NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406696 |
1xs8   |
6359 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xs8
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 1158
_Distance_constraint_stats_list.Viol_count 1238
_Distance_constraint_stats_list.Viol_total 20823.564
_Distance_constraint_stats_list.Viol_max 9.485
_Distance_constraint_stats_list.Viol_rms 0.3723
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0450
_Distance_constraint_stats_list.Viol_average_violations_only 0.8410
_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 3 ARG 2.377 0.839 9 1 "[ . +1 . 2]"
1 4 THR 3.622 0.839 9 1 "[ . +1 . 2]"
1 5 ILE 7.171 1.301 9 2 "[ - +1 . 2]"
1 6 PHE 0.754 0.263 19 0 "[ . 1 . 2]"
1 7 CYS 1.674 0.338 8 0 "[ . 1 . 2]"
1 8 THR 20.482 0.872 5 11 "[*-**+* ** **.* 2]"
1 9 TYR 5.147 0.931 16 2 "[ . - 1 .+ 2]"
1 10 LEU 7.246 0.686 4 4 "[** +. 1 .- 2]"
1 11 GLN 7.244 1.301 9 2 "[ - +1 . 2]"
1 12 ARG 2.629 0.478 8 0 "[ . 1 . 2]"
1 13 ASP 36.038 1.956 7 20 [******+-************]
1 14 ALA 1.839 0.399 16 0 "[ . 1 . 2]"
1 15 GLU 37.235 1.956 7 20 [******+**-**********]
1 16 GLY 2.010 0.399 16 0 "[ . 1 . 2]"
1 17 GLN 23.210 1.746 6 13 "[*** *+* -1 * *** **]"
1 18 ASP 9.689 1.236 19 7 "[ * .* 1 * *- *+2]"
1 19 PHE 3.443 0.764 15 3 "[ . 1 +- * 2]"
1 20 GLN 58.240 2.602 3 20 [*-+*****************]
1 21 LEU 6.114 1.236 19 4 "[ - .* 1 * . +2]"
1 22 TYR 12.890 1.251 19 4 "[ * . - . *+2]"
1 23 PRO 0.996 0.178 20 0 "[ . 1 . 2]"
1 24 GLY 6.936 0.728 6 4 "[ *+ - . * 2]"
1 25 GLU 12.302 1.111 18 9 "[** ** *1 -* . *+ 2]"
1 26 LEU 46.683 3.597 14 20 [*************+-*****]
1 27 GLY 0.153 0.109 3 0 "[ . 1 . 2]"
1 28 LYS 34.137 2.337 17 18 "[*-***** ********+* *]"
1 29 ARG 15.673 2.783 12 8 "[** ** 1-+* . * 2]"
1 30 ILE 10.786 0.801 2 4 "[*+ . 1* - . 2]"
1 31 TYR 2.844 0.653 13 3 "[ . - 1* + . 2]"
1 32 ASN 25.087 2.602 3 16 "[ + ****-********* *]"
1 33 GLU 43.685 2.783 12 19 "[*-*********+****** *]"
1 34 ILE 41.350 1.911 17 17 "[*********1*** *-+* *]"
1 35 SER 5.902 0.999 6 3 "[ .+ - *. 2]"
1 36 LYS 25.872 1.746 6 13 "[*** *+* -1 * *** **]"
1 37 ASP 5.043 0.418 2 0 "[ . 1 . 2]"
1 38 ALA 6.792 1.364 2 6 "[ + ** - * . *]"
1 39 TRP 4.598 0.449 11 0 "[ . 1 . 2]"
1 40 ALA 3.297 0.345 20 0 "[ . 1 . 2]"
1 41 GLN 8.602 1.364 2 6 "[ + ** - * . *]"
1 42 TRP 4.765 0.901 15 2 "[ . 1 +- 2]"
1 43 GLN 4.673 0.568 1 1 "[+ . 1 . 2]"
1 44 HIS 4.595 0.568 1 1 "[+ . 1 . 2]"
1 45 LYS 0.662 0.431 11 0 "[ . 1 . 2]"
1 46 GLN 15.463 3.940 20 4 "[ . 1 - .* *+]"
1 47 THR 4.928 0.989 15 5 "[ - . ** +* 2]"
1 48 MET 3.543 0.898 20 3 "[ -.* 1 . +]"
1 49 LEU 0.197 0.105 10 0 "[ . 1 . 2]"
1 50 ILE 4.552 0.707 13 2 "[ . 1 + .- 2]"
1 51 ASN 10.454 0.989 15 8 "[ - . ** * +* * *]"
1 52 GLU 9.583 0.840 10 6 "[ *.* + * .* - 2]"
1 53 LYS 34.412 3.940 20 16 "[ ***.** *** *****-*+]"
1 54 LYS 8.881 0.810 12 6 "[ - * * + . * *]"
1 55 LEU 64.234 1.774 2 19 "[ +******************]"
1 56 ASN 9.864 1.440 17 6 "[ *-** 1 . + *]"
1 57 MET 16.927 1.774 2 9 "[ + ** * ** .- * *]"
1 58 MET 1.456 0.940 5 1 "[ + 1 . 2]"
1 59 ASN 12.829 1.089 18 8 "[ - * * *1 * .* + *]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 1.291 0.617 8 1 "[ . + 1 . 2]"
1 62 HIS 28.525 1.547 3 15 "[ *+** -*1* ********]"
1 63 ARG 0.498 0.403 2 0 "[ . 1 . 2]"
1 64 LYS 0.464 0.326 7 0 "[ . 1 . 2]"
1 65 LEU 24.716 2.648 20 18 "[******** ***-*** **+]"
1 66 LEU 1.328 0.901 15 1 "[ . 1 + 2]"
1 67 GLU 9.849 0.833 19 10 "[ * *** ** -*. *+2]"
1 68 GLN 0.700 0.551 19 1 "[ . 1 . +2]"
1 69 GLU 16.921 1.705 11 12 "[** *** *+**-.* *]"
1 70 MET 9.080 0.780 19 8 "[* *-** * .* +2]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 SER 3.554 0.568 1 3 "[+ * . - 1 . 2]"
1 73 PHE 83.706 5.160 5 20 [****+****-**********]
1 74 LEU 10.637 0.780 19 8 "[* *-** * .* +2]"
1 75 PHE 66.608 3.597 14 20 [********-****+******]
1 76 GLU 16.734 1.202 18 13 "[ * *-** ** * .**+**]"
1 77 GLY 8.172 2.449 13 5 "[* - . *1 + . *2]"
1 78 LYS 44.191 2.921 13 18 "[******-*****+ .*****]"
1 79 ASP 14.985 1.774 11 15 "[****. -***+** . ****]"
1 80 VAL 321.611 9.485 5 20 [****+-**************]
1 81 HIS 92.773 6.844 5 18 "[****+ ** ***-*******]"
1 82 ILE 101.895 5.160 5 20 [****+********-******]
1 83 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 3.043 1.289 12 1 "[ . 1 + . 2]"
1 85 TYR 281.075 8.236 4 20 [***+***************-]
1 86 THR 147.223 9.485 5 20 [****+**************-]
1 87 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLU 0.086 0.086 7 0 "[ . 1 . 2]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ARG HA 1 4 THR HB 4.400 . 6.000 5.324 4.675 5.805 . 0 0 "[ . 1 . 2]" 1
2 1 3 ARG HA 1 3 ARG HB2 2.500 . 3.800 2.469 2.421 2.527 . 0 0 "[ . 1 . 2]" 1
3 1 3 ARG HA 1 3 ARG QG 3.200 . 5.300 2.778 2.363 3.484 . 0 0 "[ . 1 . 2]" 1
4 1 3 ARG HB3 1 3 ARG QD 2.600 . 3.900 2.730 2.262 3.470 . 0 0 "[ . 1 . 2]" 1
5 1 3 ARG HB3 1 3 ARG QG 1.900 . 2.700 2.304 2.167 2.427 . 0 0 "[ . 1 . 2]" 1
6 1 3 ARG HB2 1 3 ARG QG 2.400 . 3.600 2.331 2.153 2.410 . 0 0 "[ . 1 . 2]" 1
7 1 10 LEU QD 1 12 ARG QB 4.700 . 6.000 3.746 2.868 4.835 . 0 0 "[ . 1 . 2]" 1
8 1 12 ARG QB 1 13 ASP HB2 3.800 . 6.000 4.630 3.777 6.067 0.067 8 0 "[ . 1 . 2]" 1
9 1 3 ARG HB2 1 5 ILE MG 3.800 . 6.000 4.655 2.780 6.185 0.185 6 0 "[ . 1 . 2]" 1
10 1 12 ARG QB 1 13 ASP H 2.800 . 4.300 2.193 1.889 3.403 . 0 0 "[ . 1 . 2]" 1
11 1 3 ARG HB2 1 3 ARG HE 4.700 . 6.000 3.311 1.835 4.917 . 0 0 "[ . 1 . 2]" 1
12 1 3 ARG HB2 1 16 GLY H 4.400 . 6.000 4.774 3.894 5.641 . 0 0 "[ . 1 . 2]" 1
13 1 3 ARG HA 1 3 ARG QD 4.200 . 6.000 3.668 1.969 4.541 . 0 0 "[ . 1 . 2]" 1
14 1 3 ARG HB2 1 3 ARG QD 3.300 . 5.500 2.668 2.338 3.275 . 0 0 "[ . 1 . 2]" 1
15 1 3 ARG QD 1 3 ARG QG 2.300 . 3.300 2.036 1.996 2.093 . 0 0 "[ . 1 . 2]" 1
16 1 3 ARG QB 1 3 ARG QG 1.800 . 2.400 2.060 1.989 2.089 . 0 0 "[ . 1 . 2]" 1
17 1 3 ARG HE 1 3 ARG QG 3.300 . 5.400 2.415 2.260 2.832 . 0 0 "[ . 1 . 2]" 1
18 1 4 THR H 1 5 ILE MG 4.900 . 6.000 4.311 4.014 4.453 . 0 0 "[ . 1 . 2]" 1
19 1 3 ARG QG 1 4 THR H 3.500 . 5.900 3.583 2.596 4.432 . 0 0 "[ . 1 . 2]" 1
