3.289 . 0 0 "[ . 1 . 2]" 3
66 1 39 LYS HA 1 42 ALA H 3.900 . 4.900 4.057 3.965 4.220 . 0 0 "[ . 1 . 2]" 3
67 1 38 PHE HA 1 41 LEU QB 3.000 . 4.000 3.354 3.260 3.433 . 0 0 "[ . 1 . 2]" 3
68 1 39 LYS HA 1 42 ALA MB 3.000 . 4.000 3.995 3.916 4.099 0.099 13 0 "[ . 1 . 2]" 3
69 1 40 GLU HA 1 43 THR HB 3.000 . 4.000 3.384 3.189 3.703 . 0 0 "[ . 1 . 2]" 3
70 1 38 PHE H 1 40 GLU H 3.900 . 4.900 3.622 3.516 3.722 . 0 0 "[ . 1 . 2]" 3
71 1 39 LYS H 1 41 LEU H 3.900 . 4.900 3.594 3.556 3.663 . 0 0 "[ . 1 . 2]" 3
72 1 40 GLU H 1 42 ALA H 3.900 . 4.900 4.959 4.898 5.023 0.123 19 0 "[ . 1 . 2]" 3
73 1 41 LEU HA 1 45 GLN H 3.900 . 4.900 3.105 2.978 3.282 . 0 0 "[ . 1 . 2]" 3
74 1 42 ALA HA 1 46 LEU H 3.900 . 4.900 2.935 2.486 3.298 . 0 0 "[ . 1 . 2]" 3
75 1 41 LEU HA 1 44 GLN H 3.900 . 4.900 3.432 3.264 3.589 . 0 0 "[ . 1 . 2]" 3
76 1 43 THR HA 1 46 LEU H 3.900 . 4.900 3.495 3.336 3.677 . 0 0 "[ . 1 . 2]" 3
77 1 41 LEU HA 1 44 GLN HB2 3.000 . 4.000 3.754 3.132 4.902 0.902 15 6 "[ . * *- +* *]" 3
78 1 42 ALA HA 1 45 GLN HB2 3.000 . 4.000 2.292 1.559 3.851 . 0 0 "[ . 1 . 2]" 3
79 1 43 THR HA 1 46 LEU HB2 3.000 . 4.000 3.067 2.680 4.760 0.760 20 1 "[ . 1 . +]" 3
80 1 41 LEU H 1 43 THR H 3.900 . 4.900 3.258 3.129 3.378 . 0 0 "[ . 1 . 2]" 3
81 1 42 ALA H 1 44 GLN H 3.900 . 4.900 4.336 4.158 4.480 . 0 0 "[ . 1 . 2]" 3
82 1 42 ALA H 1 43 THR H 3.900 . 4.900 2.566 2.519 2.610 . 0 0 "[ . 1 . 2]" 3
83 1 44 GLN HA 1 48 HIS H 5.000 . 6.000 6.697 6.151 7.498 1.498 8 11 "[**- .**+ * . ****]" 3
84 1 45 GLN HA 1 48 HIS H 3.900 . 4.900 4.688 4.453 4.996 0.096 17 0 "[ . 1 . 2]" 3
85 1 44 GLN HA 1 47 PRO QB 4.000 2.100 5.000 4.963 4.501 5.980 0.980 8 2 "[ .- + 1 . 2]" 3
86 1 45 GLN HA 1 48 HIS QB 3.000 . 4.000 3.805 2.799 4.168 0.168 6 0 "[ . 1 . 2]" 3
87 1 46 LEU H 1 48 HIS H 3.900 . 4.900 5.030 4.938 5.117 0.217 8 0 "[ . 1 . 2]" 3
88 1 48 HIS H 1 49 LEU H 3.900 . 4.900 3.850 3.737 4.029 . 0 0 "[ . 1 . 2]" 3
89 1 49 LEU H 1 50 LEU H 3.900 . 4.900 2.673 2.429 2.810 . 0 0 "[ . 1 . 2]" 3
90 1 51 LYS H 1 52 ASP H 3.900 . 4.900 4.065 4.013 4.086 . 0 0 "[ . 1 . 2]" 3
91 1 54 GLY H 1 55 SER H 3.900 . 4.900 3.826 3.332 4.029 . 0 0 "[ . 1 . 2]" 3
92 1 55 SER H 1 56 LEU H 3.900 . 4.900 4.072 4.011 4.128 . 0 0 "[ . 1 . 2]" 3
93 1 56 LEU H 1 57 ASP H 3.900 . 4.900 2.737 2.500 3.046 . 0 0 "[ . 1 . 2]" 3
94 1 58 GLU H 1 59 LYS H 3.900 . 4.900 2.398 2.328 2.526 . 0 0 "[ . 1 . 2]" 3
95 1 63 LEU H 1 64 ASP H 3.900 . 4.900 2.763 2.520 3.000 . 0 0 "[ . 1 . 2]" 3
