NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
446756 |
2kmt   |
16135 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kmt
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 1592
_Distance_constraint_stats_list.Viol_count 8736
_Distance_constraint_stats_list.Viol_total 36940.309
_Distance_constraint_stats_list.Viol_max 3.027
_Distance_constraint_stats_list.Viol_rms 0.2457
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0580
_Distance_constraint_stats_list.Viol_average_violations_only 0.2114
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 4.369 0.302 9 0 "[ . 1 . 2]"
1 3 GLN 1.106 0.093 5 0 "[ . 1 . 2]"
1 4 PHE 27.651 2.343 20 17 "[** ******** **-***+]"
1 5 THR 7.258 0.257 20 0 "[ . 1 . 2]"
1 6 LEU 1.553 0.257 20 0 "[ . 1 . 2]"
1 7 TYR 23.485 0.355 12 0 "[ . 1 . 2]"
1 8 LYS 4.712 0.325 5 0 "[ . 1 . 2]"
1 9 ASN 5.968 0.186 16 0 "[ . 1 . 2]"
1 10 LYS 14.446 0.395 10 0 "[ . 1 . 2]"
1 11 ASP 33.081 2.686 13 11 "[ *- .** 1 +**** **]"
1 12 LYS 3.736 0.211 3 0 "[ . 1 . 2]"
1 13 SER 0.002 0.001 8 0 "[ . 1 . 2]"
1 14 SER 7.725 0.251 5 0 "[ . 1 . 2]"
1 15 ALA 9.418 0.381 18 0 "[ . 1 . 2]"
1 16 LYS 33.237 1.689 20 20 [*****-*************+]
1 17 THR 50.354 1.689 20 20 [******************-+]
1 18 TYR 10.339 0.381 18 0 "[ . 1 . 2]"
1 19 PRO 16.979 0.324 16 0 "[ . 1 . 2]"
1 20 TYR 16.424 0.355 12 0 "[ . 1 . 2]"
1 21 PHE 12.918 0.335 2 0 "[ . 1 . 2]"
1 22 VAL 19.597 1.930 3 3 "[ +*. 1 - . 2]"
1 23 ASP 4.503 0.275 9 0 "[ . 1 . 2]"
1 24 VAL 22.738 0.964 10 8 "[ ***. +* **.- 2]"
1 25 GLN 5.494 0.297 18 0 "[ . 1 . 2]"
1 26 SER 16.659 0.353 16 0 "[ . 1 . 2]"
1 27 ASP 1.321 0.084 3 0 "[ . 1 . 2]"
1 28 LEU 6.149 0.303 3 0 "[ . 1 . 2]"
1 29 LEU 5.575 0.240 6 0 "[ . 1 . 2]"
1 30 ASP 2.084 0.084 3 0 "[ . 1 . 2]"
1 31 ASN 3.676 0.244 12 0 "[ . 1 . 2]"
1 32 LEU 11.202 0.302 9 0 "[ . 1 . 2]"
1 33 ASN 4.716 0.301 12 0 "[ . 1 . 2]"
1 34 THR 9.287 0.244 12 0 "[ . 1 . 2]"
1 35 ARG 1.455 0.113 18 0 "[ . 1 . 2]"
1 36 LEU 9.679 0.353 16 0 "[ . 1 . 2]"
1 37 VAL 15.517 1.197 5 3 "[ + 1 -* 2]"
1 38 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PRO 14.240 1.414 15 3 "[ * 1 +- 2]"
1 40 LEU 11.400 0.265 6 0 "[ . 1 . 2]"
1 41 THR 32.055 1.103 5 20 [****+*************-*]
1 42 PRO 10.674 1.598 6 1 "[ .+ 1 . 2]"
1 43 ILE 162.185 2.938 8 20 [**-****+************]
1 44 GLU 17.398 0.677 12 19 "[**-** *****+********]"
1 45 LEU 0.229 0.122 4 0 "[ . 1 . 2]"
1 46 LEU 4.195 0.823 14 2 "[ . - 1 +. 2]"
1 47 ASP 8.754 0.234 14 0 "[ . 1 . 2]"
1 48 LYS 115.670 2.938 8 20 [*****-*+************]
1 49 LYS 0.830 0.072 11 0 "[ . 1 . 2]"
1 50 ALA 0.038 0.014 6 0 "[ . 1 . 2]"
1 54 LEU 19.757 1.617 5 16 "[* *+** ******* -***]"
1 56 PRO 11.788 1.486 18 8 "[ * * * -*. +**]"
1 57 THR 84.742 2.790 6 20 [*****+********-*****]
1 58 ILE 73.465 2.633 4 20 [***+************-***]
1 59 HIS 10.770 1.214 7 2 "[ . + 1 . - 2]"
1 60 ILE 75.887 2.633 4 20 [***+************-***]
1 61 ASP 1.088 0.088 14 0 "[ . 1 . 2]"
1 62 GLU 2.069 2.008 15 1 "[ . 1 + 2]"
1 63 GLY 2.419 1.365 15 1 "[ . 1 + 2]"
1 64 ASP 3.607 0.670 6 2 "[ .+ -1 . 2]"
1 65 PHE 7.073 1.345 6 4 "[ -+ 1 . * *]"
1 66 ILE 60.639 2.790 6 20 [**-**+**************]
1 67 MET 2.560 0.151 13 0 "[ . 1 . 2]"
1 68 LEU 5.723 0.159 5 0 "[ . 1 . 2]"
1 69 THR 42.295 1.988 3 19 "[**+**** ****-*******]"
1 71 GLN 3.104 0.124 19 0 "[ . 1 . 2]"
1 72 MET 1.943 0.124 19 0 "[ . 1 . 2]"
1 73 THR 9.251 1.414 15 3 "[ * 1 +* 2]"
1 74 SER 2.558 0.093 16 0 "[ . 1 . 2]"
1 75 VAL 9.169 0.332 1 0 "[ . 1 . 2]"
1 76 PRO 1.310 0.098 1 0 "[ . 1 . 2]"
1 77 VAL 2.442 0.100 9 0 "[ . 1 . 2]"
1 78 LYS 11.599 0.216 16 0 "[ . 1 . 2]"
1 79 ILE 41.769 2.686 13 11 "[ *- .** 1 +**** **]"
1 80 LEU 5.510 0.215 13 0 "[ . 1 . 2]"
1 81 SER 0.285 0.115 5 0 "[ . 1 . 2]"
1 82 GLU 7.891 0.338 14 0 "[ . 1 . 2]"
1 83 PRO 2.584 0.194 12 0 "[ . 1 . 2]"
1 84 VAL 5.259 0.211 3 0 "[ . 1 . 2]"
1 85 ASN 1.170 0.087 20 0 "[ . 1 . 2]"
1 86 GLU 3.632 0.169 4 0 "[ . 1 . 2]"
1 87 LEU 57.089 1.869 8 19 [*******+-*****.*****]
1 88 SER 17.297 0.378 2 0 "[ . 1 . 2]"
1 89 THR 39.989 2.229 5 20 [-***+***************]
1 90 PHE 22.726 2.229 5 4 "[ + - 1 . **2]"
1 91 ARG 33.795 1.068 17 16 "[-***.** ********+ *]"
1 92 ASN 5.151 0.244 5 0 "[ . 1 . 2]"
1 93 GLU 5.234 0.277 3 0 "[ . 1 . 2]"
1 94 ILE 53.176 2.343 20 20 [***************-***+]
1 95 ILE 0.930 0.110 11 0 "[ . 1 . 2]"
1 96 ALA 5.594 0.244 5 0 "[ . 1 . 2]"
1 97 ALA 12.661 0.440 19 0 "[ . 1 . 2]"
1 98 ILE 29.911 1.988 3 5 "[ *+ . 1 - .** 2]"
1 99 ASP 13.767 1.098 4 6 "[ +.- **1 *. * 2]"
1 100 PHE 8.386 0.254 19 0 "[ . 1 . 2]"
1 101 LEU 26.351 1.724 11 6 "[ **.* 1+ .*- 2]"
1 102 ILE 39.733 2.282 16 12 "[ **.****1***-.+* 2]"
1 103 THR 50.546 2.294 11 19 [**********+**-*****2]
1 104 GLY 0.789 0.082 12 0 "[ . 1 . 2]"
1 105 ILE 24.472 2.294 11 14 "[****** *+ *-* ***2]"
2 2 SER 4.913 0.320 3 0 "[ . 1 . 2]"
2 3 GLN 0.988 0.095 19 0 "[ . 1 . 2]"
2 4 PHE 29.559 2.164 12 15 "[ * ****-1*+***** **]"
2 5 THR 7.263 0.181 6 0 "[ . 1 . 2]"
2 6 LEU 1.329 0.101 6 0 "[ . 1 . 2]"
2 7 TYR 25.149 0.386 7 0 "[ . 1 . 2]"
2 8 LYS 4.995 0.363 11 0 "[ . 1 . 2]"
2 9 ASN 6.893 0.190 6 0 "[ . 1 . 2]"
2 10 LYS 13.987 0.378 4 0 "[ . 1 . 2]"
2 11 ASP 36.616 2.654 6 12 "[ * .+ * ** **** -**]"
2 12 LYS 3.947 0.244 7 0 "[ . 1 . 2]"
2 13 SER 0.118 0.028 15 0 "[ . 1 . 2]"
2 14 SER 7.694 0.320 8 0 "[ . 1 . 2]"
2 15 ALA 10.125 0.386 4 0 "[ . 1 . 2]"
2 16 LYS 32.353 2.091 12 19 "[*********-*+ *******]"
2 17 THR 51.856 2.091 12 20 [***********+-*******]
2 18 TYR 10.552 0.386 4 0 "[ . 1 . 2]"
2 19 PRO 17.534 0.333 9 0 "[ . 1 . 2]"
2 20 TYR 16.559 0.386 7 0 "[ . 1 . 2]"
2 21 PHE 13.322 0.311 8 0 "[ . 1 . 2]"
2 22 VAL 21.979 1.914 18 5 "[* **. - . + 2]"
2 23 ASP 4.720 0.278 18 0 "[ . 1 . 2]"
2 24 VAL 25.078 2.045 20 8 "[* **. * * *- +]"
2 25 GLN 5.522 0.296 17 0 "[ . 1 . 2]"
2 26 SER 15.813 0.326 16 0 "[ . 1 . 2]"
2 27 ASP 1.185 0.076 6 0 "[ . 1 . 2]"
2 28 LEU 6.238 0.305 14 0 "[ . 1 . 2]"
2 29 LEU 5.121 0.190 14 0 "[ . 1 . 2]"
2 30 ASP 2.075 0.111 10 0 "[ . 1 . 2]"
2 31 ASN 4.118 0.341 9 0 "[ . 1 . 2]"
2 32 LEU 12.142 0.338 1 0 "[ . 1 . 2]"
2 33 ASN 5.259 0.338 1 0 "[ . 1 . 2]"
2 34 THR 9.122 0.341 9 0 "[ . 1 . 2]"
2 35 ARG 1.188 0.105 4 0 "[ . 1 . 2]"
2 36 LEU 8.501 0.326 16 0 "[ . 1 . 2]"
2 37 VAL 16.719 1.341 20 5 "[ . ** -*. +]"
2 38 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 PRO 17.003 2.282 20 5 "[ . *- **. +]"
2 40 LEU 11.833 0.292 15 0 "[ . 1 . 2]"
2 41 THR 31.379 1.689 13 20 [**********-*+*******]
2 42 PRO 17.607 1.719 17 6 "[ . 1** -.*+ *]"
2 43 ILE 165.210 3.027 19 20 [*****************-+*]
2 44 GLU 12.846 0.684 18 13 "[********** * . +-2]"
2 45 LEU 0.476 0.176 13 0 "[ . 1 . 2]"
2 46 LEU 1.608 0.490 10 0 "[ . 1 . 2]"
2 47 ASP 8.535 0.227 11 0 "[ . 1 . 2]"
2 48 LYS 80.627 3.027 19 14 "[********** * . -*+2]"
2 49 LYS 0.666 0.067 15 0 "[ . 1 . 2]"
2 50 ALA 0.014 0.008 7 0 "[ . 1 . 2]"
2 54 LEU 16.035 1.459 4 15 "[- *+*** ** **** ***]"
2 56 PRO 9.395 1.480 7 7 "[ **.*+ *1 . -* 2]"
2 57 THR 82.328 2.710 9 20 [********+********-**]
2 58 ILE 74.565 2.649 14 20 [***-*********+******]
2 59 HIS 11.050 0.944 3 3 "[ + . 1 . - *]"
2 60 ILE 74.908 2.649 14 20 [******-******+******]
2 61 ASP 1.055 0.079 3 0 "[ . 1 . 2]"
2 62 GLU 2.143 2.019 15 1 "[ . 1 + 2]"
2 63 GLY 2.566 1.589 15 1 "[ . 1 + 2]"
2 64 ASP 2.984 0.440 17 0 "[ . 1 . 2]"
2 65 PHE 28.807 2.098 11 8 "[ *. 1+***.*- *]"
2 66 ILE 74.181 2.710 9 20 [********+********-**]
2 67 MET 2.663 0.135 9 0 "[ . 1 . 2]"
2 68 LEU 6.118 0.175 4 0 "[ . 1 . 2]"
2 69 THR 39.571 2.105 8 19 "[******-+** *********]"
2 71 GLN 3.789 0.288 20 0 "[ . 1 . 2]"
2 72 MET 1.884 0.123 4 0 "[ . 1 . 2]"
2 73 THR 14.848 2.282 20 5 "[ . ** **. +]"
2 74 SER 2.673 0.112 8 0 "[ . 1 . 2]"
2 75 VAL 9.143 0.332 7 0 "[ . 1 . 2]"
2 76 PRO 1.007 0.066 11 0 "[ . 1 . 2]"
2 77 VAL 2.140 0.082 8 0 "[ . 1 . 2]"
2 78 LYS 11.605 0.257 6 0 "[ . 1 . 2]"
2 79 ILE 44.263 2.654 6 12 "[ * .+ * ** **** -**]"
2 80 LEU 5.311 0.248 7 0 "[ . 1 . 2]"
2 81 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 82 GLU 8.173 0.341 14 0 "[ . 1 . 2]"
2 83 PRO 2.178 0.162 2 0 "[ . 1 . 2]"
2 84 VAL 6.436 0.244 7 0 "[ . 1 . 2]"
2 85 ASN 1.235 0.100 6 0 "[ . 1 . 2]"
2 86 GLU 3.729 0.148 1 0 "[ . 1 . 2]"
2 87 LEU 57.993 1.911 11 20 [**-*******+*********]
2 88 SER 17.366 0.382 19 0 "[ . 1 . 2]"
2 89 THR 40.414 2.274 15 20 [*-************+*****]
2 90 PHE 22.507 2.274 15 4 "[ . 1* *+- 2]"
2 91 ARG 34.351 1.059 7 16 "[*-****+*** ** . ****]"
2 92 ASN 5.362 0.238 20 0 "[ . 1 . 2]"
2 93 GLU 5.570 0.280 3 0 "[ . 1 . 2]"
2 94 ILE 59.206 2.164 12 20 [***********+*****-**]
2 95 ILE 0.723 0.098 19 0 "[ . 1 . 2]"
2 96 ALA 5.608 0.238 20 0 "[ . 1 . 2]"
2 97 ALA 11.890 0.302 19 0 "[ . 1 . 2]"
2 98 ILE 32.882 2.105 8 5 "[ * . + 1 - * * 2]"
2 99 ASP 15.192 1.621 19 5 "[ . * 1- .* +*]"
2 100 PHE 8.351 0.508 7 1 "[ . + 1 . 2]"
2 101 LEU 26.471 1.720 15 6 "[ * . ** + - *2]"
2 102 ILE 48.749 1.852 7 15 "[ * ***+* ** * **-***]"
2 103 THR 57.238 2.155 11 20 [**********+*********]
2 104 GLY 0.890 0.088 4 0 "[ . 1 . 2]"
2 105 ILE 21.700 2.155 11 11 "[*** . *-+* ** * *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 2 SER HA 1 2 SER QB 2.680 . 2.680 2.337 2.190 2.552 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER QB 1 32 LEU H 3.870 . 3.870 4.088 3.971 4.172 0.302 9 0 "[ . 1 . 2]" 1
3 1 3 GLN HA 1 24 VAL HA 3.984 . 3.984 3.874 2.870 4.077 0.093 5 0 "[ . 1 . 2]" 1
4 1 3 GLN QB 1 24 VAL HA . . 4.069 3.594 2.406 4.158 0.089 11 0 "[ . 1 . 2]" 1
5 1 4 PHE H 1 5 THR H 3.665 . 3.665 2.770 2.492 3.069 . 0 0 "[ . 1 . 2]" 1
6 1 4 PHE HA 1 4 PHE QD 3.209 . 3.209 2.024 1.849 2.396 . 0 0 "[ . 1 . 2]" 1
7 1 4 PHE HA 1 22 VAL QG . . 3.218 3.082 2.367 3.352 0.134 3 0 "[ . 1 . 2]" 1
8 1 4 PHE QB 1 22 VAL QG . . 4.756 4.537 3.891 4.749 . 0 0 "[ . 1 . 2]" 1
9 1 4 PHE QB 1 88 SER HA . . 4.117 2.642 1.865 3.646 . 0 0 "[ . 1 . 2]" 1
10 1 4 PHE QD 1 22 VAL QG 4.154 . 4.154 3.488 2.661 4.166 0.012 17 0 "[ . 1 . 2]" 1
11 1 4 PHE QD 1 88 SER HA 3.794 . 3.794 3.819 3.796 3.874 0.080 14 0 "[ . 1 . 2]" 1
12 1 4 PHE QD 1 94 ILE QG 3.624 . 3.624 2.758 1.944 3.631 0.007 10 0 "[ . 1 . 2]" 1
13 1 4 PHE QE 1 24 VAL HB 4.132 . 4.132 3.920 2.575 4.194 0.062 18 0 "[ . 1 . 2]" 1
14 1 4 PHE QE 1 94 ILE QG 2.951 . 2.951 4.238 2.565 5.294 2.343 20 17 "[** ******** **-***+]" 1
15 1 4 PHE QE 1 98 ILE MD 5.830 . 5.830 5.690 4.662 5.863 0.033 4 0 "[ . 1 . 2]" 1
16 1 5 THR H 1 5 THR HA . . 3.093 2.935 2.866 2.953 . 0 0 "[ . 1 . 2]" 1
17 1 5 THR H 1 5 THR HB . . 2.796 2.907 2.805 2.947 0.151 7 0 "[ . 1 . 2]" 1
18 1 5 THR H 1 23 ASP QB 4.632 . 4.632 3.240 2.801 3.799 . 0 0 "[ . 1 . 2]" 1
19 1 5 THR HA 1 5 THR MG . . 3.110 2.238 2.159 2.396 . 0 0 "[ . 1 . 2]" 1
20 1 5 THR HA 1 6 LEU H . . 3.472 2.369 2.288 2.459 . 0 0 "[ . 1 . 2]" 1
21 1 5 THR HA 1 6 LEU QB 4.851 . 4.851 4.102 4.001 4.595 . 0 0 "[ . 1 . 2]" 1
22 1 5 THR HA 1 86 GLU HA . . 3.477 2.978 2.363 3.350 . 0 0 "[ . 1 . 2]" 1
23 1 5 THR HB 1 7 TYR QB 4.212 . 4.212 4.337 4.290 4.388 0.176 20 0 "[ . 1 . 2]" 1
24 1 5 THR MG 1 6 LEU H 3.899 . 3.899 1.957 1.793 2.067 0.007 20 0 "[ . 1 . 2]" 1
25 1 5 THR MG 1 6 LEU QB 3.714 . 3.714 3.674 3.556 3.971 0.257 20 0 "[ . 1 . 2]" 1
26 1 5 THR MG 1 83 PRO HA 4.536 . 4.536 3.911 3.406 4.189 . 0 0 "[ . 1 . 2]" 1
27 1 5 THR MG 1 83 PRO QB 5.142 . 5.142 3.166 2.284 4.081 . 0 0 "[ . 1 . 2]" 1
28 1 5 THR MG 1 83 PRO QG 3.345 . 3.345 3.457 3.390 3.539 0.194 12 0 "[ . 1 . 2]" 1
29 1 6 LEU HA 1 6 LEU QD 3.667 . 3.667 2.325 1.909 3.319 . 0 0 "[ . 1 . 2]" 1
30 1 6 LEU HA 1 7 TYR H 4.040 . 4.040 2.358 2.316 2.425 . 0 0 "[ . 1 . 2]" 1
31 1 6 LEU HA 1 22 VAL HA 3.969 . 3.969 3.935 3.575 4.024 0.055 12 0 "[ . 1 . 2]" 1
32 1 6 LEU QB 1 20 TYR QD 5.083 . 5.083 4.467 3.319 5.060 . 0 0 "[ . 1 . 2]" 1
33 1 6 LEU QB 1 84 VAL QG . . 4.124 3.017 2.620 3.647 . 0 0 "[ . 1 . 2]" 1
34 1 6 LEU QB 1 85 ASN H 3.916 . 3.916 2.848 2.291 4.003 0.087 20 0 "[ . 1 . 2]" 1
35 1 6 LEU QB 1 85 ASN QB . . 4.087 2.676 2.213 4.122 0.035 20 0 "[ . 1 . 2]" 1
36 1 6 LEU QB 1 87 LEU HG 4.699 . 4.699 3.010 1.780 4.708 0.020 15 0 "[ . 1 . 2]" 1
37 1 6 LEU QD 1 7 TYR H 6.000 . 6.000 3.349 2.984 4.564 . 0 0 "[ . 1 . 2]" 1
38 1 6 LEU QD 1 20 TYR QB . . 4.163 2.583 2.042 4.223 0.060 20 0 "[ . 1 . 2]" 1
39 1 6 LEU QD 1 20 TYR QD 4.234 . 4.234 2.182 1.826 3.362 . 0 0 "[ . 1 . 2]" 1
40 1 6 LEU QD 1 22 VAL QG . . 3.636 3.248 2.417 3.729 0.093 20 0 "[ . 1 . 2]" 1
41 1 6 LEU QD 1 40 LEU QD 4.370 . 4.370 2.185 1.790 3.392 0.010 9 0 "[ . 1 . 2]" 1
42 1 6 LEU QD 1 60 ILE MD 4.020 . 4.020 1.793 1.759 1.924 0.041 18 0 "[ . 1 . 2]" 1
43 1 6 LEU QD 1 62 GLU QG . . 3.946 3.511 2.639 3.966 0.020 19 0 "[ . 1 . 2]" 1
44 1 6 LEU QD 1 84 VAL QG 3.509 . 3.509 1.991 1.781 2.727 0.019 20 0 "[ . 1 . 2]" 1
45 1 6 LEU QD 1 85 ASN QB . . 3.552 1.927 1.774 2.558 0.026 20 0 "[ . 1 . 2]" 1
46 1 6 LEU QD 1 87 LEU QD 4.477 . 4.477 2.104 1.781 2.598 0.019 17 0 "[ . 1 . 2]" 1
47 1 7 TYR H 1 23 ASP H 3.621 . 3.621 3.842 3.801 3.896 0.275 9 0 "[ . 1 . 2]" 1
48 1 7 TYR HA 1 8 LYS H 4.530 . 4.530 2.046 2.016 2.089 . 0 0 "[ . 1 . 2]" 1
49 1 7 TYR HA 1 8 LYS QB . . 3.977 3.993 3.921 4.033 0.056 16 0 "[ . 1 . 2]" 1
50 1 7 TYR HA 1 20 TYR QD 4.558 2.800 4.558 4.861 4.792 4.913 0.355 12 0 "[ . 1 . 2]" 1
51 1 7 TYR HA 1 84 VAL QG . . 4.009 3.644 3.488 3.784 . 0 0 "[ . 1 . 2]" 1
52 1 7 TYR QB 1 8 LYS H 3.784 . 3.784 3.370 3.216 3.512 . 0 0 "[ . 1 . 2]" 1
53 1 7 TYR QB 1 21 PHE QB . . 3.630 3.558 3.215 3.650 0.020 17 0 "[ . 1 . 2]" 1
54 1 7 TYR QB 1 22 VAL HA 4.128 . 4.128 3.785 3.059 4.160 0.032 10 0 "[ . 1 . 2]" 1
55 1 7 TYR QB 1 23 ASP H 5.037 . 5.037 3.898 3.596 4.064 . 0 0 "[ . 1 . 2]" 1
56 1 7 TYR QB 1 37 VAL QG 4.839 . 4.839 3.621 3.320 3.825 . 0 0 "[ . 1 . 2]" 1
57 1 7 TYR QB 1 80 LEU HA 4.147 . 4.147 4.323 4.251 4.362 0.215 13 0 "[ . 1 . 2]" 1
58 1 7 TYR QB 1 80 LEU QD . . 3.851 2.558 1.926 3.383 . 0 0 "[ . 1 . 2]" 1
59 1 7 TYR QB 1 84 VAL QG 4.805 . 4.805 4.888 4.837 4.951 0.146 15 0 "[ . 1 . 2]" 1
60 1 7 TYR QD 1 87 LEU QD 3.955 . 3.955 4.195 4.152 4.287 0.332 20 0 "[ . 1 . 2]" 1
61 1 7 TYR QE 1 23 ASP QB 3.382 . 3.382 2.157 1.894 2.528 . 0 0 "[ . 1 . 2]" 1
62 1 8 LYS HA 1 8 LYS QD 3.217 . 3.217 3.113 2.291 3.542 0.325 5 0 "[ . 1 . 2]" 1
63 1 8 LYS HA 1 8 LYS QG 3.572 . 3.572 2.705 2.308 2.850 . 0 0 "[ . 1 . 2]" 1
64 1 8 LYS HA 1 9 ASN H 3.251 . 3.251 2.487 2.057 3.363 0.112 12 0 "[ . 1 . 2]" 1
65 1 8 LYS HA 1 20 TYR HA 3.768 . 3.768 2.000 1.784 2.586 0.016 20 0 "[ . 1 . 2]" 1
66 1 8 LYS HA 1 20 TYR QD 3.207 . 3.207 2.612 1.909 3.119 . 0 0 "[ . 1 . 2]" 1
67 1 8 LYS HA 1 21 PHE H 4.453 . 4.453 3.366 3.155 3.629 . 0 0 "[ . 1 . 2]" 1
68 1 8 LYS QB 1 8 LYS QE 4.147 . 4.147 2.874 1.915 3.741 . 0 0 "[ . 1 . 2]" 1
69 1 8 LYS QB 1 20 TYR QD 5.332 . 5.332 2.128 1.797 3.016 0.003 9 0 "[ . 1 . 2]" 1
70 1 8 LYS QB 1 81 SER QB 4.427 . 4.427 3.759 3.000 4.147 . 0 0 "[ . 1 . 2]" 1
71 1 8 LYS QB 1 84 VAL QG . . 3.444 1.783 1.709 1.879 0.091 4 0 "[ . 1 . 2]" 1
72 1 8 LYS QD 1 8 LYS QE 2.423 . 2.423 2.067 2.013 2.091 . 0 0 "[ . 1 . 2]" 1
73 1 8 LYS QD 1 8 LYS QG . . 2.200 2.042 2.005 2.084 . 0 0 "[ . 1 . 2]" 1
74 1 8 LYS QE 1 8 LYS QG 3.433 . 3.433 2.149 1.983 2.340 . 0 0 "[ . 1 . 2]" 1
75 1 8 LYS QG 1 9 ASN H 3.116 . 3.116 2.492 1.938 2.843 . 0 0 "[ . 1 . 2]" 1
76 1 8 LYS QG 1 9 ASN HA 4.114 . 4.114 4.206 3.936 4.300 0.186 16 0 "[ . 1 . 2]" 1
77 1 8 LYS QG 1 19 PRO QB 3.752 . 3.752 3.619 2.732 3.823 0.071 1 0 "[ . 1 . 2]" 1
78 1 9 ASN HA 1 9 ASN QB . . 2.703 2.484 2.197 2.561 . 0 0 "[ . 1 . 2]" 1
79 1 9 ASN HA 1 10 LYS H 4.011 . 4.011 2.167 2.098 2.326 . 0 0 "[ . 1 . 2]" 1
80 1 9 ASN HA 1 21 PHE QD 4.000 . 4.000 4.107 3.948 4.167 0.167 8 0 "[ . 1 . 2]" 1
81 1 9 ASN HA 1 21 PHE QE 3.401 . 3.401 2.483 1.901 2.861 . 0 0 "[ . 1 . 2]" 1
82 1 9 ASN QB 1 15 ALA HA 3.947 . 3.947 3.991 3.798 4.098 0.151 3 0 "[ . 1 . 2]" 1
83 1 9 ASN QB 1 15 ALA MB 4.380 . 4.380 3.824 3.504 4.141 . 0 0 "[ . 1 . 2]" 1
84 1 9 ASN QB 1 19 PRO HA 3.547 . 3.547 2.978 2.819 3.171 . 0 0 "[ . 1 . 2]" 1
85 1 9 ASN QB 1 20 TYR HA 4.530 . 4.530 3.744 3.217 3.994 . 0 0 "[ . 1 . 2]" 1
86 1 10 LYS H 1 10 LYS QB 3.740 . 3.740 2.915 2.383 3.043 . 0 0 "[ . 1 . 2]" 1
87 1 10 LYS H 1 10 LYS QG 3.429 . 3.429 2.037 1.788 3.755 0.326 5 0 "[ . 1 . 2]" 1
88 1 10 LYS H 1 11 ASP H 3.934 . 3.934 3.158 2.776 3.941 0.007 5 0 "[ . 1 . 2]" 1
89 1 10 LYS HA 1 10 LYS QB 2.799 . 2.799 2.159 2.122 2.417 . 0 0 "[ . 1 . 2]" 1
90 1 10 LYS HA 1 10 LYS QG 2.785 . 2.785 3.024 2.232 3.180 0.395 10 0 "[ . 1 . 2]" 1
91 1 10 LYS QB 1 10 LYS QD 2.581 . 2.581 2.391 2.181 2.619 0.038 8 0 "[ . 1 . 2]" 1
92 1 10 LYS QB 1 10 LYS QE . . 3.742 3.239 2.316 3.815 0.073 15 0 "[ . 1 . 2]" 1
93 1 10 LYS QB 1 79 ILE HA 2.947 . 2.947 2.492 1.851 3.037 0.090 18 0 "[ . 1 . 2]" 1
94 1 10 LYS QD 1 11 ASP HA 3.885 . 3.885 3.816 2.652 4.079 0.194 7 0 "[ . 1 . 2]" 1
95 1 10 LYS QD 1 14 SER QB 4.794 . 4.794 3.720 2.761 5.045 0.251 5 0 "[ . 1 . 2]" 1
96 1 10 LYS QD 1 81 SER HA 3.952 . 3.952 3.490 3.189 4.041 0.089 5 0 "[ . 1 . 2]" 1
97 1 10 LYS QD 1 82 GLU H 3.564 . 3.564 3.833 3.586 3.902 0.338 14 0 "[ . 1 . 2]" 1
98 1 10 LYS QG 1 11 ASP H 3.717 . 3.717 3.411 3.045 3.647 . 0 0 "[ . 1 . 2]" 1
99 1 10 LYS QG 1 80 LEU QD 6.000 . 6.000 5.137 4.790 5.409 . 0 0 "[ . 1 . 2]" 1
100 1 10 LYS QG 1 81 SER HA 3.651 . 3.651 3.157 2.751 3.660 0.009 1 0 "[ . 1 . 2]" 1
101 1 11 ASP H 1 12 LYS H 4.513 2.800 4.513 4.068 3.793 4.481 . 0 0 "[ . 1 . 2]" 1
102 1 11 ASP HA 1 11 ASP QB 2.483 . 2.483 2.521 2.488 2.557 0.074 4 0 "[ . 1 . 2]" 1
103 1 11 ASP HA 1 12 LYS H 5.411 . 5.411 2.197 2.164 2.264 . 0 0 "[ . 1 . 2]" 1
104 1 11 ASP HA 1 13 SER H 3.688 . 3.688 3.580 3.426 3.688 0.000 2 0 "[ . 1 . 2]" 1
105 1 11 ASP HA 1 82 GLU QB 3.504 . 3.504 3.548 3.149 3.777 0.273 12 0 "[ . 1 . 2]" 1
106 1 11 ASP QB 1 13 SER QB 5.396 . 5.396 3.312 2.752 4.077 . 0 0 "[ . 1 . 2]" 1
107 1 11 ASP QB 1 79 ILE QG 4.074 . 4.074 5.496 3.987 6.760 2.686 13 11 "[ *- .** 1 +**** **]" 1