20 1 3 ARG QB 1 4 THR H 4.300 . 6.000 3.802 2.993 4.008 . 0 0 "[ . 1 . 2]" 1
21 1 3 ARG QD 1 4 THR H 6.000 . 6.000 4.766 2.228 6.015 0.015 18 0 "[ . 1 . 2]" 1
22 1 4 THR H 1 4 THR HB 4.100 . 6.000 3.208 2.511 3.698 . 0 0 "[ . 1 . 2]" 1
23 1 3 ARG HA 1 4 THR H 2.600 . 3.900 2.174 2.114 2.220 . 0 0 "[ . 1 . 2]" 1
24 1 4 THR H 1 16 GLY H 6.000 . 6.000 4.998 4.601 5.430 . 0 0 "[ . 1 . 2]" 1
25 1 3 ARG HE 1 4 THR H 6.000 . 6.000 5.641 2.737 6.839 0.839 9 1 "[ . +1 . 2]" 1
26 1 4 THR HA 1 4 THR HB 3.000 . 4.800 2.747 2.495 3.026 . 0 0 "[ . 1 . 2]" 1
27 1 4 THR HA 1 5 ILE QG 4.100 . 6.000 3.556 3.277 3.944 . 0 0 "[ . 1 . 2]" 1
28 1 4 THR HA 1 14 ALA H 5.100 . 6.000 4.060 3.727 4.543 . 0 0 "[ . 1 . 2]" 1
29 1 4 THR HA 1 16 GLY H 3.300 . 5.500 3.663 2.455 4.555 . 0 0 "[ . 1 . 2]" 1
30 1 4 THR HA 1 5 ILE H 2.700 . 4.100 2.148 2.111 2.257 . 0 0 "[ . 1 . 2]" 1
31 1 4 THR HB 1 5 ILE H 3.400 . 5.700 3.705 2.681 4.346 . 0 0 "[ . 1 . 2]" 1
32 1 4 THR MG 1 13 ASP HA 4.800 . 6.000 4.242 2.856 5.561 . 0 0 "[ . 1 . 2]" 1
33 1 4 THR HA 1 4 THR MG 2.900 . 4.600 2.276 2.166 2.373 . 0 0 "[ . 1 . 2]" 1
34 1 4 THR MG 1 13 ASP HB3 3.200 . 5.200 3.687 2.025 5.683 0.483 3 0 "[ . 1 . 2]" 1
35 1 4 THR MG 1 14 ALA H 4.200 . 6.000 3.803 2.716 4.938 . 0 0 "[ . 1 . 2]" 1
36 1 4 THR MG 1 16 GLY H 4.400 . 6.000 5.010 3.651 6.071 0.071 10 0 "[ . 1 . 2]" 1
37 1 4 THR MG 1 5 ILE H 4.400 . 6.000 3.457 2.745 4.045 . 0 0 "[ . 1 . 2]" 1
38 1 4 THR H 1 4 THR MG 4.100 . 6.000 3.181 2.536 3.826 . 0 0 "[ . 1 . 2]" 1
39 1 5 ILE H 1 5 ILE QG 2.600 . 4.000 1.986 1.778 2.229 0.022 20 0 "[ . 1 . 2]" 1
40 1 5 ILE H 1 5 ILE HB 4.200 . 6.000 3.761 3.677 3.821 . 0 0 "[ . 1 . 2]" 1
41 1 5 ILE H 1 16 GLY HA2 6.000 . 6.000 4.726 3.828 5.433 . 0 0 "[ . 1 . 2]" 1
42 1 5 ILE H 1 7 CYS H 6.000 . 6.000 5.301 4.936 5.613 . 0 0 "[ . 1 . 2]" 1
43 1 5 ILE H 1 6 PHE H 6.000 . 6.000 4.453 4.397 4.534 . 0 0 "[ . 1 . 2]" 1
44 1 5 ILE H 1 14 ALA H 4.000 . 6.000 2.913 2.665 3.171 . 0 0 "[ . 1 . 2]" 1
45 1 4 THR HB 1 5 ILE HA 2.900 . 4.600 4.531 4.187 4.789 0.189 2 0 "[ . 1 . 2]" 1
46 1 5 ILE HA 1 5 ILE MD 3.800 . 6.000 3.741 3.653 4.192 . 0 0 "[ . 1 . 2]" 1
47 1 5 ILE HA 1 5 ILE MG 2.900 . 4.600 2.274 2.236 2.370 . 0 0 "[ . 1 . 2]" 1
48 1 5 ILE HB 1 5 ILE QG 2.300 . 3.400 2.457 2.405 2.492 . 0 0 "[ . 1 . 2]" 1
49 1 5 ILE HB 1 5 ILE MD 2.200 . 3.200 2.127 2.110 2.136 . 0 0 "[ . 1 . 2]" 1
50 1 5 ILE HB 1 5 ILE MG 2.200 . 3.200 2.124 2.117 2.129 . 0 0 "[ . 1 . 2]" 1
51 1 5 ILE HB 1 6 PHE H 2.200 . 3.200 2.347 2.003 2.732 . 0 0 "[ . 1 . 2]" 1
52 1 5 ILE MD 1 34 ILE HA 4.300 . 6.000 3.957 3.293 4.374 . 0 0 "[ . 1 . 2]" 1
53 1 5 ILE MD 1 33 GLU HA 2.900 . 4.600 2.838 1.927 3.645 . 0 0 "[ . 1 . 2]" 1
54 1 5 ILE MD 1 16 GLY HA2 3.900 . 6.000 2.851 2.011 3.537 . 0 0 "[ . 1 . 2]" 1
55 1 5 ILE MD 1 7 CYS QB 3.900 . 6.000 2.733 2.432 3.832 . 0 0 "[ . 1 . 2]" 1
56 1 5 ILE HB 1 5 ILE MD 3.000 . 4.800 2.330 2.278 2.392 . 0 0 "[ . 1 . 2]" 1
57 1 5 ILE MD 1 5 ILE MG 3.000 . 4.900 3.079 2.000 3.225 . 0 0 "[ . 1 . 2]" 1
58 1 5 ILE MD 1 35 SER H 3.900 . 6.000 3.880 2.972 4.358 . 0 0 "[ . 1 . 2]" 1
59 1 5 ILE MD 1 8 THR H 4.600 . 6.000 4.442 4.066 4.892 . 0 0 "[ . 1 . 2]" 1
60 1 5 ILE MD 1 16 GLY H 5.300 . 6.000 4.188 3.597 4.834 . 0 0 "[ . 1 . 2]" 1
61 1 5 ILE H 1 5 ILE MD 4.200 . 6.000 3.035 2.732 3.923 . 0 0 "[ . 1 . 2]" 1
62 1 5 ILE MD 1 36 LYS H 4.400 . 6.000 5.242 4.420 5.892 . 0 0 "[ . 1 . 2]" 1
63 1 5 ILE MD 1 7 CYS H 4.700 . 6.000 2.966 2.623 4.327 . 0 0 "[ . 1 . 2]" 1
64 1 5 ILE QG 1 16 GLY HA3 2.700 . 4.100 2.960 2.135 3.668 . 0 0 "[ . 1 . 2]" 1
65 1 5 ILE MG 1 16 GLY HA3 3.300 . 5.500 3.417 2.457 4.330 . 0 0 "[ . 1 . 2]" 1
66 1 3 ARG QG 1 5 ILE MG 2.400 . 3.500 2.553 1.860 3.789 0.289 18 0 "[ . 1 . 2]" 1
67 1 5 ILE QG 1 5 ILE MG 2.600 . 4.000 2.100 2.065 2.279 . 0 0 "[ . 1 . 2]" 1
68 1 5 ILE MG 1 17 GLN H 4.900 . 6.000 5.372 4.089 6.033 0.033 17 0 "[ . 1 . 2]" 1
69 1 5 ILE MG 1 16 GLY H 4.500 . 6.000 3.900 2.643 4.505 . 0 0 "[ . 1 . 2]" 1
70 1 5 ILE H 1 5 ILE MG 3.900 . 6.000 3.071 2.602 3.308 . 0 0 "[ . 1 . 2]" 1
71 1 5 ILE MG 1 6 PHE H 4.400 . 6.000 3.476 3.250 3.771 . 0 0 "[ . 1 . 2]" 1
72 1 5 ILE QG 1 6 PHE H 4.000 . 6.000 4.125 3.665 4.377 . 0 0 "[ . 1 . 2]" 1
73 1 6 PHE H 1 6 PHE HB3 3.900 . 6.000 3.498 2.514 3.736 . 0 0 "[ . 1 . 2]" 1
74 1 5 ILE HA 1 6 PHE H 2.500 . 3.800 2.439 2.304 2.584 . 0 0 "[ . 1 . 2]" 1
75 1 6 PHE H 1 13 ASP HA 5.200 . 6.000 4.877 4.377 5.337 . 0 0 "[ . 1 . 2]" 1
76 1 6 PHE H 1 6 PHE QE 6.000 . 6.000 4.950 4.521 6.263 0.263 19 0 "[ . 1 . 2]" 1
77 1 6 PHE H 1 6 PHE QD 3.400 . 5.700 3.021 2.330 4.239 . 0 0 "[ . 1 . 2]" 1
78 1 6 PHE H 1 7 CYS H 5.800 . 6.000 4.175 3.963 4.337 . 0 0 "[ . 1 . 2]" 1
79 1 6 PHE HA 1 13 ASP HA 3.000 . 4.800 2.859 2.263 3.373 . 0 0 "[ . 1 . 2]" 1
80 1 6 PHE HA 1 6 PHE HB3 2.500 . 3.700 2.585 2.450 3.033 . 0 0 "[ . 1 . 2]" 1
81 1 6 PHE H 1 6 PHE HA 2.800 . 4.400 2.920 2.874 2.946 . 0 0 "[ . 1 . 2]" 1
82 1 6 PHE HA 1 7 CYS H 2.600 . 3.900 2.147 2.091 2.198 . 0 0 "[ . 1 . 2]" 1
83 1 6 PHE HA 1 6 PHE QD 3.300 . 5.500 2.732 2.502 3.035 . 0 0 "[ . 1 . 2]" 1
84 1 7 CYS H 1 13 ASP HA 4.600 . 6.000 3.885 3.318 4.517 . 0 0 "[ . 1 . 2]" 1
85 1 7 CYS H 1 12 ARG H 4.200 . 6.000 3.452 2.998 3.847 . 0 0 "[ . 1 . 2]" 1
86 1 7 CYS H 1 10 LEU H 6.000 . 6.000 4.883 4.597 5.107 . 0 0 "[ . 1 . 2]" 1
87 1 7 CYS H 1 35 SER H 6.000 . 6.000 5.830 5.257 6.338 0.338 8 0 "[ . 1 . 2]" 1
88 1 7 CYS HA 1 8 THR HG1 3.800 . 6.000 5.224 4.764 5.363 . 0 0 "[ . 1 . 2]" 1
89 1 7 CYS HA 1 35 SER H 5.000 . 6.000 4.491 4.054 5.044 . 0 0 "[ . 1 . 2]" 1
90 1 7 CYS HA 1 10 LEU H 5.500 . 6.000 4.594 4.213 4.971 . 0 0 "[ . 1 . 2]" 1
91 1 7 CYS HA 1 8 THR H 2.500 . 3.700 2.179 2.125 2.249 . 0 0 "[ . 1 . 2]" 1
92 1 7 CYS HA 1 9 TYR H 4.400 . 6.000 4.145 3.922 4.500 . 0 0 "[ . 1 . 2]" 1
93 1 7 CYS H 1 7 CYS HA 2.600 . 3.900 2.844 2.762 2.899 . 0 0 "[ . 1 . 2]" 1
94 1 7 CYS HA 1 12 ARG H 4.000 . 6.000 5.406 5.085 5.771 . 0 0 "[ . 1 . 2]" 1