96 1 64 ASP H 1 65 VAL H 3.900 . 4.900 2.354 2.097 2.499 . 0 0 "[ . 1 . 2]" 3
97 1 65 VAL H 1 66 ASN H 3.900 . 4.900 2.629 2.304 2.944 . 0 0 "[ . 1 . 2]" 3
98 1 56 LEU HA 1 60 MET H 3.900 . 4.900 4.211 3.673 4.970 0.070 4 0 "[ . 1 . 2]" 3
99 1 57 ASP HA 1 61 LYS H 3.900 . 4.900 3.675 3.365 4.040 . 0 0 "[ . 1 . 2]" 3
100 1 58 GLU HA 1 62 THR H 3.900 . 4.900 3.090 2.614 3.594 . 0 0 "[ . 1 . 2]" 3
101 1 56 LEU HA 1 59 LYS H 3.900 . 4.900 3.237 3.029 3.440 . 0 0 "[ . 1 . 2]" 3
102 1 57 ASP HA 1 60 MET H 3.900 . 4.900 2.747 2.498 2.901 . 0 0 "[ . 1 . 2]" 3
103 1 58 GLU HA 1 61 LYS H 3.900 . 4.900 2.967 2.717 3.307 . 0 0 "[ . 1 . 2]" 3
104 1 56 LEU HA 1 59 LYS QB 3.000 . 4.000 2.586 1.877 3.456 . 0 0 "[ . 1 . 2]" 3
105 1 57 ASP HA 1 60 MET HB2 3.000 . 4.000 2.242 1.996 2.966 . 0 0 "[ . 1 . 2]" 3
106 1 58 GLU HA 1 61 LYS HB2 3.000 . 4.000 3.176 2.159 3.930 . 0 0 "[ . 1 . 2]" 3
107 1 56 LEU H 1 58 GLU H 3.900 . 4.900 3.879 3.158 4.240 . 0 0 "[ . 1 . 2]" 3
108 1 57 ASP H 1 59 LYS H 3.900 . 4.900 3.617 3.329 3.791 . 0 0 "[ . 1 . 2]" 3
109 1 59 LYS HA 1 63 LEU H 3.900 . 4.900 3.909 3.551 4.524 . 0 0 "[ . 1 . 2]" 3
110 1 60 MET HA 1 64 ASP H 3.900 . 4.900 4.838 4.177 5.232 0.332 17 0 "[ . 1 . 2]" 3
111 1 61 LYS HA 1 65 VAL H 3.900 . 4.900 4.227 3.789 4.821 . 0 0 "[ . 1 . 2]" 3
112 1 59 LYS HA 1 62 THR H 3.900 . 4.900 3.664 3.244 4.169 . 0 0 "[ . 1 . 2]" 3
113 1 60 MET HA 1 63 LEU H 3.900 . 4.900 3.562 3.267 3.935 . 0 0 "[ . 1 . 2]" 3
114 1 61 LYS HA 1 64 ASP H 3.900 . 4.900 3.495 2.991 3.769 . 0 0 "[ . 1 . 2]" 3
115 1 59 LYS HA 1 62 THR HB 3.000 . 4.000 2.867 2.427 3.713 . 0 0 "[ . 1 . 2]" 3
116 1 60 MET HA 1 63 LEU HB2 3.000 . 4.000 2.887 2.193 3.545 . 0 0 "[ . 1 . 2]" 3
117 1 61 LYS HA 1 64 ASP HB3 3.000 . 4.000 3.894 3.168 4.427 0.427 13 0 "[ . 1 . 2]" 3
118 1 59 LYS H 1 61 LYS H 3.900 . 4.900 3.655 3.397 4.026 . 0 0 "[ . 1 . 2]" 3
119 1 60 MET H 1 62 THR H 3.900 . 4.900 3.809 3.552 4.381 . 0 0 "[ . 1 . 2]" 3
120 1 61 LYS H 1 63 LEU H 3.900 . 4.900 3.305 3.062 3.716 . 0 0 "[ . 1 . 2]" 3
121 1 62 THR HA 1 66 ASN H 3.900 . 4.900 2.920 2.483 3.200 . 0 0 "[ . 1 . 2]" 3
122 1 63 LEU HA 1 67 GLN H 3.900 . 4.900 4.775 4.386 5.079 0.179 13 0 "[ . 1 . 2]" 3
123 1 64 ASP HA 1 68 ASP H 5.000 . 6.000 5.485 4.971 6.088 0.088 14 0 "[ . 1 . 2]" 3
124 1 62 THR HA 1 65 VAL H 3.900 . 4.900 2.839 2.373 3.175 . 0 0 "[ . 1 . 2]" 3
125 1 63 LEU HA 1 66 ASN H 3.900 . 4.900 3.778 3.538 4.087 . 0 0 "[ . 1 . 2]" 3