108 1 11 ASP QB 1 79 ILE QG 5.261 . 5.261 4.103 3.943 4.240 . 0 0 "[ . 1 . 2]" 1
109 1 12 LYS HA 1 12 LYS QB 2.752 . 2.752 2.451 2.367 2.545 . 0 0 "[ . 1 . 2]" 1
110 1 12 LYS HA 1 12 LYS QG 2.777 . 2.777 2.233 2.015 2.629 . 0 0 "[ . 1 . 2]" 1
111 1 12 LYS HA 1 15 ALA MB 3.265 . 3.265 3.309 3.274 3.337 0.072 7 0 "[ . 1 . 2]" 1
112 1 12 LYS QE 1 84 VAL HA 4.605 . 4.605 4.023 3.496 4.609 0.004 19 0 "[ . 1 . 2]" 1
113 1 12 LYS QG 1 84 VAL HA 4.483 . 4.483 4.625 4.578 4.694 0.211 3 0 "[ . 1 . 2]" 1
114 1 13 SER HA 1 13 SER QB 2.511 . 2.511 2.332 2.186 2.501 . 0 0 "[ . 1 . 2]" 1
115 1 13 SER HA 1 16 LYS QE 4.740 . 4.740 3.968 3.047 4.741 0.001 8 0 "[ . 1 . 2]" 1
116 1 14 SER H 1 15 ALA H . . 3.282 2.679 2.636 2.722 . 0 0 "[ . 1 . 2]" 1
117 1 14 SER HA 1 18 TYR H 3.641 . 3.641 3.788 3.758 3.827 0.186 5 0 "[ . 1 . 2]" 1
118 1 14 SER QB 1 18 TYR QD . . 4.478 4.195 3.543 4.505 0.027 5 0 "[ . 1 . 2]" 1
119 1 14 SER QB 1 19 PRO HA 3.337 . 3.337 3.548 3.513 3.581 0.244 18 0 "[ . 1 . 2]" 1
120 1 15 ALA H 1 16 LYS H 3.472 . 3.472 2.906 2.817 2.954 . 0 0 "[ . 1 . 2]" 1
121 1 15 ALA HA 1 18 TYR H 4.851 . 4.851 3.246 3.140 3.332 . 0 0 "[ . 1 . 2]" 1
122 1 15 ALA HA 1 18 TYR QB 3.721 . 3.721 4.084 4.062 4.102 0.381 18 0 "[ . 1 . 2]" 1
123 1 15 ALA HA 1 19 PRO HA 3.253 . 3.253 1.812 1.769 1.908 0.031 12 0 "[ . 1 . 2]" 1
124 1 15 ALA MB 1 19 PRO HA 3.582 . 3.582 1.953 1.897 2.210 . 0 0 "[ . 1 . 2]" 1
125 1 16 LYS H 1 16 LYS QB 3.916 . 3.916 2.386 2.122 2.692 . 0 0 "[ . 1 . 2]" 1
126 1 16 LYS H 1 16 LYS QG 3.093 . 3.093 2.456 1.946 3.094 0.001 19 0 "[ . 1 . 2]" 1
127 1 16 LYS H 1 17 THR H 3.093 . 3.093 2.733 2.692 2.781 . 0 0 "[ . 1 . 2]" 1
128 1 16 LYS HA 1 16 LYS QE 4.953 . 4.953 4.109 1.959 4.764 . 0 0 "[ . 1 . 2]" 1
129 1 16 LYS HA 1 16 LYS QG . . 3.226 2.468 2.163 2.948 . 0 0 "[ . 1 . 2]" 1
130 1 16 LYS QB 1 16 LYS QG 2.474 . 2.474 2.048 1.990 2.087 . 0 0 "[ . 1 . 2]" 1
131 1 16 LYS QB 1 17 THR H 4.267 . 4.267 2.463 2.386 2.579 . 0 0 "[ . 1 . 2]" 1
132 1 16 LYS QB 1 17 THR MG 3.192 . 3.192 4.854 4.806 4.881 1.689 20 20 [*****-*************+] 1
133 1 16 LYS QD 1 16 LYS QE 2.200 . 2.200 2.057 2.026 2.090 . 0 0 "[ . 1 . 2]" 1
134 1 16 LYS QD 1 16 LYS QG 2.200 . 2.200 2.062 2.022 2.091 . 0 0 "[ . 1 . 2]" 1
135 1 16 LYS QE 1 16 LYS QG 2.240 . 2.240 2.108 1.985 2.240 0.000 7 0 "[ . 1 . 2]" 1
136 1 17 THR H 1 17 THR HA . . 2.955 2.937 2.935 2.938 . 0 0 "[ . 1 . 2]" 1
137 1 17 THR H 1 17 THR HB . . 4.267 2.537 2.491 2.572 . 0 0 "[ . 1 . 2]" 1
138 1 17 THR H 1 17 THR MG 4.309 . 4.309 3.814 3.793 3.826 . 0 0 "[ . 1 . 2]" 1
139 1 17 THR H 1 18 TYR H 2.955 . 2.955 2.097 2.074 2.116 . 0 0 "[ . 1 . 2]" 1
140 1 17 THR HA 1 17 THR MG 2.728 . 2.728 2.475 2.454 2.522 . 0 0 "[ . 1 . 2]" 1
141 1 17 THR HA 1 45 LEU QD . . 4.223 3.696 2.835 4.235 0.012 6 0 "[ . 1 . 2]" 1
142 1 17 THR HB 1 18 TYR H 3.251 . 3.251 2.505 2.458 2.548 . 0 0 "[ . 1 . 2]" 1
143 1 17 THR MG 1 18 TYR HA 5.353 . 5.353 3.955 3.807 4.032 . 0 0 "[ . 1 . 2]" 1
144 1 17 THR MG 1 18 TYR QD 3.691 . 3.691 2.947 2.819 3.010 . 0 0 "[ . 1 . 2]" 1
145 1 17 THR MG 1 41 THR HB 5.813 . 5.813 5.756 5.565 5.920 0.107 5 0 "[ . 1 . 2]" 1
146 1 17 THR MG 1 41 THR MG 4.855 . 4.855 5.680 5.426 5.958 1.103 5 20 [****+*************-*] 1
147 1 18 TYR H 1 18 TYR QB 3.251 . 3.251 2.689 2.602 2.743 . 0 0 "[ . 1 . 2]" 1
148 1 18 TYR HA 1 19 PRO QG 4.740 . 4.740 3.776 3.729 3.805 . 0 0 "[ . 1 . 2]" 1
149 1 18 TYR QB 1 21 PHE QE 5.022 . 5.022 3.001 2.555 3.598 . 0 0 "[ . 1 . 2]" 1
150 1 18 TYR QB 1 39 PRO QB 4.104 . 4.104 3.812 3.513 4.053 . 0 0 "[ . 1 . 2]" 1
151 1 18 TYR QD 1 39 PRO QB 4.238 . 4.238 4.179 3.958 4.245 0.007 1 0 "[ . 1 . 2]" 1
152 1 18 TYR QD 1 68 LEU QD 3.951 . 3.951 3.613 2.931 3.970 0.019 5 0 "[ . 1 . 2]" 1
153 1 19 PRO HA 1 19 PRO QG 3.151 . 3.151 3.336 3.291 3.379 0.228 5 0 "[ . 1 . 2]" 1
154 1 19 PRO QG 1 20 TYR H . . 3.071 3.146 3.110 3.196 0.125 14 0 "[ . 1 . 2]" 1
155 1 19 PRO QG 1 20 TYR QD 4.132 . 4.132 2.973 2.873 3.063 . 0 0 "[ . 1 . 2]" 1
156 1 19 PRO QG 1 41 THR HB 3.236 . 3.236 3.318 3.184 3.368 0.132 20 0 "[ . 1 . 2]" 1
157 1 19 PRO QG 1 42 PRO QB 3.228 . 3.228 3.478 3.398 3.552 0.324 16 0 "[ . 1 . 2]" 1
158 1 19 PRO QG 1 65 PHE QD 4.028 . 4.028 3.637 2.299 4.125 0.097 15 0 "[ . 1 . 2]" 1
159 1 20 TYR H 1 39 PRO HA 4.750 . 4.750 4.800 4.754 4.840 0.090 3 0 "[ . 1 . 2]" 1
160 1 20 TYR HA 1 20 TYR QD 3.558 . 3.558 3.502 3.404 3.536 . 0 0 "[ . 1 . 2]" 1
161 1 20 TYR HA 1 21 PHE H 3.331 . 3.331 2.387 2.350 2.428 . 0 0 "[ . 1 . 2]" 1
162 1 20 TYR QB 1 40 LEU QB 4.179 . 4.179 2.261 1.760 4.223 0.044 16 0 "[ . 1 . 2]" 1
163 1 20 TYR QB 1 40 LEU QD 3.449 . 3.449 2.500 1.746 2.931 0.054 2 0 "[ . 1 . 2]" 1
164 1 20 TYR QB 1 40 LEU HG 4.028 . 4.028 4.096 4.054 4.158 0.130 19 0 "[ . 1 . 2]" 1
165 1 20 TYR QB 1 84 VAL QG 5.217 . 5.217 3.413 3.122 3.913 . 0 0 "[ . 1 . 2]" 1
166 1 20 TYR QD 1 40 LEU QD 4.179 . 4.179 3.189 1.920 3.431 . 0 0 "[ . 1 . 2]" 1
167 1 20 TYR QD 1 84 VAL QG . . 3.827 2.077 1.782 2.843 0.018 14 0 "[ . 1 . 2]" 1
168 1 20 TYR QE 1 40 LEU QD 3.784 . 3.784 3.806 3.282 3.922 0.138 15 0 "[ . 1 . 2]" 1
169 1 20 TYR QE 1 41 THR HB 4.284 . 4.284 4.535 4.476 4.573 0.289 5 0 "[ . 1 . 2]" 1
170 1 20 TYR QE 1 84 VAL QG 3.528 . 3.528 2.309 1.875 3.222 . 0 0 "[ . 1 . 2]" 1
171 1 21 PHE HA 1 22 VAL H 3.535 . 3.535 2.472 2.412 2.520 . 0 0 "[ . 1 . 2]" 1
172 1 21 PHE HA 1 22 VAL QG 3.634 . 3.634 3.210 2.956 3.518 . 0 0 "[ . 1 . 2]" 1
173 1 21 PHE HA 1 37 VAL HB 4.719 . 4.719 3.244 3.049 3.446 . 0 0 "[ . 1 . 2]" 1
174 1 21 PHE HA 1 39 PRO HA . . 3.662 1.826 1.785 1.883 0.015 6 0 "[ . 1 . 2]" 1
175 1 21 PHE HA 1 67 MET QG 4.953 . 4.953 4.991 4.794 5.037 0.084 7 0 "[ . 1 . 2]" 1
176 1 21 PHE QB 1 22 VAL HB 4.522 . 4.522 4.806 4.715 4.857 0.335 2 0 "[ . 1 . 2]" 1
177 1 21 PHE QB 1 37 VAL HA 4.679 . 4.679 3.912 3.864 3.995 . 0 0 "[ . 1 . 2]" 1
178 1 21 PHE QB 1 37 VAL HB . . 3.829 1.779 1.757 1.815 0.043 5 0 "[ . 1 . 2]" 1
179 1 21 PHE QB 1 37 VAL QG . . 4.305 1.792 1.780 1.833 0.020 11 0 "[ . 1 . 2]" 1
180 1 21 PHE QB 1 39 PRO QG 4.397 . 4.397 4.088 3.947 4.328 . 0 0 "[ . 1 . 2]" 1
181 1 21 PHE QB 1 80 LEU QD 4.709 . 4.709 4.012 3.479 4.527 . 0 0 "[ . 1 . 2]" 1
182 1 21 PHE QD 1 22 VAL QG 5.067 . 5.067 5.105 5.039 5.167 0.100 13 0 "[ . 1 . 2]" 1
183 1 21 PHE QD 1 37 VAL QG . . 4.059 2.616 2.394 2.869 . 0 0 "[ . 1 . 2]" 1
184 1 21 PHE QD 1 39 PRO QB . . 3.646 1.818 1.781 1.877 0.019 9 0 "[ . 1 . 2]" 1
185 1 21 PHE QD 1 79 ILE MD 5.098 . 5.098 5.078 4.669 5.232 0.134 20 0 "[ . 1 . 2]" 1
186 1 21 PHE QD 1 80 LEU QD 3.363 . 3.363 3.419 3.188 3.538 0.175 1 0 "[ . 1 . 2]" 1
187 1 21 PHE QE 1 39 PRO QB . . 3.768 3.054 2.713 3.438 . 0 0 "[ . 1 . 2]" 1
188 1 21 PHE QE 1 79 ILE MD 4.173 . 4.173 3.812 3.033 4.204 0.031 17 0 "[ . 1 . 2]" 1
189 1 21 PHE QE 1 81 SER QB 5.114 . 5.114 2.853 2.072 4.453 . 0 0 "[ . 1 . 2]" 1
190 1 22 VAL H 1 22 VAL HB 4.223 . 4.223 2.696 2.560 2.837 . 0 0 "[ . 1 . 2]" 1
191 1 22 VAL H 1 22 VAL QG 3.695 . 3.695 2.678 2.268 2.953 . 0 0 "[ . 1 . 2]" 1
192 1 22 VAL HA 1 23 ASP H . . 3.429 2.117 2.087 2.172 . 0 0 "[ . 1 . 2]" 1
193 1 22 VAL HA 1 23 ASP QB 4.404 . 4.404 4.256 4.058 4.410 0.006 13 0 "[ . 1 . 2]" 1
194 1 22 VAL HA 1 24 VAL QG 4.394 . 4.394 4.463 4.175 4.536 0.142 1 0 "[ . 1 . 2]" 1
195 1 22 VAL HB 1 24 VAL QG 3.250 . 3.250 2.817 2.487 3.084 . 0 0 "[ . 1 . 2]" 1
196 1 22 VAL HB 1 38 ILE H 4.538 . 4.538 2.822 2.545 3.061 . 0 0 "[ . 1 . 2]" 1
197 1 22 VAL HB 1 94 ILE QG 2.584 . 2.584 2.948 2.599 4.514 1.930 3 3 "[ +*. 1 - . 2]" 1
198 1 22 VAL QG 1 23 ASP HA 4.367 . 4.367 4.169 3.923 4.390 0.023 11 0 "[ . 1 . 2]" 1
199 1 22 VAL QG 1 23 ASP QB . . 4.354 3.754 3.425 4.075 . 0 0 "[ . 1 . 2]" 1
200 1 22 VAL QG 1 24 VAL QG . . 3.891 2.694 2.459 2.979 . 0 0 "[ . 1 . 2]" 1
201 1 22 VAL QG 1 37 VAL HA 4.966 . 4.966 4.267 4.103 4.509 . 0 0 "[ . 1 . 2]" 1
202 1 22 VAL QG 1 40 LEU QD 3.913 . 3.913 1.831 1.751 2.125 0.049 4 0 "[ . 1 . 2]" 1
203 1 22 VAL QG 1 40 LEU HG 3.417 . 3.417 2.469 1.893 2.910 . 0 0 "[ . 1 . 2]" 1
204 1 22 VAL QG 1 67 MET QG 3.928 . 3.928 2.523 1.916 3.232 . 0 0 "[ . 1 . 2]" 1
205 1 22 VAL QG 1 87 LEU QB . . 4.268 4.377 4.305 4.443 0.175 13 0 "[ . 1 . 2]" 1
206 1 22 VAL QG 1 87 LEU QD 5.258 . 5.258 2.093 1.864 2.231 . 0 0 "[ . 1 . 2]" 1
207 1 22 VAL QG 1 94 ILE HA 3.473 . 3.473 3.520 3.388 3.591 0.118 2 0 "[ . 1 . 2]" 1
208 1 23 ASP HA 1 24 VAL H 3.644 . 3.644 2.166 2.126 2.206 . 0 0 "[ . 1 . 2]" 1
209 1 23 ASP HA 1 24 VAL QG 4.204 . 4.204 3.637 3.336 3.795 . 0 0 "[ . 1 . 2]" 1
210 1 23 ASP HA 1 37 VAL HA . . 4.186 3.324 2.913 3.899 . 0 0 "[ . 1 . 2]" 1
211 1 23 ASP HA 1 37 VAL HB 5.418 . 5.418 4.313 4.009 4.859 . 0 0 "[ . 1 . 2]" 1
212 1 23 ASP HA 1 37 VAL QG 3.479 . 3.479 1.901 1.792 2.219 0.008 2 0 "[ . 1 . 2]" 1
213 1 23 ASP HA 1 80 LEU QD 4.939 . 4.939 3.839 2.999 4.391 . 0 0 "[ . 1 . 2]" 1
214 1 23 ASP QB 1 37 VAL QG 4.323 . 4.323 3.408 3.193 3.641 . 0 0 "[ . 1 . 2]" 1
215 1 23 ASP QB 1 80 LEU QD . . 3.575 3.171 1.915 3.582 0.007 5 0 "[ . 1 . 2]" 1
216 1 24 VAL H 1 24 VAL QG . . 3.408 2.349 2.274 2.443 . 0 0 "[ . 1 . 2]" 1
217 1 24 VAL H 1 36 LEU H 3.615 . 3.615 3.671 3.556 3.752 0.137 11 0 "[ . 1 . 2]" 1
218 1 24 VAL H 1 37 VAL HA 4.581 . 4.581 2.979 2.627 3.428 . 0 0 "[ . 1 . 2]" 1
219 1 24 VAL HA 1 24 VAL HB . . 2.830 2.357 2.242 2.407 . 0 0 "[ . 1 . 2]" 1
220 1 24 VAL HA 1 24 VAL QG . . 3.099 2.418 2.379 2.528 . 0 0 "[ . 1 . 2]" 1
221 1 24 VAL HA 1 25 GLN HA 4.171 . 4.171 4.294 4.260 4.468 0.297 18 0 "[ . 1 . 2]" 1
222 1 24 VAL HA 1 98 ILE MD 4.156 . 4.156 4.258 4.168 4.330 0.174 12 0 "[ . 1 . 2]" 1
223 1 24 VAL HB 1 94 ILE QG 3.823 . 3.823 4.156 3.728 4.787 0.964 10 6 "[ ** . +* *.- 2]" 1
224 1 24 VAL HB 1 98 ILE MD 3.836 . 3.836 3.634 2.370 3.868 0.032 14 0 "[ . 1 . 2]" 1
225 1 24 VAL QG 1 36 LEU QB . . 3.739 3.338 2.292 3.743 0.004 9 0 "[ . 1 . 2]" 1
226 1 24 VAL QG 1 36 LEU HG . . 3.777 3.811 3.268 3.921 0.144 1 0 "[ . 1 . 2]" 1
227 1 24 VAL QG 1 37 VAL HA . . 3.905 2.498 2.260 2.668 . 0 0 "[ . 1 . 2]" 1
228 1 24 VAL QG 1 94 ILE QG 3.331 . 3.331 3.562 2.475 4.189 0.858 3 7 "[ *+*. * **.- 2]" 1
229 1 24 VAL QG 1 94 ILE QG 5.107 . 5.107 1.827 1.732 2.036 0.068 18 0 "[ . 1 . 2]" 1
230 1 24 VAL QG 1 97 ALA MB 4.020 . 4.020 3.533 2.734 4.066 0.046 11 0 "[ . 1 . 2]" 1
231 1 25 GLN HA 1 26 SER H . . 3.388 3.374 3.176 3.517 0.129 15 0 "[ . 1 . 2]" 1
232 1 25 GLN HA 2 102 ILE HA 4.000 . 4.000 4.010 3.906 4.038 0.038 6 0 "[ . 1 . 2]" 1
233 1 25 GLN QB 1 26 SER HA 4.888 . 4.888 4.269 4.121 4.441 . 0 0 "[ . 1 . 2]" 1
234 1 25 GLN QB 1 26 SER QB 4.939 . 4.939 3.803 3.313 4.302 . 0 0 "[ . 1 . 2]" 1
235 1 25 GLN QB 1 36 LEU QB 3.098 . 3.098 1.724 1.668 1.849 0.132 17 0 "[ . 1 . 2]" 1
236 1 26 SER H 1 36 LEU H 3.429 . 3.429 3.524 3.352 3.610 0.181 14 0 "[ . 1 . 2]" 1
237 1 26 SER H 1 36 LEU QB 3.488 . 3.488 3.660 3.293 3.841 0.353 16 0 "[ . 1 . 2]" 1
238 1 26 SER HA 1 27 ASP H 4.953 . 4.953 2.213 2.135 2.336 . 0 0 "[ . 1 . 2]" 1
239 1 26 SER HA 1 29 LEU QB 3.766 . 3.766 3.934 3.879 4.006 0.240 6 0 "[ . 1 . 2]" 1
240 1 26 SER QB 1 28 LEU HA 4.490 . 4.490 4.741 4.688 4.793 0.303 3 0 "[ . 1 . 2]" 1
241 1 26 SER QB 1 28 LEU QB 3.618 . 3.618 3.616 3.442 3.669 0.051 6 0 "[ . 1 . 2]" 1
242 1 26 SER QB 1 28 LEU QD . . 3.984 3.988 3.763 4.034 0.050 11 0 "[ . 1 . 2]" 1
243 1 26 SER QB 1 29 LEU QD . . 4.199 3.003 2.613 3.166 . 0 0 "[ . 1 . 2]" 1
244 1 26 SER QB 1 29 LEU HG 3.297 . 3.297 3.333 3.288 3.353 0.056 5 0 "[ . 1 . 2]" 1
245 1 27 ASP H 1 27 ASP QB . . 3.625 2.293 2.141 2.587 . 0 0 "[ . 1 . 2]" 1
246 1 27 ASP H 1 28 LEU H 3.988 . 3.988 2.375 2.114 2.765 . 0 0 "[ . 1 . 2]" 1
247 1 27 ASP H 1 28 LEU QD 4.125 . 4.125 3.185 2.887 4.135 0.010 1 0 "[ . 1 . 2]" 1
248 1 27 ASP HA 1 30 ASP QB . . 2.623 2.689 2.673 2.707 0.084 3 0 "[ . 1 . 2]" 1
249 1 27 ASP QB 1 28 LEU H 3.520 . 3.520 2.756 2.620 2.881 . 0 0 "[ . 1 . 2]" 1
250 1 28 LEU HA 1 28 LEU QB . . 2.584 2.353 2.259 2.387 . 0 0 "[ . 1 . 2]" 1
251 1 28 LEU HA 1 28 LEU QD . . 2.647 2.350 1.930 2.678 0.031 11 0 "[ . 1 . 2]" 1
252 1 28 LEU QB 1 28 LEU QD . . 2.556 1.946 1.844 2.000 . 0 0 "[ . 1 . 2]" 1
253 1 28 LEU QB 1 29 LEU HG 2.742 . 2.742 2.703 2.521 2.774 0.032 13 0 "[ . 1 . 2]" 1
254 1 29 LEU H 1 29 LEU QD 3.993 . 3.993 3.238 2.798 3.731 . 0 0 "[ . 1 . 2]" 1
255 1 29 LEU H 1 29 LEU HG 3.900 . 3.900 2.605 2.293 3.373 . 0 0 "[ . 1 . 2]" 1
256 1 29 LEU H 1 30 ASP H 4.655 . 4.655 2.806 2.044 3.120 . 0 0 "[ . 1 . 2]" 1
257 1 29 LEU HA 1 29 LEU QD . . 2.813 2.268 2.109 2.738 . 0 0 "[ . 1 . 2]" 1
258 1 29 LEU HA 1 29 LEU HG . . 2.894 2.912 2.836 2.935 0.041 6 0 "[ . 1 . 2]" 1
259 1 29 LEU QB 1 29 LEU QD 2.845 . 2.845 1.882 1.789 1.925 0.011 15 0 "[ . 1 . 2]" 1
260 1 29 LEU QB 1 30 ASP H 3.733 . 3.733 3.771 3.723 3.814 0.081 5 0 "[ . 1 . 2]" 1
261 1 29 LEU QB 1 32 LEU QD 3.620 . 3.620 3.415 2.887 3.670 0.050 6 0 "[ . 1 . 2]" 1
262 1 29 LEU QD 2 54 LEU QD 4.000 . 4.000 2.135 1.786 2.591 0.014 15 0 "[ . 1 . 2]" 1
263 1 30 ASP H 1 31 ASN H 4.655 . 4.655 2.951 2.772 3.090 . 0 0 "[ . 1 . 2]" 1
264 1 30 ASP HA 1 30 ASP QB 2.632 . 2.632 2.353 2.172 2.541 . 0 0 "[ . 1 . 2]" 1
265 1 31 ASN H 1 32 LEU H 2.697 . 2.697 2.077 1.888 2.263 . 0 0 "[ . 1 . 2]" 1
266 1 31 ASN HA 1 34 THR H 3.488 . 3.488 3.672 3.611 3.732 0.244 12 0 "[ . 1 . 2]" 1
267 1 32 LEU H 1 32 LEU HA . . 3.093 2.764 2.718 2.792 . 0 0 "[ . 1 . 2]" 1
268 1 32 LEU H 1 32 LEU QB 3.093 . 3.093 2.129 2.061 2.802 . 0 0 "[ . 1 . 2]" 1
269 1 32 LEU H 1 32 LEU QD 3.994 . 3.994 3.114 1.961 3.657 . 0 0 "[ . 1 . 2]" 1
270 1 32 LEU H 1 34 THR H 3.598 . 3.598 3.702 3.651 3.777 0.179 20 0 "[ . 1 . 2]" 1
271 1 32 LEU HA 1 32 LEU QB 2.783 . 2.783 2.520 2.258 2.541 . 0 0 "[ . 1 . 2]" 1
272 1 32 LEU HA 1 32 LEU QD 2.726 . 2.726 2.349 1.955 2.730 0.004 7 0 "[ . 1 . 2]" 1
273 1 32 LEU QB 1 33 ASN HA 3.688 . 3.688 3.920 3.859 3.989 0.301 12 0 "[ . 1 . 2]" 1
274 1 32 LEU QB 1 33 ASN QB 3.899 . 3.899 2.952 2.766 3.475 . 0 0 "[ . 1 . 2]" 1
275 1 32 LEU QB 1 34 THR H 3.625 . 3.625 3.528 3.283 3.634 0.009 8 0 "[ . 1 . 2]" 1
276 1 33 ASN HA 1 77 VAL QG 2.946 . 2.946 2.591 1.968 2.968 0.022 17 0 "[ . 1 . 2]" 1
277 1 34 THR HA 1 34 THR MG . . 2.931 2.689 2.241 3.002 0.071 19 0 "[ . 1 . 2]" 1
278 1 34 THR HA 1 35 ARG H 3.413 . 3.413 2.561 2.484 2.675 . 0 0 "[ . 1 . 2]" 1
279 1 34 THR HA 1 76 PRO HA 3.380 . 3.380 2.816 2.320 3.145 . 0 0 "[ . 1 . 2]" 1
280 1 34 THR HA 1 76 PRO QB . . 4.623 4.576 4.216 4.693 0.070 9 0 "[ . 1 . 2]" 1
281 1 34 THR HA 1 77 VAL H . . 4.015 2.344 1.787 3.031 0.013 18 0 "[ . 1 . 2]" 1
282 1 34 THR HA 1 77 VAL HB 4.166 . 4.166 3.355 2.417 4.266 0.100 9 0 "[ . 1 . 2]" 1
283 1 34 THR HB 1 35 ARG H 3.794 . 3.794 2.424 1.909 2.860 . 0 0 "[ . 1 . 2]" 1
284 1 34 THR HB 1 74 SER HA 4.863 . 4.863 4.910 4.868 4.956 0.093 16 0 "[ . 1 . 2]" 1
285 1 34 THR HB 1 76 PRO HA 4.370 . 4.370 2.523 1.895 3.349 . 0 0 "[ . 1 . 2]" 1
286 1 34 THR HB 1 77 VAL H 3.616 . 3.616 3.664 3.632 3.697 0.081 16 0 "[ . 1 . 2]" 1
287 1 34 THR HB 2 71 GLN HA 5.000 . 5.000 4.910 4.204 5.044 0.044 1 0 "[ . 1 . 2]" 1
288 1 34 THR MG 1 76 PRO HA 3.529 . 3.529 2.194 1.796 2.803 0.004 4 0 "[ . 1 . 2]" 1
289 1 34 THR MG 1 76 PRO QB 3.861 . 3.861 3.117 2.603 3.483 . 0 0 "[ . 1 . 2]" 1
290 1 34 THR MG 1 76 PRO QG . . 3.350 3.267 2.831 3.448 0.098 1 0 "[ . 1 . 2]" 1
291 1 35 ARG HA 1 36 LEU H 4.517 . 4.517 2.291 2.179 2.374 . 0 0 "[ . 1 . 2]" 1
292 1 35 ARG HA 1 74 SER QB 4.032 . 4.032 4.090 4.040 4.123 0.091 18 0 "[ . 1 . 2]" 1
293 1 35 ARG QB 1 37 VAL QG . . 4.397 3.060 2.513 3.819 . 0 0 "[ . 1 . 2]" 1
294 1 35 ARG QB 1 75 VAL QG . . 4.500 4.059 3.076 4.613 0.113 18 0 "[ . 1 . 2]" 1
295 1 35 ARG QB 1 80 LEU QD 5.196 . 5.196 2.835 1.776 3.991 0.024 11 0 "[ . 1 . 2]" 1
296 1 36 LEU H 1 36 LEU QD 4.592 . 4.592 3.677 3.400 3.788 . 0 0 "[ . 1 . 2]" 1
297 1 36 LEU HA 1 36 LEU QD . . 3.031 2.008 1.881 2.745 . 0 0 "[ . 1 . 2]" 1
298 1 36 LEU HA 1 36 LEU HG 4.215 . 4.215 3.098 2.785 3.660 . 0 0 "[ . 1 . 2]" 1
299 1 36 LEU HA 1 37 VAL H 3.471 . 3.471 2.215 2.154 2.401 . 0 0 "[ . 1 . 2]" 1
300 1 36 LEU HA 1 74 SER HA 3.576 . 3.576 2.308 1.842 2.989 . 0 0 "[ . 1 . 2]" 1
301 1 36 LEU HA 1 75 VAL QG 5.830 . 5.830 4.519 3.973 5.538 . 0 0 "[ . 1 . 2]" 1
302 1 36 LEU QD 1 37 VAL H 3.526 . 3.526 2.530 1.961 3.470 . 0 0 "[ . 1 . 2]" 1
303 1 36 LEU QD 1 74 SER HA 4.014 . 4.014 3.021 2.333 4.000 . 0 0 "[ . 1 . 2]" 1
304 1 36 LEU QD 2 72 MET QB 4.000 . 4.000 2.262 1.826 2.647 . 0 0 "[ . 1 . 2]" 1
305 1 36 LEU QD 2 101 LEU QD 4.000 . 4.000 2.902 2.196 3.534 . 0 0 "[ . 1 . 2]" 1
306 1 36 LEU HG 1 72 MET QG 4.557 . 4.557 2.620 2.005 3.787 . 0 0 "[ . 1 . 2]" 1
307 1 37 VAL H 1 37 VAL QG . . 4.023 1.939 1.796 2.224 0.004 5 0 "[ . 1 . 2]" 1
308 1 37 VAL HA 1 38 ILE H 3.872 . 3.872 2.249 2.218 2.275 . 0 0 "[ . 1 . 2]" 1
309 1 37 VAL HB 1 38 ILE H 4.671 . 4.671 2.382 2.255 2.488 . 0 0 "[ . 1 . 2]" 1
310 1 37 VAL HB 1 39 PRO HA 3.703 . 3.703 3.884 3.838 3.917 0.214 11 0 "[ . 1 . 2]" 1
311 1 37 VAL QG 1 39 PRO QB 3.535 . 3.535 3.646 3.572 3.691 0.156 19 0 "[ . 1 . 2]" 1
312 1 37 VAL QG 1 72 MET QG 5.273 . 5.273 3.867 3.350 4.295 . 0 0 "[ . 1 . 2]" 1
313 1 37 VAL QG 1 73 THR H 4.414 . 4.414 2.884 2.184 3.200 . 0 0 "[ . 1 . 2]" 1
314 1 37 VAL QG 1 73 THR MG 3.508 . 3.508 3.233 2.375 4.705 1.197 5 3 "[ + 1 -* 2]" 1
315 1 37 VAL QG 1 74 SER HA 4.329 . 4.329 2.903 2.589 3.175 . 0 0 "[ . 1 . 2]" 1
316 1 37 VAL QG 1 75 VAL HB 3.127 . 3.127 3.265 3.140 3.459 0.332 1 0 "[ . 1 . 2]" 1
317 1 37 VAL QG 1 75 VAL QG 4.197 . 4.197 1.707 1.504 2.764 0.296 14 0 "[ . 1 . 2]" 1
318 1 37 VAL QG 1 80 LEU QD 3.978 . 3.978 2.794 2.225 3.462 . 0 0 "[ . 1 . 2]" 1
319 1 39 PRO HA 1 40 LEU H 4.123 . 4.123 2.231 2.151 2.473 . 0 0 "[ . 1 . 2]" 1
320 1 39 PRO HA 1 68 LEU QB 6.000 . 6.000 4.371 4.230 4.472 . 0 0 "[ . 1 . 2]" 1
321 1 39 PRO QB 1 40 LEU H 4.364 . 4.364 3.693 3.567 3.920 . 0 0 "[ . 1 . 2]" 1