95 1 7 CYS QB 1 10 LEU QD 3.600 . 5.700 2.692 2.215 3.880 . 0 0 "[ . 1 . 2]" 1
96 1 7 CYS H 1 7 CYS QB 3.400 . 5.500 2.379 2.235 2.758 . 0 0 "[ . 1 . 2]" 1
97 1 7 CYS QB 1 9 TYR QD 5.100 . 6.000 5.292 4.559 6.090 0.090 12 0 "[ . 1 . 2]" 1
98 1 7 CYS QB 1 12 ARG H 5.300 . 5.900 3.525 2.437 4.820 . 0 0 "[ . 1 . 2]" 1
99 1 7 CYS QB 1 35 SER H 3.500 . 5.900 3.109 2.232 3.644 . 0 0 "[ . 1 . 2]" 1
100 1 7 CYS QB 1 10 LEU H 5.300 . 5.900 2.790 2.275 3.146 . 0 0 "[ . 1 . 2]" 1
101 1 7 CYS QB 1 8 THR H 4.900 . 6.000 3.450 2.861 3.775 . 0 0 "[ . 1 . 2]" 1
102 1 7 CYS QB 1 9 TYR H 3.700 . 6.000 3.653 2.660 4.224 . 0 0 "[ . 1 . 2]" 1
103 1 8 THR H 1 8 THR HG1 2.900 . 4.600 3.189 2.772 3.290 . 0 0 "[ . 1 . 2]" 1
104 1 8 THR H 1 34 ILE HB 5.100 . 6.000 6.012 5.634 6.269 0.269 13 0 "[ . 1 . 2]" 1
105 1 8 THR H 1 75 PHE HA 5.100 . 6.000 5.507 4.763 6.381 0.381 18 0 "[ . 1 . 2]" 1
106 1 7 CYS H 1 8 THR H 6.000 . 6.000 4.568 4.499 4.635 . 0 0 "[ . 1 . 2]" 1
107 1 8 THR H 1 9 TYR H 3.300 . 5.500 2.695 2.564 2.882 . 0 0 "[ . 1 . 2]" 1
108 1 8 THR H 1 10 LEU H 6.000 . 6.000 4.187 3.970 4.591 . 0 0 "[ . 1 . 2]" 1
109 1 8 THR H 1 35 SER H 6.000 . 6.000 5.232 4.733 5.611 . 0 0 "[ . 1 . 2]" 1
110 1 8 THR HA 1 11 GLN HA 4.900 . 6.000 3.938 3.092 4.467 . 0 0 "[ . 1 . 2]" 1
111 1 8 THR HA 1 11 GLN HB2 4.000 . 6.000 4.109 2.941 4.550 . 0 0 "[ . 1 . 2]" 1
112 1 8 THR HA 1 11 GLN QG 5.300 . 5.600 4.177 2.951 4.641 . 0 0 "[ . 1 . 2]" 1
113 1 8 THR HA 1 8 THR HG1 2.700 . 4.200 3.967 3.639 4.077 . 0 0 "[ . 1 . 2]" 1
114 1 8 THR HA 1 10 LEU H 5.200 . 6.000 4.493 3.947 4.915 . 0 0 "[ . 1 . 2]" 1
115 1 8 THR H 1 8 THR HA 3.000 . 4.800 2.812 2.772 2.858 . 0 0 "[ . 1 . 2]" 1
116 1 8 THR HA 1 9 TYR H 3.700 . 6.000 3.530 3.454 3.573 . 0 0 "[ . 1 . 2]" 1
117 1 7 CYS H 1 8 THR HA 4.400 . 6.000 5.522 5.348 5.733 . 0 0 "[ . 1 . 2]" 1
118 1 8 THR HA 1 11 GLN QE 2.400 . 3.500 2.443 2.015 3.437 . 0 0 "[ . 1 . 2]" 1
119 1 8 THR HB 1 34 ILE HA 6.000 . 6.000 6.266 4.892 6.872 0.872 5 4 "[ **+- 1 . 2]" 1
120 1 8 THR HB 1 33 GLU QB 5.300 . 6.000 4.317 3.442 4.879 . 0 0 "[ . 1 . 2]" 1
121 1 8 THR H 1 8 THR HB 3.200 . 5.300 3.448 2.634 3.573 . 0 0 "[ . 1 . 2]" 1
122 1 8 THR HB 1 11 GLN QE 5.400 . 6.000 3.889 3.042 4.527 . 0 0 "[ . 1 . 2]" 1
123 1 8 THR HG1 1 34 ILE HA 6.000 . 6.000 4.964 4.581 5.920 . 0 0 "[ . 1 . 2]" 1
124 1 8 THR HG1 1 75 PHE HA 3.300 . 5.400 2.688 1.970 3.649 . 0 0 "[ . 1 . 2]" 1
125 1 8 THR HB 1 8 THR HG1 2.500 . 3.700 2.196 2.109 2.565 . 0 0 "[ . 1 . 2]" 1
126 1 8 THR HG1 1 30 ILE HA 6.000 . 6.000 6.261 5.502 6.801 0.801 2 4 "[*+ . 1* - . 2]" 1
127 1 8 THR HG1 1 33 GLU QB 2.500 . 3.700 3.367 2.155 4.404 0.704 14 2 "[ . - +. 2]" 1
128 1 8 THR HG1 1 33 GLU QG 3.400 . 5.700 4.986 3.043 6.218 0.518 2 1 "[ + . 1 . 2]" 1
129 1 8 THR HG1 1 76 GLU QB 4.900 . 6.000 4.823 3.321 6.857 0.857 16 1 "[ . 1 .+ 2]" 1
130 1 8 THR HG1 1 34 ILE QG 3.500 . 5.500 3.574 3.111 4.524 . 0 0 "[ . 1 . 2]" 1
131 1 8 THR HG1 1 9 TYR H 4.800 . 6.000 3.301 2.679 4.851 . 0 0 "[ . 1 . 2]" 1
132 1 8 THR HG1 1 11 GLN QE 4.600 . 6.000 5.445 4.782 5.965 . 0 0 "[ . 1 . 2]" 1
133 1 9 TYR H 1 10 LEU QD 4.900 . 6.000 4.507 3.467 4.951 . 0 0 "[ . 1 . 2]" 1
134 1 9 TYR H 1 76 GLU QB 4.700 . 6.000 5.527 4.536 6.931 0.931 16 2 "[ . - 1 .+ 2]" 1
135 1 9 TYR H 1 9 TYR HB2 2.900 . 4.600 2.589 2.435 2.768 . 0 0 "[ . 1 . 2]" 1
136 1 9 TYR H 1 9 TYR QD 4.800 . 6.000 4.204 4.166 4.228 . 0 0 "[ . 1 . 2]" 1
137 1 7 CYS H 1 9 TYR H 6.000 . 6.000 5.794 5.415 6.119 0.119 12 0 "[ . 1 . 2]" 1
138 1 9 TYR H 1 10 LEU H 3.400 . 5.700 2.565 2.434 2.678 . 0 0 "[ . 1 . 2]" 1
139 1 9 TYR H 1 35 SER H 6.000 . 6.000 5.194 4.607 5.697 . 0 0 "[ . 1 . 2]" 1
140 1 9 TYR HA 1 9 TYR HB2 2.800 . 4.400 2.465 2.399 2.533 . 0 0 "[ . 1 . 2]" 1
141 1 9 TYR HA 1 76 GLU QB 3.400 . 5.700 4.191 2.982 5.676 . 0 0 "[ . 1 . 2]" 1
142 1 9 TYR HA 1 10 LEU H 3.900 . 6.000 3.515 3.401 3.585 . 0 0 "[ . 1 . 2]" 1
143 1 8 THR H 1 9 TYR HA 5.700 . 6.000 5.286 5.135 5.416 . 0 0 "[ . 1 . 2]" 1
144 1 9 TYR HA 1 9 TYR QD 3.000 . 4.800 2.599 2.359 2.818 . 0 0 "[ . 1 . 2]" 1
145 1 10 LEU H 1 10 LEU QD 4.500 . 6.000 3.081 2.190 3.399 . 0 0 "[ . 1 . 2]" 1
146 1 10 LEU H 1 11 GLN HA 5.300 . 6.000 4.496 4.230 4.668 . 0 0 "[ . 1 . 2]" 1
147 1 9 TYR HB2 1 10 LEU H 3.200 . 5.200 3.995 3.779 4.169 . 0 0 "[ . 1 . 2]" 1
148 1 10 LEU H 1 34 ILE HA 6.000 . 6.000 5.377 4.989 5.797 . 0 0 "[ . 1 . 2]" 1
149 1 9 TYR QD 1 10 LEU H 4.100 . 6.000 3.907 3.311 4.485 . 0 0 "[ . 1 . 2]" 1
150 1 10 LEU H 1 11 GLN H 3.400 . 5.700 2.255 2.006 2.415 . 0 0 "[ . 1 . 2]" 1
151 1 10 LEU HA 1 11 GLN QG 2.800 . 4.400 4.411 4.182 4.731 0.331 17 0 "[ . 1 . 2]" 1
152 1 10 LEU HA 1 10 LEU HB3 2.200 . 3.200 2.475 2.413 2.624 . 0 0 "[ . 1 . 2]" 1
153 1 10 LEU HA 1 10 LEU QD 3.900 . 6.000 2.154 1.967 2.886 . 0 0 "[ . 1 . 2]" 1
154 1 9 TYR H 1 10 LEU HA 4.400 . 6.000 5.191 5.088 5.283 . 0 0 "[ . 1 . 2]" 1
155 1 9 TYR QD 1 10 LEU HA 3.800 . 6.000 3.913 3.453 4.404 . 0 0 "[ . 1 . 2]" 1
156 1 10 LEU HA 1 12 ARG H 4.600 . 6.000 4.411 4.025 4.719 . 0 0 "[ . 1 . 2]" 1
157 1 10 LEU HB3 1 10 LEU QD 3.000 . 4.800 2.127 2.098 2.234 . 0 0 "[ . 1 . 2]" 1
158 1 7 CYS H 1 10 LEU HB3 4.500 . 6.000 5.472 5.034 6.074 0.074 16 0 "[ . 1 . 2]" 1
159 1 9 TYR QD 1 10 LEU HB3 5.200 . 6.000 5.218 4.553 5.663 . 0 0 "[ . 1 . 2]" 1
160 1 21 LEU HA 1 21 LEU HB2 2.900 . 4.600 2.724 2.371 3.025 . 0 0 "[ . 1 . 2]" 1
161 1 55 LEU QB 1 55 LEU QD 2.700 . 4.100 1.919 1.881 1.958 . 0 0 "[ . 1 . 2]" 1
162 1 55 LEU QB 1 62 HIS HD2 3.900 . 6.000 4.223 3.171 5.762 . 0 0 "[ . 1 . 2]" 1
163 1 10 LEU QD 1 34 ILE HA 5.300 . 6.000 4.930 4.162 5.806 . 0 0 "[ . 1 . 2]" 1
164 1 10 LEU QD 1 35 SER QB 2.500 . 3.800 2.685 2.111 3.486 . 0 0 "[ . 1 . 2]" 1
165 1 10 LEU QD 1 35 SER H 4.200 . 6.000 3.820 3.117 4.782 . 0 0 "[ . 1 . 2]" 1
166 1 10 LEU QD 1 39 TRP H 4.900 . 6.000 5.268 4.475 6.171 0.171 16 0 "[ . 1 . 2]" 1
167 1 10 LEU QD 1 41 GLN H 4.300 . 6.000 4.745 3.206 6.581 0.581 4 1 "[ +. 1 . 2]" 1
168 1 9 TYR QD 1 10 LEU QD 3.900 . 6.000 2.355 1.950 2.681 . 0 0 "[ . 1 . 2]" 1