126 1 64 ASP HA 1 67 GLN H 3.900 . 4.900 3.683 3.205 4.282 . 0 0 "[ . 1 . 2]" 3
127 1 62 THR HA 1 65 VAL HB 3.000 . 4.000 1.760 1.706 1.958 . 0 0 "[ . 1 . 2]" 3
128 1 63 LEU HA 1 66 ASN QB 4.000 2.100 5.000 3.752 3.378 4.428 . 0 0 "[ . 1 . 2]" 3
129 1 64 ASP HA 1 67 GLN HB2 3.000 . 4.000 3.139 1.798 4.777 0.777 13 4 "[ . 1 *+-. *2]" 3
130 1 62 THR H 1 64 ASP H 3.900 . 4.900 4.521 3.996 4.956 0.056 8 0 "[ . 1 . 2]" 3
131 1 63 LEU H 1 65 VAL H 3.900 . 4.900 3.447 3.310 3.710 . 0 0 "[ . 1 . 2]" 3
132 1 64 ASP H 1 66 ASN H 3.900 . 4.900 4.357 3.812 4.887 . 0 0 "[ . 1 . 2]" 3
133 1 76 TYR HA 1 80 ILE H 4.200 . 5.200 4.503 4.384 4.655 . 0 0 "[ . 1 . 2]" 3
134 1 77 TRP HA 1 81 GLY H 4.200 . 5.200 4.990 4.765 5.154 . 0 0 "[ . 1 . 2]" 3
135 1 75 GLU HA 1 78 ARG HB2 3.000 . 4.000 4.225 4.067 4.440 0.440 3 0 "[ . 1 . 2]" 3
136 1 76 TYR HA 1 79 LEU HB2 3.000 . 4.000 3.949 2.860 4.274 0.274 12 0 "[ . 1 . 2]" 3
137 1 77 TRP HA 1 80 ILE HB 3.000 . 4.000 2.214 1.986 2.388 . 0 0 "[ . 1 . 2]" 3
138 1 76 TYR H 1 78 ARG H 3.900 . 4.900 3.690 3.511 3.823 . 0 0 "[ . 1 . 2]" 3
139 1 77 TRP H 1 79 LEU H 3.900 . 4.900 3.903 3.686 4.117 . 0 0 "[ . 1 . 2]" 3
140 1 78 ARG HA 1 82 GLU H 3.900 . 4.900 4.870 4.598 5.078 0.178 13 0 "[ . 1 . 2]" 3
141 1 79 LEU HA 1 83 LEU H 4.500 . 5.000 3.413 3.095 3.734 . 0 0 "[ . 1 . 2]" 3
142 1 80 ILE HA 1 84 ALA H 4.500 . 5.000 4.626 4.304 4.936 . 0 0 "[ . 1 . 2]" 3
143 1 78 ARG HA 1 81 GLY H 4.500 . 5.000 3.573 3.316 3.821 . 0 0 "[ . 1 . 2]" 3
144 1 80 ILE HA 1 83 LEU H 3.900 . 4.900 3.901 3.454 4.182 . 0 0 "[ . 1 . 2]" 3
145 1 79 LEU HA 1 82 GLU HB2 3.000 . 4.000 1.937 1.698 2.321 . 0 0 "[ . 1 . 2]" 3
146 1 80 ILE HA 1 83 LEU HB2 3.000 . 4.000 3.752 3.007 4.081 0.081 7 0 "[ . 1 . 2]" 3
147 1 78 ARG H 1 80 ILE H 3.900 . 4.900 3.295 3.158 3.396 . 0 0 "[ . 1 . 2]" 3
148 1 79 LEU H 1 81 GLY H 3.900 . 4.900 4.323 4.172 4.430 . 0 0 "[ . 1 . 2]" 3
149 1 80 ILE H 1 82 GLU H 3.900 . 4.900 3.410 3.288 3.528 . 0 0 "[ . 1 . 2]" 3
150 1 81 GLY QA 1 85 LYS H 4.500 . 5.000 3.905 3.634 4.156 . 0 0 "[ . 1 . 2]" 3
151 1 82 GLU HA 1 86 GLU H 4.500 . 5.000 4.667 4.406 5.008 0.008 15 0 "[ . 1 . 2]" 3
152 1 83 LEU HA 1 87 VAL H 4.500 . 5.000 4.604 4.403 4.756 . 0 0 "[ . 1 . 2]" 3
153 1 81 GLY QA 1 84 ALA H 3.900 . 4.900 3.187 3.085 3.280 . 0 0 "[ . 1 . 2]" 3
154 1 82 GLU HA 1 85 LYS H 3.900 . 4.900 2.765 2.450 2.899 . 0 0 "[ . 1 . 2]" 3
155 1 83 LEU HA 1 86 GLU H 3.900 . 4.900 3.524 3.367 3.805 . 0 0 "[ . 1 . 2]" 3