322 1 39 PRO QB 1 40 LEU HA 4.538 . 4.538 4.634 4.583 4.699 0.161 19 0 "[ . 1 . 2]" 1
323 1 39 PRO QB 1 68 LEU QD . . 3.898 3.173 2.967 3.324 . 0 0 "[ . 1 . 2]" 1
324 1 39 PRO QG 1 68 LEU QB 2.200 . 2.200 2.052 1.909 2.228 0.028 19 0 "[ . 1 . 2]" 1
325 1 39 PRO QG 1 71 GLN QB 2.926 . 2.926 2.805 2.395 2.965 0.039 5 0 "[ . 1 . 2]" 1
326 1 39 PRO QG 1 73 THR MG . . 2.291 2.549 2.317 3.705 1.414 15 3 "[ * 1 +- 2]" 1
327 1 40 LEU H 1 40 LEU QB 2.848 . 2.848 2.280 2.010 2.962 0.114 16 0 "[ . 1 . 2]" 1
328 1 40 LEU H 1 40 LEU HG 4.412 . 4.412 2.779 1.829 3.378 . 0 0 "[ . 1 . 2]" 1
329 1 40 LEU HA 1 40 LEU QD . . 3.313 2.462 1.945 3.302 . 0 0 "[ . 1 . 2]" 1
330 1 40 LEU HA 1 40 LEU HG 3.681 . 3.681 2.667 2.452 3.360 . 0 0 "[ . 1 . 2]" 1
331 1 40 LEU HA 1 41 THR H . . 3.388 2.320 2.276 2.395 . 0 0 "[ . 1 . 2]" 1
332 1 40 LEU HA 1 41 THR HA 5.396 . 5.396 4.458 4.433 4.483 . 0 0 "[ . 1 . 2]" 1
333 1 40 LEU HA 1 65 PHE QB . . 4.679 4.241 3.856 4.457 . 0 0 "[ . 1 . 2]" 1
334 1 40 LEU HA 1 66 ILE H 3.498 . 3.498 3.669 3.609 3.763 0.265 6 0 "[ . 1 . 2]" 1
335 1 40 LEU HA 1 67 MET HA 3.981 . 3.981 2.013 1.793 2.420 0.007 2 0 "[ . 1 . 2]" 1
336 1 40 LEU HA 1 68 LEU QB . . 4.212 3.715 3.218 3.956 . 0 0 "[ . 1 . 2]" 1
337 1 40 LEU QB 1 40 LEU HG 2.361 . 2.361 2.424 2.371 2.511 0.150 4 0 "[ . 1 . 2]" 1
338 1 40 LEU QB 1 41 THR HA 5.131 . 5.131 3.752 3.684 3.811 . 0 0 "[ . 1 . 2]" 1
339 1 40 LEU QB 1 65 PHE QB . . 3.693 2.816 2.587 3.131 . 0 0 "[ . 1 . 2]" 1
340 1 40 LEU QB 1 65 PHE QD 4.980 . 4.980 4.318 3.537 4.533 . 0 0 "[ . 1 . 2]" 1
341 1 40 LEU QD 1 65 PHE QB . . 3.705 2.413 1.785 3.253 0.015 19 0 "[ . 1 . 2]" 1
342 1 40 LEU QD 1 67 MET HA . . 3.743 2.436 1.917 3.275 . 0 0 "[ . 1 . 2]" 1
343 1 40 LEU HG 1 67 MET HA 3.977 . 3.977 2.552 2.225 2.882 . 0 0 "[ . 1 . 2]" 1
344 1 40 LEU HG 1 68 LEU H 4.061 . 4.061 4.138 4.113 4.173 0.112 11 0 "[ . 1 . 2]" 1
345 1 41 THR H 1 41 THR MG . . 3.916 2.290 2.108 2.484 . 0 0 "[ . 1 . 2]" 1
346 1 41 THR H 1 66 ILE QG 4.370 . 4.370 3.862 3.697 4.068 . 0 0 "[ . 1 . 2]" 1
347 1 41 THR HB 1 68 LEU QB 4.308 . 4.308 4.428 4.387 4.467 0.159 5 0 "[ . 1 . 2]" 1
348 1 41 THR HB 1 68 LEU QD . . 3.545 3.583 3.554 3.603 0.058 2 0 "[ . 1 . 2]" 1
349 1 41 THR MG 1 46 LEU QB 4.144 . 4.144 4.203 3.252 4.967 0.823 14 2 "[ . - 1 +. 2]" 1
350 1 41 THR MG 1 66 ILE HB 3.705 . 3.705 3.725 3.498 3.793 0.088 5 0 "[ . 1 . 2]" 1
351 1 42 PRO HA 1 43 ILE H 3.570 . 3.570 2.055 2.017 2.135 . 0 0 "[ . 1 . 2]" 1
352 1 42 PRO HA 1 43 ILE QG 4.032 . 4.032 4.196 4.047 5.630 1.598 6 1 "[ .+ 1 . 2]" 1
353 1 42 PRO HA 1 65 PHE HA 3.859 . 3.859 2.460 2.256 2.809 . 0 0 "[ . 1 . 2]" 1
354 1 42 PRO HA 1 65 PHE QB 4.546 . 4.546 3.342 3.100 3.626 . 0 0 "[ . 1 . 2]" 1
355 1 42 PRO HA 1 65 PHE QD 3.620 . 3.620 1.846 1.753 2.579 0.047 4 0 "[ . 1 . 2]" 1
356 1 42 PRO HA 1 66 ILE QG 4.320 . 4.320 4.205 4.007 4.322 0.002 6 0 "[ . 1 . 2]" 1
357 1 42 PRO QB 1 44 GLU H 3.513 . 3.513 2.843 2.701 3.194 . 0 0 "[ . 1 . 2]" 1
358 1 42 PRO QB 1 44 GLU QB 2.774 . 2.774 2.862 2.677 2.958 0.184 4 0 "[ . 1 . 2]" 1
359 1 42 PRO QB 1 45 LEU HG 3.275 . 3.275 2.735 2.081 3.397 0.122 4 0 "[ . 1 . 2]" 1
360 1 42 PRO QB 1 65 PHE HA 4.475 . 4.475 4.315 4.120 4.597 0.122 6 0 "[ . 1 . 2]" 1
361 1 42 PRO QB 1 65 PHE QD 4.234 . 4.234 2.685 2.469 3.036 . 0 0 "[ . 1 . 2]" 1
362 1 42 PRO QG 1 45 LEU HG . . 2.900 2.013 1.792 2.558 0.008 4 0 "[ . 1 . 2]" 1
363 1 43 ILE H 1 43 ILE QG 4.655 . 4.655 2.508 2.186 3.812 . 0 0 "[ . 1 . 2]" 1
364 1 43 ILE HA 1 43 ILE QG 3.106 . 3.106 2.179 2.115 2.342 . 0 0 "[ . 1 . 2]" 1
365 1 43 ILE HA 1 65 PHE HA 4.660 . 4.660 4.297 4.012 4.575 . 0 0 "[ . 1 . 2]" 1
366 1 43 ILE HA 1 66 ILE QG 4.266 . 4.266 2.476 1.940 3.080 . 0 0 "[ . 1 . 2]" 1
367 1 43 ILE HA 1 66 ILE QG 3.972 . 3.972 2.448 1.930 3.029 . 0 0 "[ . 1 . 2]" 1
368 1 43 ILE HB 1 43 ILE MD 2.441 . 2.441 2.451 1.997 2.555 0.114 11 0 "[ . 1 . 2]" 1
369 1 43 ILE HB 1 43 ILE QG 2.222 . 2.222 2.294 2.242 2.488 0.266 7 0 "[ . 1 . 2]" 1
370 1 43 ILE HB 1 57 THR MG 3.620 . 3.620 4.505 3.823 5.602 1.982 9 17 "[***** *+*****-** **]" 1
371 1 43 ILE HB 1 65 PHE HA 4.679 . 4.679 3.565 2.315 4.068 . 0 0 "[ . 1 . 2]" 1
372 1 43 ILE HB 1 65 PHE QD 5.418 . 5.418 5.253 4.890 5.430 0.012 16 0 "[ . 1 . 2]" 1
373 1 43 ILE MD 1 57 THR HB 4.364 . 4.364 2.850 1.773 3.428 0.027 18 0 "[ . 1 . 2]" 1
374 1 43 ILE MD 1 64 ASP HA 5.022 . 5.022 4.348 3.194 5.066 0.044 6 0 "[ . 1 . 2]" 1
375 1 43 ILE MD 1 64 ASP QB 3.300 . 3.300 2.476 1.788 3.125 0.012 18 0 "[ . 1 . 2]" 1
376 1 43 ILE MD 1 66 ILE QG 2.808 . 2.808 3.194 2.921 3.534 0.726 19 4 "[ - . * 1 . *+2]" 1
377 1 43 ILE QG 1 43 ILE MG 3.105 . 3.105 2.426 2.174 2.513 . 0 0 "[ . 1 . 2]" 1
378 1 43 ILE QG 1 44 GLU H 6.000 . 6.000 3.058 2.187 3.263 . 0 0 "[ . 1 . 2]" 1
379 1 43 ILE QG 1 44 GLU HA 3.897 . 3.897 3.112 2.836 3.274 . 0 0 "[ . 1 . 2]" 1
380 1 43 ILE QG 1 44 GLU QB 3.645 . 3.645 3.774 3.731 3.842 0.197 7 0 "[ . 1 . 2]" 1
381 1 43 ILE QG 1 64 ASP QB . . 3.390 3.182 2.022 3.433 0.043 10 0 "[ . 1 . 2]" 1
382 1 43 ILE QG 1 65 PHE HA 4.394 . 4.394 2.663 2.344 2.848 . 0 0 "[ . 1 . 2]" 1
383 1 43 ILE QG 1 66 ILE H 4.065 . 4.065 3.725 3.297 4.129 0.064 6 0 "[ . 1 . 2]" 1
384 1 43 ILE QG 1 66 ILE QG 3.155 . 3.155 1.805 1.722 2.082 0.078 5 0 "[ . 1 . 2]" 1
385 1 43 ILE QG 1 44 GLU H 3.687 . 3.687 4.290 4.161 4.364 0.677 12 19 "[**-** *****+********]" 1
386 1 43 ILE QG 1 48 LYS QD 2.200 . 2.200 4.805 3.859 5.107 2.907 15 20 [*****-********+*****] 1
387 1 43 ILE QG 1 48 LYS QG 2.206 . 2.206 4.962 3.930 5.144 2.938 8 20 [*****-*+************] 1
388 1 43 ILE QG 1 57 THR MG 3.841 . 3.841 3.436 1.692 4.713 0.872 9 5 "[ *- *+1 *. 2]" 1
389 1 43 ILE QG 1 64 ASP QB 3.984 . 3.984 3.637 2.989 4.654 0.670 6 1 "[ .+ 1 . 2]" 1
390 1 43 ILE QG 1 65 PHE HA . . 4.088 2.761 2.350 4.332 0.244 6 0 "[ . 1 . 2]" 1
391 1 43 ILE QG 1 65 PHE QB 4.345 . 4.345 4.331 3.962 5.517 1.172 6 1 "[ .+ 1 . 2]" 1
392 1 43 ILE QG 1 65 PHE QD 4.913 . 4.913 4.918 4.625 6.258 1.345 6 1 "[ .+ 1 . 2]" 1
393 1 43 ILE QG 1 66 ILE H 5.083 . 5.083 3.777 3.316 4.653 . 0 0 "[ . 1 . 2]" 1
394 1 43 ILE QG 1 66 ILE QG 2.334 . 2.334 1.809 1.725 2.101 0.075 5 0 "[ . 1 . 2]" 1
395 1 44 GLU H 1 44 GLU QB 3.687 . 3.687 2.142 1.971 2.290 . 0 0 "[ . 1 . 2]" 1
396 1 44 GLU H 1 45 LEU H . . 3.687 2.728 2.556 3.004 . 0 0 "[ . 1 . 2]" 1
397 1 44 GLU HA 1 44 GLU QB 2.596 . 2.596 2.425 2.349 2.529 . 0 0 "[ . 1 . 2]" 1
398 1 44 GLU HA 1 44 GLU QG 2.606 . 2.606 2.373 2.194 2.527 . 0 0 "[ . 1 . 2]" 1
399 1 44 GLU HA 1 48 LYS H 3.628 . 3.628 3.537 3.077 3.663 0.035 8 0 "[ . 1 . 2]" 1
400 1 44 GLU QB 1 44 GLU QG 2.265 . 2.265 2.062 1.972 2.089 . 0 0 "[ . 1 . 2]" 1
401 1 44 GLU QG 1 48 LYS QD 2.876 . 2.876 2.910 2.894 2.947 0.071 6 0 "[ . 1 . 2]" 1
402 1 45 LEU HA 1 45 LEU QD 2.518 . 2.518 2.086 1.929 2.547 0.029 4 0 "[ . 1 . 2]" 1
403 1 45 LEU QB 1 45 LEU HG . . 2.635 2.322 2.160 2.402 . 0 0 "[ . 1 . 2]" 1
404 1 46 LEU HA 1 46 LEU QD 2.837 . 2.837 2.270 1.950 2.797 . 0 0 "[ . 1 . 2]" 1
405 1 46 LEU QB 1 46 LEU QD 2.808 . 2.808 1.900 1.822 1.952 . 0 0 "[ . 1 . 2]" 1
406 1 46 LEU QD 1 68 LEU HA 5.957 . 5.957 5.159 3.786 5.961 0.004 2 0 "[ . 1 . 2]" 1
407 1 47 ASP H 1 48 LYS H 3.624 . 3.624 3.657 3.609 3.686 0.062 13 0 "[ . 1 . 2]" 1
408 1 47 ASP HA 1 47 ASP QB 2.200 . 2.200 2.242 2.168 2.255 0.055 13 0 "[ . 1 . 2]" 1
409 1 47 ASP HA 1 48 LYS HA 4.223 . 4.223 4.283 4.271 4.306 0.083 14 0 "[ . 1 . 2]" 1
410 1 47 ASP HA 1 48 LYS QB 3.560 . 3.560 3.773 3.751 3.794 0.234 14 0 "[ . 1 . 2]" 1
411 1 47 ASP HA 1 49 LYS QG 3.588 . 3.588 3.618 3.458 3.660 0.072 11 0 "[ . 1 . 2]" 1
412 1 47 ASP QB 1 48 LYS HA 4.498 . 4.498 4.529 4.391 4.604 0.106 5 0 "[ . 1 . 2]" 1
413 1 47 ASP QB 1 49 LYS QB 4.411 . 4.411 4.251 3.915 4.442 0.031 13 0 "[ . 1 . 2]" 1
414 1 47 ASP QB 1 49 LYS QG 3.509 . 3.509 2.338 2.027 2.595 . 0 0 "[ . 1 . 2]" 1
415 1 47 ASP QB 1 50 ALA MB 3.801 . 3.801 2.857 2.061 3.815 0.014 6 0 "[ . 1 . 2]" 1
416 1 48 LYS H 1 48 LYS QB 3.683 . 3.683 1.984 1.936 2.092 . 0 0 "[ . 1 . 2]" 1
417 1 48 LYS HA 1 48 LYS QD 2.757 . 2.757 2.666 1.949 2.826 0.069 5 0 "[ . 1 . 2]" 1
418 1 48 LYS HA 1 48 LYS QG 2.692 . 2.692 2.205 2.095 2.539 . 0 0 "[ . 1 . 2]" 1
419 1 48 LYS QB 1 48 LYS QE 2.200 . 2.200 2.128 1.955 2.229 0.029 2 0 "[ . 1 . 2]" 1
420 1 48 LYS QD 1 48 LYS QE 2.200 . 2.200 2.028 1.970 2.070 . 0 0 "[ . 1 . 2]" 1
421 1 49 LYS HA 1 49 LYS QB 2.337 . 2.337 2.171 2.155 2.180 . 0 0 "[ . 1 . 2]" 1
422 1 49 LYS QB 1 49 LYS QG 2.200 . 2.200 2.062 2.020 2.088 . 0 0 "[ . 1 . 2]" 1
423 1 54 LEU HA 1 54 LEU QD . . 3.393 2.503 1.795 3.072 0.005 20 0 "[ . 1 . 2]" 1
424 1 54 LEU HA 1 69 THR MG 4.184 . 4.184 5.080 3.165 5.801 1.617 5 16 "[* *+** ******* -***]" 1
425 1 54 LEU HA 1 100 PHE QD 3.584 . 3.584 3.354 1.995 3.622 0.038 20 0 "[ . 1 . 2]" 1
426 1 54 LEU QB 1 100 PHE QD 4.546 . 4.546 4.448 3.762 4.584 0.038 10 0 "[ . 1 . 2]" 1
427 1 54 LEU QD 1 69 THR HB 3.712 . 3.712 2.695 1.855 3.741 0.029 10 0 "[ . 1 . 2]" 1
428 1 54 LEU QD 1 100 PHE QB 5.617 . 5.617 3.959 2.073 5.363 . 0 0 "[ . 1 . 2]" 1
429 1 54 LEU QD 1 100 PHE QD 4.004 . 4.004 2.735 1.769 4.012 0.031 6 0 "[ . 1 . 2]" 1
430 1 54 LEU QD 1 101 LEU HA . . 4.064 2.766 1.969 3.575 . 0 0 "[ . 1 . 2]" 1
431 1 54 LEU QD 1 101 LEU QB 5.010 . 5.010 2.309 1.774 4.293 0.026 13 0 "[ . 1 . 2]" 1
432 1 54 LEU QD 1 101 LEU QD 3.660 . 3.660 2.480 1.780 3.417 0.020 14 0 "[ . 1 . 2]" 1
433 1 54 LEU QD 2 29 LEU QD 4.000 . 4.000 2.341 1.797 3.853 0.003 9 0 "[ . 1 . 2]" 1
434 1 54 LEU HG 1 69 THR HB 4.528 . 4.528 3.805 2.861 4.553 0.025 10 0 "[ . 1 . 2]" 1
435 1 54 LEU HG 1 100 PHE QD 4.314 . 4.314 3.671 2.531 4.332 0.018 2 0 "[ . 1 . 2]" 1
436 1 56 PRO HA 1 57 THR H 3.916 . 3.916 2.202 2.137 2.418 . 0 0 "[ . 1 . 2]" 1
437 1 56 PRO HA 1 57 THR HB 6.000 . 6.000 4.472 4.222 5.731 . 0 0 "[ . 1 . 2]" 1
438 1 56 PRO HA 1 66 ILE QG 4.357 . 4.357 3.600 2.891 4.085 . 0 0 "[ . 1 . 2]" 1
439 1 56 PRO QB 1 58 ILE QG . . 4.848 4.239 3.972 4.652 . 0 0 "[ . 1 . 2]" 1
440 1 56 PRO QD 1 67 MET QG . . 3.206 3.269 3.219 3.357 0.151 13 0 "[ . 1 . 2]" 1
441 1 56 PRO QD 1 69 THR MG 3.026 . 3.026 3.453 2.287 4.512 1.486 18 8 "[ * * * -*. +**]" 1
442 1 56 PRO QG 1 67 MET H 4.161 . 4.161 3.801 3.190 4.172 0.011 20 0 "[ . 1 . 2]" 1
443 1 56 PRO QG 1 93 GLU QG 3.159 . 3.159 2.352 1.780 3.168 0.020 18 0 "[ . 1 . 2]" 1
444 1 57 THR H 1 57 THR HB 4.074 . 4.074 2.414 2.187 3.634 . 0 0 "[ . 1 . 2]" 1
445 1 57 THR H 1 66 ILE QG 3.724 . 3.724 5.865 5.389 6.514 2.790 6 20 [**-**+**************] 1
446 1 57 THR HA 1 57 THR MG 3.009 . 3.009 2.809 2.608 3.150 0.141 14 0 "[ . 1 . 2]" 1
447 1 57 THR HA 1 58 ILE H . . 3.754 2.344 2.318 2.376 . 0 0 "[ . 1 . 2]" 1
448 1 57 THR HA 1 58 ILE HA 4.218 . 4.218 4.320 4.288 4.346 0.128 6 0 "[ . 1 . 2]" 1
449 1 57 THR HA 1 66 ILE MD 5.203 . 5.203 4.905 4.567 5.200 . 0 0 "[ . 1 . 2]" 1
450 1 57 THR HB 1 58 ILE H 3.664 . 3.664 3.626 2.278 3.824 0.160 9 0 "[ . 1 . 2]" 1
451 1 57 THR HB 1 58 ILE HA 6.000 . 6.000 4.909 4.352 5.408 . 0 0 "[ . 1 . 2]" 1
452 1 57 THR HB 1 58 ILE QG 6.000 . 6.000 5.683 4.642 6.208 0.208 5 0 "[ . 1 . 2]" 1
453 1 57 THR HB 1 58 ILE QG 6.000 . 6.000 4.992 4.150 5.691 . 0 0 "[ . 1 . 2]" 1
454 1 57 THR HB 1 66 ILE HA 4.660 . 4.660 4.646 4.131 4.755 0.095 19 0 "[ . 1 . 2]" 1
455 1 57 THR HB 1 66 ILE QG 6.000 . 6.000 5.344 4.551 5.979 . 0 0 "[ . 1 . 2]" 1
456 1 57 THR HB 1 66 ILE QG 6.000 . 6.000 3.151 2.720 3.442 . 0 0 "[ . 1 . 2]" 1
457 1 57 THR HB 1 90 PHE QE 6.000 . 6.000 5.932 5.355 6.086 0.086 7 0 "[ . 1 . 2]" 1
458 1 57 THR MG 1 58 ILE H 3.884 . 3.884 2.229 1.843 3.830 . 0 0 "[ . 1 . 2]" 1
459 1 57 THR MG 1 58 ILE HA 2.630 . 2.630 3.154 2.851 5.228 2.598 18 2 "[ . - 1 . + 2]" 1
460 1 57 THR MG 1 59 HIS QB 5.957 . 5.957 4.827 3.630 7.171 1.214 7 2 "[ . + 1 . - 2]" 1
461 1 57 THR MG 1 64 ASP QB 3.695 . 3.695 2.802 1.896 4.271 0.576 9 1 "[ . +1 . 2]" 1
462 1 58 ILE H 1 58 ILE HB 3.723 . 3.723 3.301 2.604 3.844 0.121 19 0 "[ . 1 . 2]" 1
463 1 58 ILE H 1 58 ILE QG . . 3.519 2.906 2.377 3.864 0.345 20 0 "[ . 1 . 2]" 1
464 1 58 ILE H 1 58 ILE QG . . 4.130 2.699 2.207 3.279 . 0 0 "[ . 1 . 2]" 1
465 1 58 ILE HA 1 58 ILE MD 3.145 . 3.145 3.301 3.158 3.442 0.297 7 0 "[ . 1 . 2]" 1
466 1 58 ILE HA 1 58 ILE QG 3.481 . 3.481 2.846 1.919 3.482 0.001 19 0 "[ . 1 . 2]" 1
467 1 58 ILE HA 1 58 ILE QG 3.086 . 3.086 2.187 1.891 2.585 . 0 0 "[ . 1 . 2]" 1
468 1 58 ILE HA 1 59 HIS H 3.093 . 3.093 2.407 2.188 2.564 . 0 0 "[ . 1 . 2]" 1
469 1 58 ILE HA 1 59 HIS QB 5.052 . 5.052 4.543 4.386 4.694 . 0 0 "[ . 1 . 2]" 1
470 1 58 ILE HA 1 87 LEU QD 5.022 . 5.022 4.560 4.311 4.812 . 0 0 "[ . 1 . 2]" 1
471 1 58 ILE HA 1 90 PHE QD 4.719 . 4.719 3.872 3.383 4.103 . 0 0 "[ . 1 . 2]" 1
472 1 58 ILE HA 1 90 PHE HZ 3.977 . 3.977 2.363 1.781 3.837 0.019 8 0 "[ . 1 . 2]" 1
473 1 58 ILE HB 1 58 ILE MD 3.599 . 3.599 2.766 2.036 3.161 . 0 0 "[ . 1 . 2]" 1
474 1 58 ILE HB 1 60 ILE QG 4.932 . 4.932 3.801 2.347 4.923 . 0 0 "[ . 1 . 2]" 1
475 1 58 ILE HB 1 60 ILE QG 4.727 . 4.727 2.799 2.293 3.574 . 0 0 "[ . 1 . 2]" 1
476 1 58 ILE HB 1 64 ASP HA 4.783 . 4.783 4.812 4.372 4.967 0.184 10 0 "[ . 1 . 2]" 1
477 1 58 ILE HB 1 87 LEU QD 2.933 . 2.933 3.060 2.934 3.233 0.300 14 0 "[ . 1 . 2]" 1
478 1 58 ILE HB 1 90 PHE HZ 4.689 . 4.689 4.151 3.293 4.838 0.149 20 0 "[ . 1 . 2]" 1
479 1 58 ILE MD 1 60 ILE QG 3.661 . 3.661 3.232 1.463 3.827 0.337 19 0 "[ . 1 . 2]" 1
480 1 58 ILE MD 1 65 PHE QD 6.000 . 6.000 3.609 1.947 5.463 . 0 0 "[ . 1 . 2]" 1
481 1 58 ILE MD 1 87 LEU QD 3.810 . 3.810 2.537 1.667 3.248 0.133 14 0 "[ . 1 . 2]" 1
482 1 58 ILE QG 1 65 PHE QB 4.376 . 4.376 3.006 1.870 3.670 . 0 0 "[ . 1 . 2]" 1
483 1 58 ILE QG 1 87 LEU QD 3.554 . 3.554 1.848 1.656 2.421 0.144 2 0 "[ . 1 . 2]" 1
484 1 58 ILE QG 1 90 PHE QB 5.106 . 5.106 2.812 2.432 4.074 . 0 0 "[ . 1 . 2]" 1
485 1 58 ILE QG 1 90 PHE QD 2.809 . 2.809 2.484 1.839 2.872 0.063 10 0 "[ . 1 . 2]" 1
486 1 58 ILE QG 1 90 PHE QE 4.125 . 4.125 2.531 1.828 3.268 . 0 0 "[ . 1 . 2]" 1
487 1 58 ILE QG 1 93 GLU QB 5.244 . 5.244 3.579 2.990 4.139 . 0 0 "[ . 1 . 2]" 1
488 1 58 ILE QG 1 60 ILE H 3.418 . 3.418 4.345 2.786 6.051 2.633 4 10 "[ **+* **1 *. ** -]" 1
489 1 58 ILE QG 1 65 PHE QB . . 4.290 3.310 1.922 5.148 0.858 18 3 "[ - 1 . + *]" 1
490 1 58 ILE QG 1 65 PHE QD 5.164 . 5.164 3.592 1.920 5.482 0.318 18 0 "[ . 1 . 2]" 1
491 1 58 ILE MG 1 60 ILE QG 2.696 . 2.696 3.565 1.914 5.001 2.305 19 12 "[* .** *******- +2]" 1
492 1 59 HIS H 1 59 HIS QB 3.916 . 3.916 2.829 2.637 3.232 . 0 0 "[ . 1 . 2]" 1
493 1 59 HIS H 1 60 ILE H 3.607 . 3.607 3.551 3.399 3.707 0.100 8 0 "[ . 1 . 2]" 1
494 1 59 HIS H 1 90 PHE QD 3.488 . 3.488 3.677 3.617 3.759 0.271 4 0 "[ . 1 . 2]" 1
495 1 59 HIS HA 1 60 ILE H 6.000 . 6.000 2.213 2.151 2.288 . 0 0 "[ . 1 . 2]" 1
496 1 59 HIS QB 1 60 ILE H 3.493 . 3.493 3.710 3.659 3.751 0.258 10 0 "[ . 1 . 2]" 1
497 1 59 HIS QB 1 90 PHE HZ 4.740 . 4.740 3.396 2.629 4.159 . 0 0 "[ . 1 . 2]" 1
498 1 60 ILE HA 1 60 ILE MD 4.121 . 4.121 4.021 3.664 4.148 0.027 9 0 "[ . 1 . 2]" 1
499 1 60 ILE HA 1 61 ASP H 4.015 . 4.015 2.593 2.329 2.795 . 0 0 "[ . 1 . 2]" 1
500 1 60 ILE HA 1 87 LEU QB 4.966 . 4.966 4.745 4.317 4.995 0.029 4 0 "[ . 1 . 2]" 1
501 1 60 ILE HB 1 60 ILE MD . . 3.270 2.167 1.994 3.209 . 0 0 "[ . 1 . 2]" 1
502 1 60 ILE HB 1 61 ASP H 3.625 . 3.625 2.171 1.896 3.564 . 0 0 "[ . 1 . 2]" 1
503 1 60 ILE MD 1 65 PHE QB 4.714 . 4.714 4.137 3.422 4.770 0.056 19 0 "[ . 1 . 2]" 1
504 1 60 ILE MD 1 65 PHE QD 4.012 . 4.012 2.879 1.890 3.616 . 0 0 "[ . 1 . 2]" 1
505 1 60 ILE MD 1 84 VAL QG 4.457 . 4.457 3.334 2.815 4.464 0.007 14 0 "[ . 1 . 2]" 1
506 1 60 ILE MD 1 87 LEU QD 3.810 . 3.810 3.502 1.764 3.860 0.050 18 0 "[ . 1 . 2]" 1
507 1 60 ILE QG 1 61 ASP QB 5.452 . 5.452 4.070 2.779 4.529 . 0 0 "[ . 1 . 2]" 1
508 1 60 ILE QG 1 62 GLU H 3.408 . 3.408 2.586 1.905 2.903 . 0 0 "[ . 1 . 2]" 1
509 1 60 ILE QG 1 62 GLU QB 4.975 . 4.975 2.872 2.047 3.237 . 0 0 "[ . 1 . 2]" 1
510 1 60 ILE QG 1 65 PHE QD 6.000 . 6.000 2.381 1.939 3.413 . 0 0 "[ . 1 . 2]" 1
511 1 60 ILE QG 1 85 ASN QB 3.802 . 3.802 3.506 2.528 3.840 0.038 9 0 "[ . 1 . 2]" 1
512 1 60 ILE QG 1 87 LEU QB 3.455 . 3.455 2.202 1.888 2.650 . 0 0 "[ . 1 . 2]" 1
513 1 60 ILE QG 1 87 LEU QD 2.200 . 2.200 2.241 2.155 2.314 0.114 15 0 "[ . 1 . 2]" 1
514 1 60 ILE QG 1 90 PHE QE 5.015 . 5.015 3.283 2.710 4.046 . 0 0 "[ . 1 . 2]" 1
515 1 60 ILE QG 1 90 PHE HZ 4.597 . 4.597 4.695 4.614 4.805 0.208 2 0 "[ . 1 . 2]" 1
516 1 60 ILE QG 1 62 GLU H 2.955 . 2.955 2.757 1.908 4.963 2.008 15 1 "[ . 1 + 2]" 1
517 1 60 ILE QG 1 63 GLY H 3.467 . 3.467 2.544 1.965 4.832 1.365 15 1 "[ . 1 + 2]" 1
518 1 60 ILE QG 1 87 LEU QD 2.716 . 2.716 3.671 2.340 4.247 1.531 13 19 [********-***+*.*****] 1
519 1 61 ASP H 1 61 ASP QB 3.769 . 3.769 2.296 2.090 2.568 . 0 0 "[ . 1 . 2]" 1
520 1 61 ASP H 1 62 GLU H 2.955 . 2.955 2.831 2.471 2.966 0.011 10 0 "[ . 1 . 2]" 1
521 1 61 ASP HA 1 63 GLY H 3.611 . 3.611 3.664 3.628 3.699 0.088 14 0 "[ . 1 . 2]" 1
522 1 61 ASP QB 1 62 GLU H 2.955 . 2.955 2.615 2.360 2.972 0.017 4 0 "[ . 1 . 2]" 1
523 1 62 GLU H 1 62 GLU HA 2.955 . 2.955 2.836 2.755 2.888 . 0 0 "[ . 1 . 2]" 1
524 1 62 GLU H 1 62 GLU QB 2.955 . 2.955 2.454 2.093 2.657 . 0 0 "[ . 1 . 2]" 1
525 1 62 GLU H 1 63 GLY H 2.955 . 2.955 2.645 2.503 2.841 . 0 0 "[ . 1 . 2]" 1
526 1 62 GLU HA 1 62 GLU QG 3.333 . 3.333 2.683 2.250 3.157 . 0 0 "[ . 1 . 2]" 1
527 1 62 GLU QG 1 84 VAL QG 3.495 . 3.495 2.618 1.810 3.384 . 0 0 "[ . 1 . 2]" 1
528 1 62 GLU QG 1 85 ASN QB 6.000 . 6.000 3.565 2.109 5.149 . 0 0 "[ . 1 . 2]" 1
529 1 64 ASP H 1 64 ASP QB 3.166 . 3.166 2.460 2.182 3.189 0.023 19 0 "[ . 1 . 2]" 1
530 1 64 ASP HA 1 65 PHE H 3.235 . 3.235 2.212 2.125 2.332 . 0 0 "[ . 1 . 2]" 1
531 1 64 ASP HA 1 65 PHE HA 4.651 . 4.651 4.448 4.387 4.491 . 0 0 "[ . 1 . 2]" 1
532 1 65 PHE HA 1 66 ILE H 3.809 . 3.809 2.759 2.727 2.821 . 0 0 "[ . 1 . 2]" 1