169 1 5 ILE MD 1 11 GLN H 4.000 . 6.000 6.263 5.815 7.301 1.301 9 2 "[ - +1 . 2]" 1
170 1 10 LEU QD 1 11 GLN H 4.900 . 6.000 4.154 3.845 4.292 . 0 0 "[ . 1 . 2]" 1
171 1 10 LEU HB3 1 11 GLN H 3.900 . 6.000 3.889 3.601 4.069 . 0 0 "[ . 1 . 2]" 1
172 1 11 GLN H 1 11 GLN HB2 3.000 . 4.800 2.807 2.524 2.920 . 0 0 "[ . 1 . 2]" 1
173 1 7 CYS QB 1 11 GLN H 5.500 . 6.000 3.403 2.335 4.164 . 0 0 "[ . 1 . 2]" 1
174 1 9 TYR HB2 1 11 GLN H 4.100 . 6.000 5.788 5.468 5.979 . 0 0 "[ . 1 . 2]" 1
175 1 11 GLN H 1 12 ARG H 3.100 . 5.000 2.620 2.477 2.765 . 0 0 "[ . 1 . 2]" 1
176 1 9 TYR QD 1 11 GLN H 2.000 . 6.000 5.677 5.241 6.079 0.079 1 0 "[ . 1 . 2]" 1
177 1 7 CYS H 1 11 GLN H 4.500 . 6.000 4.347 3.915 4.760 . 0 0 "[ . 1 . 2]" 1
178 1 9 TYR H 1 11 GLN H 5.100 . 6.000 3.900 3.503 4.089 . 0 0 "[ . 1 . 2]" 1
179 1 8 THR H 1 11 GLN H 6.000 . 6.000 4.578 4.282 4.722 . 0 0 "[ . 1 . 2]" 1
180 1 11 GLN HA 1 11 GLN HB3 2.800 . 4.300 2.553 2.506 2.592 . 0 0 "[ . 1 . 2]" 1
181 1 11 GLN HA 1 12 ARG QG 5.800 . 6.000 4.702 4.312 6.478 0.478 8 0 "[ . 1 . 2]" 1
182 1 11 GLN H 1 11 GLN HA 2.700 . 4.100 2.263 2.246 2.271 . 0 0 "[ . 1 . 2]" 1
183 1 11 GLN HA 1 11 GLN QE 3.500 . 6.000 2.740 2.227 4.608 . 0 0 "[ . 1 . 2]" 1
184 1 11 GLN HA 1 12 ARG H 3.200 . 5.200 2.944 2.659 3.163 . 0 0 "[ . 1 . 2]" 1
185 1 6 PHE QD 1 11 GLN HA 3.600 . 6.000 4.805 3.780 5.337 . 0 0 "[ . 1 . 2]" 1
186 1 11 GLN QG 1 12 ARG H 5.400 . 6.000 4.698 4.393 4.804 . 0 0 "[ . 1 . 2]" 1
187 1 11 GLN HA 1 11 GLN QG 3.200 . 5.300 2.795 2.271 2.893 . 0 0 "[ . 1 . 2]" 1
188 1 11 GLN H 1 11 GLN QG 2.700 . 4.200 2.966 2.612 3.136 . 0 0 "[ . 1 . 2]" 1
189 1 10 LEU QD 1 12 ARG H 5.000 . 6.000 4.047 3.685 4.257 . 0 0 "[ . 1 . 2]" 1
190 1 11 GLN HB2 1 12 ARG H 3.200 . 5.300 4.059 3.825 4.299 . 0 0 "[ . 1 . 2]" 1
191 1 12 ARG H 1 13 ASP HA 5.500 . 6.000 4.998 4.783 5.197 . 0 0 "[ . 1 . 2]" 1
192 1 9 TYR H 1 12 ARG H 6.000 . 6.000 6.062 5.568 6.259 0.259 5 0 "[ . 1 . 2]" 1
193 1 12 ARG H 1 14 ALA H 5.500 . 6.000 5.636 5.099 6.071 0.071 16 0 "[ . 1 . 2]" 1
194 1 10 LEU H 1 12 ARG H 5.400 . 6.000 4.042 3.786 4.471 . 0 0 "[ . 1 . 2]" 1
195 1 12 ARG HA 1 13 ASP HA 4.800 . 6.000 4.343 4.199 4.429 . 0 0 "[ . 1 . 2]" 1
196 1 12 ARG HA 1 12 ARG HD3 5.000 . 6.000 4.406 2.057 5.530 . 0 0 "[ . 1 . 2]" 1
197 1 11 GLN HA 1 12 ARG HA 3.800 . 6.000 4.415 4.292 4.523 . 0 0 "[ . 1 . 2]" 1
198 1 12 ARG HA 1 13 ASP HB2 4.600 . 6.000 5.280 4.519 5.952 . 0 0 "[ . 1 . 2]" 1
199 1 12 ARG HA 1 12 ARG QB 2.200 . 3.200 2.334 2.167 2.505 . 0 0 "[ . 1 . 2]" 1
200 1 6 PHE QD 1 12 ARG HA 3.000 . 4.700 3.339 2.457 4.366 . 0 0 "[ . 1 . 2]" 1
201 1 7 CYS H 1 12 ARG HA 4.300 . 6.000 5.079 4.674 5.585 . 0 0 "[ . 1 . 2]" 1
202 1 12 ARG QB 1 12 ARG QG 2.100 . 5.300 2.074 1.996 2.089 . 0 0 "[ . 1 . 2]" 1
203 1 12 ARG QB 1 13 ASP HB3 4.400 . 6.000 4.736 3.898 5.606 . 0 0 "[ . 1 . 2]" 1
204 1 12 ARG QB 1 12 ARG HD3 2.800 . 4.400 2.557 2.291 3.293 . 0 0 "[ . 1 . 2]" 1
205 1 12 ARG HD3 1 12 ARG QG 2.200 . 3.200 2.314 2.168 2.395 . 0 0 "[ . 1 . 2]" 1
206 1 10 LEU QD 1 12 ARG HD3 4.900 . 6.000 4.649 3.097 5.835 . 0 0 "[ . 1 . 2]" 1
207 1 12 ARG HD3 1 13 ASP H 5.400 . 6.000 4.721 2.308 5.550 . 0 0 "[ . 1 . 2]" 1
208 1 12 ARG HD3 1 12 ARG HE 3.000 . 4.900 2.775 2.480 2.941 . 0 0 "[ . 1 . 2]" 1
209 1 12 ARG H 1 12 ARG HD3 4.700 . 6.000 5.021 4.267 5.849 . 0 0 "[ . 1 . 2]" 1
210 1 10 LEU HA 1 12 ARG QG 5.200 . 6.000 4.549 3.758 6.021 0.021 8 0 "[ . 1 . 2]" 1
211 1 12 ARG H 1 12 ARG QG 3.900 . 4.800 3.008 2.362 4.133 . 0 0 "[ . 1 . 2]" 1
212 1 13 ASP H 1 13 ASP HB2 2.200 . 3.100 2.956 2.361 3.662 0.562 5 6 "[ * + - * * .* 2]" 1
213 1 13 ASP H 1 13 ASP HB3 3.300 . 5.500 2.984 2.387 3.651 . 0 0 "[ . 1 . 2]" 1
214 1 10 LEU HB2 1 13 ASP H 3.300 . 6.000 5.960 5.666 6.320 0.320 7 0 "[ . 1 . 2]" 1
215 1 12 ARG HA 1 13 ASP H 2.300 . 3.400 2.536 2.338 2.731 . 0 0 "[ . 1 . 2]" 1
216 1 12 ARG H 1 13 ASP H 5.000 . 6.000 4.387 4.336 4.456 . 0 0 "[ . 1 . 2]" 1
217 1 13 ASP H 1 14 ALA H 5.600 . 6.000 4.476 4.314 4.554 . 0 0 "[ . 1 . 2]" 1
218 1 13 ASP HA 1 13 ASP HB3 2.800 . 4.400 2.588 2.409 3.034 . 0 0 "[ . 1 . 2]" 1
219 1 13 ASP HA 1 15 GLU QB 4.100 . 6.000 7.499 7.205 7.956 1.956 7 20 [******+*****-*******] 1
220 1 13 ASP HA 1 14 ALA MB 4.100 . 6.000 3.955 3.883 4.052 . 0 0 "[ . 1 . 2]" 1
221 1 5 ILE QG 1 13 ASP HA 5.400 . 6.000 5.404 4.222 5.888 . 0 0 "[ . 1 . 2]" 1
222 1 13 ASP HA 1 14 ALA H 2.800 . 4.300 2.136 2.091 2.172 . 0 0 "[ . 1 . 2]" 1
223 1 5 ILE H 1 13 ASP HA 4.700 . 6.000 4.362 3.961 4.813 . 0 0 "[ . 1 . 2]" 1
224 1 13 ASP HB3 1 14 ALA H 4.000 . 6.000 3.890 3.208 4.412 . 0 0 "[ . 1 . 2]" 1
225 1 7 CYS H 1 14 ALA H 4.900 . 6.000 3.641 3.176 3.941 . 0 0 "[ . 1 . 2]" 1
226 1 14 ALA H 1 16 GLY H 5.400 . 6.000 5.974 5.498 6.399 0.399 16 0 "[ . 1 . 2]" 1
227 1 13 ASP HA 1 14 ALA HA 5.400 . 6.000 4.399 4.372 4.441 . 0 0 "[ . 1 . 2]" 1
228 1 14 ALA HA 1 35 SER QB 5.600 . 6.000 4.374 4.026 5.219 . 0 0 "[ . 1 . 2]" 1
229 1 13 ASP HB3 1 14 ALA HA 4.400 . 6.000 5.036 4.342 5.849 . 0 0 "[ . 1 . 2]" 1
230 1 14 ALA HA 1 15 GLU QB 5.500 . 6.000 4.285 4.001 4.799 . 0 0 "[ . 1 . 2]" 1
231 1 10 LEU QD 1 14 ALA HA 4.700 . 6.000 4.338 3.697 5.413 . 0 0 "[ . 1 . 2]" 1
232 1 14 ALA HA 1 15 GLU H 2.800 . 4.300 2.557 2.400 2.643 . 0 0 "[ . 1 . 2]" 1
233 1 14 ALA MB 1 35 SER QB 2.300 . 3.300 2.036 1.747 2.984 0.053 18 0 "[ . 1 . 2]" 1
234 1 7 CYS QB 1 14 ALA MB 3.300 . 4.600 2.491 1.931 3.801 . 0 0 "[ . 1 . 2]" 1
235 1 14 ALA MB 1 35 SER H 4.100 . 6.000 4.036 3.672 4.424 . 0 0 "[ . 1 . 2]" 1
236 1 14 ALA MB 1 15 GLU H 2.700 . 4.100 2.151 2.027 2.350 . 0 0 "[ . 1 . 2]" 1
237 1 14 ALA MB 1 38 ALA H 4.900 . 6.000 5.254 4.784 5.983 . 0 0 "[ . 1 . 2]" 1
238 1 7 CYS H 1 14 ALA MB 3.200 . 5.200 3.187 2.429 4.293 . 0 0 "[ . 1 . 2]" 1
239 1 12 ARG H 1 14 ALA MB 2.000 . 6.000 4.455 3.753 4.831 . 0 0 "[ . 1 . 2]" 1
240 1 4 THR MG 1 15 GLU H 3.400 . 5.700 4.943 3.303 5.877 0.177 17 0 "[ . 1 . 2]" 1
241 1 15 GLU H 1 15 GLU QB 2.400 . 3.500 2.454 2.240 2.758 . 0 0 "[ . 1 . 2]" 1