156 1 81 GLY QA 1 84 ALA MB 3.000 . 4.000 2.559 2.280 2.884 . 0 0 "[ . 1 . 2]" 3
157 1 81 GLY QA 1 84 ALA MB 3.000 . 4.000 2.313 2.037 2.602 . 0 0 "[ . 1 . 2]" 3
158 1 82 GLU HA 1 85 LYS HB2 3.000 . 4.000 2.737 1.770 3.393 . 0 0 "[ . 1 . 2]" 3
159 1 83 LEU HA 1 86 GLU QB 3.000 . 4.000 4.096 3.704 4.643 0.643 9 2 "[ . +1 . -]" 3
160 1 81 GLY H 1 83 LEU H 3.900 . 4.900 4.352 3.992 4.562 . 0 0 "[ . 1 . 2]" 3
161 1 83 LEU H 1 85 LYS H 3.900 . 4.900 3.771 3.576 3.900 . 0 0 "[ . 1 . 2]" 3
162 1 84 ALA HA 1 88 ARG H 3.900 . 4.900 3.616 3.045 3.974 . 0 0 "[ . 1 . 2]" 3
163 1 85 LYS HA 1 89 LYS H 3.900 . 4.900 4.125 3.301 4.446 . 0 0 "[ . 1 . 2]" 3
164 1 86 GLU HA 1 90 GLU H 4.500 . 5.000 4.152 3.877 4.336 . 0 0 "[ . 1 . 2]" 3
165 1 84 ALA HA 1 87 VAL H 4.500 . 5.000 2.564 2.388 2.871 . 0 0 "[ . 1 . 2]" 3
166 1 85 LYS HA 1 88 ARG H 3.900 . 4.900 3.194 2.884 3.619 . 0 0 "[ . 1 . 2]" 3
167 1 86 GLU HA 1 89 LYS H 3.900 . 4.900 4.046 3.696 4.384 . 0 0 "[ . 1 . 2]" 3
168 1 84 ALA HA 1 87 VAL HB 3.000 . 4.000 2.342 1.912 3.019 . 0 0 "[ . 1 . 2]" 3
169 1 85 LYS HA 1 88 ARG HB2 3.000 . 4.000 2.522 2.050 2.984 . 0 0 "[ . 1 . 2]" 3
170 1 86 GLU HA 1 89 LYS HB3 4.500 . 5.500 5.534 4.849 5.953 0.453 19 0 "[ . 1 . 2]" 3
171 1 84 ALA H 1 86 GLU H 3.900 . 4.900 3.770 3.529 4.384 . 0 0 "[ . 1 . 2]" 3
172 1 85 LYS H 1 87 VAL H 3.900 . 4.900 3.840 3.578 4.065 . 0 0 "[ . 1 . 2]" 3
173 1 86 GLU H 1 88 ARG H 3.900 . 4.900 3.313 3.086 3.574 . 0 0 "[ . 1 . 2]" 3
174 1 87 VAL HA 1 91 LYS H 4.500 . 5.000 3.842 3.630 4.155 . 0 0 "[ . 1 . 2]" 3
175 1 88 ARG HA 1 92 ALA H 4.500 . 5.000 5.276 5.086 5.384 0.384 16 0 "[ . 1 . 2]" 3
176 1 89 LYS HA 1 93 LEU H 4.500 . 5.000 4.373 3.901 5.003 0.003 2 0 "[ . 1 . 2]" 3
177 1 87 VAL HA 1 90 GLU H 3.900 . 4.900 3.175 2.887 3.345 . 0 0 "[ . 1 . 2]" 3
178 1 88 ARG HA 1 91 LYS H 3.900 . 4.900 3.424 3.230 3.633 . 0 0 "[ . 1 . 2]" 3
179 1 89 LYS HA 1 92 ALA H 3.900 . 4.900 3.403 3.179 3.712 . 0 0 "[ . 1 . 2]" 3
180 1 87 VAL HA 1 90 GLU HB2 3.000 . 4.000 1.784 1.645 2.070 . 0 0 "[ . 1 . 2]" 3
181 1 88 ARG HA 1 91 LYS HB2 3.000 . 4.000 3.269 2.927 3.728 . 0 0 "[ . 1 . 2]" 3
182 1 89 LYS HA 1 92 ALA MB 3.000 . 4.000 3.704 3.445 3.960 . 0 0 "[ . 1 . 2]" 3
183 1 87 VAL H 1 89 LYS H 3.900 . 4.900 4.504 4.086 4.876 . 0 0 "[ . 1 . 2]" 3
184 1 88 ARG H 1 90 GLU H 3.900 . 4.900 3.275 3.029 3.614 . 0 0 "[ . 1 . 2]" 3
185 1 89 LYS H 1 91 LYS H 3.900 . 4.900 3.489 3.228 3.656 . 0 0 "[ . 1 . 2]" 3