533 1 65 PHE QB 1 66 ILE H 4.130 . 4.130 2.133 2.080 2.246 . 0 0 "[ . 1 . 2]" 1
534 1 65 PHE QB 1 66 ILE HA 4.142 . 4.142 4.013 3.920 4.100 . 0 0 "[ . 1 . 2]" 1
535 1 65 PHE QB 1 66 ILE QG 3.958 . 3.958 3.987 3.882 4.063 0.105 9 0 "[ . 1 . 2]" 1
536 1 66 ILE H 1 66 ILE HB 4.114 . 4.114 3.689 3.566 3.808 . 0 0 "[ . 1 . 2]" 1
537 1 66 ILE HA 1 66 ILE MD . . 3.260 3.410 3.373 3.454 0.194 16 0 "[ . 1 . 2]" 1
538 1 66 ILE HA 1 66 ILE QG . . 3.874 3.255 3.129 3.327 . 0 0 "[ . 1 . 2]" 1
539 1 66 ILE HA 1 66 ILE QG . . 3.260 1.997 1.910 2.154 . 0 0 "[ . 1 . 2]" 1
540 1 66 ILE HA 1 67 MET H 3.285 . 3.285 2.132 2.081 2.165 . 0 0 "[ . 1 . 2]" 1
541 1 66 ILE QG 1 66 ILE MG . . 3.132 2.091 2.070 2.127 . 0 0 "[ . 1 . 2]" 1
542 1 66 ILE QG 1 68 LEU QD 4.058 . 4.058 3.982 3.618 4.106 0.048 5 0 "[ . 1 . 2]" 1
543 1 67 MET H 1 67 MET QG 3.514 . 3.514 2.591 1.906 3.638 0.124 17 0 "[ . 1 . 2]" 1
544 1 67 MET HA 1 67 MET QG 3.976 . 3.976 2.348 2.016 2.591 . 0 0 "[ . 1 . 2]" 1
545 1 67 MET HA 1 68 LEU H 3.920 . 3.920 2.152 2.106 2.209 . 0 0 "[ . 1 . 2]" 1
546 1 68 LEU HA 1 68 LEU QD 3.641 . 3.641 2.419 1.888 2.892 . 0 0 "[ . 1 . 2]" 1
547 1 68 LEU HA 1 69 THR H . . 4.437 2.330 2.209 2.354 . 0 0 "[ . 1 . 2]" 1
548 1 68 LEU QB 1 71 GLN H 3.830 . 3.830 3.861 3.684 3.931 0.101 19 0 "[ . 1 . 2]" 1
549 1 68 LEU QD 1 71 GLN QG . . 3.985 2.987 1.798 3.846 0.002 1 0 "[ . 1 . 2]" 1
550 1 69 THR HA 1 69 THR MG 3.211 . 3.211 2.277 2.008 3.221 0.010 3 0 "[ . 1 . 2]" 1
551 1 69 THR HA 1 101 LEU QD 4.308 . 4.308 3.179 2.541 3.862 . 0 0 "[ . 1 . 2]" 1
552 1 69 THR HB 1 101 LEU QD 3.168 . 3.168 2.351 1.780 3.278 0.110 16 0 "[ . 1 . 2]" 1
553 1 69 THR MG 1 97 ALA HA 4.296 . 4.296 3.235 2.220 4.736 0.440 19 0 "[ . 1 . 2]" 1
554 1 69 THR MG 1 97 ALA MB 3.608 . 3.608 2.051 1.786 3.462 0.014 20 0 "[ . 1 . 2]" 1
555 1 69 THR MG 1 98 ILE H 4.114 . 4.114 4.081 3.674 5.728 1.614 3 2 "[ -+ . 1 . 2]" 1
556 1 69 THR MG 1 98 ILE HA 3.719 . 3.719 4.083 3.798 5.707 1.988 3 3 "[ *+ . 1 .- 2]" 1
557 1 69 THR MG 1 100 PHE QD 6.000 . 6.000 5.273 3.523 6.231 0.231 14 0 "[ . 1 . 2]" 1
558 1 69 THR MG 1 101 LEU QB . . 3.362 2.671 1.819 3.522 0.160 13 0 "[ . 1 . 2]" 1
559 1 69 THR MG 1 101 LEU QD . . 3.057 1.859 1.750 3.116 0.059 3 0 "[ . 1 . 2]" 1
560 1 71 GLN H 1 72 MET H 4.085 . 4.085 2.228 1.980 2.642 . 0 0 "[ . 1 . 2]" 1
561 1 71 GLN H 1 72 MET QB 3.561 . 3.561 3.627 3.592 3.685 0.124 19 0 "[ . 1 . 2]" 1
562 1 71 GLN HA 1 71 GLN QG 3.403 . 3.403 2.410 2.037 2.915 . 0 0 "[ . 1 . 2]" 1
563 1 71 GLN HA 2 34 THR HB 5.000 . 5.000 4.965 4.697 5.039 0.039 11 0 "[ . 1 . 2]" 1
564 1 71 GLN HA 2 74 SER HA 5.000 . 5.000 4.987 4.725 5.112 0.112 8 0 "[ . 1 . 2]" 1
565 1 71 GLN QB 1 73 THR MG 3.672 . 3.672 3.514 2.972 3.709 0.037 20 0 "[ . 1 . 2]" 1
566 1 71 GLN QG 2 74 SER QB 5.000 . 5.000 3.748 2.898 4.804 . 0 0 "[ . 1 . 2]" 1
567 1 72 MET H 1 72 MET QB . . 3.916 2.646 2.037 2.976 . 0 0 "[ . 1 . 2]" 1
568 1 72 MET HA 1 72 MET QG 3.815 . 3.815 2.259 2.123 2.412 . 0 0 "[ . 1 . 2]" 1
569 1 72 MET HA 1 73 THR H . . 3.093 2.175 2.120 2.285 . 0 0 "[ . 1 . 2]" 1
570 1 72 MET QB 1 101 LEU QD 3.301 . 3.301 3.046 2.153 3.411 0.110 19 0 "[ . 1 . 2]" 1
571 1 72 MET QB 2 36 LEU QD 4.000 . 4.000 2.396 1.796 3.013 0.004 12 0 "[ . 1 . 2]" 1
572 1 72 MET QG 1 73 THR H . . 3.093 2.874 2.156 3.140 0.047 19 0 "[ . 1 . 2]" 1
573 1 72 MET QG 1 73 THR HA 5.131 . 5.131 4.173 3.583 4.651 . 0 0 "[ . 1 . 2]" 1
574 1 73 THR H 1 73 THR MG . . 3.221 2.459 1.962 3.448 0.227 16 0 "[ . 1 . 2]" 1
575 1 73 THR HA 1 74 SER H 6.000 . 6.000 2.203 2.157 2.269 . 0 0 "[ . 1 . 2]" 1
576 1 73 THR MG 1 75 VAL QG 6.000 . 6.000 3.484 2.582 4.696 . 0 0 "[ . 1 . 2]" 1
577 1 74 SER H 1 74 SER QB 3.221 . 3.221 2.517 2.112 2.896 . 0 0 "[ . 1 . 2]" 1
578 1 74 SER HA 1 75 VAL H 3.685 . 3.685 2.111 2.084 2.151 . 0 0 "[ . 1 . 2]" 1
579 1 74 SER HA 1 75 VAL QG 4.156 . 4.156 3.328 3.065 4.206 0.050 13 0 "[ . 1 . 2]" 1
580 1 74 SER HA 2 71 GLN HA 5.000 . 5.000 4.955 4.536 5.057 0.057 14 0 "[ . 1 . 2]" 1
581 1 74 SER QB 1 75 VAL QG 6.000 . 6.000 4.297 4.080 4.693 . 0 0 "[ . 1 . 2]" 1
582 1 74 SER QB 2 71 GLN QG 5.000 . 5.000 3.633 2.736 4.289 . 0 0 "[ . 1 . 2]" 1
583 1 75 VAL H 1 75 VAL QG . . 3.754 1.900 1.788 2.617 0.012 5 0 "[ . 1 . 2]" 1
584 1 75 VAL HA 1 76 PRO QD 4.447 . 4.447 1.962 1.923 1.996 . 0 0 "[ . 1 . 2]" 1
585 1 75 VAL HA 1 76 PRO QG 3.866 . 3.866 3.872 3.839 3.900 0.034 19 0 "[ . 1 . 2]" 1
586 1 75 VAL HA 1 79 ILE MD 3.964 . 3.964 3.543 2.723 4.124 0.160 11 0 "[ . 1 . 2]" 1
587 1 75 VAL HB 1 76 PRO QD 3.870 . 3.870 3.726 3.363 3.945 0.075 13 0 "[ . 1 . 2]" 1
588 1 75 VAL HB 1 79 ILE MD 3.190 . 3.190 3.201 2.879 3.412 0.222 13 0 "[ . 1 . 2]" 1
589 1 75 VAL QG 1 79 ILE MD 3.488 . 3.488 2.247 1.519 3.350 0.281 13 0 "[ . 1 . 2]" 1
590 1 75 VAL QG 1 80 LEU QD . . 4.411 2.394 1.756 3.842 0.044 9 0 "[ . 1 . 2]" 1
591 1 76 PRO HA 1 76 PRO QG 3.706 . 3.706 2.837 2.793 2.876 . 0 0 "[ . 1 . 2]" 1
592 1 76 PRO HA 1 77 VAL H 4.655 . 4.655 2.149 2.110 2.230 . 0 0 "[ . 1 . 2]" 1
593 1 76 PRO QB 1 78 LYS H . . 3.251 3.063 2.984 3.292 0.041 18 0 "[ . 1 . 2]" 1
594 1 76 PRO QB 1 79 ILE H 4.795 . 4.795 2.895 2.523 3.306 . 0 0 "[ . 1 . 2]" 1
595 1 76 PRO QB 1 79 ILE QG 3.139 . 3.139 2.514 1.821 3.154 0.015 6 0 "[ . 1 . 2]" 1
596 1 76 PRO QD 1 79 ILE QG 4.166 . 4.166 2.989 2.229 3.829 . 0 0 "[ . 1 . 2]" 1
597 1 76 PRO QG 1 78 LYS QE 5.022 . 5.022 4.368 3.199 5.023 0.001 19 0 "[ . 1 . 2]" 1
598 1 77 VAL H 1 77 VAL QG 4.213 . 4.213 2.212 1.870 2.386 . 0 0 "[ . 1 . 2]" 1
599 1 77 VAL H 1 80 LEU QD 4.105 . 4.105 3.924 3.431 4.168 0.063 14 0 "[ . 1 . 2]" 1
600 1 77 VAL HA 1 77 VAL HB . . 2.788 2.445 2.368 2.462 . 0 0 "[ . 1 . 2]" 1
601 1 77 VAL HA 1 77 VAL QG . . 2.947 2.290 2.241 2.340 . 0 0 "[ . 1 . 2]" 1
602 1 77 VAL HA 1 80 LEU QB 4.605 . 4.605 2.247 1.883 3.453 . 0 0 "[ . 1 . 2]" 1
603 1 77 VAL HA 1 80 LEU QD . . 3.791 2.189 1.813 2.765 . 0 0 "[ . 1 . 2]" 1
604 1 77 VAL QG 1 78 LYS H 3.791 . 3.791 1.869 1.834 1.902 . 0 0 "[ . 1 . 2]" 1
605 1 77 VAL QG 1 78 LYS HA 2.937 . 2.937 2.948 2.912 2.982 0.045 17 0 "[ . 1 . 2]" 1
606 1 77 VAL QG 1 78 LYS QE 3.734 . 3.734 3.254 1.933 3.747 0.013 14 0 "[ . 1 . 2]" 1
607 1 77 VAL QG 1 78 LYS QG 3.173 . 3.173 3.209 3.175 3.261 0.088 14 0 "[ . 1 . 2]" 1
608 1 77 VAL QG 1 80 LEU QB 5.037 . 5.037 3.068 2.771 3.706 . 0 0 "[ . 1 . 2]" 1
609 1 77 VAL QG 1 80 LEU QD . . 4.664 2.726 1.948 3.409 . 0 0 "[ . 1 . 2]" 1
610 1 78 LYS H 1 78 LYS QB 3.687 . 3.687 2.939 2.913 2.972 . 0 0 "[ . 1 . 2]" 1
611 1 78 LYS H 1 78 LYS QG 3.282 . 3.282 1.937 1.830 2.011 . 0 0 "[ . 1 . 2]" 1
612 1 78 LYS H 1 79 ILE H 4.655 . 4.655 3.001 2.854 3.110 . 0 0 "[ . 1 . 2]" 1
613 1 78 LYS HA 1 78 LYS QB 2.330 . 2.330 2.138 2.134 2.143 . 0 0 "[ . 1 . 2]" 1
614 1 78 LYS HA 1 78 LYS QD 2.878 . 2.878 2.993 2.957 3.016 0.138 1 0 "[ . 1 . 2]" 1
615 1 78 LYS HA 1 78 LYS QG 3.218 . 3.218 3.356 3.322 3.383 0.165 4 0 "[ . 1 . 2]" 1
616 1 78 LYS QB 1 78 LYS QE 3.739 . 3.739 2.986 2.461 3.658 . 0 0 "[ . 1 . 2]" 1
617 1 78 LYS QB 1 78 LYS QG 2.310 . 2.310 2.009 2.008 2.012 . 0 0 "[ . 1 . 2]" 1
618 1 78 LYS QB 1 79 ILE HA 3.568 . 3.568 3.704 3.677 3.724 0.156 15 0 "[ . 1 . 2]" 1
619 1 78 LYS QD 1 78 LYS QE 2.200 . 2.200 2.040 1.985 2.091 . 0 0 "[ . 1 . 2]" 1
620 1 78 LYS QD 1 78 LYS QG 2.200 . 2.200 2.041 2.031 2.069 . 0 0 "[ . 1 . 2]" 1
621 1 78 LYS QE 1 78 LYS QG 3.279 . 3.279 2.156 1.994 2.621 . 0 0 "[ . 1 . 2]" 1
622 1 78 LYS QG 1 79 ILE QG 2.373 . 2.373 2.513 2.455 2.589 0.216 16 0 "[ . 1 . 2]" 1
623 1 79 ILE H 1 79 ILE QG . . 4.195 1.804 1.775 1.860 0.025 15 0 "[ . 1 . 2]" 1
624 1 79 ILE H 1 80 LEU H 2.973 . 2.973 2.745 2.262 2.904 . 0 0 "[ . 1 . 2]" 1
625 1 79 ILE HA 1 79 ILE HB 2.748 . 2.748 2.531 2.226 2.757 0.009 14 0 "[ . 1 . 2]" 1
626 1 79 ILE HA 1 79 ILE MD 3.468 . 3.468 3.647 3.442 3.842 0.374 18 0 "[ . 1 . 2]" 1
627 1 79 ILE HA 1 79 ILE QG . . 2.776 2.189 1.930 2.541 . 0 0 "[ . 1 . 2]" 1
628 1 79 ILE HB 1 79 ILE MD . . 3.142 2.603 2.271 3.067 . 0 0 "[ . 1 . 2]" 1
629 1 79 ILE QG 1 80 LEU HA 5.022 . 5.022 4.315 3.467 4.889 . 0 0 "[ . 1 . 2]" 1
630 1 80 LEU HA 1 80 LEU QD . . 3.144 1.906 1.798 2.082 0.002 6 0 "[ . 1 . 2]" 1
631 1 80 LEU HA 1 81 SER H 3.429 . 3.429 2.401 2.047 3.544 0.115 5 0 "[ . 1 . 2]" 1
632 1 81 SER QB 1 82 GLU H 5.295 . 5.295 3.366 2.780 3.730 . 0 0 "[ . 1 . 2]" 1
633 1 82 GLU HA 1 82 GLU QB 2.716 . 2.716 2.527 2.445 2.567 . 0 0 "[ . 1 . 2]" 1
634 1 82 GLU HA 1 82 GLU QG 2.810 . 2.810 2.121 1.988 2.217 . 0 0 "[ . 1 . 2]" 1
635 1 82 GLU HA 1 83 PRO QD . . 3.013 2.006 1.924 2.047 . 0 0 "[ . 1 . 2]" 1
636 1 82 GLU QB 1 83 PRO QD 3.869 . 3.869 3.741 3.629 3.824 . 0 0 "[ . 1 . 2]" 1
637 1 82 GLU QG 1 83 PRO QD . . 2.942 2.949 2.882 2.995 0.053 5 0 "[ . 1 . 2]" 1
638 1 83 PRO HA 1 83 PRO QD 3.490 . 3.490 3.209 2.931 3.362 . 0 0 "[ . 1 . 2]" 1
639 1 83 PRO HA 1 83 PRO QG 3.551 . 3.551 2.755 2.622 2.856 . 0 0 "[ . 1 . 2]" 1
640 1 83 PRO HA 1 84 VAL H 5.178 . 5.178 2.223 2.116 2.365 . 0 0 "[ . 1 . 2]" 1
641 1 84 VAL H 1 84 VAL QG 3.956 . 3.956 1.883 1.789 1.991 0.011 15 0 "[ . 1 . 2]" 1
642 1 84 VAL HA 1 84 VAL HB 2.778 . 2.778 2.478 2.410 2.604 . 0 0 "[ . 1 . 2]" 1
643 1 84 VAL HA 1 84 VAL QG . . 2.738 2.285 2.154 2.354 . 0 0 "[ . 1 . 2]" 1
644 1 84 VAL QG 1 85 ASN H 4.195 . 4.195 1.958 1.863 2.061 . 0 0 "[ . 1 . 2]" 1
645 1 84 VAL QG 1 85 ASN QB 4.601 . 4.601 2.476 2.229 2.991 . 0 0 "[ . 1 . 2]" 1
646 1 85 ASN HA 1 86 GLU H 2.906 . 2.906 2.953 2.913 2.988 0.082 17 0 "[ . 1 . 2]" 1
647 1 85 ASN QB 1 86 GLU H 3.945 . 3.945 1.965 1.874 2.047 . 0 0 "[ . 1 . 2]" 1
648 1 86 GLU H 1 86 GLU QB 3.615 . 3.615 3.075 2.754 3.338 . 0 0 "[ . 1 . 2]" 1
649 1 86 GLU H 1 87 LEU HA 4.412 2.800 4.412 4.535 4.481 4.581 0.169 4 0 "[ . 1 . 2]" 1
650 1 86 GLU HA 1 86 GLU QG 3.835 . 3.835 2.846 2.290 3.470 . 0 0 "[ . 1 . 2]" 1
651 1 86 GLU HA 1 87 LEU QD 3.709 . 3.709 3.213 2.724 3.371 . 0 0 "[ . 1 . 2]" 1
652 1 86 GLU QB 1 87 LEU QD 4.144 . 4.144 4.120 3.779 4.191 0.047 8 0 "[ . 1 . 2]" 1
653 1 86 GLU QB 1 88 SER H 4.900 . 4.900 3.533 3.315 3.655 . 0 0 "[ . 1 . 2]" 1
654 1 86 GLU QG 1 87 LEU QD 5.217 . 5.217 4.857 4.214 5.123 . 0 0 "[ . 1 . 2]" 1
655 1 87 LEU H 1 87 LEU QB 3.687 . 3.687 3.091 2.832 3.250 . 0 0 "[ . 1 . 2]" 1
656 1 87 LEU H 1 88 SER H 3.710 . 3.710 3.281 3.108 3.529 . 0 0 "[ . 1 . 2]" 1
657 1 87 LEU HA 1 87 LEU QD 2.892 . 2.892 3.143 3.076 3.166 0.274 9 0 "[ . 1 . 2]" 1
658 1 87 LEU HA 1 90 PHE QB 4.087 . 4.087 3.698 3.279 3.990 . 0 0 "[ . 1 . 2]" 1
659 1 87 LEU QB 1 88 SER H 3.487 . 3.487 3.796 3.742 3.865 0.378 2 0 "[ . 1 . 2]" 1
660 1 87 LEU QB 1 89 THR MG 3.649 . 3.649 3.730 3.171 5.518 1.869 8 4 "[ * + 1 . -*2]" 1
661 1 87 LEU QB 1 90 PHE QB 4.772 . 4.772 1.881 1.745 2.230 0.055 17 0 "[ . 1 . 2]" 1
662 1 87 LEU QB 1 90 PHE QD 4.432 . 4.432 2.453 1.782 3.485 0.018 4 0 "[ . 1 . 2]" 1
663 1 87 LEU QD 1 88 SER H 3.508 . 3.508 3.619 3.553 3.661 0.153 7 0 "[ . 1 . 2]" 1
664 1 87 LEU QD 1 90 PHE QB 4.261 . 4.261 2.639 2.355 3.121 . 0 0 "[ . 1 . 2]" 1
665 1 87 LEU QD 1 90 PHE QD 3.624 . 3.624 2.949 2.530 3.302 . 0 0 "[ . 1 . 2]" 1
666 1 87 LEU QD 1 90 PHE QE 3.921 . 3.921 4.064 3.985 4.148 0.227 14 0 "[ . 1 . 2]" 1
667 1 88 SER H 1 88 SER QB 3.691 . 3.691 2.700 2.497 2.951 . 0 0 "[ . 1 . 2]" 1
668 1 88 SER H 1 89 THR H 3.472 . 3.472 2.518 2.451 2.644 . 0 0 "[ . 1 . 2]" 1
669 1 88 SER H 1 90 PHE H 3.631 . 3.631 3.731 3.647 3.777 0.146 10 0 "[ . 1 . 2]" 1
670 1 88 SER HA 1 88 SER QB 2.651 . 2.651 2.257 2.149 2.345 . 0 0 "[ . 1 . 2]" 1
671 1 88 SER HA 1 90 PHE H 3.650 . 3.650 3.609 3.563 3.652 0.002 9 0 "[ . 1 . 2]" 1
672 1 88 SER HA 1 91 ARG QB . . 4.147 2.871 2.731 2.995 . 0 0 "[ . 1 . 2]" 1
673 1 88 SER HA 1 91 ARG QG 3.916 . 3.916 4.128 4.081 4.157 0.241 4 0 "[ . 1 . 2]" 1
674 1 88 SER HA 1 94 ILE MD 5.464 . 5.464 4.493 3.495 5.466 0.002 19 0 "[ . 1 . 2]" 1
675 1 88 SER QB 1 91 ARG H 4.114 . 4.114 4.220 4.186 4.265 0.151 14 0 "[ . 1 . 2]" 1
676 1 88 SER QB 1 91 ARG QB 4.530 . 4.530 3.521 3.313 3.773 . 0 0 "[ . 1 . 2]" 1
677 1 88 SER QB 1 91 ARG QD . . 4.563 3.021 2.844 3.230 . 0 0 "[ . 1 . 2]" 1
678 1 89 THR H 1 89 THR MG 4.015 . 4.015 2.520 2.361 2.603 . 0 0 "[ . 1 . 2]" 1
679 1 89 THR HA 1 89 THR HB 2.910 . 2.910 2.545 2.499 2.579 . 0 0 "[ . 1 . 2]" 1
680 1 89 THR HA 1 89 THR MG . . 2.791 3.016 2.170 3.218 0.427 2 0 "[ . 1 . 2]" 1
681 1 89 THR HA 1 91 ARG QD 4.132 . 4.132 2.842 2.752 2.951 . 0 0 "[ . 1 . 2]" 1
682 1 89 THR MG 1 90 PHE QB 2.968 . 2.968 3.441 2.836 5.197 2.229 5 4 "[ + - 1 . **2]" 1
683 1 89 THR MG 1 91 ARG QD 4.061 . 4.061 4.927 4.233 5.129 1.068 17 16 "[-***.** ********+ *]" 1
684 1 90 PHE H 1 90 PHE HA 3.093 . 3.093 2.917 2.896 2.933 . 0 0 "[ . 1 . 2]" 1
685 1 90 PHE H 1 90 PHE QB . . 3.093 2.139 2.061 2.256 . 0 0 "[ . 1 . 2]" 1
686 1 90 PHE H 1 90 PHE QD 4.015 . 4.015 3.376 2.826 3.698 . 0 0 "[ . 1 . 2]" 1
687 1 90 PHE H 1 91 ARG H 4.015 . 4.015 2.444 2.425 2.462 . 0 0 "[ . 1 . 2]" 1
688 1 90 PHE HA 1 91 ARG H 3.325 . 3.325 3.199 3.103 3.266 . 0 0 "[ . 1 . 2]" 1
689 1 90 PHE HA 1 91 ARG QG 4.377 . 4.377 3.964 3.817 4.078 . 0 0 "[ . 1 . 2]" 1
690 1 90 PHE HA 1 93 GLU QB 3.076 . 3.076 3.037 2.713 3.136 0.060 7 0 "[ . 1 . 2]" 1
691 1 90 PHE QB 1 93 GLU QB . . 3.722 2.665 2.107 3.253 . 0 0 "[ . 1 . 2]" 1
692 1 90 PHE QB 1 94 ILE QG . . 4.970 3.766 3.134 4.472 . 0 0 "[ . 1 . 2]" 1
693 1 90 PHE QD 1 93 GLU QB 4.642 . 4.642 2.344 1.820 3.584 . 0 0 "[ . 1 . 2]" 1
694 1 90 PHE QD 1 93 GLU QG 4.506 . 4.506 2.931 2.152 3.776 . 0 0 "[ . 1 . 2]" 1
695 1 91 ARG H 1 91 ARG QB . . 3.640 2.593 2.580 2.610 . 0 0 "[ . 1 . 2]" 1
696 1 91 ARG H 1 91 ARG QD 3.178 . 3.178 3.152 3.060 3.200 0.022 14 0 "[ . 1 . 2]" 1
697 1 91 ARG H 1 91 ARG QG 2.991 . 2.991 1.784 1.771 1.799 0.029 17 0 "[ . 1 . 2]" 1
698 1 91 ARG HA 1 91 ARG QG 2.787 . 2.787 3.193 3.188 3.200 0.413 19 0 "[ . 1 . 2]" 1
699 1 91 ARG HA 1 94 ILE HB 3.456 . 3.456 2.877 2.432 3.458 0.002 16 0 "[ . 1 . 2]" 1
700 1 91 ARG QB 1 91 ARG QD . . 2.259 2.024 2.013 2.047 . 0 0 "[ . 1 . 2]" 1
701 1 91 ARG QB 1 91 ARG QG . . 2.200 2.041 2.037 2.043 . 0 0 "[ . 1 . 2]" 1
702 1 91 ARG QB 1 92 ASN HA 5.083 . 5.083 4.002 3.930 4.072 . 0 0 "[ . 1 . 2]" 1
703 1 91 ARG QB 1 95 ILE QG 3.923 . 3.923 3.454 3.072 3.820 . 0 0 "[ . 1 . 2]" 1
704 1 91 ARG QD 1 91 ARG QG 2.395 . 2.395 2.027 2.023 2.038 . 0 0 "[ . 1 . 2]" 1
705 1 91 ARG QG 1 92 ASN H 2.834 . 2.834 1.986 1.856 2.135 . 0 0 "[ . 1 . 2]" 1
706 1 91 ARG QG 1 92 ASN HA 3.582 . 3.582 3.661 3.641 3.689 0.107 5 0 "[ . 1 . 2]" 1
707 1 92 ASN H 1 92 ASN QB 3.315 . 3.315 2.256 2.128 2.456 . 0 0 "[ . 1 . 2]" 1
708 1 92 ASN H 1 93 GLU H 3.916 . 3.916 2.809 2.688 2.915 . 0 0 "[ . 1 . 2]" 1
709 1 92 ASN HA 1 92 ASN QB 2.594 . 2.594 2.365 2.156 2.531 . 0 0 "[ . 1 . 2]" 1
710 1 92 ASN HA 1 95 ILE HB 4.134 . 4.134 2.136 1.918 2.657 . 0 0 "[ . 1 . 2]" 1
711 1 92 ASN HA 1 95 ILE QG 3.817 . 3.817 2.836 2.524 3.138 . 0 0 "[ . 1 . 2]" 1
712 1 92 ASN QB 1 93 GLU H 6.000 . 6.000 2.896 2.387 3.357 . 0 0 "[ . 1 . 2]" 1
713 1 92 ASN QB 1 93 GLU HA 4.605 . 4.605 4.050 3.634 4.556 . 0 0 "[ . 1 . 2]" 1
714 1 92 ASN QB 1 96 ALA H 3.431 . 3.431 3.610 3.545 3.675 0.244 5 0 "[ . 1 . 2]" 1
715 1 92 ASN QD 1 96 ALA MB 3.590 . 3.590 2.311 2.227 2.425 . 0 0 "[ . 1 . 2]" 1
716 1 93 GLU H 1 94 ILE H . . 3.830 2.808 2.715 2.971 . 0 0 "[ . 1 . 2]" 1
717 1 93 GLU HA 1 93 GLU QG . . 3.235 2.195 2.057 2.542 . 0 0 "[ . 1 . 2]" 1
718 1 93 GLU HA 1 96 ALA H 4.261 . 4.261 4.019 3.830 4.199 . 0 0 "[ . 1 . 2]" 1
719 1 93 GLU HA 1 96 ALA MB 3.445 . 3.445 2.924 2.761 3.092 . 0 0 "[ . 1 . 2]" 1
720 1 93 GLU QB 1 94 ILE H . . 3.830 2.392 2.239 2.513 . 0 0 "[ . 1 . 2]" 1
721 1 93 GLU QB 1 94 ILE HA 3.292 . 3.292 3.535 3.504 3.569 0.277 3 0 "[ . 1 . 2]" 1
722 1 93 GLU QG 1 94 ILE QG 5.114 . 5.114 4.845 4.228 5.139 0.025 6 0 "[ . 1 . 2]" 1
723 1 94 ILE H 1 94 ILE HB . . 3.830 2.468 2.192 2.928 . 0 0 "[ . 1 . 2]" 1
724 1 94 ILE H 1 94 ILE QG 4.184 . 4.184 2.621 1.854 3.129 . 0 0 "[ . 1 . 2]" 1
725 1 94 ILE HA 1 94 ILE QG 2.877 . 2.877 2.527 2.270 3.289 0.412 13 0 "[ . 1 . 2]" 1
726 1 94 ILE HA 1 95 ILE H 3.645 . 3.645 3.522 3.503 3.535 . 0 0 "[ . 1 . 2]" 1
727 1 94 ILE HA 1 97 ALA MB . . 3.739 2.921 2.494 3.185 . 0 0 "[ . 1 . 2]" 1
728 1 94 ILE HB 1 95 ILE H 4.186 . 4.186 2.654 2.530 2.780 . 0 0 "[ . 1 . 2]" 1
729 1 95 ILE H 1 95 ILE HB 3.637 . 3.637 2.550 2.372 2.633 . 0 0 "[ . 1 . 2]" 1
730 1 95 ILE H 1 96 ALA H . . 3.388 2.864 2.781 2.974 . 0 0 "[ . 1 . 2]" 1
731 1 95 ILE HA 1 98 ILE HB . . 3.709 2.797 2.318 3.532 . 0 0 "[ . 1 . 2]" 1
732 1 95 ILE HA 1 98 ILE MD . . 3.611 3.652 3.500 3.721 0.110 11 0 "[ . 1 . 2]" 1
733 1 95 ILE HB 1 96 ALA H 3.388 . 3.388 2.077 1.980 2.291 . 0 0 "[ . 1 . 2]" 1
734 1 96 ALA H 1 96 ALA MB 3.567 . 3.567 2.179 2.057 2.270 . 0 0 "[ . 1 . 2]" 1
735 1 96 ALA H 1 97 ALA H 3.350 . 3.350 2.968 2.773 3.095 . 0 0 "[ . 1 . 2]" 1
736 1 96 ALA HA 1 99 ASP H 3.969 . 3.969 3.595 3.435 3.759 . 0 0 "[ . 1 . 2]" 1
737 1 96 ALA HA 1 99 ASP HA 4.772 . 4.772 4.866 4.799 4.891 0.119 10 0 "[ . 1 . 2]" 1
738 1 96 ALA HA 1 99 ASP QB 3.133 . 3.133 2.149 2.101 2.187 . 0 0 "[ . 1 . 2]" 1
739 1 96 ALA MB 1 97 ALA H 3.906 . 3.906 2.677 2.495 2.876 . 0 0 "[ . 1 . 2]" 1
740 1 96 ALA MB 1 99 ASP QB 3.648 . 3.648 3.602 3.461 3.754 0.106 17 0 "[ . 1 . 2]" 1
741 1 97 ALA H 1 97 ALA MB 3.372 . 3.372 2.194 2.148 2.218 . 0 0 "[ . 1 . 2]" 1
742 1 97 ALA HA 1 100 PHE H 3.832 . 3.832 3.823 3.507 3.888 0.056 19 0 "[ . 1 . 2]" 1
743 1 97 ALA HA 1 100 PHE QB 3.642 . 3.642 3.378 3.148 3.520 . 0 0 "[ . 1 . 2]" 1
744 1 97 ALA HA 1 100 PHE QD 4.250 . 4.250 4.194 3.953 4.271 0.021 17 0 "[ . 1 . 2]" 1
745 1 97 ALA HA 1 101 LEU QD 3.157 . 3.157 3.392 3.302 3.477 0.320 4 0 "[ . 1 . 2]" 1
746 1 97 ALA MB 1 98 ILE H 3.141 . 3.141 1.741 1.713 1.772 0.087 9 0 "[ . 1 . 2]" 1
747 1 97 ALA MB 1 98 ILE HB 3.261 . 3.261 3.545 3.517 3.574 0.313 19 0 "[ . 1 . 2]" 1