242 1 15 GLU H 1 15 GLU HG3 4.000 . 6.000 3.819 2.044 4.592 . 0 0 "[ . 1 . 2]" 1
243 1 15 GLU H 1 16 GLY HA2 4.300 . 6.000 5.332 5.185 5.508 . 0 0 "[ . 1 . 2]" 1
244 1 15 GLU H 1 16 GLY H 5.200 . 6.000 4.507 4.394 4.591 . 0 0 "[ . 1 . 2]" 1
245 1 14 ALA H 1 15 GLU H 5.200 . 6.000 4.385 4.336 4.432 . 0 0 "[ . 1 . 2]" 1
246 1 15 GLU HA 1 15 GLU HG3 2.400 . 3.500 3.103 2.407 3.788 0.288 19 0 "[ . 1 . 2]" 1
247 1 15 GLU HA 1 15 GLU QB 2.300 . 3.300 2.311 2.174 2.453 . 0 0 "[ . 1 . 2]" 1
248 1 4 THR MG 1 15 GLU HA 3.100 . 5.000 3.833 2.526 4.963 . 0 0 "[ . 1 . 2]" 1
249 1 15 GLU HA 1 16 GLY H 2.600 . 4.000 2.179 2.111 2.282 . 0 0 "[ . 1 . 2]" 1
250 1 15 GLU H 1 15 GLU HA 2.700 . 4.200 2.892 2.767 2.939 . 0 0 "[ . 1 . 2]" 1
251 1 15 GLU QB 1 16 GLY H 3.100 . 5.000 3.350 2.688 3.799 . 0 0 "[ . 1 . 2]" 1
252 1 15 GLU QB 1 15 GLU HG3 2.600 . 3.800 2.345 2.143 2.465 . 0 0 "[ . 1 . 2]" 1
253 1 33 GLU QG 1 34 ILE QG 2.300 . 3.400 4.513 2.416 5.311 1.911 17 17 "[*********1**- **+* *]" 1
254 1 15 GLU HG3 1 16 GLY H 4.200 . 6.000 3.681 2.808 5.337 . 0 0 "[ . 1 . 2]" 1
255 1 5 ILE QG 1 16 GLY H 3.700 . 6.000 3.044 2.634 3.563 . 0 0 "[ . 1 . 2]" 1
256 1 5 ILE H 1 16 GLY H 4.000 . 6.000 3.839 3.189 4.419 . 0 0 "[ . 1 . 2]" 1
257 1 16 GLY H 1 17 GLN H 4.300 . 6.000 4.162 2.717 4.628 . 0 0 "[ . 1 . 2]" 1
258 1 5 ILE MD 1 16 GLY HA3 4.600 . 6.000 4.046 3.160 4.805 . 0 0 "[ . 1 . 2]" 1
259 1 16 GLY HA3 1 17 GLN H 3.600 . 6.000 3.169 2.718 3.533 . 0 0 "[ . 1 . 2]" 1
260 1 5 ILE QG 1 16 GLY HA2 3.200 . 5.200 2.376 1.857 2.904 . 0 0 "[ . 1 . 2]" 1
261 1 16 GLY HA2 1 17 GLN H 3.000 . 4.800 2.393 2.106 3.133 . 0 0 "[ . 1 . 2]" 1
262 1 16 GLY HA2 1 36 LYS H 4.900 . 6.000 5.243 3.692 6.122 0.122 11 0 "[ . 1 . 2]" 1
263 1 5 ILE QG 1 17 GLN H 4.800 . 6.000 4.255 3.411 4.889 . 0 0 "[ . 1 . 2]" 1
264 1 17 GLN H 1 36 LYS QD 3.400 . 5.700 5.484 4.375 6.203 0.503 9 1 "[ . +1 . 2]" 1
265 1 17 GLN H 1 17 GLN QE 6.000 . 6.000 4.875 3.751 5.717 . 0 0 "[ . 1 . 2]" 1
266 1 17 GLN H 1 18 ASP H 6.000 . 6.000 4.031 2.711 4.638 . 0 0 "[ . 1 . 2]" 1
267 1 17 GLN HA 1 17 GLN QG 1.800 . 6.000 2.480 2.209 3.359 . 0 0 "[ . 1 . 2]" 1
268 1 17 GLN HA 1 17 GLN QB 2.100 . 2.900 2.440 2.160 2.539 . 0 0 "[ . 1 . 2]" 1
269 1 17 GLN HA 1 36 LYS QD 2.600 . 4.000 3.632 1.970 4.375 0.375 15 0 "[ . 1 . 2]" 1
270 1 74 LEU HA 1 74 LEU QB 2.600 . 3.900 2.390 2.357 2.461 . 0 0 "[ . 1 . 2]" 1
271 1 17 GLN H 1 17 GLN HA 2.800 . 4.400 2.647 2.239 2.872 . 0 0 "[ . 1 . 2]" 1
272 1 17 GLN HA 1 18 ASP H 2.700 . 4.200 2.881 2.137 3.598 . 0 0 "[ . 1 . 2]" 1
273 1 64 LYS HA 1 67 GLU QB 2.100 . 3.000 2.332 1.975 2.829 . 0 0 "[ . 1 . 2]" 1
274 1 17 GLN QB 1 36 LYS QE 5.300 . 6.000 4.091 2.362 4.815 . 0 0 "[ . 1 . 2]" 1
275 1 17 GLN QB 1 18 ASP H 2.500 . 3.800 2.520 1.615 3.964 0.185 4 0 "[ . 1 . 2]" 1
276 1 67 GLU QB 1 68 GLN H 2.400 . 3.500 2.385 2.127 2.607 . 0 0 "[ . 1 . 2]" 1
277 1 17 GLN QG 1 39 TRP HB3 3.200 . 6.000 3.761 2.620 5.067 . 0 0 "[ . 1 . 2]" 1
278 1 17 GLN QG 1 36 LYS QD 3.500 . 6.000 4.241 1.918 6.593 0.593 15 1 "[ . 1 + 2]" 1
279 1 17 GLN H 1 17 GLN QG 4.400 . 6.000 3.199 2.303 4.066 . 0 0 "[ . 1 . 2]" 1
280 1 17 GLN QG 1 18 ASP H 4.300 . 6.000 3.519 1.678 4.711 0.122 20 0 "[ . 1 . 2]" 1
281 1 17 GLN QE 1 17 GLN QG 2.300 . 5.400 2.446 2.101 2.706 . 0 0 "[ . 1 . 2]" 1
282 1 18 ASP H 1 21 LEU QD 4.400 . 6.000 5.396 3.714 7.236 1.236 19 4 "[ - .* 1 * . +2]" 1
283 1 18 ASP H 1 36 LYS QD 3.500 . 6.000 5.164 3.209 6.439 0.439 3 0 "[ . 1 . 2]" 1
284 1 18 ASP H 1 18 ASP HB2 2.700 . 4.100 2.805 2.211 3.706 . 0 0 "[ . 1 . 2]" 1
285 1 18 ASP H 1 36 LYS QE 4.800 . 6.000 3.630 2.122 4.773 . 0 0 "[ . 1 . 2]" 1
286 1 18 ASP H 1 19 PHE H 2.900 . 4.600 4.108 2.528 4.547 . 0 0 "[ . 1 . 2]" 1
287 1 18 ASP HA 1 19 PHE QB 2.800 . 6.000 4.510 4.067 5.288 . 0 0 "[ . 1 . 2]" 1
288 1 18 ASP HA 1 18 ASP HB3 2.400 . 3.500 2.725 2.387 3.026 . 0 0 "[ . 1 . 2]" 1
289 1 18 ASP H 1 18 ASP HA 2.600 . 4.000 2.879 2.791 2.937 . 0 0 "[ . 1 . 2]" 1
290 1 76 GLU HA 1 77 GLY H 2.500 . 3.800 2.837 2.149 3.573 . 0 0 "[ . 1 . 2]" 1
291 1 76 GLU HA 1 78 LYS H 3.800 . 6.000 4.072 3.257 4.906 . 0 0 "[ . 1 . 2]" 1
292 1 76 GLU H 1 76 GLU HA 2.400 . 3.600 2.255 2.236 2.275 . 0 0 "[ . 1 . 2]" 1
293 1 18 ASP HA 1 19 PHE QD 4.100 . 6.000 4.316 3.662 5.806 . 0 0 "[ . 1 . 2]" 1
294 1 18 ASP HB2 1 19 PHE QD 4.700 . 6.000 5.252 2.443 6.764 0.764 15 3 "[ . 1 +- * 2]" 1
295 1 18 ASP H 1 18 ASP HB3 3.800 . 6.000 3.238 2.580 3.889 . 0 0 "[ . 1 . 2]" 1
296 1 18 ASP HB3 1 19 PHE H 4.400 . 6.000 2.673 1.734 4.450 0.066 14 0 "[ . 1 . 2]" 1
297 1 19 PHE H 1 21 LEU QD 4.000 . 6.000 4.068 3.068 5.617 . 0 0 "[ . 1 . 2]" 1
298 1 17 GLN QB 1 19 PHE H 5.900 . 6.000 5.151 3.555 6.125 0.125 20 0 "[ . 1 . 2]" 1
299 1 18 ASP HB2 1 19 PHE H 3.300 . 5.500 3.392 1.900 4.625 . 0 0 "[ . 1 . 2]" 1
300 1 19 PHE H 1 19 PHE QB 3.000 . 4.800 2.627 2.303 3.362 . 0 0 "[ . 1 . 2]" 1
301 1 18 ASP HA 1 19 PHE H 4.000 . 6.000 2.730 2.071 3.529 . 0 0 "[ . 1 . 2]" 1
302 1 19 PHE H 1 19 PHE HA 3.000 . 4.800 2.881 2.250 2.954 . 0 0 "[ . 1 . 2]" 1
303 1 19 PHE H 1 19 PHE QD 3.600 . 6.000 3.232 2.137 4.472 . 0 0 "[ . 1 . 2]" 1
304 1 18 ASP HB3 1 19 PHE HA 5.000 . 6.000 4.676 4.233 6.161 0.161 5 0 "[ . 1 . 2]" 1
305 1 19 PHE HA 1 20 GLN QB 6.000 . 6.000 4.638 4.223 5.158 . 0 0 "[ . 1 . 2]" 1
306 1 19 PHE HA 1 21 LEU QD 5.500 . 6.000 4.853 3.441 5.527 . 0 0 "[ . 1 . 2]" 1
307 1 19 PHE HA 1 19 PHE QD 3.400 . 5.700 2.853 2.232 3.747 . 0 0 "[ . 1 . 2]" 1
308 1 18 ASP HB3 1 19 PHE QB 6.000 . 6.000 4.596 3.725 5.778 . 0 0 "[ . 1 . 2]" 1
309 1 19 PHE QB 1 21 LEU QD 3.400 . 5.700 3.995 1.920 5.235 . 0 0 "[ . 1 . 2]" 1
310 1 19 PHE QB 1 21 LEU HA 5.700 . 6.000 5.158 4.253 5.735 . 0 0 "[ . 1 . 2]" 1
311 1 18 ASP H 1 19 PHE QB 6.000 . 6.000 5.643 4.408 6.308 0.308 9 0 "[ . 1 . 2]" 1
312 1 19 PHE QB 1 20 GLN H 6.000 . 6.000 2.358 1.681 3.703 0.119 7 0 "[ . 1 . 2]" 1
313 1 20 GLN HA 1 31 TYR QB 3.500 . 6.000 5.736 4.683 6.653 0.653 13 3 "[ . - 1* + . 2]" 1
314 1 20 GLN HA 1 31 TYR QD 3.300 . 5.500 4.139 3.006 5.062 . 0 0 "[ . 1 . 2]" 1