186 1 90 GLU HA 1 94 GLY H 4.500 . 5.000 3.126 2.789 4.091 . 0 0 "[ . 1 . 2]" 3
187 1 91 LYS HA 1 95 ILE H 4.500 . 5.000 5.012 4.435 5.249 0.249 1 0 "[ . 1 . 2]" 3
188 1 92 ALA HA 1 96 ARG H 4.500 . 5.000 6.925 6.570 7.408 2.408 5 20 [*-**+***************] 3
189 1 90 GLU HA 1 93 LEU H 3.900 . 4.900 2.687 2.421 3.071 . 0 0 "[ . 1 . 2]" 3
190 1 91 LYS HA 1 94 GLY H 3.900 . 4.900 3.434 2.544 3.680 . 0 0 "[ . 1 . 2]" 3
191 1 90 GLU HA 1 93 LEU HB2 3.000 . 4.000 2.253 1.923 2.947 . 0 0 "[ . 1 . 2]" 3
192 1 92 ALA HA 1 95 ILE HB 3.000 . 4.000 5.104 4.045 5.822 1.822 5 15 "[-* *+** ***** .****2]" 3
193 1 90 GLU H 1 92 ALA H 3.900 . 4.900 4.228 4.124 4.351 . 0 0 "[ . 1 . 2]" 3
194 1 91 LYS H 1 93 LEU H 3.900 . 4.900 3.438 3.260 3.767 . 0 0 "[ . 1 . 2]" 3
195 1 92 ALA H 1 94 GLY H 3.900 . 4.900 3.535 3.264 3.745 . 0 0 "[ . 1 . 2]" 3
196 1 80 ILE H 1 81 GLY H 4.500 . 5.500 2.715 2.439 2.822 . 0 0 "[ . 1 . 2]" 3
197 1 81 GLY H 1 82 GLU H 4.500 . 5.500 2.251 2.188 2.297 . 0 0 "[ . 1 . 2]" 3
198 1 85 LYS H 1 86 GLU H 4.500 . 5.500 2.521 2.407 2.781 . 0 0 "[ . 1 . 2]" 3
199 1 86 GLU H 1 87 VAL H 4.500 . 5.500 2.225 2.061 2.577 . 0 0 "[ . 1 . 2]" 3
200 1 87 VAL H 1 88 ARG H 4.500 . 5.500 2.297 2.110 2.392 . 0 0 "[ . 1 . 2]" 3
201 1 88 ARG H 1 89 LYS H 4.500 . 5.500 2.570 2.258 2.975 . 0 0 "[ . 1 . 2]" 3
202 1 89 LYS H 1 90 GLU H 4.500 . 5.500 2.149 1.942 2.348 . 0 0 "[ . 1 . 2]" 3
203 1 90 GLU H 1 91 LYS H 4.500 . 5.500 2.371 2.315 2.519 . 0 0 "[ . 1 . 2]" 3
204 1 91 LYS H 1 92 ALA H 4.500 . 5.500 2.470 2.363 2.633 . 0 0 "[ . 1 . 2]" 3
205 1 95 ILE H 1 96 ARG H 4.500 . 5.500 3.324 3.182 3.557 . 0 0 "[ . 1 . 2]" 3
206 1 96 ARG H 1 97 LYS H 4.500 . 5.500 2.247 1.964 2.372 . 0 0 "[ . 1 . 2]" 3
207 1 2 ALA H 2 42 ALA MB 6.000 . 6.500 1.946 1.773 2.246 . 0 0 "[ . 1 . 2]" 3
208 1 2 ALA H 2 43 THR HG1 6.000 . 6.500 6.171 5.731 6.559 0.059 18 0 "[ . 1 . 2]" 3
209 1 2 ALA H 2 43 THR MG 6.000 . 7.500 5.530 5.408 5.587 . 0 0 "[ . 1 . 2]" 3
210 1 7 THR HB 2 20 PHE QB 6.000 . 6.500 3.833 3.088 4.691 . 0 0 "[ . 1 . 2]" 3
211 1 8 GLU QG 2 20 PHE QE 6.000 . 8.000 4.910 3.785 5.666 . 0 0 "[ . 1 . 2]" 3
212 1 8 GLU QG 2 20 PHE QD 6.000 . 8.000 3.419 2.347 4.130 . 0 0 "[ . 1 . 2]" 3
213 1 8 GLU QB 2 20 PHE QE 6.000 . 8.000 5.604 5.087 5.791 . 0 0 "[ . 1 . 2]" 3
214 1 8 GLU QB 2 20 PHE QD 6.000 . 8.000 3.838 3.307 4.043 . 0 0 "[ . 1 . 2]" 3
215 1 8 GLU QG 2 16 VAL MG1 6.000 . 8.000 7.895 7.326 8.110 0.110 8 0 "[ . 1 . 2]" 3