748 1 97 ALA MB 1 100 PHE QB 5.452 . 5.452 4.655 4.513 4.769 . 0 0 "[ . 1 . 2]" 1
749 1 97 ALA MB 1 101 LEU QB 3.949 . 3.949 3.514 3.159 3.779 . 0 0 "[ . 1 . 2]" 1
750 1 98 ILE H 1 98 ILE HB 3.958 . 3.958 2.099 2.066 2.148 . 0 0 "[ . 1 . 2]" 1
751 1 98 ILE H 1 98 ILE MD 3.924 . 3.924 3.029 1.867 3.957 0.033 14 0 "[ . 1 . 2]" 1
752 1 98 ILE H 1 98 ILE QG 3.830 . 3.830 2.845 2.349 3.405 . 0 0 "[ . 1 . 2]" 1
753 1 98 ILE HA 1 98 ILE MD 3.438 . 3.438 3.024 2.353 3.512 0.074 8 0 "[ . 1 . 2]" 1
754 1 98 ILE HA 1 101 LEU QB 4.128 . 4.128 3.410 1.797 3.954 0.003 19 0 "[ . 1 . 2]" 1
755 1 98 ILE HA 1 101 LEU QD 3.410 . 3.410 2.260 1.787 3.420 0.013 3 0 "[ . 1 . 2]" 1
756 1 98 ILE HB 1 98 ILE MD . . 2.963 2.557 2.272 2.787 . 0 0 "[ . 1 . 2]" 1
757 1 98 ILE HB 1 99 ASP H 5.020 . 5.020 2.198 2.062 2.435 . 0 0 "[ . 1 . 2]" 1
758 1 98 ILE HB 1 99 ASP QB 3.397 . 3.397 3.618 3.582 3.664 0.267 19 0 "[ . 1 . 2]" 1
759 1 98 ILE MD 1 102 ILE QG 3.573 . 3.573 3.734 3.017 4.647 1.074 3 3 "[ + . 1 - . * 2]" 1
760 1 99 ASP HA 1 102 ILE H 4.181 . 4.181 4.245 4.203 4.295 0.114 10 0 "[ . 1 . 2]" 1
761 1 99 ASP HA 1 105 ILE QG 3.643 . 3.643 3.349 2.828 3.734 0.091 14 0 "[ . 1 . 2]" 1
762 1 99 ASP QB 1 100 PHE H 4.193 . 4.193 3.021 2.812 3.367 . 0 0 "[ . 1 . 2]" 1
763 1 99 ASP QB 1 103 THR MG 4.179 . 4.179 4.226 3.433 5.277 1.098 4 6 "[ +.- **1 *. * 2]" 1
764 1 100 PHE H 1 101 LEU H 3.830 . 3.830 2.056 1.868 2.201 . 0 0 "[ . 1 . 2]" 1
765 1 100 PHE H 1 101 LEU QB 3.438 . 3.438 3.586 3.370 3.680 0.242 6 0 "[ . 1 . 2]" 1
766 1 100 PHE H 1 103 THR H 3.594 . 3.594 3.749 3.671 3.848 0.254 19 0 "[ . 1 . 2]" 1
767 1 100 PHE H 1 105 ILE MD 4.150 . 4.150 4.098 3.479 4.238 0.088 14 0 "[ . 1 . 2]" 1
768 1 100 PHE HA 1 100 PHE QD 3.278 . 3.278 2.473 2.158 2.795 . 0 0 "[ . 1 . 2]" 1
769 1 100 PHE HA 1 103 THR H 3.646 . 3.646 3.611 3.387 3.722 0.076 18 0 "[ . 1 . 2]" 1
770 1 100 PHE HA 1 105 ILE H 6.000 . 6.000 2.783 1.991 4.203 . 0 0 "[ . 1 . 2]" 1
771 1 100 PHE QB 1 101 LEU H . . 4.157 2.379 2.108 2.609 . 0 0 "[ . 1 . 2]" 1
772 1 100 PHE QB 1 101 LEU QB 4.245 . 4.245 3.574 3.413 3.973 . 0 0 "[ . 1 . 2]" 1
773 1 100 PHE QD 1 104 GLY QA 4.900 . 4.900 2.286 1.918 3.090 . 0 0 "[ . 1 . 2]" 1
774 1 101 LEU HA 1 101 LEU QD . . 3.425 2.991 2.035 3.227 . 0 0 "[ . 1 . 2]" 1
775 1 101 LEU QB 1 102 ILE H 4.896 . 4.896 2.982 2.077 3.338 . 0 0 "[ . 1 . 2]" 1
776 1 101 LEU QB 1 102 ILE QG 3.186 . 3.186 3.618 1.871 4.910 1.724 11 6 "[ **.* 1+ .-* 2]" 1
777 1 101 LEU QD 1 102 ILE HA 3.344 . 3.344 3.368 2.345 3.479 0.135 9 0 "[ . 1 . 2]" 1
778 1 101 LEU QD 1 102 ILE QG 3.178 . 3.178 2.538 1.417 3.946 0.768 4 4 "[ *+. 1* . - 2]" 1
779 1 101 LEU QD 2 36 LEU QD 4.000 . 4.000 3.113 2.009 4.003 0.003 7 0 "[ . 1 . 2]" 1
780 1 101 LEU HG 1 102 ILE QG . . 3.054 2.065 1.746 3.410 0.356 15 0 "[ . 1 . 2]" 1
781 1 102 ILE H 1 102 ILE HB 4.049 . 4.049 3.059 2.618 3.756 . 0 0 "[ . 1 . 2]" 1
782 1 102 ILE H 1 102 ILE QG 4.655 . 4.655 2.273 2.022 2.626 . 0 0 "[ . 1 . 2]" 1
783 1 102 ILE H 1 102 ILE QG 4.331 . 4.331 2.121 1.917 2.394 . 0 0 "[ . 1 . 2]" 1
784 1 102 ILE H 1 103 THR H 3.924 . 3.924 2.195 2.043 2.311 . 0 0 "[ . 1 . 2]" 1
785 1 102 ILE HA 1 102 ILE QG 3.950 . 3.950 2.825 2.411 3.491 . 0 0 "[ . 1 . 2]" 1
786 1 102 ILE HA 1 102 ILE QG . . 3.345 2.228 2.075 2.509 . 0 0 "[ . 1 . 2]" 1
787 1 102 ILE HA 1 103 THR H 4.623 . 4.623 3.492 3.396 3.537 . 0 0 "[ . 1 . 2]" 1
788 1 102 ILE HA 2 25 GLN HA 4.000 . 4.000 3.966 3.508 4.072 0.072 11 0 "[ . 1 . 2]" 1
789 1 102 ILE HB 1 102 ILE MD 2.842 . 2.842 2.354 2.025 2.512 . 0 0 "[ . 1 . 2]" 1
790 1 102 ILE HB 1 103 THR MG 3.532 . 3.532 3.680 2.528 5.814 2.282 16 6 "[ . ***1 * -.+ 2]" 1
791 1 102 ILE QG 1 102 ILE MG 3.160 . 3.160 2.221 1.932 2.367 . 0 0 "[ . 1 . 2]" 1
792 1 102 ILE QG 1 103 THR HB 5.537 . 5.537 4.626 3.658 5.480 . 0 0 "[ . 1 . 2]" 1
793 1 102 ILE QG 1 103 THR MG 3.581 . 3.581 3.364 1.771 5.049 1.468 7 6 "[ . +**1 * -.* 2]" 1
794 1 103 THR HA 1 103 THR MG 3.030 . 3.030 2.574 2.108 3.192 0.162 20 0 "[ . 1 . 2]" 1
795 1 103 THR HA 1 104 GLY QA 4.256 . 4.256 4.295 4.245 4.338 0.082 12 0 "[ . 1 . 2]" 1
796 1 103 THR MG 1 105 ILE H 5.235 . 5.235 4.080 2.555 4.939 . 0 0 "[ . 1 . 2]" 1
797 1 103 THR MG 1 105 ILE HB 4.242 . 4.242 5.398 3.841 6.536 2.294 11 14 "[****** *+ *-* ***2]" 1
798 1 104 GLY H 1 105 ILE H 3.251 . 3.251 2.793 1.933 3.251 0.000 10 0 "[ . 1 . 2]" 1
799 1 105 ILE H 1 105 ILE HB 3.606 . 3.606 3.538 2.263 3.630 0.024 15 0 "[ . 1 . 2]" 1
800 1 105 ILE HA 1 105 ILE HB 3.136 . 3.136 2.685 2.501 3.014 . 0 0 "[ . 1 . 2]" 1
801 1 105 ILE HA 1 105 ILE MD . . 3.680 3.493 2.572 3.791 0.111 5 0 "[ . 1 . 2]" 1
802 1 105 ILE HA 1 105 ILE QG 2.533 . 2.533 2.128 2.011 2.202 . 0 0 "[ . 1 . 2]" 1
803 1 105 ILE HB 1 105 ILE MD 2.980 . 2.980 2.381 2.169 2.551 . 0 0 "[ . 1 . 2]" 1
804 2 2 SER HA 2 2 SER QB 2.680 . 2.680 2.350 2.183 2.553 . 0 0 "[ . 1 . 2]" 1
805 2 2 SER QB 2 32 LEU H 3.870 . 3.870 4.116 3.987 4.190 0.320 3 0 "[ . 1 . 2]" 1
806 2 3 GLN HA 2 24 VAL HA 3.984 . 3.984 3.926 3.349 4.079 0.095 19 0 "[ . 1 . 2]" 1
807 2 3 GLN QB 2 24 VAL HA . . 4.069 3.613 2.359 4.136 0.067 11 0 "[ . 1 . 2]" 1
808 2 4 PHE H 2 5 THR H 3.665 . 3.665 2.897 2.586 3.665 . 0 0 "[ . 1 . 2]" 1
809 2 4 PHE HA 2 4 PHE QD 3.209 . 3.209 2.152 1.799 2.980 0.001 1 0 "[ . 1 . 2]" 1
810 2 4 PHE HA 2 22 VAL QG . . 3.218 3.093 2.496 3.359 0.141 10 0 "[ . 1 . 2]" 1
811 2 4 PHE QB 2 22 VAL QG . . 4.756 4.547 3.994 4.715 . 0 0 "[ . 1 . 2]" 1
812 2 4 PHE QB 2 88 SER HA . . 4.117 2.752 1.945 3.742 . 0 0 "[ . 1 . 2]" 1
813 2 4 PHE QD 2 22 VAL QG 4.154 . 4.154 3.726 3.262 4.212 0.058 4 0 "[ . 1 . 2]" 1
814 2 4 PHE QD 2 88 SER HA 3.794 . 3.794 3.811 3.608 3.850 0.056 8 0 "[ . 1 . 2]" 1
815 2 4 PHE QD 2 94 ILE QG 3.624 . 3.624 2.635 2.083 2.996 . 0 0 "[ . 1 . 2]" 1
816 2 4 PHE QE 2 24 VAL HB 4.132 . 4.132 4.131 3.851 4.182 0.050 15 0 "[ . 1 . 2]" 1
817 2 4 PHE QE 2 94 ILE QG 2.951 . 2.951 4.315 2.608 5.115 2.164 12 15 "[ * ****-1*+***** **]" 1
818 2 4 PHE QE 2 98 ILE MD 5.830 . 5.830 5.632 4.958 5.863 0.033 1 0 "[ . 1 . 2]" 1
819 2 5 THR H 2 5 THR HA . . 3.093 2.931 2.828 2.945 . 0 0 "[ . 1 . 2]" 1
820 2 5 THR H 2 5 THR HB . . 2.796 2.920 2.870 2.953 0.157 5 0 "[ . 1 . 2]" 1
821 2 5 THR H 2 23 ASP QB 4.632 . 4.632 3.234 2.887 3.856 . 0 0 "[ . 1 . 2]" 1
822 2 5 THR HA 2 5 THR MG . . 3.110 2.212 2.142 2.294 . 0 0 "[ . 1 . 2]" 1
823 2 5 THR HA 2 6 LEU H . . 3.472 2.365 2.311 2.453 . 0 0 "[ . 1 . 2]" 1
824 2 5 THR HA 2 6 LEU QB 4.851 . 4.851 4.072 4.006 4.139 . 0 0 "[ . 1 . 2]" 1
825 2 5 THR HA 2 86 GLU HA . . 3.477 3.068 2.678 3.495 0.018 4 0 "[ . 1 . 2]" 1
826 2 5 THR HB 2 7 TYR QB 4.212 . 4.212 4.342 4.297 4.393 0.181 6 0 "[ . 1 . 2]" 1
827 2 5 THR MG 2 6 LEU H 3.899 . 3.899 1.980 1.905 2.074 . 0 0 "[ . 1 . 2]" 1
828 2 5 THR MG 2 6 LEU QB 3.714 . 3.714 3.667 3.531 3.740 0.026 1 0 "[ . 1 . 2]" 1
829 2 5 THR MG 2 83 PRO HA 4.536 . 4.536 3.997 3.778 4.368 . 0 0 "[ . 1 . 2]" 1
830 2 5 THR MG 2 83 PRO QB 5.142 . 5.142 3.093 2.529 3.589 . 0 0 "[ . 1 . 2]" 1
831 2 5 THR MG 2 83 PRO QG 3.345 . 3.345 3.445 3.391 3.507 0.162 2 0 "[ . 1 . 2]" 1
832 2 6 LEU HA 2 6 LEU QD 3.667 . 3.667 2.341 1.862 2.894 . 0 0 "[ . 1 . 2]" 1
833 2 6 LEU HA 2 7 TYR H 4.040 . 4.040 2.361 2.318 2.412 . 0 0 "[ . 1 . 2]" 1
834 2 6 LEU HA 2 22 VAL HA 3.969 . 3.969 3.949 3.816 4.070 0.101 6 0 "[ . 1 . 2]" 1
835 2 6 LEU QB 2 20 TYR QD 5.083 . 5.083 4.548 4.048 4.875 . 0 0 "[ . 1 . 2]" 1
836 2 6 LEU QB 2 84 VAL QG . . 4.124 3.058 2.602 3.587 . 0 0 "[ . 1 . 2]" 1
837 2 6 LEU QB 2 85 ASN H 3.916 . 3.916 2.835 2.442 3.394 . 0 0 "[ . 1 . 2]" 1
838 2 6 LEU QB 2 85 ASN QB . . 4.087 2.703 2.360 3.055 . 0 0 "[ . 1 . 2]" 1
839 2 6 LEU QB 2 87 LEU HG 4.699 . 4.699 2.678 1.753 4.599 0.047 6 0 "[ . 1 . 2]" 1
840 2 6 LEU QD 2 7 TYR H 6.000 . 6.000 3.392 2.949 3.673 . 0 0 "[ . 1 . 2]" 1
841 2 6 LEU QD 2 20 TYR QB . . 4.163 2.633 2.228 3.235 . 0 0 "[ . 1 . 2]" 1
842 2 6 LEU QD 2 20 TYR QD 4.234 . 4.234 2.175 1.780 2.902 0.020 15 0 "[ . 1 . 2]" 1
843 2 6 LEU QD 2 22 VAL QG . . 3.636 3.123 2.605 3.639 0.003 15 0 "[ . 1 . 2]" 1
844 2 6 LEU QD 2 40 LEU QD 4.370 . 4.370 2.145 1.749 2.965 0.051 1 0 "[ . 1 . 2]" 1
845 2 6 LEU QD 2 60 ILE MD 4.020 . 4.020 1.802 1.768 2.092 0.032 13 0 "[ . 1 . 2]" 1
846 2 6 LEU QD 2 62 GLU QG . . 3.946 3.468 2.304 3.984 0.038 5 0 "[ . 1 . 2]" 1
847 2 6 LEU QD 2 84 VAL QG 3.509 . 3.509 2.001 1.780 2.629 0.020 15 0 "[ . 1 . 2]" 1
848 2 6 LEU QD 2 85 ASN QB . . 3.552 2.001 1.795 2.478 0.005 3 0 "[ . 1 . 2]" 1
849 2 6 LEU QD 2 87 LEU QD 4.477 . 4.477 1.957 1.777 2.399 0.023 18 0 "[ . 1 . 2]" 1
850 2 7 TYR H 2 23 ASP H 3.621 . 3.621 3.853 3.811 3.899 0.278 18 0 "[ . 1 . 2]" 1
851 2 7 TYR HA 2 8 LYS H 4.530 . 4.530 2.041 2.018 2.075 . 0 0 "[ . 1 . 2]" 1
852 2 7 TYR HA 2 8 LYS QB . . 3.977 3.994 3.951 4.035 0.058 6 0 "[ . 1 . 2]" 1
853 2 7 TYR HA 2 20 TYR QD 4.558 2.800 4.558 4.878 4.832 4.944 0.386 7 0 "[ . 1 . 2]" 1
854 2 7 TYR HA 2 84 VAL QG . . 4.009 3.687 3.485 3.924 . 0 0 "[ . 1 . 2]" 1
855 2 7 TYR QB 2 8 LYS H 3.784 . 3.784 3.322 3.235 3.434 . 0 0 "[ . 1 . 2]" 1
856 2 7 TYR QB 2 21 PHE QB . . 3.630 3.588 3.241 3.725 0.095 15 0 "[ . 1 . 2]" 1
857 2 7 TYR QB 2 22 VAL HA 4.128 . 4.128 3.685 3.220 4.166 0.038 4 0 "[ . 1 . 2]" 1
858 2 7 TYR QB 2 23 ASP H 5.037 . 5.037 3.909 3.682 4.110 . 0 0 "[ . 1 . 2]" 1
859 2 7 TYR QB 2 37 VAL QG 4.839 . 4.839 3.684 3.467 4.269 . 0 0 "[ . 1 . 2]" 1
860 2 7 TYR QB 2 80 LEU HA 4.147 . 4.147 4.326 4.280 4.395 0.248 7 0 "[ . 1 . 2]" 1
861 2 7 TYR QB 2 80 LEU QD . . 3.851 2.538 1.959 3.538 . 0 0 "[ . 1 . 2]" 1
862 2 7 TYR QB 2 84 VAL QG 4.805 . 4.805 4.912 4.839 5.035 0.230 6 0 "[ . 1 . 2]" 1
863 2 7 TYR QD 2 87 LEU QD 3.955 . 3.955 4.205 4.158 4.238 0.283 7 0 "[ . 1 . 2]" 1
864 2 7 TYR QE 2 23 ASP QB 3.382 . 3.382 2.151 1.888 2.603 . 0 0 "[ . 1 . 2]" 1
865 2 8 LYS HA 2 8 LYS QD 3.217 . 3.217 3.156 2.302 3.580 0.363 11 0 "[ . 1 . 2]" 1
866 2 8 LYS HA 2 8 LYS QG 3.572 . 3.572 2.722 2.522 2.859 . 0 0 "[ . 1 . 2]" 1
867 2 8 LYS HA 2 9 ASN H 3.251 . 3.251 2.223 2.040 3.415 0.164 1 0 "[ . 1 . 2]" 1
868 2 8 LYS HA 2 20 TYR HA 3.768 . 3.768 2.003 1.788 2.871 0.012 17 0 "[ . 1 . 2]" 1
869 2 8 LYS HA 2 20 TYR QD 3.207 . 3.207 2.783 2.066 3.141 . 0 0 "[ . 1 . 2]" 1
870 2 8 LYS HA 2 21 PHE H 4.453 . 4.453 3.287 3.110 3.616 . 0 0 "[ . 1 . 2]" 1
871 2 8 LYS QB 2 8 LYS QE 4.147 . 4.147 3.145 2.383 3.645 . 0 0 "[ . 1 . 2]" 1
872 2 8 LYS QB 2 20 TYR QD 5.332 . 5.332 1.949 1.781 2.953 0.019 6 0 "[ . 1 . 2]" 1
873 2 8 LYS QB 2 81 SER QB 4.427 . 4.427 3.854 3.450 4.088 . 0 0 "[ . 1 . 2]" 1
874 2 8 LYS QB 2 84 VAL QG . . 3.444 1.755 1.675 1.869 0.125 6 0 "[ . 1 . 2]" 1
875 2 8 LYS QD 2 8 LYS QE 2.423 . 2.423 2.052 1.987 2.091 . 0 0 "[ . 1 . 2]" 1
876 2 8 LYS QD 2 8 LYS QG . . 2.200 2.050 2.009 2.091 . 0 0 "[ . 1 . 2]" 1
877 2 8 LYS QE 2 8 LYS QG 3.433 . 3.433 2.098 1.942 2.546 . 0 0 "[ . 1 . 2]" 1
878 2 8 LYS QG 2 9 ASN H 3.116 . 3.116 2.644 1.937 2.917 . 0 0 "[ . 1 . 2]" 1
879 2 8 LYS QG 2 9 ASN HA 4.114 . 4.114 4.225 3.863 4.304 0.190 6 0 "[ . 1 . 2]" 1
880 2 8 LYS QG 2 19 PRO QB 3.752 . 3.752 3.706 3.453 3.799 0.047 16 0 "[ . 1 . 2]" 1
881 2 9 ASN HA 2 9 ASN QB . . 2.703 2.356 2.162 2.551 . 0 0 "[ . 1 . 2]" 1
882 2 9 ASN HA 2 10 LYS H 4.011 . 4.011 2.165 2.096 2.231 . 0 0 "[ . 1 . 2]" 1
883 2 9 ASN HA 2 21 PHE QD 4.000 . 4.000 4.114 4.067 4.167 0.167 17 0 "[ . 1 . 2]" 1
884 2 9 ASN HA 2 21 PHE QE 3.401 . 3.401 2.479 1.957 2.955 . 0 0 "[ . 1 . 2]" 1
885 2 9 ASN QB 2 15 ALA HA 3.947 . 3.947 4.034 3.781 4.132 0.185 12 0 "[ . 1 . 2]" 1
886 2 9 ASN QB 2 15 ALA MB 4.380 . 4.380 3.958 3.513 4.218 . 0 0 "[ . 1 . 2]" 1
887 2 9 ASN QB 2 19 PRO HA 3.547 . 3.547 3.135 2.820 3.545 . 0 0 "[ . 1 . 2]" 1
888 2 9 ASN QB 2 20 TYR HA 4.530 . 4.530 3.718 3.158 4.015 . 0 0 "[ . 1 . 2]" 1
889 2 10 LYS H 2 10 LYS QB 3.740 . 3.740 2.961 2.933 3.032 . 0 0 "[ . 1 . 2]" 1
890 2 10 LYS H 2 10 LYS QG 3.429 . 3.429 1.821 1.712 1.980 0.088 7 0 "[ . 1 . 2]" 1
891 2 10 LYS H 2 11 ASP H 3.934 . 3.934 2.959 2.769 3.380 . 0 0 "[ . 1 . 2]" 1
892 2 10 LYS HA 2 10 LYS QB 2.799 . 2.799 2.128 2.117 2.140 . 0 0 "[ . 1 . 2]" 1
893 2 10 LYS HA 2 10 LYS QG 2.785 . 2.785 3.109 3.044 3.163 0.378 4 0 "[ . 1 . 2]" 1
894 2 10 LYS QB 2 10 LYS QD 2.581 . 2.581 2.439 2.221 2.604 0.023 12 0 "[ . 1 . 2]" 1
895 2 10 LYS QB 2 10 LYS QE . . 3.742 3.023 2.343 3.686 . 0 0 "[ . 1 . 2]" 1
896 2 10 LYS QB 2 79 ILE HA 2.947 . 2.947 2.637 2.169 2.986 0.039 15 0 "[ . 1 . 2]" 1
897 2 10 LYS QD 2 11 ASP HA 3.885 . 3.885 3.948 3.726 4.072 0.187 13 0 "[ . 1 . 2]" 1
898 2 10 LYS QD 2 14 SER QB 4.794 . 4.794 3.701 3.020 4.325 . 0 0 "[ . 1 . 2]" 1
899 2 10 LYS QD 2 81 SER HA 3.952 . 3.952 3.480 3.172 3.826 . 0 0 "[ . 1 . 2]" 1
900 2 10 LYS QD 2 82 GLU H 3.564 . 3.564 3.835 3.724 3.905 0.341 14 0 "[ . 1 . 2]" 1
901 2 10 LYS QG 2 11 ASP H 3.717 . 3.717 3.450 3.295 3.551 . 0 0 "[ . 1 . 2]" 1
902 2 10 LYS QG 2 80 LEU QD 6.000 . 6.000 5.064 4.221 5.773 . 0 0 "[ . 1 . 2]" 1
903 2 10 LYS QG 2 81 SER HA 3.651 . 3.651 3.047 2.253 3.333 . 0 0 "[ . 1 . 2]" 1
904 2 11 ASP H 2 12 LYS H 4.513 2.800 4.513 4.031 3.772 4.212 . 0 0 "[ . 1 . 2]" 1
905 2 11 ASP HA 2 11 ASP QB 2.483 . 2.483 2.485 2.169 2.558 0.075 1 0 "[ . 1 . 2]" 1
906 2 11 ASP HA 2 12 LYS H 5.411 . 5.411 2.195 2.153 2.258 . 0 0 "[ . 1 . 2]" 1
907 2 11 ASP HA 2 13 SER H 3.688 . 3.688 3.589 3.437 3.716 0.028 15 0 "[ . 1 . 2]" 1
908 2 11 ASP HA 2 82 GLU QB 3.504 . 3.504 3.441 2.581 3.813 0.309 1 0 "[ . 1 . 2]" 1
909 2 11 ASP QB 2 13 SER QB 5.396 . 5.396 3.417 2.993 4.163 . 0 0 "[ . 1 . 2]" 1
910 2 11 ASP QB 2 79 ILE QG 4.074 . 4.074 5.647 4.026 6.728 2.654 6 12 "[ * .+ * ** **** -**]" 1
911 2 11 ASP QB 2 79 ILE QG 5.261 . 5.261 4.118 3.982 4.275 . 0 0 "[ . 1 . 2]" 1
912 2 12 LYS HA 2 12 LYS QB 2.752 . 2.752 2.448 2.383 2.536 . 0 0 "[ . 1 . 2]" 1
913 2 12 LYS HA 2 12 LYS QG 2.777 . 2.777 2.199 2.018 2.327 . 0 0 "[ . 1 . 2]" 1
914 2 12 LYS HA 2 15 ALA MB 3.265 . 3.265 3.305 3.253 3.350 0.085 7 0 "[ . 1 . 2]" 1
915 2 12 LYS QE 2 84 VAL HA 4.605 . 4.605 4.195 3.499 4.607 0.002 7 0 "[ . 1 . 2]" 1
916 2 12 LYS QG 2 84 VAL HA 4.483 . 4.483 4.639 4.599 4.727 0.244 7 0 "[ . 1 . 2]" 1
917 2 13 SER HA 2 13 SER QB 2.511 . 2.511 2.358 2.176 2.508 . 0 0 "[ . 1 . 2]" 1
918 2 13 SER HA 2 16 LYS QE 4.740 . 4.740 3.754 2.555 4.741 0.001 13 0 "[ . 1 . 2]" 1
919 2 14 SER H 2 15 ALA H . . 3.282 2.694 2.652 2.733 . 0 0 "[ . 1 . 2]" 1
920 2 14 SER HA 2 18 TYR H 3.641 . 3.641 3.785 3.757 3.811 0.170 12 0 "[ . 1 . 2]" 1
921 2 14 SER QB 2 18 TYR QD . . 4.478 4.019 3.474 4.494 0.016 2 0 "[ . 1 . 2]" 1
922 2 14 SER QB 2 19 PRO HA 3.337 . 3.337 3.576 3.522 3.657 0.320 8 0 "[ . 1 . 2]" 1
923 2 15 ALA H 2 16 LYS H 3.472 . 3.472 2.919 2.884 2.957 . 0 0 "[ . 1 . 2]" 1
924 2 15 ALA HA 2 18 TYR H 4.851 . 4.851 3.267 3.166 3.435 . 0 0 "[ . 1 . 2]" 1
925 2 15 ALA HA 2 18 TYR QB 3.721 . 3.721 4.082 4.050 4.107 0.386 4 0 "[ . 1 . 2]" 1
926 2 15 ALA HA 2 19 PRO HA 3.253 . 3.253 1.804 1.766 1.874 0.034 14 0 "[ . 1 . 2]" 1
927 2 15 ALA MB 2 19 PRO HA 3.582 . 3.582 1.964 1.897 2.200 . 0 0 "[ . 1 . 2]" 1
928 2 16 LYS H 2 16 LYS QB 3.916 . 3.916 2.341 2.117 2.596 . 0 0 "[ . 1 . 2]" 1
929 2 16 LYS H 2 16 LYS QG 3.093 . 3.093 2.575 1.959 3.094 0.001 17 0 "[ . 1 . 2]" 1
930 2 16 LYS H 2 17 THR H 3.093 . 3.093 2.736 2.681 2.799 . 0 0 "[ . 1 . 2]" 1
931 2 16 LYS HA 2 16 LYS QE 4.953 . 4.953 4.340 3.506 4.933 . 0 0 "[ . 1 . 2]" 1
932 2 16 LYS HA 2 16 LYS QG . . 3.226 2.426 2.111 3.319 0.093 12 0 "[ . 1 . 2]" 1
933 2 16 LYS QB 2 16 LYS QG 2.474 . 2.474 2.056 2.008 2.087 . 0 0 "[ . 1 . 2]" 1
934 2 16 LYS QB 2 17 THR H 4.267 . 4.267 2.520 2.303 3.218 . 0 0 "[ . 1 . 2]" 1
935 2 16 LYS QB 2 17 THR MG 3.192 . 3.192 4.804 3.300 5.283 2.091 12 19 "[*********-*+ *******]" 1
936 2 16 LYS QD 2 16 LYS QE 2.200 . 2.200 2.041 2.014 2.090 . 0 0 "[ . 1 . 2]" 1
937 2 16 LYS QD 2 16 LYS QG 2.200 . 2.200 2.058 2.010 2.087 . 0 0 "[ . 1 . 2]" 1
938 2 16 LYS QE 2 16 LYS QG 2.240 . 2.240 2.114 1.960 2.252 0.012 12 0 "[ . 1 . 2]" 1
939 2 17 THR H 2 17 THR HA . . 2.955 2.937 2.935 2.939 . 0 0 "[ . 1 . 2]" 1
940 2 17 THR H 2 17 THR HB . . 4.267 2.540 2.456 2.829 . 0 0 "[ . 1 . 2]" 1
941 2 17 THR H 2 17 THR MG 4.309 . 4.309 3.718 2.021 3.825 . 0 0 "[ . 1 . 2]" 1
942 2 17 THR H 2 18 TYR H 2.955 . 2.955 2.100 2.070 2.169 . 0 0 "[ . 1 . 2]" 1
943 2 17 THR HA 2 17 THR MG 2.728 . 2.728 2.514 2.434 3.235 0.507 13 1 "[ . 1 + . 2]" 1
944 2 17 THR HA 2 45 LEU QD . . 4.223 3.930 3.123 4.238 0.015 11 0 "[ . 1 . 2]" 1
945 2 17 THR HB 2 18 TYR H 3.251 . 3.251 2.558 2.410 3.559 0.308 13 0 "[ . 1 . 2]" 1
946 2 17 THR MG 2 18 TYR HA 5.353 . 5.353 3.913 3.577 4.046 . 0 0 "[ . 1 . 2]" 1
947 2 17 THR MG 2 18 TYR QD 3.691 . 3.691 2.901 2.519 3.020 . 0 0 "[ . 1 . 2]" 1
948 2 17 THR MG 2 41 THR HB 5.813 . 5.813 5.759 5.496 6.290 0.477 13 0 "[ . 1 . 2]" 1
949 2 17 THR MG 2 41 THR MG 4.855 . 4.855 5.733 5.388 6.544 1.689 13 20 [**********-*+*******] 1
950 2 18 TYR H 2 18 TYR QB 3.251 . 3.251 2.658 2.536 2.768 . 0 0 "[ . 1 . 2]" 1
951 2 18 TYR HA 2 19 PRO QG 4.740 . 4.740 3.777 3.753 3.812 . 0 0 "[ . 1 . 2]" 1
952 2 18 TYR QB 2 21 PHE QE 5.022 . 5.022 2.955 2.328 3.948 . 0 0 "[ . 1 . 2]" 1
953 2 18 TYR QB 2 39 PRO QB 4.104 . 4.104 3.886 3.600 4.125 0.021 6 0 "[ . 1 . 2]" 1
954 2 18 TYR QD 2 39 PRO QB 4.238 . 4.238 4.115 3.458 4.242 0.004 6 0 "[ . 1 . 2]" 1
955 2 18 TYR QD 2 68 LEU QD 3.951 . 3.951 3.746 3.374 3.970 0.019 4 0 "[ . 1 . 2]" 1
956 2 19 PRO HA 2 19 PRO QG 3.151 . 3.151 3.331 3.293 3.354 0.203 13 0 "[ . 1 . 2]" 1
957 2 19 PRO QG 2 20 TYR H . . 3.071 3.157 3.118 3.201 0.130 11 0 "[ . 1 . 2]" 1
958 2 19 PRO QG 2 20 TYR QD 4.132 . 4.132 2.973 2.865 3.200 . 0 0 "[ . 1 . 2]" 1
959 2 19 PRO QG 2 41 THR HB 3.236 . 3.236 3.328 3.272 3.399 0.163 4 0 "[ . 1 . 2]" 1
960 2 19 PRO QG 2 42 PRO QB 3.228 . 3.228 3.455 3.323 3.561 0.333 9 0 "[ . 1 . 2]" 1
961 2 19 PRO QG 2 65 PHE QD 4.028 . 4.028 3.538 2.001 4.133 0.105 11 0 "[ . 1 . 2]" 1