315 1 20 GLN QB 1 22 TYR H 3.300 . 5.400 4.206 3.313 5.583 0.183 2 0 "[ . 1 . 2]" 1
316 1 74 LEU H 1 74 LEU HG 2.600 . 3.900 2.644 2.405 4.080 0.180 20 0 "[ . 1 . 2]" 1
317 1 20 GLN HA 1 20 GLN QB 2.500 . 3.700 2.397 2.328 2.500 . 0 0 "[ . 1 . 2]" 1
318 1 20 GLN QB 1 22 TYR QB 3.200 . 6.000 6.132 5.527 7.072 1.072 2 3 "[ + . 1 . -*2]" 1
319 1 70 MET QG 1 74 LEU QB 4.800 . 6.000 3.426 2.914 4.731 . 0 0 "[ . 1 . 2]" 1
320 1 20 GLN HA 1 20 GLN QG 2.700 . 4.200 2.742 2.286 3.082 . 0 0 "[ . 1 . 2]" 1
321 1 21 LEU H 1 21 LEU QD 3.300 . 5.500 1.948 1.605 2.349 0.195 5 0 "[ . 1 . 2]" 1
322 1 21 LEU H 1 22 TYR QB 5.800 . 6.000 4.562 3.715 5.397 . 0 0 "[ . 1 . 2]" 1
323 1 20 GLN HA 1 21 LEU H 3.000 . 4.800 2.215 2.118 2.887 . 0 0 "[ . 1 . 2]" 1
324 1 20 GLN QE 1 21 LEU H 6.000 . 6.000 4.887 3.192 5.606 . 0 0 "[ . 1 . 2]" 1
325 1 21 LEU H 1 31 TYR QD 5.800 . 6.000 5.272 4.364 6.192 0.192 13 0 "[ . 1 . 2]" 1
326 1 21 LEU H 1 22 TYR H 3.300 . 5.500 2.326 1.805 2.868 . 0 0 "[ . 1 . 2]" 1
327 1 21 LEU HA 1 21 LEU QD 3.300 . 5.400 3.249 3.027 3.388 . 0 0 "[ . 1 . 2]" 1
328 1 21 LEU HB2 1 22 TYR H 4.400 . 6.000 3.349 1.751 4.429 0.049 19 0 "[ . 1 . 2]" 1
329 1 21 LEU H 1 21 LEU HB2 4.100 . 6.000 3.277 2.548 3.931 . 0 0 "[ . 1 . 2]" 1
330 1 21 LEU HB2 1 22 TYR QD 3.700 . 6.000 4.597 2.361 6.269 0.269 12 0 "[ . 1 . 2]" 1
331 1 20 GLN HA 1 21 LEU QD 2.900 . 4.600 3.345 2.745 3.945 . 0 0 "[ . 1 . 2]" 1
332 1 21 LEU QD 1 21 LEU HG 2.100 . 3.000 1.891 1.881 1.895 . 0 0 "[ . 1 . 2]" 1
333 1 21 LEU QD 1 39 TRP HE1 3.700 . 6.000 4.802 3.507 6.430 0.430 16 0 "[ . 1 . 2]" 1
334 1 21 LEU QD 1 22 TYR H 4.900 . 6.000 2.573 1.744 3.299 0.056 17 0 "[ . 1 . 2]" 1
335 1 20 GLN H 1 21 LEU QD 4.000 . 6.000 4.565 2.717 5.231 . 0 0 "[ . 1 . 2]" 1
336 1 21 LEU QD 1 39 TRP HZ2 4.100 . 6.000 4.829 2.992 5.931 . 0 0 "[ . 1 . 2]" 1
337 1 22 TYR H 1 23 PRO QD 2.600 . 4.000 1.856 1.622 2.044 0.178 20 0 "[ . 1 . 2]" 1
338 1 21 LEU HA 1 22 TYR H 2.600 . 4.000 3.403 3.185 3.557 . 0 0 "[ . 1 . 2]" 1
339 1 20 GLN QE 1 22 TYR H 5.700 . 6.000 5.250 4.198 7.251 1.251 19 1 "[ . 1 . +2]" 1
340 1 22 TYR H 1 22 TYR QD 3.400 . 5.700 3.980 2.481 4.573 . 0 0 "[ . 1 . 2]" 1
341 1 81 HIS HA 1 82 ILE QG 5.500 . 6.000 3.479 3.040 3.821 . 0 0 "[ . 1 . 2]" 1
342 1 81 HIS HA 1 82 ILE MD 4.800 . 6.000 4.905 4.101 5.243 . 0 0 "[ . 1 . 2]" 1
343 1 22 TYR HA 1 22 TYR QE 4.700 . 6.000 4.750 4.415 5.675 . 0 0 "[ . 1 . 2]" 1
344 1 23 PRO HA 1 24 GLY HA2 3.600 . 6.000 4.379 4.308 4.540 . 0 0 "[ . 1 . 2]" 1
345 1 23 PRO HA 1 24 GLY HA3 5.100 . 6.000 4.370 4.320 4.470 . 0 0 "[ . 1 . 2]" 1
346 1 23 PRO HA 1 24 GLY H 3.100 . 5.100 2.354 2.162 2.618 . 0 0 "[ . 1 . 2]" 1
347 1 20 GLN QE 1 23 PRO QB 5.400 . 6.000 3.822 2.569 4.766 . 0 0 "[ . 1 . 2]" 1
348 1 23 PRO QB 1 24 GLY H 2.800 . 4.400 2.740 2.251 3.263 . 0 0 "[ . 1 . 2]" 1
349 1 21 LEU QD 1 23 PRO QD 6.000 . 6.000 2.411 1.851 3.262 . 0 0 "[ . 1 . 2]" 1
350 1 23 PRO QD 1 31 TYR QE 5.100 . 6.000 3.316 2.495 4.654 . 0 0 "[ . 1 . 2]" 1
351 1 22 TYR QB 1 23 PRO QD 5.300 . 6.000 2.053 1.775 3.372 0.025 6 0 "[ . 1 . 2]" 1
352 1 65 LEU H 1 65 LEU HG 4.000 . 6.000 4.248 2.366 4.542 . 0 0 "[ . 1 . 2]" 1
353 1 23 PRO QB 1 24 GLY H 3.000 . 4.800 2.712 2.241 3.215 . 0 0 "[ . 1 . 2]" 1
354 1 23 PRO QD 1 24 GLY H 5.300 . 6.000 4.816 4.513 4.999 . 0 0 "[ . 1 . 2]" 1
355 1 22 TYR QB 1 24 GLY H 5.800 . 6.000 6.207 5.651 6.725 0.725 18 2 "[ . - . + 2]" 1
356 1 24 GLY H 1 24 GLY HA2 2.700 . 4.200 2.936 2.904 2.955 . 0 0 "[ . 1 . 2]" 1
357 1 20 GLN QE 1 24 GLY H 5.800 . 6.000 4.363 3.676 5.713 . 0 0 "[ . 1 . 2]" 1
358 1 24 GLY H 1 27 GLY H 5.600 . 6.000 3.140 2.524 3.475 . 0 0 "[ . 1 . 2]" 1
359 1 24 GLY H 1 25 GLU H 4.800 . 6.000 3.510 2.846 4.156 . 0 0 "[ . 1 . 2]" 1
360 1 24 GLY HA3 1 25 GLU HG2 5.300 . 6.000 4.827 3.678 6.728 0.728 6 2 "[ -+ 1 . 2]" 1
361 1 24 GLY HA3 1 25 GLU H 2.400 . 3.600 2.173 2.116 2.311 . 0 0 "[ . 1 . 2]" 1
362 1 24 GLY H 1 24 GLY HA3 3.000 . 4.800 2.413 2.332 2.612 . 0 0 "[ . 1 . 2]" 1
363 1 24 GLY HA2 1 25 GLU QB 6.000 . 6.000 5.179 4.705 5.505 . 0 0 "[ . 1 . 2]" 1
364 1 24 GLY HA2 1 25 GLU H 3.700 . 6.000 3.303 2.965 3.510 . 0 0 "[ . 1 . 2]" 1
365 1 25 GLU H 1 25 GLU QB 3.600 . 6.000 2.425 2.196 2.608 . 0 0 "[ . 1 . 2]" 1
366 1 25 GLU H 1 25 GLU HG2 5.100 . 6.000 2.983 1.915 4.606 . 0 0 "[ . 1 . 2]" 1
367 1 25 GLU H 1 27 GLY H 5.200 . 6.000 4.023 3.676 4.511 . 0 0 "[ . 1 . 2]" 1
368 1 25 GLU H 1 26 LEU H 4.100 . 6.000 2.713 2.541 2.849 . 0 0 "[ . 1 . 2]" 1
369 1 25 GLU HA 1 28 LYS H 2.500 . 3.800 3.596 3.255 4.017 0.217 5 0 "[ . 1 . 2]" 1
370 1 25 GLU HA 1 29 ARG H 2.800 . 6.000 4.108 3.789 4.357 . 0 0 "[ . 1 . 2]" 1
371 1 25 GLU HA 1 27 GLY H 3.200 . 5.300 4.280 3.893 4.639 . 0 0 "[ . 1 . 2]" 1
372 1 25 GLU HB3 1 25 GLU HG2 2.100 . 2.900 2.635 2.209 3.010 0.110 20 0 "[ . 1 . 2]" 1
373 1 25 GLU H 1 25 GLU HB3 3.800 . 6.000 3.031 2.473 3.618 . 0 0 "[ . 1 . 2]" 1
374 1 25 GLU H 1 25 GLU HB2 2.800 . 4.400 2.862 2.218 3.623 . 0 0 "[ . 1 . 2]" 1
375 1 25 GLU HB2 1 26 LEU H 2.400 . 3.600 3.241 2.381 3.950 0.350 17 0 "[ . 1 . 2]" 1
376 1 26 LEU H 1 27 GLY H 4.000 . 6.000 2.583 2.447 2.729 . 0 0 "[ . 1 . 2]" 1
377 1 26 LEU HA 1 29 ARG H 2.700 . 4.200 3.573 3.356 3.806 . 0 0 "[ . 1 . 2]" 1
378 1 26 LEU HA 1 27 GLY H 3.800 . 6.000 3.503 3.449 3.553 . 0 0 "[ . 1 . 2]" 1
379 1 26 LEU HA 1 26 LEU QD 2.800 . 4.400 2.049 1.992 2.094 . 0 0 "[ . 1 . 2]" 1
380 1 26 LEU QD 1 29 ARG HD3 2.700 . 4.100 2.754 1.881 4.073 . 0 0 "[ . 1 . 2]" 1
381 1 26 LEU QD 1 30 ILE H 3.800 . 6.000 4.302 3.899 5.149 . 0 0 "[ . 1 . 2]" 1
382 1 26 LEU QD 1 27 GLY H 4.700 . 6.000 3.992 3.739 4.267 . 0 0 "[ . 1 . 2]" 1
383 1 26 LEU QD 1 29 ARG HE 3.900 . 6.000 4.486 2.818 5.362 . 0 0 "[ . 1 . 2]" 1
384 1 26 LEU HA 1 26 LEU HG 2.700 . 4.200 3.106 2.975 3.182 . 0 0 "[ . 1 . 2]" 1
385 1 26 LEU HG 1 75 PHE QB 4.300 . 6.000 8.246 6.817 9.597 3.597 14 20 [*************+-*****] 1
386 1 29 ARG HE 1 29 ARG HG2 2.600 . 3.900 2.532 2.139 3.842 . 0 0 "[ . 1 . 2]" 1