216 1 8 GLU QG 2 16 VAL MG2 6.000 . 8.000 5.996 5.345 6.346 . 0 0 "[ . 1 . 2]" 3
217 1 12 ALA MB 2 16 VAL MG1 6.000 . 8.000 2.730 2.600 2.896 . 0 0 "[ . 1 . 2]" 3
218 1 12 ALA MB 2 16 VAL MG2 6.000 . 8.000 3.135 2.954 3.267 . 0 0 "[ . 1 . 2]" 3
219 1 12 ALA MB 2 12 ALA MB 6.000 . 8.000 2.802 2.363 3.271 . 0 0 "[ . 1 . 2]" 3
220 1 14 GLU QG 2 12 ALA MB 6.000 . 8.000 6.321 4.481 6.582 . 0 0 "[ . 1 . 2]" 3
221 1 15 THR MG 2 12 ALA MB 6.000 . 6.500 2.388 2.124 2.841 . 0 0 "[ . 1 . 2]" 3
222 1 15 THR MG 2 9 LEU MD2 6.000 . 6.500 4.938 4.550 6.498 . 0 0 "[ . 1 . 2]" 3
223 1 16 VAL MG2 2 9 LEU MD1 6.000 . 6.500 1.989 1.775 3.374 . 0 0 "[ . 1 . 2]" 3
224 1 22 THR MG 2 8 GLU QG 6.000 . 6.500 6.394 5.408 6.678 0.178 17 0 "[ . 1 . 2]" 3
225 1 9 LEU HG 2 19 THR HG1 6.000 3.800 6.500 5.811 4.888 6.452 . 0 0 "[ . 1 . 2]" 3
226 1 9 LEU HG 2 19 THR MG 6.000 . 7.500 6.455 5.590 6.866 . 0 0 "[ . 1 . 2]" 3
227 1 9 LEU QB 2 19 THR MG 6.000 . 7.500 5.464 4.695 6.222 . 0 0 "[ . 1 . 2]" 3
228 1 11 ALA MB 2 16 VAL MG1 6.500 . 8.000 6.177 5.995 6.338 . 0 0 "[ . 1 . 2]" 3
229 1 11 ALA MB 2 16 VAL MG2 6.500 . 8.000 5.665 4.961 5.959 . 0 0 "[ . 1 . 2]" 3
230 1 11 ALA MB 2 15 THR MG 6.000 . 7.500 2.407 2.218 2.648 . 0 0 "[ . 1 . 2]" 3
231 1 12 ALA MB 2 15 THR HG1 6.000 . 6.500 3.775 3.586 4.039 . 0 0 "[ . 1 . 2]" 3
232 1 13 ILE HB 2 15 THR MG 6.000 . 7.500 6.188 5.927 6.439 . 0 0 "[ . 1 . 2]" 3
233 1 13 ILE HB 2 15 THR HG1 6.500 . 8.000 8.014 7.883 8.064 0.064 19 0 "[ . 1 . 2]" 3
234 1 15 THR HB 2 11 ALA MB 6.000 . 6.500 4.553 4.343 4.732 . 0 0 "[ . 1 . 2]" 3
235 1 15 THR MG 2 11 ALA MB 6.000 . 7.500 2.408 2.224 2.657 . 0 0 "[ . 1 . 2]" 3
236 1 15 THR HB 2 9 LEU MD2 6.000 . 7.500 6.021 5.577 7.648 0.148 14 0 "[ . 1 . 2]" 3
237 1 15 THR HB 2 9 LEU MD1 6.000 . 7.500 7.210 7.002 7.656 0.156 20 0 "[ . 1 . 2]" 3
238 1 16 VAL HB 2 10 GLU QB 6.000 . 7.500 7.515 7.199 7.633 0.133 18 0 "[ . 1 . 2]" 3
239 1 84 ALA MB 2 10 GLU QB 6.500 . 8.500 7.984 7.773 8.347 . 0 0 "[ . 1 . 2]" 3
240 1 84 ALA MB 2 10 GLU QG 6.500 . 8.500 8.725 8.529 8.902 0.402 8 0 "[ . 1 . 2]" 3
241 1 10 GLU QB 2 84 ALA MB 6.500 . 8.500 8.042 7.814 8.409 . 0 0 "[ . 1 . 2]" 3
242 1 10 GLU QG 2 84 ALA MB 6.500 . 8.500 8.788 8.625 8.974 0.474 8 0 "[ . 1 . 2]" 3
243 1 75 GLU QG 2 92 ALA MB 6.500 . 8.500 8.257 7.774 8.648 0.148 2 0 "[ . 1 . 2]" 3
244 1 75 GLU QB 2 92 ALA MB 6.500 . 8.500 8.215 7.727 8.478 . 0 0 "[ . 1 . 2]" 3
245 1 80 ILE HB 2 87 VAL HB 7.000 . 8.500 3.884 2.953 5.250 . 0 0 "[ . 1 . 2]" 3