962 2 20 TYR H 2 39 PRO HA 4.750 . 4.750 4.787 4.737 4.832 0.082 18 0 "[ . 1 . 2]" 1
963 2 20 TYR HA 2 20 TYR QD 3.558 . 3.558 3.504 3.432 3.528 . 0 0 "[ . 1 . 2]" 1
964 2 20 TYR HA 2 21 PHE H 3.331 . 3.331 2.386 2.362 2.434 . 0 0 "[ . 1 . 2]" 1
965 2 20 TYR QB 2 40 LEU QB 4.179 . 4.179 2.436 1.757 4.180 0.043 1 0 "[ . 1 . 2]" 1
966 2 20 TYR QB 2 40 LEU QD 3.449 . 3.449 2.366 1.746 2.864 0.054 2 0 "[ . 1 . 2]" 1
967 2 20 TYR QB 2 40 LEU HG 4.028 . 4.028 4.098 3.891 4.223 0.195 15 0 "[ . 1 . 2]" 1
968 2 20 TYR QB 2 84 VAL QG 5.217 . 5.217 3.403 3.139 3.806 . 0 0 "[ . 1 . 2]" 1
969 2 20 TYR QD 2 40 LEU QD 4.179 . 4.179 3.092 2.144 3.437 . 0 0 "[ . 1 . 2]" 1
970 2 20 TYR QD 2 84 VAL QG . . 3.827 2.110 1.790 3.084 0.010 11 0 "[ . 1 . 2]" 1
971 2 20 TYR QE 2 40 LEU QD 3.784 . 3.784 3.701 2.701 3.874 0.090 3 0 "[ . 1 . 2]" 1
972 2 20 TYR QE 2 41 THR HB 4.284 . 4.284 4.541 4.491 4.612 0.328 15 0 "[ . 1 . 2]" 1
973 2 20 TYR QE 2 84 VAL QG 3.528 . 3.528 2.317 1.902 3.577 0.049 15 0 "[ . 1 . 2]" 1
974 2 21 PHE HA 2 22 VAL H 3.535 . 3.535 2.465 2.393 2.516 . 0 0 "[ . 1 . 2]" 1
975 2 21 PHE HA 2 22 VAL QG 3.634 . 3.634 3.285 3.079 3.571 . 0 0 "[ . 1 . 2]" 1
976 2 21 PHE HA 2 37 VAL HB 4.719 . 4.719 3.274 3.130 4.082 . 0 0 "[ . 1 . 2]" 1
977 2 21 PHE HA 2 39 PRO HA . . 3.662 1.832 1.762 2.289 0.038 15 0 "[ . 1 . 2]" 1
978 2 21 PHE HA 2 67 MET QG 4.953 . 4.953 5.003 4.911 5.068 0.115 7 0 "[ . 1 . 2]" 1
979 2 21 PHE QB 2 22 VAL HB 4.522 . 4.522 4.789 4.745 4.833 0.311 8 0 "[ . 1 . 2]" 1
980 2 21 PHE QB 2 37 VAL HA 4.679 . 4.679 3.876 2.937 3.994 . 0 0 "[ . 1 . 2]" 1
981 2 21 PHE QB 2 37 VAL HB . . 3.829 1.782 1.765 1.798 0.035 2 0 "[ . 1 . 2]" 1
982 2 21 PHE QB 2 37 VAL QG . . 4.305 1.821 1.782 2.388 0.018 11 0 "[ . 1 . 2]" 1
983 2 21 PHE QB 2 39 PRO QG 4.397 . 4.397 4.111 3.929 4.275 . 0 0 "[ . 1 . 2]" 1
984 2 21 PHE QB 2 80 LEU QD 4.709 . 4.709 3.927 3.245 4.359 . 0 0 "[ . 1 . 2]" 1
985 2 21 PHE QD 2 22 VAL QG 5.067 . 5.067 5.124 5.092 5.169 0.102 19 0 "[ . 1 . 2]" 1
986 2 21 PHE QD 2 37 VAL QG . . 4.059 2.626 2.315 2.867 . 0 0 "[ . 1 . 2]" 1
987 2 21 PHE QD 2 39 PRO QB . . 3.646 1.852 1.781 2.321 0.019 11 0 "[ . 1 . 2]" 1
988 2 21 PHE QD 2 79 ILE MD 5.098 . 5.098 5.126 4.892 5.206 0.108 10 0 "[ . 1 . 2]" 1
989 2 21 PHE QD 2 80 LEU QD 3.363 . 3.363 3.430 3.382 3.505 0.142 13 0 "[ . 1 . 2]" 1
990 2 21 PHE QE 2 39 PRO QB . . 3.768 3.087 2.769 3.799 0.031 15 0 "[ . 1 . 2]" 1
991 2 21 PHE QE 2 79 ILE MD 4.173 . 4.173 3.929 3.292 4.222 0.049 6 0 "[ . 1 . 2]" 1
992 2 21 PHE QE 2 81 SER QB 5.114 . 5.114 2.723 2.227 3.470 . 0 0 "[ . 1 . 2]" 1
993 2 22 VAL H 2 22 VAL HB 4.223 . 4.223 2.660 2.586 2.754 . 0 0 "[ . 1 . 2]" 1
994 2 22 VAL H 2 22 VAL QG 3.695 . 3.695 2.784 2.573 2.994 . 0 0 "[ . 1 . 2]" 1
995 2 22 VAL HA 2 23 ASP H . . 3.429 2.107 2.079 2.151 . 0 0 "[ . 1 . 2]" 1
996 2 22 VAL HA 2 23 ASP QB 4.404 . 4.404 4.236 3.980 4.358 . 0 0 "[ . 1 . 2]" 1
997 2 22 VAL HA 2 24 VAL QG 4.394 . 4.394 4.439 4.093 4.522 0.128 7 0 "[ . 1 . 2]" 1
998 2 22 VAL HB 2 24 VAL QG 3.250 . 3.250 2.906 2.599 3.151 . 0 0 "[ . 1 . 2]" 1
999 2 22 VAL HB 2 38 ILE H 4.538 . 4.538 2.844 2.556 3.305 . 0 0 "[ . 1 . 2]" 1
1000 2 22 VAL HB 2 94 ILE QG 2.584 . 2.584 3.072 2.489 4.498 1.914 18 5 "[* **. - . + 2]" 1
1001 2 22 VAL QG 2 23 ASP HA 4.367 . 4.367 4.124 3.973 4.266 . 0 0 "[ . 1 . 2]" 1
1002 2 22 VAL QG 2 23 ASP QB . . 4.354 3.677 3.442 3.981 . 0 0 "[ . 1 . 2]" 1
1003 2 22 VAL QG 2 24 VAL QG . . 3.891 2.621 2.144 2.921 . 0 0 "[ . 1 . 2]" 1
1004 2 22 VAL QG 2 37 VAL HA 4.966 . 4.966 4.286 4.101 4.784 . 0 0 "[ . 1 . 2]" 1
1005 2 22 VAL QG 2 40 LEU QD 3.913 . 3.913 1.797 1.734 1.904 0.066 19 0 "[ . 1 . 2]" 1
1006 2 22 VAL QG 2 40 LEU HG 3.417 . 3.417 2.490 2.255 2.789 . 0 0 "[ . 1 . 2]" 1
1007 2 22 VAL QG 2 67 MET QG 3.928 . 3.928 2.626 1.922 3.344 . 0 0 "[ . 1 . 2]" 1
1008 2 22 VAL QG 2 87 LEU QB . . 4.268 4.368 4.288 4.443 0.175 5 0 "[ . 1 . 2]" 1
1009 2 22 VAL QG 2 87 LEU QD 5.258 . 5.258 2.105 1.912 2.259 . 0 0 "[ . 1 . 2]" 1
1010 2 22 VAL QG 2 94 ILE HA 3.473 . 3.473 3.516 3.471 3.561 0.088 19 0 "[ . 1 . 2]" 1
1011 2 23 ASP HA 2 24 VAL H 3.644 . 3.644 2.174 2.138 2.235 . 0 0 "[ . 1 . 2]" 1
1012 2 23 ASP HA 2 24 VAL QG 4.204 . 4.204 3.602 3.363 3.705 . 0 0 "[ . 1 . 2]" 1
1013 2 23 ASP HA 2 37 VAL HA . . 4.186 3.291 2.905 3.866 . 0 0 "[ . 1 . 2]" 1
1014 2 23 ASP HA 2 37 VAL HB 5.418 . 5.418 4.401 4.118 4.998 . 0 0 "[ . 1 . 2]" 1
1015 2 23 ASP HA 2 37 VAL QG 3.479 . 3.479 2.028 1.800 3.510 0.031 4 0 "[ . 1 . 2]" 1
1016 2 23 ASP HA 2 80 LEU QD 4.939 . 4.939 3.751 3.401 4.121 . 0 0 "[ . 1 . 2]" 1
1017 2 23 ASP QB 2 37 VAL QG 4.323 . 4.323 3.583 3.342 4.088 . 0 0 "[ . 1 . 2]" 1
1018 2 23 ASP QB 2 80 LEU QD . . 3.575 3.277 2.223 3.608 0.033 9 0 "[ . 1 . 2]" 1
1019 2 24 VAL H 2 24 VAL QG . . 3.408 2.353 2.232 2.426 . 0 0 "[ . 1 . 2]" 1
1020 2 24 VAL H 2 36 LEU H 3.615 . 3.615 3.676 3.558 3.885 0.270 3 0 "[ . 1 . 2]" 1
1021 2 24 VAL H 2 37 VAL HA 4.581 . 4.581 3.001 2.724 3.591 . 0 0 "[ . 1 . 2]" 1
1022 2 24 VAL HA 2 24 VAL HB . . 2.830 2.351 2.285 2.476 . 0 0 "[ . 1 . 2]" 1
1023 2 24 VAL HA 2 24 VAL QG . . 3.099 2.399 2.216 2.447 . 0 0 "[ . 1 . 2]" 1
1024 2 24 VAL HA 2 25 GLN HA 4.171 . 4.171 4.295 4.253 4.467 0.296 17 0 "[ . 1 . 2]" 1
1025 2 24 VAL HA 2 98 ILE MD 4.156 . 4.156 4.285 4.204 4.348 0.192 2 0 "[ . 1 . 2]" 1
1026 2 24 VAL HB 2 94 ILE QG 3.823 . 3.823 4.225 3.283 5.868 2.045 20 6 "[- *. * * * +]" 1
1027 2 24 VAL HB 2 98 ILE MD 3.836 . 3.836 3.379 2.046 3.848 0.012 19 0 "[ . 1 . 2]" 1
1028 2 24 VAL QG 2 36 LEU QB . . 3.739 3.196 1.894 3.768 0.029 11 0 "[ . 1 . 2]" 1
1029 2 24 VAL QG 2 36 LEU HG . . 3.777 3.756 3.087 3.900 0.123 13 0 "[ . 1 . 2]" 1
1030 2 24 VAL QG 2 37 VAL HA . . 3.905 2.488 2.091 3.916 0.011 4 0 "[ . 1 . 2]" 1
1031 2 24 VAL QG 2 94 ILE QG 3.331 . 3.331 3.519 2.901 4.148 0.817 1 5 "[+ **. * . - 2]" 1
1032 2 24 VAL QG 2 94 ILE QG 5.107 . 5.107 1.845 1.695 2.054 0.105 15 0 "[ . 1 . 2]" 1
1033 2 24 VAL QG 2 97 ALA MB 4.020 . 4.020 3.345 2.845 4.065 0.045 19 0 "[ . 1 . 2]" 1
1034 2 25 GLN HA 2 26 SER H . . 3.388 3.399 3.199 3.511 0.123 18 0 "[ . 1 . 2]" 1
1035 2 25 GLN QB 2 26 SER HA 4.888 . 4.888 4.232 3.734 4.444 . 0 0 "[ . 1 . 2]" 1
1036 2 25 GLN QB 2 26 SER QB 4.939 . 4.939 3.800 3.329 4.331 . 0 0 "[ . 1 . 2]" 1
1037 2 25 GLN QB 2 36 LEU QB 3.098 . 3.098 1.731 1.675 1.800 0.125 1 0 "[ . 1 . 2]" 1
1038 2 26 SER H 2 36 LEU H 3.429 . 3.429 3.478 3.234 3.578 0.149 5 0 "[ . 1 . 2]" 1
1039 2 26 SER H 2 36 LEU QB 3.488 . 3.488 3.659 3.500 3.814 0.326 16 0 "[ . 1 . 2]" 1
1040 2 26 SER HA 2 27 ASP H 4.953 . 4.953 2.224 2.113 2.319 . 0 0 "[ . 1 . 2]" 1
1041 2 26 SER HA 2 29 LEU QB 3.766 . 3.766 3.917 3.884 3.956 0.190 14 0 "[ . 1 . 2]" 1
1042 2 26 SER QB 2 28 LEU HA 4.490 . 4.490 4.757 4.723 4.795 0.305 14 0 "[ . 1 . 2]" 1
1043 2 26 SER QB 2 28 LEU QB 3.618 . 3.618 3.604 3.380 3.653 0.035 16 0 "[ . 1 . 2]" 1
1044 2 26 SER QB 2 28 LEU QD . . 3.984 3.993 3.884 4.039 0.055 19 0 "[ . 1 . 2]" 1
1045 2 26 SER QB 2 29 LEU QD . . 4.199 3.002 2.612 3.151 . 0 0 "[ . 1 . 2]" 1
1046 2 26 SER QB 2 29 LEU HG 3.297 . 3.297 3.327 3.153 3.355 0.058 8 0 "[ . 1 . 2]" 1
1047 2 27 ASP H 2 27 ASP QB . . 3.625 2.342 2.145 2.671 . 0 0 "[ . 1 . 2]" 1
1048 2 27 ASP H 2 28 LEU H 3.988 . 3.988 2.402 2.127 2.620 . 0 0 "[ . 1 . 2]" 1
1049 2 27 ASP H 2 28 LEU QD 4.125 . 4.125 3.295 2.870 4.066 . 0 0 "[ . 1 . 2]" 1
1050 2 27 ASP HA 2 30 ASP QB . . 2.623 2.682 2.658 2.699 0.076 6 0 "[ . 1 . 2]" 1
1051 2 27 ASP QB 2 28 LEU H 3.520 . 3.520 2.878 2.649 3.520 0.000 7 0 "[ . 1 . 2]" 1
1052 2 28 LEU HA 2 28 LEU QB . . 2.584 2.343 2.252 2.393 . 0 0 "[ . 1 . 2]" 1
1053 2 28 LEU HA 2 28 LEU QD . . 2.647 2.378 1.911 2.682 0.035 19 0 "[ . 1 . 2]" 1
1054 2 28 LEU QB 2 28 LEU QD . . 2.556 1.932 1.842 2.002 . 0 0 "[ . 1 . 2]" 1
1055 2 28 LEU QB 2 29 LEU HG 2.742 . 2.742 2.684 2.495 2.772 0.030 2 0 "[ . 1 . 2]" 1
1056 2 29 LEU H 2 29 LEU QD 3.993 . 3.993 3.139 2.753 3.566 . 0 0 "[ . 1 . 2]" 1
1057 2 29 LEU H 2 29 LEU HG 3.900 . 3.900 2.460 2.343 3.116 . 0 0 "[ . 1 . 2]" 1
1058 2 29 LEU H 2 30 ASP H 4.655 . 4.655 2.941 2.277 3.197 . 0 0 "[ . 1 . 2]" 1
1059 2 29 LEU HA 2 29 LEU QD . . 2.813 2.289 2.058 2.748 . 0 0 "[ . 1 . 2]" 1
1060 2 29 LEU HA 2 29 LEU HG . . 2.894 2.907 2.794 2.929 0.035 8 0 "[ . 1 . 2]" 1
1061 2 29 LEU QB 2 29 LEU QD 2.845 . 2.845 1.877 1.792 1.931 0.008 18 0 "[ . 1 . 2]" 1
1062 2 29 LEU QB 2 30 ASP H 3.733 . 3.733 3.775 3.690 3.844 0.111 10 0 "[ . 1 . 2]" 1
1063 2 29 LEU QB 2 32 LEU QD 3.620 . 3.620 3.349 2.880 3.637 0.017 5 0 "[ . 1 . 2]" 1
1064 2 30 ASP H 2 31 ASN H 4.655 . 4.655 2.954 2.755 3.170 . 0 0 "[ . 1 . 2]" 1
1065 2 30 ASP HA 2 30 ASP QB 2.632 . 2.632 2.279 2.171 2.538 . 0 0 "[ . 1 . 2]" 1
1066 2 31 ASN H 2 32 LEU H 2.697 . 2.697 2.129 1.920 2.448 . 0 0 "[ . 1 . 2]" 1
1067 2 31 ASN HA 2 34 THR H 3.488 . 3.488 3.694 3.625 3.829 0.341 9 0 "[ . 1 . 2]" 1
1068 2 32 LEU H 2 32 LEU HA . . 3.093 2.776 2.717 2.814 . 0 0 "[ . 1 . 2]" 1
1069 2 32 LEU H 2 32 LEU QB 3.093 . 3.093 2.085 2.053 2.170 . 0 0 "[ . 1 . 2]" 1
1070 2 32 LEU H 2 32 LEU QD 3.994 . 3.994 3.244 2.502 3.624 . 0 0 "[ . 1 . 2]" 1
1071 2 32 LEU H 2 34 THR H 3.598 . 3.598 3.687 3.497 3.771 0.173 10 0 "[ . 1 . 2]" 1
1072 2 32 LEU HA 2 32 LEU QB 2.783 . 2.783 2.537 2.524 2.541 . 0 0 "[ . 1 . 2]" 1
1073 2 32 LEU HA 2 32 LEU QD 2.726 . 2.726 2.381 1.871 2.734 0.008 7 0 "[ . 1 . 2]" 1
1074 2 32 LEU QB 2 33 ASN HA 3.688 . 3.688 3.946 3.873 4.026 0.338 1 0 "[ . 1 . 2]" 1
1075 2 32 LEU QB 2 33 ASN QB 3.899 . 3.899 3.067 2.763 3.599 . 0 0 "[ . 1 . 2]" 1
1076 2 32 LEU QB 2 34 THR H 3.625 . 3.625 3.509 3.233 3.655 0.030 17 0 "[ . 1 . 2]" 1
1077 2 33 ASN HA 2 77 VAL QG 2.946 . 2.946 2.668 1.955 2.982 0.036 19 0 "[ . 1 . 2]" 1
1078 2 34 THR HA 2 34 THR MG . . 2.931 2.665 2.179 3.023 0.092 13 0 "[ . 1 . 2]" 1
1079 2 34 THR HA 2 35 ARG H 3.413 . 3.413 2.535 2.388 2.641 . 0 0 "[ . 1 . 2]" 1
1080 2 34 THR HA 2 76 PRO HA 3.380 . 3.380 2.802 2.129 3.086 . 0 0 "[ . 1 . 2]" 1
1081 2 34 THR HA 2 76 PRO QB . . 4.623 4.555 3.820 4.683 0.060 6 0 "[ . 1 . 2]" 1
1082 2 34 THR HA 2 77 VAL H . . 4.015 2.261 1.797 3.006 0.003 7 0 "[ . 1 . 2]" 1
1083 2 34 THR HA 2 77 VAL HB 4.166 . 4.166 3.275 2.557 4.029 . 0 0 "[ . 1 . 2]" 1
1084 2 34 THR HB 2 35 ARG H 3.794 . 3.794 2.414 1.943 2.944 . 0 0 "[ . 1 . 2]" 1
1085 2 34 THR HB 2 74 SER HA 4.863 . 4.863 4.919 4.893 4.959 0.096 1 0 "[ . 1 . 2]" 1
1086 2 34 THR HB 2 76 PRO HA 4.370 . 4.370 2.546 1.916 3.348 . 0 0 "[ . 1 . 2]" 1
1087 2 34 THR HB 2 77 VAL H 3.616 . 3.616 3.657 3.630 3.685 0.069 7 0 "[ . 1 . 2]" 1
1088 2 34 THR MG 2 76 PRO HA 3.529 . 3.529 2.067 1.800 3.008 . 20 0 "[ . 1 . 2]" 1
1089 2 34 THR MG 2 76 PRO QB 3.861 . 3.861 2.970 2.152 3.596 . 0 0 "[ . 1 . 2]" 1
1090 2 34 THR MG 2 76 PRO QG . . 3.350 3.170 2.627 3.414 0.064 16 0 "[ . 1 . 2]" 1
1091 2 35 ARG HA 2 36 LEU H 4.517 . 4.517 2.307 2.219 2.453 . 0 0 "[ . 1 . 2]" 1
1092 2 35 ARG HA 2 74 SER QB 4.032 . 4.032 4.083 4.034 4.137 0.105 4 0 "[ . 1 . 2]" 1
1093 2 35 ARG QB 2 37 VAL QG . . 4.397 3.246 2.780 4.256 . 0 0 "[ . 1 . 2]" 1
1094 2 35 ARG QB 2 75 VAL QG . . 4.500 3.885 2.662 4.562 0.062 3 0 "[ . 1 . 2]" 1
1095 2 35 ARG QB 2 80 LEU QD 5.196 . 5.196 2.852 1.915 4.033 . 0 0 "[ . 1 . 2]" 1
1096 2 36 LEU H 2 36 LEU QD 4.592 . 4.592 3.586 2.747 3.757 . 0 0 "[ . 1 . 2]" 1
1097 2 36 LEU HA 2 36 LEU QD . . 3.031 2.058 1.831 2.555 . 0 0 "[ . 1 . 2]" 1
1098 2 36 LEU HA 2 36 LEU HG 4.215 . 4.215 3.156 2.706 3.767 . 0 0 "[ . 1 . 2]" 1
1099 2 36 LEU HA 2 37 VAL H 3.471 . 3.471 2.231 2.149 2.432 . 0 0 "[ . 1 . 2]" 1
1100 2 36 LEU HA 2 74 SER HA 3.576 . 3.576 2.270 1.808 2.921 . 0 0 "[ . 1 . 2]" 1
1101 2 36 LEU HA 2 75 VAL QG 5.830 . 5.830 4.488 3.864 5.454 . 0 0 "[ . 1 . 2]" 1
1102 2 36 LEU QD 2 37 VAL H 3.526 . 3.526 2.506 1.811 3.298 . 0 0 "[ . 1 . 2]" 1
1103 2 36 LEU QD 2 74 SER HA 4.014 . 4.014 3.034 2.300 4.018 0.004 14 0 "[ . 1 . 2]" 1
1104 2 36 LEU HG 2 72 MET QG 4.557 . 4.557 2.621 1.832 3.777 . 0 0 "[ . 1 . 2]" 1
1105 2 37 VAL H 2 37 VAL QG . . 4.023 2.007 1.807 2.260 . 0 0 "[ . 1 . 2]" 1
1106 2 37 VAL HA 2 38 ILE H 3.872 . 3.872 2.241 2.122 2.285 . 0 0 "[ . 1 . 2]" 1
1107 2 37 VAL HB 2 38 ILE H 4.671 . 4.671 2.437 2.247 3.024 . 0 0 "[ . 1 . 2]" 1
1108 2 37 VAL HB 2 39 PRO HA 3.703 . 3.703 3.881 3.847 3.925 0.222 2 0 "[ . 1 . 2]" 1
1109 2 37 VAL QG 2 39 PRO QB 3.535 . 3.535 3.643 3.597 3.687 0.152 1 0 "[ . 1 . 2]" 1
1110 2 37 VAL QG 2 72 MET QG 5.273 . 5.273 3.861 3.414 4.425 . 0 0 "[ . 1 . 2]" 1
1111 2 37 VAL QG 2 73 THR H 4.414 . 4.414 2.801 2.430 3.295 . 0 0 "[ . 1 . 2]" 1
1112 2 37 VAL QG 2 73 THR MG 3.508 . 3.508 3.171 1.804 4.849 1.341 20 5 "[ . ** -*. +]" 1
1113 2 37 VAL QG 2 74 SER HA 4.329 . 4.329 2.886 2.370 3.275 . 0 0 "[ . 1 . 2]" 1
1114 2 37 VAL QG 2 75 VAL HB 3.127 . 3.127 3.273 3.149 3.459 0.332 7 0 "[ . 1 . 2]" 1
1115 2 37 VAL QG 2 75 VAL QG 4.197 . 4.197 1.694 1.470 2.916 0.330 11 0 "[ . 1 . 2]" 1
1116 2 37 VAL QG 2 80 LEU QD 3.978 . 3.978 2.729 2.049 3.212 . 0 0 "[ . 1 . 2]" 1
1117 2 39 PRO HA 2 40 LEU H 4.123 . 4.123 2.223 2.147 2.327 . 0 0 "[ . 1 . 2]" 1
1118 2 39 PRO HA 2 68 LEU QB 6.000 . 6.000 4.403 4.233 4.494 . 0 0 "[ . 1 . 2]" 1
1119 2 39 PRO QB 2 40 LEU H 4.364 . 4.364 3.687 3.591 3.791 . 0 0 "[ . 1 . 2]" 1
1120 2 39 PRO QB 2 40 LEU HA 4.538 . 4.538 4.622 4.529 4.667 0.129 14 0 "[ . 1 . 2]" 1
1121 2 39 PRO QB 2 68 LEU QD . . 3.898 3.269 2.923 3.878 . 0 0 "[ . 1 . 2]" 1
1122 2 39 PRO QG 2 68 LEU QB 2.200 . 2.200 2.043 1.861 2.220 0.020 18 0 "[ . 1 . 2]" 1
1123 2 39 PRO QG 2 71 GLN QB 2.926 . 2.926 2.772 2.394 2.965 0.039 6 0 "[ . 1 . 2]" 1
1124 2 39 PRO QG 2 73 THR MG . . 2.291 2.709 2.279 4.573 2.282 20 5 "[ . *- **. +]" 1
1125 2 40 LEU H 2 40 LEU QB 2.848 . 2.848 2.369 2.020 2.900 0.052 6 0 "[ . 1 . 2]" 1
1126 2 40 LEU H 2 40 LEU HG 4.412 . 4.412 2.663 1.732 3.303 0.068 15 0 "[ . 1 . 2]" 1
1127 2 40 LEU HA 2 40 LEU QD . . 3.313 2.570 1.963 3.291 . 0 0 "[ . 1 . 2]" 1
1128 2 40 LEU HA 2 40 LEU HG 3.681 . 3.681 2.684 2.391 3.133 . 0 0 "[ . 1 . 2]" 1
1129 2 40 LEU HA 2 41 THR H . . 3.388 2.328 2.289 2.392 . 0 0 "[ . 1 . 2]" 1
1130 2 40 LEU HA 2 41 THR HA 5.396 . 5.396 4.456 4.436 4.478 . 0 0 "[ . 1 . 2]" 1
1131 2 40 LEU HA 2 65 PHE QB . . 4.679 4.247 4.082 4.421 . 0 0 "[ . 1 . 2]" 1
1132 2 40 LEU HA 2 66 ILE H 3.498 . 3.498 3.680 3.624 3.790 0.292 15 0 "[ . 1 . 2]" 1
1133 2 40 LEU HA 2 67 MET HA 3.981 . 3.981 1.964 1.776 2.389 0.024 2 0 "[ . 1 . 2]" 1
1134 2 40 LEU HA 2 68 LEU QB . . 4.212 3.731 3.518 3.910 . 0 0 "[ . 1 . 2]" 1
1135 2 40 LEU QB 2 40 LEU HG 2.361 . 2.361 2.445 2.387 2.518 0.157 12 0 "[ . 1 . 2]" 1
1136 2 40 LEU QB 2 41 THR HA 5.131 . 5.131 3.758 3.711 3.830 . 0 0 "[ . 1 . 2]" 1
1137 2 40 LEU QB 2 65 PHE QB . . 3.693 2.841 2.656 3.094 . 0 0 "[ . 1 . 2]" 1
1138 2 40 LEU QB 2 65 PHE QD 4.980 . 4.980 4.280 3.632 4.547 . 0 0 "[ . 1 . 2]" 1
1139 2 40 LEU QD 2 65 PHE QB . . 3.705 2.630 1.785 3.677 0.015 1 0 "[ . 1 . 2]" 1
1140 2 40 LEU QD 2 67 MET HA . . 3.743 2.532 1.941 3.281 . 0 0 "[ . 1 . 2]" 1
1141 2 40 LEU HG 2 67 MET HA 3.977 . 3.977 2.606 2.152 3.336 . 0 0 "[ . 1 . 2]" 1
1142 2 40 LEU HG 2 68 LEU H 4.061 . 4.061 4.142 4.082 4.232 0.171 15 0 "[ . 1 . 2]" 1
1143 2 41 THR H 2 41 THR MG . . 3.916 2.293 2.165 2.526 . 0 0 "[ . 1 . 2]" 1
1144 2 41 THR H 2 66 ILE QG 4.370 . 4.370 3.863 3.546 4.020 . 0 0 "[ . 1 . 2]" 1
1145 2 41 THR HB 2 68 LEU QB 4.308 . 4.308 4.431 4.358 4.483 0.175 4 0 "[ . 1 . 2]" 1
1146 2 41 THR HB 2 68 LEU QD . . 3.545 3.589 3.563 3.632 0.087 11 0 "[ . 1 . 2]" 1
1147 2 41 THR MG 2 46 LEU QB 4.144 . 4.144 3.827 2.906 4.634 0.490 10 0 "[ . 1 . 2]" 1
1148 2 41 THR MG 2 66 ILE HB 3.705 . 3.705 3.696 3.352 3.833 0.128 15 0 "[ . 1 . 2]" 1
1149 2 42 PRO HA 2 43 ILE H 3.570 . 3.570 2.085 1.985 2.201 . 0 0 "[ . 1 . 2]" 1
1150 2 42 PRO HA 2 43 ILE QG 4.032 . 4.032 4.501 3.326 5.751 1.719 17 6 "[ . 1** -.*+ *]" 1
1151 2 42 PRO HA 2 65 PHE HA 3.859 . 3.859 2.553 2.298 2.752 . 0 0 "[ . 1 . 2]" 1
1152 2 42 PRO HA 2 65 PHE QB 4.546 . 4.546 3.442 3.074 3.842 . 0 0 "[ . 1 . 2]" 1
1153 2 42 PRO HA 2 65 PHE QD 3.620 . 3.620 1.971 1.734 2.890 0.066 10 0 "[ . 1 . 2]" 1
1154 2 42 PRO HA 2 66 ILE QG 4.320 . 4.320 4.231 3.937 4.317 . 0 0 "[ . 1 . 2]" 1
1155 2 42 PRO QB 2 44 GLU H 3.513 . 3.513 2.891 2.672 3.134 . 0 0 "[ . 1 . 2]" 1
1156 2 42 PRO QB 2 44 GLU QB 2.774 . 2.774 2.860 2.640 2.997 0.223 2 0 "[ . 1 . 2]" 1
1157 2 42 PRO QB 2 45 LEU HG 3.275 . 3.275 2.566 1.953 3.451 0.176 13 0 "[ . 1 . 2]" 1
1158 2 42 PRO QB 2 65 PHE HA 4.475 . 4.475 4.396 4.144 4.556 0.081 20 0 "[ . 1 . 2]" 1
1159 2 42 PRO QB 2 65 PHE QD 4.234 . 4.234 2.930 2.511 3.441 . 0 0 "[ . 1 . 2]" 1
1160 2 42 PRO QG 2 45 LEU HG . . 2.900 2.082 1.770 2.447 0.030 13 0 "[ . 1 . 2]" 1
1161 2 43 ILE H 2 43 ILE QG 4.655 . 4.655 2.843 1.708 3.942 0.092 15 0 "[ . 1 . 2]" 1
1162 2 43 ILE HA 2 43 ILE QG 3.106 . 3.106 2.398 2.109 3.265 0.159 15 0 "[ . 1 . 2]" 1
1163 2 43 ILE HA 2 65 PHE HA 4.660 . 4.660 4.312 4.051 4.583 . 0 0 "[ . 1 . 2]" 1
1164 2 43 ILE HA 2 66 ILE QG 4.266 . 4.266 2.368 1.972 2.799 . 0 0 "[ . 1 . 2]" 1
1165 2 43 ILE HA 2 66 ILE QG 3.972 . 3.972 2.346 1.961 2.757 . 0 0 "[ . 1 . 2]" 1
1166 2 43 ILE HB 2 43 ILE MD 2.441 . 2.441 2.383 2.026 2.566 0.125 10 0 "[ . 1 . 2]" 1
1167 2 43 ILE HB 2 43 ILE QG 2.222 . 2.222 2.335 2.243 2.495 0.273 11 0 "[ . 1 . 2]" 1
1168 2 43 ILE HB 2 57 THR MG 3.620 . 3.620 4.338 3.648 5.308 1.688 6 16 "[** **+******* ** -*2]" 1
1169 2 43 ILE HB 2 65 PHE HA 4.679 . 4.679 3.649 2.764 4.740 0.061 15 0 "[ . 1 . 2]" 1
1170 2 43 ILE HB 2 65 PHE QD 5.418 . 5.418 5.344 5.001 5.535 0.117 16 0 "[ . 1 . 2]" 1
1171 2 43 ILE MD 2 57 THR HB 4.364 . 4.364 3.202 1.983 4.079 . 0 0 "[ . 1 . 2]" 1
1172 2 43 ILE MD 2 64 ASP HA 5.022 . 5.022 4.529 3.425 5.079 0.057 14 0 "[ . 1 . 2]" 1
1173 2 43 ILE MD 2 64 ASP QB 3.300 . 3.300 2.608 1.794 3.169 0.006 1 0 "[ . 1 . 2]" 1