387 1 23 PRO QD 1 27 GLY H 6.000 . 6.000 5.470 4.936 5.886 . 0 0 "[ . 1 . 2]" 1
388 1 27 GLY H 1 28 LYS H 3.200 . 5.200 2.809 2.579 2.984 . 0 0 "[ . 1 . 2]" 1
389 1 23 PRO QD 1 27 GLY QA 6.000 . 6.000 3.838 3.185 4.665 . 0 0 "[ . 1 . 2]" 1
390 1 23 PRO QB 1 27 GLY QA 5.900 . 6.000 1.933 1.691 2.463 0.109 3 0 "[ . 1 . 2]" 1
391 1 27 GLY QA 1 30 ILE H 4.200 . 6.000 3.530 3.231 3.716 . 0 0 "[ . 1 . 2]" 1
392 1 20 GLN QE 1 27 GLY QA 6.000 . 6.000 3.127 1.846 3.757 . 0 0 "[ . 1 . 2]" 1
393 1 27 GLY QA 1 28 LYS H 3.300 . 5.500 2.583 2.485 2.752 . 0 0 "[ . 1 . 2]" 1
394 1 20 GLN QE 1 28 LYS H 5.200 . 6.000 2.649 2.226 3.473 . 0 0 "[ . 1 . 2]" 1
395 1 28 LYS H 1 29 ARG H 2.700 . 4.100 2.667 2.461 2.896 . 0 0 "[ . 1 . 2]" 1
396 1 24 GLY H 1 28 LYS H 4.700 . 6.000 4.985 4.570 5.768 . 0 0 "[ . 1 . 2]" 1
397 1 26 LEU H 1 28 LYS H 5.400 . 6.000 4.413 3.893 4.794 . 0 0 "[ . 1 . 2]" 1
398 1 28 LYS HA 1 31 TYR QB 2.100 . 3.000 2.369 2.105 2.687 . 0 0 "[ . 1 . 2]" 1
399 1 20 GLN QG 1 28 LYS HA 2.900 . 4.600 4.527 3.136 5.624 1.024 4 4 "[- +.* 1 * . 2]" 1
400 1 28 LYS HA 1 28 LYS HB2 2.100 . 3.000 2.546 2.369 3.021 0.021 13 0 "[ . 1 . 2]" 1
401 1 28 LYS HA 1 28 LYS QG 2.200 . 3.200 2.989 2.354 3.370 0.170 7 0 "[ . 1 . 2]" 1
402 1 27 GLY H 1 28 LYS HA 3.700 . 6.000 5.362 5.200 5.480 . 0 0 "[ . 1 . 2]" 1
403 1 20 GLN QE 1 28 LYS HA 2.000 . 2.800 3.614 2.294 5.137 2.337 17 15 "[ -* *** *******+* *]" 1
404 1 20 GLN QE 1 28 LYS HB3 3.600 . 6.000 3.265 1.669 4.808 0.131 4 0 "[ . 1 . 2]" 1
405 1 25 GLU HA 1 28 LYS QD 2.200 . 3.100 3.228 2.126 4.211 1.111 18 8 "[** * *1 -* . *+ 2]" 1
406 1 20 GLN QE 1 28 LYS QD 4.300 . 6.000 3.681 2.958 4.474 . 0 0 "[ . 1 . 2]" 1
407 1 78 LYS HA 1 78 LYS QG 2.900 . 4.500 3.267 2.314 3.465 . 0 0 "[ . 1 . 2]" 1
408 1 28 LYS QG 1 32 ASN QD 3.300 . 6.000 4.045 2.400 6.300 0.300 6 0 "[ . 1 . 2]" 1
409 1 20 GLN QE 1 28 LYS QG 2.400 . 3.600 3.274 2.239 4.328 0.728 11 2 "[ . 1+ . -]" 1
410 1 29 ARG H 1 30 ILE MD 4.200 . 6.000 5.333 5.075 5.481 . 0 0 "[ . 1 . 2]" 1
411 1 27 GLY QA 1 29 ARG H 3.200 . 5.300 3.968 3.804 4.180 . 0 0 "[ . 1 . 2]" 1
412 1 27 GLY H 1 29 ARG H 4.400 . 6.000 4.026 3.782 4.250 . 0 0 "[ . 1 . 2]" 1
413 1 29 ARG H 1 32 ASN QD 6.000 . 6.000 4.516 3.947 5.979 . 0 0 "[ . 1 . 2]" 1
414 1 29 ARG H 1 30 ILE H 2.800 . 4.400 2.735 2.564 2.926 . 0 0 "[ . 1 . 2]" 1
415 1 26 LEU H 1 29 ARG H 6.000 . 6.000 4.785 4.582 5.047 . 0 0 "[ . 1 . 2]" 1
416 1 44 HIS HA 1 44 HIS HB2 2.400 . 3.500 2.590 2.413 3.021 . 0 0 "[ . 1 . 2]" 1
417 1 29 ARG HA 1 33 GLU QG 2.800 . 6.000 4.470 3.386 5.820 . 0 0 "[ . 1 . 2]" 1
418 1 29 ARG H 1 29 ARG HA 2.100 . 3.000 2.794 2.754 2.829 . 0 0 "[ . 1 . 2]" 1
419 1 29 ARG HA 1 33 GLU H 2.900 . 6.000 5.206 4.616 5.873 . 0 0 "[ . 1 . 2]" 1
420 1 29 ARG HA 1 32 ASN QD 3.000 . 4.800 2.820 1.903 4.609 . 0 0 "[ . 1 . 2]" 1
421 1 29 ARG HB3 1 29 ARG HD3 3.000 . 4.700 2.555 2.312 3.704 . 0 0 "[ . 1 . 2]" 1
422 1 26 LEU QD 1 29 ARG HB3 2.500 . 3.800 3.034 2.572 3.615 . 0 0 "[ . 1 . 2]" 1
423 1 29 ARG HB3 1 30 ILE H 2.300 . 3.400 2.554 2.225 2.968 . 0 0 "[ . 1 . 2]" 1
424 1 29 ARG H 1 29 ARG HB3 2.600 . 4.000 2.579 2.443 2.842 . 0 0 "[ . 1 . 2]" 1
425 1 29 ARG HB3 1 29 ARG HE 4.100 . 6.000 4.017 2.327 4.535 . 0 0 "[ . 1 . 2]" 1
426 1 29 ARG HA 1 29 ARG HD3 4.000 . 6.000 4.652 4.289 4.806 . 0 0 "[ . 1 . 2]" 1
427 1 43 GLN H 1 43 GLN HB3 3.100 . 5.000 3.600 3.550 3.626 . 0 0 "[ . 1 . 2]" 1
428 1 29 ARG HD2 1 29 ARG HG2 2.900 . 4.500 2.902 2.397 3.017 . 0 0 "[ . 1 . 2]" 1
429 1 29 ARG HG2 1 30 ILE MD 2.900 . 6.000 5.221 3.242 6.284 0.284 9 0 "[ . 1 . 2]" 1
430 1 29 ARG HA 1 29 ARG HG2 2.600 . 4.000 3.039 2.539 3.224 . 0 0 "[ . 1 . 2]" 1
431 1 30 ILE H 1 30 ILE MD 3.500 . 6.000 3.566 3.133 3.760 . 0 0 "[ . 1 . 2]" 1
432 1 30 ILE H 1 30 ILE HA 2.800 . 4.400 2.858 2.800 2.922 . 0 0 "[ . 1 . 2]" 1
433 1 29 ARG HA 1 30 ILE H 3.400 . 5.700 3.534 3.466 3.566 . 0 0 "[ . 1 . 2]" 1
434 1 30 ILE HA 1 34 ILE QG 2.900 . 4.600 3.595 2.703 4.073 . 0 0 "[ . 1 . 2]" 1
435 1 30 ILE HA 1 30 ILE MG 2.400 . 3.600 2.385 2.339 2.441 . 0 0 "[ . 1 . 2]" 1
436 1 30 ILE HA 1 30 ILE MD 3.700 . 6.000 3.758 2.084 3.870 . 0 0 "[ . 1 . 2]" 1
437 1 30 ILE MD 1 39 TRP HZ2 4.100 . 6.000 5.482 4.836 6.449 0.449 11 0 "[ . 1 . 2]" 1
438 1 27 GLY H 1 30 ILE MD 1.800 . 6.000 4.848 4.317 5.808 . 0 0 "[ . 1 . 2]" 1
439 1 30 ILE MG 1 34 ILE HA 6.000 . 6.000 4.680 4.470 4.996 . 0 0 "[ . 1 . 2]" 1
440 1 30 ILE MG 1 34 ILE HB 3.200 . 5.300 2.270 2.041 2.562 . 0 0 "[ . 1 . 2]" 1
441 1 30 ILE HB 1 30 ILE MG 2.400 . 3.600 2.129 2.123 2.132 . 0 0 "[ . 1 . 2]" 1
442 1 30 ILE MG 1 34 ILE QG 2.200 . 3.100 2.330 1.964 2.688 . 0 0 "[ . 1 . 2]" 1
443 1 30 ILE MG 1 74 LEU QB 2.300 . 3.400 3.057 2.560 3.701 0.301 9 0 "[ . 1 . 2]" 1
444 1 30 ILE H 1 30 ILE MG 4.300 . 6.000 3.774 3.757 3.798 . 0 0 "[ . 1 . 2]" 1
445 1 30 ILE MG 1 31 TYR H 4.200 . 6.000 3.486 3.309 3.631 . 0 0 "[ . 1 . 2]" 1
446 1 30 ILE MG 1 31 TYR QD 4.200 . 6.000 3.241 2.490 3.708 . 0 0 "[ . 1 . 2]" 1
447 1 30 ILE HA 1 31 TYR H 3.800 . 6.000 3.538 3.507 3.555 . 0 0 "[ . 1 . 2]" 1
448 1 31 TYR H 1 32 ASN HA 6.000 . 6.000 5.267 5.139 5.376 . 0 0 "[ . 1 . 2]" 1
449 1 31 TYR H 1 31 TYR QD 3.700 . 6.000 2.982 2.104 3.313 . 0 0 "[ . 1 . 2]" 1
450 1 30 ILE HA 1 31 TYR HA 3.700 . 6.000 4.771 4.706 4.871 . 0 0 "[ . 1 . 2]" 1
451 1 30 ILE MG 1 31 TYR HA 2.700 . 4.100 3.385 3.185 3.631 . 0 0 "[ . 1 . 2]" 1
452 1 31 TYR H 1 31 TYR HA 2.100 . 3.000 2.817 2.773 2.864 . 0 0 "[ . 1 . 2]" 1
453 1 31 TYR HA 1 31 TYR QD 2.900 . 4.600 2.062 1.899 2.925 . 0 0 "[ . 1 . 2]" 1
454 1 31 TYR HA 1 32 ASN H 2.900 . 4.600 3.459 3.350 3.535 . 0 0 "[ . 1 . 2]" 1
455 1 32 ASN H 1 33 GLU QG 4.800 . 6.000 3.906 3.381 4.581 . 0 0 "[ . 1 . 2]" 1
456 1 20 GLN QE 1 32 ASN H 4.100 . 6.000 7.228 5.814 8.602 2.602 3 16 "[ + ****-********* *]" 1
457 1 32 ASN H 1 32 ASN QD 3.600 . 6.000 2.610 1.768 4.024 0.032 18 0 "[ . 1 . 2]" 1
458 1 31 TYR H 1 32 ASN H 3.400 . 5.700 2.704 2.532 2.844 . 0 0 "[ . 1 . 2]" 1
459 1 32 ASN HA 1 32 ASN HB2 2.800 . 4.300 2.617 2.295 3.017 . 0 0 "[ . 1 . 2]" 1