246 1 82 GLU QG 2 84 ALA MB 6.500 . 8.500 6.656 6.238 7.708 . 0 0 "[ . 1 . 2]" 3
247 1 82 GLU HB3 2 87 VAL MG1 6.000 . 7.500 6.302 5.801 7.169 . 0 0 "[ . 1 . 2]" 3
248 1 82 GLU HB3 2 87 VAL MG2 6.500 . 8.000 5.989 5.555 6.431 . 0 0 "[ . 1 . 2]" 3
249 1 82 GLU QG 2 87 VAL HB 6.000 . 7.500 6.734 6.204 7.511 0.011 20 0 "[ . 1 . 2]" 3
250 1 80 ILE HB 2 87 VAL MG2 6.000 . 7.500 4.748 3.164 5.277 . 0 0 "[ . 1 . 2]" 3
251 1 80 ILE MG 2 87 VAL MG2 6.000 . 7.500 5.256 4.215 5.695 . 0 0 "[ . 1 . 2]" 3
252 1 78 ARG QD 2 91 LYS QD 6.000 . 7.500 7.462 7.040 7.610 0.110 16 0 "[ . 1 . 2]" 3
253 1 77 TRP HD1 2 91 LYS QD 6.000 . 7.500 5.290 4.975 5.822 . 0 0 "[ . 1 . 2]" 3
254 1 77 TRP HD1 2 91 LYS QZ 6.000 . 7.500 6.435 5.930 7.048 . 0 0 "[ . 1 . 2]" 3
255 1 77 TRP HE1 2 91 LYS QD 6.000 . 7.500 6.272 5.852 6.845 . 0 0 "[ . 1 . 2]" 3
256 1 77 TRP HE1 2 91 LYS QZ 6.000 . 7.500 7.061 6.615 7.518 0.018 4 0 "[ . 1 . 2]" 3
257 1 77 TRP HZ2 2 91 LYS QB 6.000 . 7.500 6.346 6.024 7.235 . 0 0 "[ . 1 . 2]" 3
258 1 84 ALA MB 2 84 ALA MB 6.000 . 7.500 3.761 2.676 4.420 . 0 0 "[ . 1 . 2]" 3
259 1 42 ALA MB 2 2 ALA H 6.000 . 6.500 1.941 1.776 2.234 . 0 0 "[ . 1 . 2]" 3
260 1 43 THR HG1 2 2 ALA H 6.000 . 6.500 6.182 5.830 6.523 0.023 18 0 "[ . 1 . 2]" 3
261 1 43 THR MG 2 2 ALA H 6.000 . 7.500 5.549 5.408 5.600 . 0 0 "[ . 1 . 2]" 3
262 1 20 PHE HB2 2 7 THR HB 6.000 . 6.500 4.374 3.377 5.408 . 0 0 "[ . 1 . 2]" 3
263 1 20 PHE QE 2 8 GLU QG 6.000 . 8.000 4.887 3.783 5.646 . 0 0 "[ . 1 . 2]" 3
264 1 20 PHE QD 2 8 GLU QG 6.000 . 8.000 3.428 2.381 4.134 . 0 0 "[ . 1 . 2]" 3
265 1 20 PHE QE 2 8 GLU QB 6.000 . 8.000 5.557 5.031 5.759 . 0 0 "[ . 1 . 2]" 3
266 1 20 PHE QD 2 8 GLU QB 6.000 . 8.000 3.797 3.251 4.026 . 0 0 "[ . 1 . 2]" 3
267 1 16 VAL MG1 2 8 GLU QG 6.000 . 8.000 7.891 7.306 8.099 0.099 8 0 "[ . 1 . 2]" 3
268 1 16 VAL MG2 2 8 GLU QG 6.000 . 8.000 5.992 5.305 6.341 . 0 0 "[ . 1 . 2]" 3
269 1 16 VAL MG1 2 12 ALA MB 6.000 . 8.000 2.729 2.604 2.903 . 0 0 "[ . 1 . 2]" 3
270 1 16 VAL MG2 2 12 ALA MB 6.000 . 8.000 3.125 2.944 3.262 . 0 0 "[ . 1 . 2]" 3
271 1 12 ALA MB 2 14 GLU QG 6.000 . 8.000 6.307 4.455 6.571 . 0 0 "[ . 1 . 2]" 3
272 1 12 ALA MB 2 15 THR MG 6.000 . 6.500 2.341 2.057 2.786 . 0 0 "[ . 1 . 2]" 3
273 1 9 LEU MD2 2 15 THR MG 6.000 . 6.500 4.910 4.531 6.469 . 0 0 "[ . 1 . 2]" 3
274 1 9 LEU MD1 2 16 VAL MG2 6.000 . 6.500 1.974 1.771 3.379 . 0 0 "[ . 1 . 2]" 3