1174 2 43 ILE MD 2 66 ILE QG 2.808 . 2.808 3.284 2.987 3.652 0.844 15 9 "[* *. 1 * +**-**]" 1
1175 2 43 ILE QG 2 43 ILE MG 3.105 . 3.105 2.358 2.120 2.511 . 0 0 "[ . 1 . 2]" 1
1176 2 43 ILE QG 2 44 GLU H 6.000 . 6.000 2.819 2.186 3.250 . 0 0 "[ . 1 . 2]" 1
1177 2 43 ILE QG 2 44 GLU HA 3.897 . 3.897 3.172 2.888 3.900 0.003 15 0 "[ . 1 . 2]" 1
1178 2 43 ILE QG 2 44 GLU QB 3.645 . 3.645 3.742 3.660 3.831 0.186 2 0 "[ . 1 . 2]" 1
1179 2 43 ILE QG 2 64 ASP QB . . 3.390 2.853 1.825 3.458 0.068 1 0 "[ . 1 . 2]" 1
1180 2 43 ILE QG 2 65 PHE HA 4.394 . 4.394 2.421 1.916 2.881 . 0 0 "[ . 1 . 2]" 1
1181 2 43 ILE QG 2 66 ILE H 4.065 . 4.065 3.720 3.307 4.074 0.009 17 0 "[ . 1 . 2]" 1
1182 2 43 ILE QG 2 66 ILE QG 3.155 . 3.155 1.971 1.637 2.454 0.163 15 0 "[ . 1 . 2]" 1
1183 2 43 ILE QG 2 44 GLU H 3.687 . 3.687 3.950 2.628 4.371 0.684 18 13 "[********** * . +-2]" 1
1184 2 43 ILE QG 2 48 LYS QD 2.200 . 2.200 3.858 1.717 5.040 2.840 6 14 "[*****+**** * . -**2]" 1
1185 2 43 ILE QG 2 48 LYS QG 2.206 . 2.206 3.981 1.933 5.233 3.027 19 13 "[********** - . *+2]" 1
1186 2 43 ILE QG 2 57 THR MG 3.841 . 3.841 3.646 2.891 5.293 1.452 11 5 "[ .- 1+* *.* 2]" 1
1187 2 43 ILE QG 2 64 ASP QB 3.984 . 3.984 3.604 3.085 4.424 0.440 17 0 "[ . 1 . 2]" 1
1188 2 43 ILE QG 2 65 PHE HA . . 4.088 3.302 1.936 4.996 0.908 11 6 "[ . 1+* *.*- *]" 1
1189 2 43 ILE QG 2 65 PHE QB 4.345 . 4.345 4.881 4.021 6.443 2.098 11 6 "[ . 1+* *.*- *]" 1
1190 2 43 ILE QG 2 65 PHE QD 4.913 . 4.913 5.132 2.643 6.452 1.539 17 6 "[ . 1** *.*+ -]" 1
1191 2 43 ILE QG 2 66 ILE H 5.083 . 5.083 4.499 3.494 6.438 1.355 11 5 "[ . 1+* -.* *]" 1
1192 2 43 ILE QG 2 66 ILE QG 2.334 . 2.334 2.368 1.721 3.685 1.351 20 6 "[ . 1** *-* +]" 1
1193 2 44 GLU H 2 44 GLU QB 3.687 . 3.687 2.114 1.970 2.218 . 0 0 "[ . 1 . 2]" 1
1194 2 44 GLU H 2 45 LEU H . . 3.687 2.767 2.550 2.886 . 0 0 "[ . 1 . 2]" 1
1195 2 44 GLU HA 2 44 GLU QB 2.596 . 2.596 2.460 2.358 2.534 . 0 0 "[ . 1 . 2]" 1
1196 2 44 GLU HA 2 44 GLU QG 2.606 . 2.606 2.338 2.110 2.587 . 0 0 "[ . 1 . 2]" 1
1197 2 44 GLU HA 2 48 LYS H 3.628 . 3.628 3.590 3.035 3.684 0.056 11 0 "[ . 1 . 2]" 1
1198 2 44 GLU QB 2 44 GLU QG 2.265 . 2.265 2.048 1.978 2.088 . 0 0 "[ . 1 . 2]" 1
1199 2 44 GLU QG 2 48 LYS QD 2.876 . 2.876 2.799 2.269 2.918 0.042 10 0 "[ . 1 . 2]" 1
1200 2 45 LEU HA 2 45 LEU QD 2.518 . 2.518 2.174 1.893 2.554 0.036 2 0 "[ . 1 . 2]" 1
1201 2 45 LEU QB 2 45 LEU HG . . 2.635 2.313 2.140 2.393 . 0 0 "[ . 1 . 2]" 1
1202 2 46 LEU HA 2 46 LEU QD 2.837 . 2.837 2.308 1.979 2.732 . 0 0 "[ . 1 . 2]" 1
1203 2 46 LEU QB 2 46 LEU QD 2.808 . 2.808 1.886 1.805 2.009 . 0 0 "[ . 1 . 2]" 1
1204 2 46 LEU QD 2 68 LEU HA 5.957 . 5.957 4.941 3.917 5.959 0.002 10 0 "[ . 1 . 2]" 1
1205 2 47 ASP H 2 48 LYS H 3.624 . 3.624 3.650 3.626 3.688 0.064 8 0 "[ . 1 . 2]" 1
1206 2 47 ASP HA 2 47 ASP QB 2.200 . 2.200 2.245 2.238 2.258 0.058 2 0 "[ . 1 . 2]" 1
1207 2 47 ASP HA 2 48 LYS HA 4.223 . 4.223 4.285 4.273 4.298 0.075 14 0 "[ . 1 . 2]" 1
1208 2 47 ASP HA 2 48 LYS QB 3.560 . 3.560 3.772 3.748 3.787 0.227 11 0 "[ . 1 . 2]" 1
1209 2 47 ASP HA 2 49 LYS QG 3.588 . 3.588 3.615 3.560 3.655 0.067 15 0 "[ . 1 . 2]" 1
1210 2 47 ASP QB 2 48 LYS HA 4.498 . 4.498 4.533 4.421 4.608 0.110 16 0 "[ . 1 . 2]" 1
1211 2 47 ASP QB 2 49 LYS QB 4.411 . 4.411 4.251 4.063 4.447 0.036 17 0 "[ . 1 . 2]" 1
1212 2 47 ASP QB 2 49 LYS QG 3.509 . 3.509 2.350 2.064 2.694 . 0 0 "[ . 1 . 2]" 1
1213 2 47 ASP QB 2 50 ALA MB 3.801 . 3.801 2.701 1.943 3.809 0.008 7 0 "[ . 1 . 2]" 1
1214 2 48 LYS H 2 48 LYS QB 3.683 . 3.683 1.973 1.925 2.053 . 0 0 "[ . 1 . 2]" 1
1215 2 48 LYS HA 2 48 LYS QD 2.757 . 2.757 2.689 2.145 2.820 0.063 15 0 "[ . 1 . 2]" 1
1216 2 48 LYS HA 2 48 LYS QG 2.692 . 2.692 2.180 2.106 2.412 . 0 0 "[ . 1 . 2]" 1
1217 2 48 LYS QB 2 48 LYS QE 2.200 . 2.200 2.061 1.826 2.216 0.016 1 0 "[ . 1 . 2]" 1
1218 2 48 LYS QD 2 48 LYS QE 2.200 . 2.200 2.026 1.968 2.081 . 0 0 "[ . 1 . 2]" 1
1219 2 49 LYS HA 2 49 LYS QB 2.337 . 2.337 2.173 2.157 2.180 . 0 0 "[ . 1 . 2]" 1
1220 2 49 LYS QB 2 49 LYS QG 2.200 . 2.200 2.063 2.010 2.091 . 0 0 "[ . 1 . 2]" 1
1221 2 54 LEU HA 2 54 LEU QD . . 3.393 2.504 1.967 3.050 . 0 0 "[ . 1 . 2]" 1
1222 2 54 LEU HA 2 69 THR MG 4.184 . 4.184 4.859 3.030 5.643 1.459 4 15 "[- *+*** ** **** ***]" 1
1223 2 54 LEU HA 2 100 PHE QD 3.584 . 3.584 3.150 2.000 3.595 0.011 11 0 "[ . 1 . 2]" 1
1224 2 54 LEU QB 2 100 PHE QD 4.546 . 4.546 4.465 3.840 4.572 0.026 9 0 "[ . 1 . 2]" 1
1225 2 54 LEU QD 2 69 THR HB 3.712 . 3.712 2.708 1.816 3.767 0.055 2 0 "[ . 1 . 2]" 1
1226 2 54 LEU QD 2 100 PHE QB 5.617 . 5.617 3.949 1.891 5.329 . 0 0 "[ . 1 . 2]" 1
1227 2 54 LEU QD 2 100 PHE QD 4.004 . 4.004 2.958 1.881 4.020 0.016 7 0 "[ . 1 . 2]" 1
1228 2 54 LEU QD 2 101 LEU HA . . 4.064 2.499 1.816 3.773 . 0 0 "[ . 1 . 2]" 1
1229 2 54 LEU QD 2 101 LEU QB 5.010 . 5.010 2.088 1.787 3.509 0.013 19 0 "[ . 1 . 2]" 1
1230 2 54 LEU QD 2 101 LEU QD 3.660 . 3.660 2.456 1.791 3.576 0.009 18 0 "[ . 1 . 2]" 1
1231 2 54 LEU HG 2 69 THR HB 4.528 . 4.528 3.916 2.512 4.563 0.035 12 0 "[ . 1 . 2]" 1
1232 2 54 LEU HG 2 100 PHE QD 4.314 . 4.314 3.491 2.683 4.351 0.037 12 0 "[ . 1 . 2]" 1
1233 2 56 PRO HA 2 57 THR H 3.916 . 3.916 2.203 2.148 2.380 . 0 0 "[ . 1 . 2]" 1
1234 2 56 PRO HA 2 57 THR HB 6.000 . 6.000 4.512 4.245 5.655 . 0 0 "[ . 1 . 2]" 1
1235 2 56 PRO HA 2 66 ILE QG 4.357 . 4.357 3.556 2.882 4.299 . 0 0 "[ . 1 . 2]" 1
1236 2 56 PRO QB 2 58 ILE QG . . 4.848 4.282 3.745 4.848 . 0 0 "[ . 1 . 2]" 1
1237 2 56 PRO QD 2 67 MET QG . . 3.206 3.272 3.163 3.341 0.135 9 0 "[ . 1 . 2]" 1
1238 2 56 PRO QD 2 69 THR MG 3.026 . 3.026 3.337 2.346 4.506 1.480 7 7 "[ **.*+ *1 . -* 2]" 1
1239 2 56 PRO QG 2 67 MET H 4.161 . 4.161 3.873 3.369 4.180 0.019 15 0 "[ . 1 . 2]" 1
1240 2 56 PRO QG 2 93 GLU QG 3.159 . 3.159 2.243 1.793 3.166 0.007 1 0 "[ . 1 . 2]" 1
1241 2 57 THR H 2 57 THR HB 4.074 . 4.074 2.446 2.128 3.614 . 0 0 "[ . 1 . 2]" 1
1242 2 57 THR H 2 66 ILE QG 3.724 . 3.724 5.772 5.354 6.434 2.710 9 20 [********+***-*******] 1
1243 2 57 THR HA 2 57 THR MG 3.009 . 3.009 2.793 2.661 3.105 0.096 11 0 "[ . 1 . 2]" 1
1244 2 57 THR HA 2 58 ILE H . . 3.754 2.342 2.313 2.386 . 0 0 "[ . 1 . 2]" 1
1245 2 57 THR HA 2 58 ILE HA 4.218 . 4.218 4.323 4.272 4.366 0.148 14 0 "[ . 1 . 2]" 1
1246 2 57 THR HA 2 66 ILE MD 5.203 . 5.203 4.855 4.556 5.157 . 0 0 "[ . 1 . 2]" 1
1247 2 57 THR HB 2 58 ILE H 3.664 . 3.664 3.593 2.449 3.845 0.181 12 0 "[ . 1 . 2]" 1
1248 2 57 THR HB 2 58 ILE HA 6.000 . 6.000 4.887 4.647 5.379 . 0 0 "[ . 1 . 2]" 1
1249 2 57 THR HB 2 58 ILE QG 6.000 . 6.000 5.592 4.615 6.141 0.141 1 0 "[ . 1 . 2]" 1
1250 2 57 THR HB 2 58 ILE QG 6.000 . 6.000 4.989 4.456 5.556 . 0 0 "[ . 1 . 2]" 1
1251 2 57 THR HB 2 66 ILE HA 4.660 . 4.660 4.613 3.979 4.799 0.139 1 0 "[ . 1 . 2]" 1
1252 2 57 THR HB 2 66 ILE QG 6.000 . 6.000 5.273 4.366 5.870 . 0 0 "[ . 1 . 2]" 1
1253 2 57 THR HB 2 66 ILE QG 6.000 . 6.000 3.149 2.649 3.741 . 0 0 "[ . 1 . 2]" 1
1254 2 57 THR HB 2 90 PHE QE 6.000 . 6.000 5.929 5.288 6.146 0.146 8 0 "[ . 1 . 2]" 1
1255 2 57 THR MG 2 58 ILE H 3.884 . 3.884 2.273 1.842 4.012 0.128 17 0 "[ . 1 . 2]" 1
1256 2 57 THR MG 2 58 ILE HA 2.630 . 2.630 3.250 2.829 5.227 2.597 3 3 "[ + . 1 . - *]" 1
1257 2 57 THR MG 2 59 HIS QB 5.957 . 5.957 4.861 3.973 6.901 0.944 3 3 "[ + . 1 . - *]" 1
1258 2 57 THR MG 2 64 ASP QB 3.695 . 3.695 2.695 1.876 4.052 0.357 17 0 "[ . 1 . 2]" 1
1259 2 58 ILE H 2 58 ILE HB 3.723 . 3.723 3.218 2.554 3.892 0.169 1 0 "[ . 1 . 2]" 1
1260 2 58 ILE H 2 58 ILE QG . . 3.519 2.922 2.445 3.896 0.377 16 0 "[ . 1 . 2]" 1
1261 2 58 ILE H 2 58 ILE QG . . 4.130 2.733 2.376 3.280 . 0 0 "[ . 1 . 2]" 1
1262 2 58 ILE HA 2 58 ILE MD 3.145 . 3.145 3.253 2.785 3.395 0.250 19 0 "[ . 1 . 2]" 1
1263 2 58 ILE HA 2 58 ILE QG 3.481 . 3.481 2.797 1.950 3.468 . 0 0 "[ . 1 . 2]" 1
1264 2 58 ILE HA 2 58 ILE QG 3.086 . 3.086 2.155 1.919 2.471 . 0 0 "[ . 1 . 2]" 1
1265 2 58 ILE HA 2 59 HIS H 3.093 . 3.093 2.371 2.154 2.556 . 0 0 "[ . 1 . 2]" 1
1266 2 58 ILE HA 2 59 HIS QB 5.052 . 5.052 4.545 4.439 4.649 . 0 0 "[ . 1 . 2]" 1
1267 2 58 ILE HA 2 87 LEU QD 5.022 . 5.022 4.518 4.308 4.732 . 0 0 "[ . 1 . 2]" 1
1268 2 58 ILE HA 2 90 PHE QD 4.719 . 4.719 3.861 3.294 4.104 . 0 0 "[ . 1 . 2]" 1
1269 2 58 ILE HA 2 90 PHE HZ 3.977 . 3.977 2.373 1.794 3.897 0.006 11 0 "[ . 1 . 2]" 1
1270 2 58 ILE HB 2 58 ILE MD 3.599 . 3.599 2.814 2.105 3.173 . 0 0 "[ . 1 . 2]" 1
1271 2 58 ILE HB 2 60 ILE QG 4.932 . 4.932 3.642 2.174 4.865 . 0 0 "[ . 1 . 2]" 1
1272 2 58 ILE HB 2 60 ILE QG 4.727 . 4.727 2.757 2.145 3.597 . 0 0 "[ . 1 . 2]" 1
1273 2 58 ILE HB 2 64 ASP HA 4.783 . 4.783 4.787 4.237 4.910 0.127 1 0 "[ . 1 . 2]" 1
1274 2 58 ILE HB 2 87 LEU QD 2.933 . 2.933 3.068 2.793 3.229 0.296 7 0 "[ . 1 . 2]" 1
1275 2 58 ILE HB 2 90 PHE HZ 4.689 . 4.689 4.328 3.353 4.884 0.195 15 0 "[ . 1 . 2]" 1
1276 2 58 ILE MD 2 60 ILE QG 3.661 . 3.661 3.351 1.527 3.837 0.273 1 0 "[ . 1 . 2]" 1
1277 2 58 ILE MD 2 65 PHE QD 6.000 . 6.000 4.043 2.147 6.051 0.051 15 0 "[ . 1 . 2]" 1
1278 2 58 ILE MD 2 87 LEU QD 3.810 . 3.810 2.449 1.688 3.357 0.112 20 0 "[ . 1 . 2]" 1
1279 2 58 ILE QG 2 65 PHE QB 4.376 . 4.376 3.104 2.092 3.719 . 0 0 "[ . 1 . 2]" 1
1280 2 58 ILE QG 2 87 LEU QD 3.554 . 3.554 1.779 1.670 2.023 0.130 18 0 "[ . 1 . 2]" 1
1281 2 58 ILE QG 2 90 PHE QB 5.106 . 5.106 2.811 2.418 3.177 . 0 0 "[ . 1 . 2]" 1
1282 2 58 ILE QG 2 90 PHE QD 2.809 . 2.809 2.420 1.786 2.876 0.067 1 0 "[ . 1 . 2]" 1
1283 2 58 ILE QG 2 90 PHE QE 4.125 . 4.125 2.439 1.795 3.278 0.005 3 0 "[ . 1 . 2]" 1
1284 2 58 ILE QG 2 93 GLU QB 5.244 . 5.244 3.569 3.154 3.979 . 0 0 "[ . 1 . 2]" 1
1285 2 58 ILE QG 2 60 ILE H 3.418 . 3.418 4.565 2.819 6.067 2.649 14 12 "[ *-. * 1***+**** *]" 1
1286 2 58 ILE QG 2 65 PHE QB . . 4.290 3.425 2.147 5.155 0.865 13 3 "[ -. 1 + .* 2]" 1
1287 2 58 ILE QG 2 65 PHE QD 5.164 . 5.164 3.952 1.960 5.316 0.152 16 0 "[ . 1 . 2]" 1
1288 2 58 ILE MG 2 60 ILE QG 2.696 . 2.696 3.338 1.953 5.196 2.500 1 9 "[+* **-*** . *2]" 1
1289 2 59 HIS H 2 59 HIS QB 3.916 . 3.916 2.825 2.633 3.212 . 0 0 "[ . 1 . 2]" 1
1290 2 59 HIS H 2 60 ILE H 3.607 . 3.607 3.558 3.392 3.707 0.100 15 0 "[ . 1 . 2]" 1
1291 2 59 HIS H 2 90 PHE QD 3.488 . 3.488 3.671 3.622 3.763 0.275 18 0 "[ . 1 . 2]" 1
1292 2 59 HIS HA 2 60 ILE H 6.000 . 6.000 2.203 2.164 2.259 . 0 0 "[ . 1 . 2]" 1
1293 2 59 HIS QB 2 60 ILE H 3.493 . 3.493 3.706 3.655 3.742 0.249 10 0 "[ . 1 . 2]" 1
1294 2 59 HIS QB 2 90 PHE HZ 4.740 . 4.740 3.442 2.082 4.216 . 0 0 "[ . 1 . 2]" 1
1295 2 60 ILE HA 2 60 ILE MD 4.121 . 4.121 4.053 3.896 4.179 0.058 1 0 "[ . 1 . 2]" 1
1296 2 60 ILE HA 2 61 ASP H 4.015 . 4.015 2.569 2.267 2.786 . 0 0 "[ . 1 . 2]" 1
1297 2 60 ILE HA 2 87 LEU QB 4.966 . 4.966 4.769 4.321 4.989 0.023 1 0 "[ . 1 . 2]" 1
1298 2 60 ILE HB 2 60 ILE MD . . 3.270 2.148 1.995 2.530 . 0 0 "[ . 1 . 2]" 1
1299 2 60 ILE HB 2 61 ASP H 3.625 . 3.625 2.225 1.921 3.635 0.010 15 0 "[ . 1 . 2]" 1
1300 2 60 ILE MD 2 65 PHE QB 4.714 . 4.714 4.147 3.118 4.737 0.023 18 0 "[ . 1 . 2]" 1
1301 2 60 ILE MD 2 65 PHE QD 4.012 . 4.012 2.999 1.859 3.802 . 0 0 "[ . 1 . 2]" 1
1302 2 60 ILE MD 2 84 VAL QG 4.457 . 4.457 3.234 2.611 4.301 . 0 0 "[ . 1 . 2]" 1
1303 2 60 ILE MD 2 87 LEU QD 3.810 . 3.810 3.429 1.838 3.865 0.055 19 0 "[ . 1 . 2]" 1
1304 2 60 ILE QG 2 61 ASP QB 5.452 . 5.452 4.074 2.739 4.532 . 0 0 "[ . 1 . 2]" 1
1305 2 60 ILE QG 2 62 GLU H 3.408 . 3.408 2.484 1.888 2.898 . 0 0 "[ . 1 . 2]" 1
1306 2 60 ILE QG 2 62 GLU QB 4.975 . 4.975 2.875 2.314 3.564 . 0 0 "[ . 1 . 2]" 1
1307 2 60 ILE QG 2 65 PHE QD 6.000 . 6.000 2.671 1.992 5.066 . 0 0 "[ . 1 . 2]" 1
1308 2 60 ILE QG 2 85 ASN QB 3.802 . 3.802 3.630 3.018 3.848 0.046 12 0 "[ . 1 . 2]" 1
1309 2 60 ILE QG 2 87 LEU QB 3.455 . 3.455 2.163 1.800 2.472 0.000 11 0 "[ . 1 . 2]" 1
1310 2 60 ILE QG 2 87 LEU QD 2.200 . 2.200 2.238 2.107 2.306 0.106 13 0 "[ . 1 . 2]" 1
1311 2 60 ILE QG 2 90 PHE QE 5.015 . 5.015 3.234 2.576 4.095 . 0 0 "[ . 1 . 2]" 1
1312 2 60 ILE QG 2 90 PHE HZ 4.597 . 4.597 4.632 3.760 4.813 0.216 3 0 "[ . 1 . 2]" 1
1313 2 60 ILE QG 2 62 GLU H 2.955 . 2.955 2.657 1.910 4.974 2.019 15 1 "[ . 1 + 2]" 1
1314 2 60 ILE QG 2 63 GLY H 3.467 . 3.467 2.601 2.218 5.056 1.589 15 1 "[ . 1 + 2]" 1
1315 2 60 ILE QG 2 87 LEU QD 2.716 . 2.716 3.641 2.148 4.155 1.439 1 19 [+*-***********.*****] 1
1316 2 61 ASP H 2 61 ASP QB 3.769 . 3.769 2.259 2.084 2.621 . 0 0 "[ . 1 . 2]" 1
1317 2 61 ASP H 2 62 GLU H 2.955 . 2.955 2.825 2.528 2.966 0.011 10 0 "[ . 1 . 2]" 1
1318 2 61 ASP HA 2 63 GLY H 3.611 . 3.611 3.660 3.628 3.690 0.079 3 0 "[ . 1 . 2]" 1
1319 2 61 ASP QB 2 62 GLU H 2.955 . 2.955 2.695 2.345 2.971 0.016 12 0 "[ . 1 . 2]" 1
1320 2 62 GLU H 2 62 GLU HA 2.955 . 2.955 2.848 2.776 2.899 . 0 0 "[ . 1 . 2]" 1
1321 2 62 GLU H 2 62 GLU QB 2.955 . 2.955 2.422 2.037 2.684 . 0 0 "[ . 1 . 2]" 1
1322 2 62 GLU H 2 63 GLY H 2.955 . 2.955 2.616 2.473 2.783 . 0 0 "[ . 1 . 2]" 1
1323 2 62 GLU HA 2 62 GLU QG 3.333 . 3.333 2.682 2.254 3.337 0.004 15 0 "[ . 1 . 2]" 1
1324 2 62 GLU QG 2 84 VAL QG 3.495 . 3.495 2.520 1.900 3.456 . 0 0 "[ . 1 . 2]" 1
1325 2 62 GLU QG 2 85 ASN QB 6.000 . 6.000 3.354 1.916 5.021 . 0 0 "[ . 1 . 2]" 1
1326 2 64 ASP H 2 64 ASP QB 3.166 . 3.166 2.521 2.206 3.097 . 0 0 "[ . 1 . 2]" 1
1327 2 64 ASP HA 2 65 PHE H 3.235 . 3.235 2.171 2.097 2.278 . 0 0 "[ . 1 . 2]" 1
1328 2 64 ASP HA 2 65 PHE HA 4.651 . 4.651 4.429 4.384 4.475 . 0 0 "[ . 1 . 2]" 1
1329 2 65 PHE HA 2 66 ILE H 3.809 . 3.809 2.766 2.724 2.823 . 0 0 "[ . 1 . 2]" 1
1330 2 65 PHE QB 2 66 ILE H 4.130 . 4.130 2.105 1.978 2.215 . 0 0 "[ . 1 . 2]" 1
1331 2 65 PHE QB 2 66 ILE HA 4.142 . 4.142 4.014 3.914 4.110 . 0 0 "[ . 1 . 2]" 1
1332 2 65 PHE QB 2 66 ILE QG 3.958 . 3.958 3.958 3.755 4.040 0.082 1 0 "[ . 1 . 2]" 1
1333 2 66 ILE H 2 66 ILE HB 4.114 . 4.114 3.671 3.585 3.785 . 0 0 "[ . 1 . 2]" 1
1334 2 66 ILE HA 2 66 ILE MD . . 3.260 3.419 3.398 3.465 0.205 15 0 "[ . 1 . 2]" 1
1335 2 66 ILE HA 2 66 ILE QG . . 3.874 3.234 3.129 3.312 . 0 0 "[ . 1 . 2]" 1
1336 2 66 ILE HA 2 66 ILE QG . . 3.260 2.004 1.910 2.118 . 0 0 "[ . 1 . 2]" 1
1337 2 66 ILE HA 2 67 MET H 3.285 . 3.285 2.134 2.080 2.183 . 0 0 "[ . 1 . 2]" 1
1338 2 66 ILE QG 2 66 ILE MG . . 3.132 2.100 2.069 2.131 . 0 0 "[ . 1 . 2]" 1
1339 2 66 ILE QG 2 68 LEU QD 4.058 . 4.058 3.965 3.622 4.093 0.035 16 0 "[ . 1 . 2]" 1
1340 2 67 MET H 2 67 MET QG 3.514 . 3.514 2.520 1.928 3.609 0.095 14 0 "[ . 1 . 2]" 1
1341 2 67 MET HA 2 67 MET QG 3.976 . 3.976 2.327 2.015 2.591 . 0 0 "[ . 1 . 2]" 1
1342 2 67 MET HA 2 68 LEU H 3.920 . 3.920 2.149 2.095 2.201 . 0 0 "[ . 1 . 2]" 1
1343 2 68 LEU HA 2 68 LEU QD 3.641 . 3.641 2.352 1.870 2.917 . 0 0 "[ . 1 . 2]" 1
1344 2 68 LEU HA 2 69 THR H . . 4.437 2.339 2.281 2.377 . 0 0 "[ . 1 . 2]" 1
1345 2 68 LEU QB 2 71 GLN H 3.830 . 3.830 3.866 3.696 3.912 0.082 12 0 "[ . 1 . 2]" 1
1346 2 68 LEU QD 2 71 GLN QG . . 3.985 3.032 1.905 3.987 0.002 6 0 "[ . 1 . 2]" 1
1347 2 69 THR HA 2 69 THR MG 3.211 . 3.211 2.271 2.010 3.228 0.017 12 0 "[ . 1 . 2]" 1
1348 2 69 THR HA 2 101 LEU QD 4.308 . 4.308 3.193 2.744 3.745 . 0 0 "[ . 1 . 2]" 1
1349 2 69 THR HB 2 101 LEU QD 3.168 . 3.168 2.493 1.795 3.249 0.081 12 0 "[ . 1 . 2]" 1
1350 2 69 THR MG 2 97 ALA HA 4.296 . 4.296 3.163 2.462 4.000 . 0 0 "[ . 1 . 2]" 1
1351 2 69 THR MG 2 97 ALA MB 3.608 . 3.608 2.097 1.796 3.577 0.004 10 0 "[ . 1 . 2]" 1
1352 2 69 THR MG 2 98 ILE H 4.114 . 4.114 4.172 3.741 5.765 1.651 8 3 "[ * . + 1 - . 2]" 1
1353 2 69 THR MG 2 98 ILE HA 3.719 . 3.719 4.178 3.871 5.824 2.105 8 3 "[ * . + 1 - . 2]" 1
1354 2 69 THR MG 2 100 PHE QD 6.000 . 6.000 5.186 3.265 6.508 0.508 7 1 "[ . + 1 . 2]" 1
1355 2 69 THR MG 2 101 LEU QB . . 3.362 2.538 1.803 3.640 0.278 7 0 "[ . 1 . 2]" 1
1356 2 69 THR MG 2 101 LEU QD . . 3.057 1.901 1.739 3.127 0.070 8 0 "[ . 1 . 2]" 1
1357 2 71 GLN H 2 72 MET H 4.085 . 4.085 2.131 1.969 2.482 . 0 0 "[ . 1 . 2]" 1
1358 2 71 GLN H 2 72 MET QB 3.561 . 3.561 3.631 3.591 3.684 0.123 4 0 "[ . 1 . 2]" 1
1359 2 71 GLN HA 2 71 GLN QG 3.403 . 3.403 2.230 2.047 2.446 . 0 0 "[ . 1 . 2]" 1
1360 2 71 GLN QB 2 73 THR MG 3.672 . 3.672 3.609 3.147 3.960 0.288 20 0 "[ . 1 . 2]" 1
1361 2 72 MET H 2 72 MET QB . . 3.916 2.475 2.020 2.963 . 0 0 "[ . 1 . 2]" 1
1362 2 72 MET HA 2 72 MET QG 3.815 . 3.815 2.305 2.133 2.655 . 0 0 "[ . 1 . 2]" 1
1363 2 72 MET HA 2 73 THR H . . 3.093 2.198 2.134 2.301 . 0 0 "[ . 1 . 2]" 1
1364 2 72 MET QB 2 101 LEU QD 3.301 . 3.301 3.030 2.515 3.403 0.102 7 0 "[ . 1 . 2]" 1
1365 2 72 MET QG 2 73 THR H . . 3.093 2.688 2.042 3.118 0.025 12 0 "[ . 1 . 2]" 1
1366 2 72 MET QG 2 73 THR HA 5.131 . 5.131 4.138 3.754 4.527 . 0 0 "[ . 1 . 2]" 1
1367 2 73 THR H 2 73 THR MG . . 3.221 2.636 2.064 3.757 0.536 20 1 "[ . 1 . +]" 1
1368 2 73 THR HA 2 74 SER H 6.000 . 6.000 2.285 2.160 2.601 . 0 0 "[ . 1 . 2]" 1
1369 2 73 THR MG 2 75 VAL QG 6.000 . 6.000 3.775 2.663 5.493 . 0 0 "[ . 1 . 2]" 1
1370 2 74 SER H 2 74 SER QB 3.221 . 3.221 2.567 2.182 3.090 . 0 0 "[ . 1 . 2]" 1
1371 2 74 SER HA 2 75 VAL H 3.685 . 3.685 2.142 2.096 2.461 . 0 0 "[ . 1 . 2]" 1
1372 2 74 SER HA 2 75 VAL QG 4.156 . 4.156 3.366 3.049 4.192 0.036 8 0 "[ . 1 . 2]" 1
1373 2 74 SER QB 2 75 VAL QG 6.000 . 6.000 4.276 3.780 4.924 . 0 0 "[ . 1 . 2]" 1
1374 2 75 VAL H 2 75 VAL QG . . 3.754 1.939 1.782 2.583 0.018 3 0 "[ . 1 . 2]" 1
1375 2 75 VAL HA 2 76 PRO QD 4.447 . 4.447 1.960 1.921 2.033 . 0 0 "[ . 1 . 2]" 1
1376 2 75 VAL HA 2 76 PRO QG 3.866 . 3.866 3.871 3.830 3.932 0.066 11 0 "[ . 1 . 2]" 1
1377 2 75 VAL HA 2 79 ILE MD 3.964 . 3.964 3.450 2.649 3.998 0.034 5 0 "[ . 1 . 2]" 1
1378 2 75 VAL HB 2 76 PRO QD 3.870 . 3.870 3.637 3.009 3.931 0.061 8 0 "[ . 1 . 2]" 1
1379 2 75 VAL HB 2 79 ILE MD 3.190 . 3.190 3.099 2.163 3.442 0.252 8 0 "[ . 1 . 2]" 1
1380 2 75 VAL QG 2 79 ILE MD 3.488 . 3.488 2.357 1.532 3.322 0.268 8 0 "[ . 1 . 2]" 1
1381 2 75 VAL QG 2 80 LEU QD . . 4.411 2.155 1.776 3.348 0.024 4 0 "[ . 1 . 2]" 1