275 1 8 GLU QG 2 22 THR MG 6.000 . 6.500 6.423 5.427 6.635 0.135 11 0 "[ . 1 . 2]" 3
276 1 20 PHE HB3 2 7 THR HB 7.000 . 7.500 4.469 3.647 5.269 . 0 0 "[ . 1 . 2]" 3
277 1 19 THR HG1 2 9 LEU HG 6.000 3.800 6.500 5.875 4.923 6.510 0.010 14 0 "[ . 1 . 2]" 3
278 1 19 THR MG 2 9 LEU HG 6.000 . 7.500 6.457 5.587 6.833 . 0 0 "[ . 1 . 2]" 3
279 1 19 THR MG 2 9 LEU QB 6.000 . 7.500 5.474 4.716 6.224 . 0 0 "[ . 1 . 2]" 3
280 1 16 VAL MG1 2 11 ALA MB 6.500 . 8.000 6.179 5.987 6.327 . 0 0 "[ . 1 . 2]" 3
281 1 16 VAL MG2 2 11 ALA MB 6.500 . 8.000 5.662 4.945 5.971 . 0 0 "[ . 1 . 2]" 3
282 1 15 THR HG1 2 12 ALA MB 6.000 . 6.500 3.771 3.613 3.996 . 0 0 "[ . 1 . 2]" 3
283 1 15 THR MG 2 13 ILE HB 6.000 . 7.500 6.219 5.940 6.480 . 0 0 "[ . 1 . 2]" 3
284 1 15 THR HG1 2 13 ILE HB 6.500 . 8.000 7.996 7.828 8.064 0.064 19 0 "[ . 1 . 2]" 3
285 1 11 ALA MB 2 15 THR HB 6.000 . 6.500 4.576 4.388 4.752 . 0 0 "[ . 1 . 2]" 3
286 1 9 LEU MD2 2 15 THR HB 6.000 . 7.500 6.033 5.606 7.673 0.173 14 0 "[ . 1 . 2]" 3
287 1 9 LEU MD1 2 15 THR HB 6.000 . 7.500 7.212 7.016 7.692 0.192 20 0 "[ . 1 . 2]" 3
288 1 10 GLU QB 2 16 VAL HB 6.000 . 7.500 7.509 7.170 7.627 0.127 3 0 "[ . 1 . 2]" 3
289 1 92 ALA MB 2 75 GLU QG 6.500 . 8.500 8.232 7.678 8.649 0.149 2 0 "[ . 1 . 2]" 3
290 1 92 ALA MB 2 75 GLU QB 6.500 . 8.500 8.174 7.633 8.474 . 0 0 "[ . 1 . 2]" 3
291 1 87 VAL HB 2 80 ILE HB 7.000 . 8.500 3.971 3.200 5.327 . 0 0 "[ . 1 . 2]" 3
292 1 84 ALA MB 2 82 GLU QG 6.500 . 8.500 6.625 6.208 7.618 . 0 0 "[ . 1 . 2]" 3
293 1 87 VAL MG1 2 82 GLU HB3 6.000 . 7.500 6.399 5.856 7.228 . 0 0 "[ . 1 . 2]" 3
294 1 87 VAL MG2 2 82 GLU HB3 6.500 . 8.000 6.074 5.613 6.497 . 0 0 "[ . 1 . 2]" 3
295 1 87 VAL HB 2 82 GLU QG 6.000 . 7.500 6.754 6.259 7.485 . 0 0 "[ . 1 . 2]" 3
296 1 87 VAL MG2 2 80 ILE HB 6.000 . 7.500 4.824 3.230 5.318 . 0 0 "[ . 1 . 2]" 3
297 1 87 VAL MG2 2 80 ILE MG 6.000 . 7.500 5.314 4.266 5.725 . 0 0 "[ . 1 . 2]" 3
298 1 91 LYS QD 2 78 ARG QD 6.000 . 7.500 7.462 7.037 7.621 0.121 16 0 "[ . 1 . 2]" 3
299 1 91 LYS QD 2 77 TRP HD1 6.000 . 7.500 5.319 4.990 5.872 . 0 0 "[ . 1 . 2]" 3
300 1 91 LYS QZ 2 77 TRP HD1 6.000 . 7.500 6.474 5.991 7.098 . 0 0 "[ . 1 . 2]" 3
301 1 91 LYS QD 2 77 TRP HE1 6.000 . 7.500 6.259 5.842 6.844 . 0 0 "[ . 1 . 2]" 3
302 1 91 LYS QZ 2 77 TRP HE1 6.000 . 7.500 7.056 6.606 7.519 0.019 4 0 "[ . 1 . 2]" 3
303 1 91 LYS QB 2 77 TRP HZ2 6.000 . 7.500 6.326 5.982 7.217 . 0 0 "[ . 1 . 2]" 3
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