1382 2 76 PRO HA 2 76 PRO QG 3.706 . 3.706 2.858 2.788 2.948 . 0 0 "[ . 1 . 2]" 1
1383 2 76 PRO HA 2 77 VAL H 4.655 . 4.655 2.148 2.112 2.235 . 0 0 "[ . 1 . 2]" 1
1384 2 76 PRO QB 2 78 LYS H . . 3.251 3.062 2.976 3.162 . 0 0 "[ . 1 . 2]" 1
1385 2 76 PRO QB 2 79 ILE H 4.795 . 4.795 2.853 2.454 3.199 . 0 0 "[ . 1 . 2]" 1
1386 2 76 PRO QB 2 79 ILE QG 3.139 . 3.139 2.464 1.795 2.885 0.005 7 0 "[ . 1 . 2]" 1
1387 2 76 PRO QD 2 79 ILE QG 4.166 . 4.166 2.912 1.849 3.816 . 0 0 "[ . 1 . 2]" 1
1388 2 76 PRO QG 2 78 LYS QE 5.022 . 5.022 4.263 3.231 5.025 0.003 18 0 "[ . 1 . 2]" 1
1389 2 77 VAL H 2 77 VAL QG 4.213 . 4.213 2.252 2.065 2.404 . 0 0 "[ . 1 . 2]" 1
1390 2 77 VAL H 2 80 LEU QD 4.105 . 4.105 3.917 3.128 4.162 0.057 16 0 "[ . 1 . 2]" 1
1391 2 77 VAL HA 2 77 VAL HB . . 2.788 2.443 2.336 2.468 . 0 0 "[ . 1 . 2]" 1
1392 2 77 VAL HA 2 77 VAL QG . . 2.947 2.279 2.191 2.413 . 0 0 "[ . 1 . 2]" 1
1393 2 77 VAL HA 2 80 LEU QB 4.605 . 4.605 2.214 1.906 3.048 . 0 0 "[ . 1 . 2]" 1
1394 2 77 VAL HA 2 80 LEU QD . . 3.791 2.261 1.847 2.644 . 0 0 "[ . 1 . 2]" 1
1395 2 77 VAL QG 2 78 LYS H 3.791 . 3.791 1.879 1.843 1.954 . 0 0 "[ . 1 . 2]" 1
1396 2 77 VAL QG 2 78 LYS HA 2.937 . 2.937 2.952 2.937 2.979 0.042 19 0 "[ . 1 . 2]" 1
1397 2 77 VAL QG 2 78 LYS QE 3.734 . 3.734 3.080 1.796 3.740 0.006 16 0 "[ . 1 . 2]" 1
1398 2 77 VAL QG 2 78 LYS QG 3.173 . 3.173 3.206 3.180 3.255 0.082 8 0 "[ . 1 . 2]" 1
1399 2 77 VAL QG 2 80 LEU QB 5.037 . 5.037 3.061 2.733 3.414 . 0 0 "[ . 1 . 2]" 1
1400 2 77 VAL QG 2 80 LEU QD . . 4.664 2.819 2.196 3.878 . 0 0 "[ . 1 . 2]" 1
1401 2 78 LYS H 2 78 LYS QB 3.687 . 3.687 2.939 2.908 2.972 . 0 0 "[ . 1 . 2]" 1
1402 2 78 LYS H 2 78 LYS QG 3.282 . 3.282 1.931 1.818 1.989 . 0 0 "[ . 1 . 2]" 1
1403 2 78 LYS H 2 79 ILE H 4.655 . 4.655 2.989 2.844 3.099 . 0 0 "[ . 1 . 2]" 1
1404 2 78 LYS HA 2 78 LYS QB 2.330 . 2.330 2.138 2.134 2.145 . 0 0 "[ . 1 . 2]" 1
1405 2 78 LYS HA 2 78 LYS QD 2.878 . 2.878 2.995 2.975 3.020 0.142 4 0 "[ . 1 . 2]" 1
1406 2 78 LYS HA 2 78 LYS QG 3.218 . 3.218 3.356 3.314 3.389 0.171 7 0 "[ . 1 . 2]" 1
1407 2 78 LYS QB 2 78 LYS QE 3.739 . 3.739 3.047 2.428 3.668 . 0 0 "[ . 1 . 2]" 1
1408 2 78 LYS QB 2 78 LYS QG 2.310 . 2.310 2.009 2.007 2.011 . 0 0 "[ . 1 . 2]" 1
1409 2 78 LYS QB 2 79 ILE HA 3.568 . 3.568 3.699 3.677 3.729 0.161 11 0 "[ . 1 . 2]" 1
1410 2 78 LYS QD 2 78 LYS QE 2.200 . 2.200 2.044 1.978 2.090 . 0 0 "[ . 1 . 2]" 1
1411 2 78 LYS QD 2 78 LYS QG 2.200 . 2.200 2.044 2.031 2.071 . 0 0 "[ . 1 . 2]" 1
1412 2 78 LYS QE 2 78 LYS QG 3.279 . 3.279 2.164 1.986 2.603 . 0 0 "[ . 1 . 2]" 1
1413 2 78 LYS QG 2 79 ILE QG 2.373 . 2.373 2.520 2.489 2.630 0.257 6 0 "[ . 1 . 2]" 1
1414 2 79 ILE H 2 79 ILE QG . . 4.195 1.803 1.764 1.865 0.036 20 0 "[ . 1 . 2]" 1
1415 2 79 ILE H 2 80 LEU H 2.973 . 2.973 2.711 2.229 2.976 0.003 7 0 "[ . 1 . 2]" 1
1416 2 79 ILE HA 2 79 ILE HB 2.748 . 2.748 2.552 2.327 2.738 . 0 0 "[ . 1 . 2]" 1
1417 2 79 ILE HA 2 79 ILE MD 3.468 . 3.468 3.650 3.485 3.881 0.413 17 0 "[ . 1 . 2]" 1
1418 2 79 ILE HA 2 79 ILE QG . . 2.776 2.180 1.931 2.425 . 0 0 "[ . 1 . 2]" 1
1419 2 79 ILE HB 2 79 ILE MD . . 3.142 2.533 2.250 2.988 . 0 0 "[ . 1 . 2]" 1
1420 2 79 ILE QG 2 80 LEU HA 5.022 . 5.022 4.351 3.545 4.945 . 0 0 "[ . 1 . 2]" 1
1421 2 80 LEU HA 2 80 LEU QD . . 3.144 1.927 1.838 2.110 . 0 0 "[ . 1 . 2]" 1
1422 2 80 LEU HA 2 81 SER H 3.429 . 3.429 2.317 2.047 2.661 . 0 0 "[ . 1 . 2]" 1
1423 2 81 SER QB 2 82 GLU H 5.295 . 5.295 3.383 3.113 3.706 . 0 0 "[ . 1 . 2]" 1
1424 2 82 GLU HA 2 82 GLU QB 2.716 . 2.716 2.500 2.265 2.559 . 0 0 "[ . 1 . 2]" 1
1425 2 82 GLU HA 2 82 GLU QG 2.810 . 2.810 2.259 2.039 2.669 . 0 0 "[ . 1 . 2]" 1
1426 2 82 GLU HA 2 83 PRO QD . . 3.013 2.013 1.969 2.043 . 0 0 "[ . 1 . 2]" 1
1427 2 82 GLU QB 2 83 PRO QD 3.869 . 3.869 3.723 3.636 3.820 . 0 0 "[ . 1 . 2]" 1
1428 2 82 GLU QG 2 83 PRO QD . . 2.942 2.922 2.722 2.975 0.033 15 0 "[ . 1 . 2]" 1
1429 2 83 PRO HA 2 83 PRO QD 3.490 . 3.490 3.268 3.098 3.368 . 0 0 "[ . 1 . 2]" 1
1430 2 83 PRO HA 2 83 PRO QG 3.551 . 3.551 2.779 2.691 2.862 . 0 0 "[ . 1 . 2]" 1
1431 2 83 PRO HA 2 84 VAL H 5.178 . 5.178 2.232 2.111 2.445 . 0 0 "[ . 1 . 2]" 1
1432 2 84 VAL H 2 84 VAL QG 3.956 . 3.956 1.874 1.785 2.068 0.015 17 0 "[ . 1 . 2]" 1
1433 2 84 VAL HA 2 84 VAL HB 2.778 . 2.778 2.480 2.409 2.585 . 0 0 "[ . 1 . 2]" 1
1434 2 84 VAL HA 2 84 VAL QG . . 2.738 2.280 2.174 2.343 . 0 0 "[ . 1 . 2]" 1
1435 2 84 VAL QG 2 85 ASN H 4.195 . 4.195 1.964 1.871 2.046 . 0 0 "[ . 1 . 2]" 1
1436 2 84 VAL QG 2 85 ASN QB 4.601 . 4.601 2.424 2.184 2.832 . 0 0 "[ . 1 . 2]" 1
1437 2 85 ASN HA 2 86 GLU H 2.906 . 2.906 2.960 2.917 3.006 0.100 6 0 "[ . 1 . 2]" 1
1438 2 85 ASN QB 2 86 GLU H 3.945 . 3.945 1.989 1.899 2.056 . 0 0 "[ . 1 . 2]" 1
1439 2 86 GLU H 2 86 GLU QB 3.615 . 3.615 3.035 2.719 3.306 . 0 0 "[ . 1 . 2]" 1
1440 2 86 GLU H 2 87 LEU HA 4.412 2.800 4.412 4.526 4.500 4.560 0.148 1 0 "[ . 1 . 2]" 1
1441 2 86 GLU HA 2 86 GLU QG 3.835 . 3.835 2.776 2.239 3.472 . 0 0 "[ . 1 . 2]" 1
1442 2 86 GLU HA 2 87 LEU QD 3.709 . 3.709 3.273 3.092 3.379 . 0 0 "[ . 1 . 2]" 1
1443 2 86 GLU QB 2 87 LEU QD 4.144 . 4.144 4.155 4.103 4.190 0.046 19 0 "[ . 1 . 2]" 1
1444 2 86 GLU QB 2 88 SER H 4.900 . 4.900 3.494 3.335 3.669 . 0 0 "[ . 1 . 2]" 1
1445 2 86 GLU QG 2 87 LEU QD 5.217 . 5.217 4.860 4.238 5.077 . 0 0 "[ . 1 . 2]" 1
1446 2 87 LEU H 2 87 LEU QB 3.687 . 3.687 3.086 2.824 3.222 . 0 0 "[ . 1 . 2]" 1
1447 2 87 LEU H 2 88 SER H 3.710 . 3.710 3.305 3.181 3.469 . 0 0 "[ . 1 . 2]" 1
1448 2 87 LEU HA 2 87 LEU QD 2.892 . 2.892 3.147 3.125 3.167 0.275 12 0 "[ . 1 . 2]" 1
1449 2 87 LEU HA 2 90 PHE QB 4.087 . 4.087 3.642 3.296 4.053 . 0 0 "[ . 1 . 2]" 1
1450 2 87 LEU QB 2 88 SER H 3.487 . 3.487 3.797 3.749 3.869 0.382 19 0 "[ . 1 . 2]" 1
1451 2 87 LEU QB 2 89 THR MG 3.649 . 3.649 3.787 3.098 5.560 1.911 11 4 "[ . 1+ *-* 2]" 1
1452 2 87 LEU QB 2 90 PHE QB 4.772 . 4.772 1.875 1.727 2.356 0.073 14 0 "[ . 1 . 2]" 1
1453 2 87 LEU QB 2 90 PHE QD 4.432 . 4.432 2.533 1.794 3.426 0.006 15 0 "[ . 1 . 2]" 1
1454 2 87 LEU QD 2 88 SER H 3.508 . 3.508 3.625 3.545 3.692 0.184 14 0 "[ . 1 . 2]" 1
1455 2 87 LEU QD 2 90 PHE QB 4.261 . 4.261 2.620 2.359 2.848 . 0 0 "[ . 1 . 2]" 1
1456 2 87 LEU QD 2 90 PHE QD 3.624 . 3.624 2.960 2.619 3.221 . 0 0 "[ . 1 . 2]" 1
1457 2 87 LEU QD 2 90 PHE QE 3.921 . 3.921 4.067 3.988 4.146 0.225 7 0 "[ . 1 . 2]" 1
1458 2 88 SER H 2 88 SER QB 3.691 . 3.691 2.703 2.495 2.951 . 0 0 "[ . 1 . 2]" 1
1459 2 88 SER H 2 89 THR H 3.472 . 3.472 2.531 2.418 2.634 . 0 0 "[ . 1 . 2]" 1
1460 2 88 SER H 2 90 PHE H 3.631 . 3.631 3.722 3.657 3.801 0.170 1 0 "[ . 1 . 2]" 1
1461 2 88 SER HA 2 88 SER QB 2.651 . 2.651 2.256 2.153 2.349 . 0 0 "[ . 1 . 2]" 1
1462 2 88 SER HA 2 90 PHE H 3.650 . 3.650 3.611 3.539 3.654 0.004 12 0 "[ . 1 . 2]" 1
1463 2 88 SER HA 2 91 ARG QB . . 4.147 2.882 2.762 3.009 . 0 0 "[ . 1 . 2]" 1
1464 2 88 SER HA 2 91 ARG QG 3.916 . 3.916 4.131 4.081 4.150 0.234 6 0 "[ . 1 . 2]" 1
1465 2 88 SER HA 2 94 ILE MD 5.464 . 5.464 4.690 3.445 5.340 . 0 0 "[ . 1 . 2]" 1
1466 2 88 SER QB 2 91 ARG H 4.114 . 4.114 4.221 4.187 4.250 0.136 3 0 "[ . 1 . 2]" 1
1467 2 88 SER QB 2 91 ARG QB 4.530 . 4.530 3.535 3.344 3.689 . 0 0 "[ . 1 . 2]" 1
1468 2 88 SER QB 2 91 ARG QD . . 4.563 3.053 2.851 3.198 . 0 0 "[ . 1 . 2]" 1
1469 2 89 THR H 2 89 THR MG 4.015 . 4.015 2.523 2.346 2.631 . 0 0 "[ . 1 . 2]" 1
1470 2 89 THR HA 2 89 THR HB 2.910 . 2.910 2.547 2.498 2.592 . 0 0 "[ . 1 . 2]" 1
1471 2 89 THR HA 2 89 THR MG . . 2.791 3.013 2.155 3.218 0.427 17 0 "[ . 1 . 2]" 1
1472 2 89 THR HA 2 91 ARG QD 4.132 . 4.132 2.846 2.767 2.950 . 0 0 "[ . 1 . 2]" 1
1473 2 89 THR MG 2 90 PHE QB 2.968 . 2.968 3.431 2.833 5.242 2.274 15 4 "[ . 1* *+- 2]" 1
1474 2 89 THR MG 2 91 ARG QD 4.061 . 4.061 4.937 4.228 5.120 1.059 7 16 "[*-****+*** ** . ****]" 1
1475 2 90 PHE H 2 90 PHE HA 3.093 . 3.093 2.916 2.902 2.932 . 0 0 "[ . 1 . 2]" 1
1476 2 90 PHE H 2 90 PHE QB . . 3.093 2.123 2.028 2.256 . 0 0 "[ . 1 . 2]" 1
1477 2 90 PHE H 2 90 PHE QD 4.015 . 4.015 3.387 2.871 3.723 . 0 0 "[ . 1 . 2]" 1
1478 2 90 PHE H 2 91 ARG H 4.015 . 4.015 2.447 2.431 2.457 . 0 0 "[ . 1 . 2]" 1
1479 2 90 PHE HA 2 91 ARG H 3.325 . 3.325 3.199 3.112 3.250 . 0 0 "[ . 1 . 2]" 1
1480 2 90 PHE HA 2 91 ARG QG 4.377 . 4.377 3.963 3.835 4.058 . 0 0 "[ . 1 . 2]" 1
1481 2 90 PHE HA 2 93 GLU QB 3.076 . 3.076 3.083 2.939 3.134 0.058 12 0 "[ . 1 . 2]" 1
1482 2 90 PHE QB 2 93 GLU QB . . 3.722 2.623 2.074 3.260 . 0 0 "[ . 1 . 2]" 1
1483 2 90 PHE QB 2 94 ILE QG . . 4.970 3.899 3.210 4.457 . 0 0 "[ . 1 . 2]" 1
1484 2 90 PHE QD 2 93 GLU QB 4.642 . 4.642 2.271 1.791 3.341 0.009 7 0 "[ . 1 . 2]" 1
1485 2 90 PHE QD 2 93 GLU QG 4.506 . 4.506 2.812 2.164 3.876 . 0 0 "[ . 1 . 2]" 1
1486 2 91 ARG H 2 91 ARG QB . . 3.640 2.598 2.583 2.612 . 0 0 "[ . 1 . 2]" 1
1487 2 91 ARG H 2 91 ARG QD 3.178 . 3.178 3.162 3.081 3.201 0.023 17 0 "[ . 1 . 2]" 1
1488 2 91 ARG H 2 91 ARG QG 2.991 . 2.991 1.779 1.769 1.795 0.031 6 0 "[ . 1 . 2]" 1
1489 2 91 ARG HA 2 91 ARG QG 2.787 . 2.787 3.193 3.190 3.198 0.411 11 0 "[ . 1 . 2]" 1
1490 2 91 ARG HA 2 94 ILE HB 3.456 . 3.456 2.756 2.340 3.486 0.030 3 0 "[ . 1 . 2]" 1
1491 2 91 ARG QB 2 91 ARG QD . . 2.259 2.024 2.013 2.053 . 0 0 "[ . 1 . 2]" 1
1492 2 91 ARG QB 2 91 ARG QG . . 2.200 2.041 2.038 2.043 . 0 0 "[ . 1 . 2]" 1
1493 2 91 ARG QB 2 92 ASN HA 5.083 . 5.083 4.015 3.937 4.083 . 0 0 "[ . 1 . 2]" 1
1494 2 91 ARG QB 2 95 ILE QG 3.923 . 3.923 3.452 3.048 3.775 . 0 0 "[ . 1 . 2]" 1
1495 2 91 ARG QD 2 91 ARG QG 2.395 . 2.395 2.027 2.023 2.042 . 0 0 "[ . 1 . 2]" 1
1496 2 91 ARG QG 2 92 ASN H 2.834 . 2.834 2.030 1.897 2.162 . 0 0 "[ . 1 . 2]" 1
1497 2 91 ARG QG 2 92 ASN HA 3.582 . 3.582 3.666 3.639 3.709 0.127 15 0 "[ . 1 . 2]" 1
1498 2 92 ASN H 2 92 ASN QB 3.315 . 3.315 2.231 2.138 2.430 . 0 0 "[ . 1 . 2]" 1
1499 2 92 ASN H 2 93 GLU H 3.916 . 3.916 2.795 2.661 2.879 . 0 0 "[ . 1 . 2]" 1
1500 2 92 ASN HA 2 92 ASN QB 2.594 . 2.594 2.401 2.156 2.533 . 0 0 "[ . 1 . 2]" 1
1501 2 92 ASN HA 2 95 ILE HB 4.134 . 4.134 2.153 1.904 2.423 . 0 0 "[ . 1 . 2]" 1
1502 2 92 ASN HA 2 95 ILE QG 3.817 . 3.817 2.962 2.772 3.291 . 0 0 "[ . 1 . 2]" 1
1503 2 92 ASN QB 2 93 GLU H 6.000 . 6.000 2.817 2.473 3.358 . 0 0 "[ . 1 . 2]" 1
1504 2 92 ASN QB 2 93 GLU HA 4.605 . 4.605 3.979 3.659 4.583 . 0 0 "[ . 1 . 2]" 1
1505 2 92 ASN QB 2 96 ALA H 3.431 . 3.431 3.615 3.545 3.669 0.238 20 0 "[ . 1 . 2]" 1
1506 2 92 ASN QD 2 96 ALA MB 3.590 . 3.590 2.291 2.164 2.387 . 0 0 "[ . 1 . 2]" 1
1507 2 93 GLU H 2 94 ILE H . . 3.830 2.785 2.733 2.845 . 0 0 "[ . 1 . 2]" 1
1508 2 93 GLU HA 2 93 GLU QG . . 3.235 2.264 2.041 2.637 . 0 0 "[ . 1 . 2]" 1
1509 2 93 GLU HA 2 96 ALA H 4.261 . 4.261 4.028 3.885 4.264 0.003 19 0 "[ . 1 . 2]" 1
1510 2 93 GLU HA 2 96 ALA MB 3.445 . 3.445 2.927 2.738 3.112 . 0 0 "[ . 1 . 2]" 1
1511 2 93 GLU QB 2 94 ILE H . . 3.830 2.386 2.172 2.518 . 0 0 "[ . 1 . 2]" 1
1512 2 93 GLU QB 2 94 ILE HA 3.292 . 3.292 3.534 3.510 3.572 0.280 3 0 "[ . 1 . 2]" 1
1513 2 93 GLU QG 2 94 ILE QG 5.114 . 5.114 4.983 4.383 5.239 0.125 20 0 "[ . 1 . 2]" 1
1514 2 94 ILE H 2 94 ILE HB . . 3.830 2.433 2.193 3.014 . 0 0 "[ . 1 . 2]" 1
1515 2 94 ILE H 2 94 ILE QG 4.184 . 4.184 2.784 1.795 3.128 0.005 10 0 "[ . 1 . 2]" 1
1516 2 94 ILE HA 2 94 ILE QG 2.877 . 2.877 2.534 2.240 3.284 0.407 18 0 "[ . 1 . 2]" 1
1517 2 94 ILE HA 2 95 ILE H 3.645 . 3.645 3.520 3.495 3.550 . 0 0 "[ . 1 . 2]" 1
1518 2 94 ILE HA 2 97 ALA MB . . 3.739 2.899 2.435 3.487 . 0 0 "[ . 1 . 2]" 1
1519 2 94 ILE HB 2 95 ILE H 4.186 . 4.186 2.712 2.466 2.920 . 0 0 "[ . 1 . 2]" 1
1520 2 95 ILE H 2 95 ILE HB 3.637 . 3.637 2.566 2.451 2.616 . 0 0 "[ . 1 . 2]" 1
1521 2 95 ILE H 2 96 ALA H . . 3.388 2.819 2.733 2.915 . 0 0 "[ . 1 . 2]" 1
1522 2 95 ILE HA 2 98 ILE HB . . 3.709 2.982 2.397 3.395 . 0 0 "[ . 1 . 2]" 1
1523 2 95 ILE HA 2 98 ILE MD . . 3.611 3.647 3.612 3.709 0.098 19 0 "[ . 1 . 2]" 1
1524 2 95 ILE HB 2 96 ALA H 3.388 . 3.388 2.095 1.944 2.217 . 0 0 "[ . 1 . 2]" 1
1525 2 96 ALA H 2 96 ALA MB 3.567 . 3.567 2.192 2.068 2.263 . 0 0 "[ . 1 . 2]" 1
1526 2 96 ALA H 2 97 ALA H 3.350 . 3.350 2.913 2.775 3.144 . 0 0 "[ . 1 . 2]" 1
1527 2 96 ALA HA 2 99 ASP H 3.969 . 3.969 3.569 3.410 3.773 . 0 0 "[ . 1 . 2]" 1
1528 2 96 ALA HA 2 99 ASP HA 4.772 . 4.772 4.863 4.819 4.879 0.107 1 0 "[ . 1 . 2]" 1
1529 2 96 ALA HA 2 99 ASP QB 3.133 . 3.133 2.141 2.110 2.206 . 0 0 "[ . 1 . 2]" 1
1530 2 96 ALA MB 2 97 ALA H 3.906 . 3.906 2.738 2.486 2.885 . 0 0 "[ . 1 . 2]" 1
1531 2 96 ALA MB 2 99 ASP QB 3.648 . 3.648 3.589 3.496 3.736 0.088 10 0 "[ . 1 . 2]" 1
1532 2 97 ALA H 2 97 ALA MB 3.372 . 3.372 2.201 2.141 2.224 . 0 0 "[ . 1 . 2]" 1
1533 2 97 ALA HA 2 100 PHE H 3.832 . 3.832 3.762 3.454 3.924 0.092 19 0 "[ . 1 . 2]" 1
1534 2 97 ALA HA 2 100 PHE QB 3.642 . 3.642 3.364 3.155 3.540 . 0 0 "[ . 1 . 2]" 1
1535 2 97 ALA HA 2 100 PHE QD 4.250 . 4.250 4.228 4.052 4.265 0.015 18 0 "[ . 1 . 2]" 1
1536 2 97 ALA HA 2 101 LEU QD 3.157 . 3.157 3.387 3.289 3.439 0.282 13 0 "[ . 1 . 2]" 1
1537 2 97 ALA MB 2 98 ILE H 3.141 . 3.141 1.742 1.716 1.764 0.084 8 0 "[ . 1 . 2]" 1
1538 2 97 ALA MB 2 98 ILE HB 3.261 . 3.261 3.540 3.501 3.563 0.302 19 0 "[ . 1 . 2]" 1
1539 2 97 ALA MB 2 100 PHE QB 5.452 . 5.452 4.655 4.527 4.790 . 0 0 "[ . 1 . 2]" 1
1540 2 97 ALA MB 2 101 LEU QB 3.949 . 3.949 3.497 3.135 3.756 . 0 0 "[ . 1 . 2]" 1
1541 2 98 ILE H 2 98 ILE HB 3.958 . 3.958 2.099 2.066 2.121 . 0 0 "[ . 1 . 2]" 1
1542 2 98 ILE H 2 98 ILE MD 3.924 . 3.924 2.429 1.800 3.946 0.022 5 0 "[ . 1 . 2]" 1
1543 2 98 ILE H 2 98 ILE QG 3.830 . 3.830 3.118 2.410 3.411 . 0 0 "[ . 1 . 2]" 1
1544 2 98 ILE HA 2 98 ILE MD 3.438 . 3.438 2.736 2.350 3.509 0.071 10 0 "[ . 1 . 2]" 1
1545 2 98 ILE HA 2 101 LEU QB 4.128 . 4.128 3.574 3.196 3.904 . 0 0 "[ . 1 . 2]" 1
1546 2 98 ILE HA 2 101 LEU QD 3.410 . 3.410 2.095 1.775 3.422 0.025 17 0 "[ . 1 . 2]" 1
1547 2 98 ILE HB 2 98 ILE MD . . 2.963 2.421 2.168 2.795 . 0 0 "[ . 1 . 2]" 1
1548 2 98 ILE HB 2 99 ASP H 5.020 . 5.020 2.270 2.054 2.499 . 0 0 "[ . 1 . 2]" 1
1549 2 98 ILE HB 2 99 ASP QB 3.397 . 3.397 3.628 3.583 3.664 0.267 14 0 "[ . 1 . 2]" 1
1550 2 98 ILE MD 2 102 ILE QG 3.573 . 3.573 3.738 2.971 4.640 1.067 2 3 "[ + . 1 - * 2]" 1
1551 2 99 ASP HA 2 102 ILE H 4.181 . 4.181 4.244 4.193 4.293 0.112 10 0 "[ . 1 . 2]" 1
1552 2 99 ASP HA 2 105 ILE QG 3.643 . 3.643 3.472 3.103 3.770 0.127 19 0 "[ . 1 . 2]" 1
1553 2 99 ASP QB 2 100 PHE H 4.193 . 4.193 3.028 2.907 3.369 . 0 0 "[ . 1 . 2]" 1
1554 2 99 ASP QB 2 103 THR MG 4.179 . 4.179 4.388 3.614 5.800 1.621 19 5 "[ . * 1- .* +*]" 1
1555 2 100 PHE H 2 101 LEU H 3.830 . 3.830 2.064 1.970 2.214 . 0 0 "[ . 1 . 2]" 1
1556 2 100 PHE H 2 101 LEU QB 3.438 . 3.438 3.589 3.539 3.669 0.231 11 0 "[ . 1 . 2]" 1
1557 2 100 PHE H 2 103 THR H 3.594 . 3.594 3.731 3.649 3.853 0.259 10 0 "[ . 1 . 2]" 1
1558 2 100 PHE H 2 105 ILE MD 4.150 . 4.150 4.037 3.218 4.319 0.169 19 0 "[ . 1 . 2]" 1
1559 2 100 PHE HA 2 100 PHE QD 3.278 . 3.278 2.483 1.867 2.806 . 0 0 "[ . 1 . 2]" 1
1560 2 100 PHE HA 2 103 THR H 3.646 . 3.646 3.602 3.190 3.740 0.094 4 0 "[ . 1 . 2]" 1
1561 2 100 PHE HA 2 105 ILE H 6.000 . 6.000 2.981 1.901 4.302 . 0 0 "[ . 1 . 2]" 1
1562 2 100 PHE QB 2 101 LEU H . . 4.157 2.368 2.099 2.583 . 0 0 "[ . 1 . 2]" 1
1563 2 100 PHE QB 2 101 LEU QB 4.245 . 4.245 3.556 3.406 3.627 . 0 0 "[ . 1 . 2]" 1
1564 2 100 PHE QD 2 104 GLY QA 4.900 . 4.900 2.517 1.974 3.430 . 0 0 "[ . 1 . 2]" 1
1565 2 101 LEU HA 2 101 LEU QD . . 3.425 3.009 2.597 3.171 . 0 0 "[ . 1 . 2]" 1
1566 2 101 LEU QB 2 102 ILE H 4.896 . 4.896 3.047 2.920 3.337 . 0 0 "[ . 1 . 2]" 1
1567 2 101 LEU QB 2 102 ILE QG 3.186 . 3.186 3.669 3.187 4.906 1.720 15 6 "[ * . -* + * *2]" 1
1568 2 101 LEU QD 2 102 ILE HA 3.344 . 3.344 3.259 2.327 3.478 0.134 5 0 "[ . 1 . 2]" 1
1569 2 101 LEU QD 2 102 ILE QG 3.178 . 3.178 2.357 1.417 4.015 0.837 19 4 "[ * . 1 * - +2]" 1
1570 2 101 LEU HG 2 102 ILE QG . . 3.054 2.017 1.742 3.428 0.374 6 0 "[ . 1 . 2]" 1
1571 2 102 ILE H 2 102 ILE HB 4.049 . 4.049 3.047 2.644 3.752 . 0 0 "[ . 1 . 2]" 1
1572 2 102 ILE H 2 102 ILE QG 4.655 . 4.655 2.211 2.003 2.617 . 0 0 "[ . 1 . 2]" 1
1573 2 102 ILE H 2 102 ILE QG 4.331 . 4.331 2.075 1.913 2.275 . 0 0 "[ . 1 . 2]" 1
1574 2 102 ILE H 2 103 THR H 3.924 . 3.924 2.211 2.088 2.307 . 0 0 "[ . 1 . 2]" 1
1575 2 102 ILE HA 2 102 ILE QG 3.950 . 3.950 2.824 2.472 3.516 . 0 0 "[ . 1 . 2]" 1
1576 2 102 ILE HA 2 102 ILE QG . . 3.345 2.199 2.004 2.512 . 0 0 "[ . 1 . 2]" 1
1577 2 102 ILE HA 2 103 THR H 4.623 . 4.623 3.485 3.410 3.529 . 0 0 "[ . 1 . 2]" 1
1578 2 102 ILE HB 2 102 ILE MD 2.842 . 2.842 2.365 2.128 2.461 . 0 0 "[ . 1 . 2]" 1
1579 2 102 ILE HB 2 103 THR MG 3.532 . 3.532 4.015 2.526 5.384 1.852 7 9 "[ ***+* 1 * .* * -]" 1
1580 2 102 ILE QG 2 102 ILE MG 3.160 . 3.160 2.232 2.055 2.369 . 0 0 "[ . 1 . 2]" 1
1581 2 102 ILE QG 2 103 THR HB 5.537 . 5.537 4.802 4.064 5.422 . 0 0 "[ . 1 . 2]" 1
1582 2 102 ILE QG 2 103 THR MG 3.581 . 3.581 3.700 1.793 5.150 1.569 6 9 "[ **+** 1 * .* * -]" 1
1583 2 103 THR HA 2 103 THR MG 3.030 . 3.030 2.485 2.092 2.836 . 0 0 "[ . 1 . 2]" 1
1584 2 103 THR HA 2 104 GLY QA 4.256 . 4.256 4.295 4.214 4.344 0.088 4 0 "[ . 1 . 2]" 1
1585 2 103 THR MG 2 105 ILE H 5.235 . 5.235 3.967 1.837 6.658 1.423 19 1 "[ . 1 . +2]" 1
1586 2 103 THR MG 2 105 ILE HB 4.242 . 4.242 5.127 3.776 6.397 2.155 11 11 "[*** . *-+* ** * *2]" 1
1587 2 104 GLY H 2 105 ILE H 3.251 . 3.251 2.874 2.168 3.289 0.038 10 0 "[ . 1 . 2]" 1
1588 2 105 ILE H 2 105 ILE HB 3.606 . 3.606 3.483 2.501 3.629 0.023 12 0 "[ . 1 . 2]" 1
1589 2 105 ILE HA 2 105 ILE HB 3.136 . 3.136 2.725 2.475 3.014 . 0 0 "[ . 1 . 2]" 1
1590 2 105 ILE HA 2 105 ILE MD . . 3.680 3.574 3.406 3.808 0.128 10 0 "[ . 1 . 2]" 1
1591 2 105 ILE HA 2 105 ILE QG 2.533 . 2.533 2.152 2.026 2.276 . 0 0 "[ . 1 . 2]" 1
1592 2 105 ILE HB 2 105 ILE MD 2.980 . 2.980 2.404 2.177 2.518 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 8:49:41 AM GMT (wattos1)