460 1 32 ASN HA 1 33 GLU QG 3.700 . 6.000 4.701 4.315 5.058 . 0 0 "[ . 1 . 2]" 1
461 1 5 ILE MG 1 32 ASN HA 2.800 . 4.300 3.111 1.989 3.822 . 0 0 "[ . 1 . 2]" 1
462 1 32 ASN H 1 32 ASN HA 2.700 . 4.200 2.903 2.843 2.938 . 0 0 "[ . 1 . 2]" 1
463 1 33 GLU H 1 34 ILE QG 3.500 . 5.900 4.050 3.552 4.550 . 0 0 "[ . 1 . 2]" 1
464 1 33 GLU H 1 33 GLU QG 3.100 . 5.100 2.717 1.970 3.150 . 0 0 "[ . 1 . 2]" 1
465 1 33 GLU H 1 33 GLU QB 3.700 . 6.000 2.643 2.483 3.155 . 0 0 "[ . 1 . 2]" 1
466 1 30 ILE HA 1 33 GLU H 5.500 . 6.000 3.602 3.174 4.164 . 0 0 "[ . 1 . 2]" 1
467 1 32 ASN HA 1 33 GLU H 3.700 . 6.000 3.365 3.244 3.542 . 0 0 "[ . 1 . 2]" 1
468 1 33 GLU H 1 34 ILE HA 6.000 . 6.000 4.680 4.509 4.833 . 0 0 "[ . 1 . 2]" 1
469 1 32 ASN QD 1 33 GLU H 4.200 . 6.000 3.773 2.398 4.770 . 0 0 "[ . 1 . 2]" 1
470 1 31 TYR H 1 33 GLU H 4.700 . 6.000 4.168 3.968 4.399 . 0 0 "[ . 1 . 2]" 1
471 1 32 ASN H 1 33 GLU H 3.100 . 5.000 2.387 2.194 2.662 . 0 0 "[ . 1 . 2]" 1
472 1 8 THR H 1 33 GLU H 6.000 . 6.000 5.628 5.280 5.868 . 0 0 "[ . 1 . 2]" 1
473 1 33 GLU HA 1 33 GLU QG 3.600 . 6.000 2.713 2.346 3.346 . 0 0 "[ . 1 . 2]" 1
474 1 8 THR H 1 33 GLU HA 5.100 . 6.000 3.677 3.327 4.104 . 0 0 "[ . 1 . 2]" 1
475 1 29 ARG HE 1 33 GLU QB 3.300 . 5.500 5.922 4.116 8.283 2.783 12 8 "[** ** 1-+* . * 2]" 1
476 1 34 ILE H 1 34 ILE QG 2.900 . 4.600 3.151 2.859 3.410 . 0 0 "[ . 1 . 2]" 1
477 1 8 THR H 1 34 ILE H 6.000 . 6.000 5.014 4.877 5.189 . 0 0 "[ . 1 . 2]" 1
478 1 34 ILE H 1 35 SER H 6.000 . 6.000 4.336 4.179 4.470 . 0 0 "[ . 1 . 2]" 1
479 1 7 CYS QB 1 34 ILE HA 4.300 . 6.000 3.402 2.256 3.827 . 0 0 "[ . 1 . 2]" 1
480 1 34 ILE HA 1 34 ILE HB 2.900 . 4.600 3.002 2.959 3.022 . 0 0 "[ . 1 . 2]" 1
481 1 34 ILE HA 1 34 ILE QG 3.600 . 6.000 2.726 2.503 2.936 . 0 0 "[ . 1 . 2]" 1
482 1 34 ILE HA 1 34 ILE MG 2.800 . 4.300 2.585 2.426 2.757 . 0 0 "[ . 1 . 2]" 1
483 1 34 ILE HA 1 35 SER H 2.400 . 3.600 2.142 2.083 2.263 . 0 0 "[ . 1 . 2]" 1
484 1 8 THR H 1 34 ILE HA 5.200 . 6.000 3.746 3.365 4.169 . 0 0 "[ . 1 . 2]" 1
485 1 9 TYR H 1 34 ILE HA 5.400 . 6.000 4.194 3.848 4.588 . 0 0 "[ . 1 . 2]" 1
486 1 30 ILE HA 1 34 ILE HB 4.200 . 6.000 4.001 3.411 4.474 . 0 0 "[ . 1 . 2]" 1
487 1 34 ILE HA 1 34 ILE MD 2.600 . 3.900 1.911 1.851 1.996 . 0 0 "[ . 1 . 2]" 1
488 1 34 ILE MD 1 75 PHE HA 4.200 . 6.000 3.959 3.042 4.472 . 0 0 "[ . 1 . 2]" 1
489 1 30 ILE HA 1 34 ILE MD 5.400 . 6.000 5.191 4.354 5.650 . 0 0 "[ . 1 . 2]" 1
490 1 34 ILE MD 1 34 ILE MG 2.400 . 3.500 1.906 1.878 1.970 . 0 0 "[ . 1 . 2]" 1
491 1 34 ILE MD 1 35 SER H 4.600 . 6.000 3.177 2.707 3.490 . 0 0 "[ . 1 . 2]" 1
492 1 10 LEU H 1 34 ILE MD 2.600 . 6.000 4.305 3.823 4.892 . 0 0 "[ . 1 . 2]" 1
493 1 8 THR H 1 34 ILE MD 4.300 . 6.000 3.233 2.630 3.691 . 0 0 "[ . 1 . 2]" 1
494 1 9 TYR H 1 34 ILE MD 4.000 . 6.000 2.713 2.358 3.174 . 0 0 "[ . 1 . 2]" 1
495 1 34 ILE MD 1 75 PHE H 4.900 . 6.000 4.468 3.736 4.832 . 0 0 "[ . 1 . 2]" 1
496 1 9 TYR QD 1 34 ILE MD 3.700 . 6.000 4.068 3.688 4.628 . 0 0 "[ . 1 . 2]" 1
497 1 34 ILE MG 1 37 ASP HA 4.400 . 6.000 6.200 6.012 6.418 0.418 2 0 "[ . 1 . 2]" 1
498 1 30 ILE HA 1 34 ILE MG 5.400 . 6.000 5.206 4.677 5.707 . 0 0 "[ . 1 . 2]" 1
499 1 34 ILE MG 1 39 TRP HB3 4.400 . 6.000 3.451 3.240 3.912 . 0 0 "[ . 1 . 2]" 1
500 1 10 LEU H 1 34 ILE MG 2.500 . 6.000 6.106 5.629 6.686 0.686 4 4 "[** +. 1 .- 2]" 1
501 1 8 THR H 1 34 ILE MG 6.000 . 6.000 5.526 5.125 5.891 . 0 0 "[ . 1 . 2]" 1
502 1 9 TYR H 1 34 ILE MG 5.600 . 6.000 5.139 4.646 5.711 . 0 0 "[ . 1 . 2]" 1
503 1 34 ILE MG 1 39 TRP HE3 2.500 . 3.700 2.286 2.079 2.771 . 0 0 "[ . 1 . 2]" 1
504 1 9 TYR QD 1 34 ILE MG 4.400 . 6.000 5.332 4.703 6.005 0.005 12 0 "[ . 1 . 2]" 1
505 1 34 ILE MG 1 35 SER H 2.900 . 4.500 2.610 2.291 2.929 . 0 0 "[ . 1 . 2]" 1
506 1 15 GLU H 1 35 SER H 5.900 . 6.000 6.122 5.137 6.999 0.999 6 3 "[ .+ - *. 2]" 1
507 1 35 SER H 1 37 ASP H 6.000 . 6.000 4.896 4.654 5.220 . 0 0 "[ . 1 . 2]" 1
508 1 10 LEU H 1 35 SER H 4.100 . 6.000 5.440 4.873 5.867 . 0 0 "[ . 1 . 2]" 1
509 1 34 ILE MG 1 35 SER QB 4.800 . 6.000 3.940 3.618 4.401 . 0 0 "[ . 1 . 2]" 1
510 1 35 SER H 1 35 SER QB 3.300 . 5.500 2.367 2.182 2.737 . 0 0 "[ . 1 . 2]" 1
511 1 35 SER QB 1 37 ASP H 5.300 . 6.000 2.887 2.401 3.211 . 0 0 "[ . 1 . 2]" 1
512 1 35 SER QB 1 36 LYS H 4.500 . 4.600 3.002 1.894 3.465 . 0 0 "[ . 1 . 2]" 1
513 1 10 LEU HG 1 35 SER QB 5.500 . 6.000 4.340 3.513 5.841 . 0 0 "[ . 1 . 2]" 1
514 1 15 GLU QB 1 35 SER QB 5.200 . 6.000 4.479 2.542 5.334 . 0 0 "[ . 1 . 2]" 1
515 1 10 LEU QD 1 36 LYS H 4.400 . 6.000 5.404 4.696 5.902 . 0 0 "[ . 1 . 2]" 1
516 1 36 LYS H 1 36 LYS QE 4.500 . 6.000 4.258 3.758 4.907 . 0 0 "[ . 1 . 2]" 1
517 1 17 GLN QE 1 36 LYS H 4.800 . 6.000 5.434 3.846 6.626 0.626 16 1 "[ . 1 .+ 2]" 1
518 1 17 GLN H 1 36 LYS H 5.700 . 6.000 4.347 3.180 5.615 . 0 0 "[ . 1 . 2]" 1
519 1 35 SER H 1 36 LYS H 6.000 . 6.000 4.526 4.315 4.615 . 0 0 "[ . 1 . 2]" 1
520 1 36 LYS HA 1 39 TRP HB3 2.700 . 4.200 2.516 1.890 3.265 . 0 0 "[ . 1 . 2]" 1
521 1 17 GLN QG 1 36 LYS HA 2.600 . 6.000 2.980 2.104 4.595 . 0 0 "[ . 1 . 2]" 1
522 1 17 GLN H 1 36 LYS HA 4.900 . 6.000 5.579 4.675 6.836 0.836 13 1 "[ . 1 + . 2]" 1
523 1 36 LYS HA 1 37 ASP H 2.900 . 4.600 3.502 3.456 3.561 . 0 0 "[ . 1 . 2]" 1
524 1 36 LYS H 1 36 LYS HA 2.400 . 3.600 2.782 2.744 2.842 . 0 0 "[ . 1 . 2]" 1
525 1 17 GLN QE 1 36 LYS HA 2.400 . 3.500 4.050 1.786 5.246 1.746 6 11 "[*** *+* 1 *** *-]" 1
526 1 36 LYS HB3 1 36 LYS QE 2.600 . 4.000 4.005 3.227 4.274 0.274 10 0 "[ . 1 . 2]" 1
527 1 36 LYS HB3 1 36 LYS QD 2.600 . 3.900 2.456 2.212 3.463 . 0 0 "[ . 1 . 2]" 1
528 1 36 LYS HB3 1 40 ALA MB 2.300 . 6.000 4.169 3.574 5.292 . 0 0 "[ . 1 . 2]" 1
529 1 36 LYS HB3 1 37 ASP H 3.400 . 5.700 3.667 2.920 3.979 . 0 0 "[ . 1 . 2]" 1
530 1 36 LYS H 1 36 LYS HB3 3.300 . 5.400 3.463 2.296 3.602 . 0 0 "[ . 1 . 2]" 1
531 1 36 LYS H 1 36 LYS QD 4.300 . 6.000 3.698 3.274 4.488 . 0 0 "[ . 1 . 2]" 1
532 1 15 GLU HG3 1 36 LYS QE 2.300 . 6.000 4.248 2.652 6.739 0.739 7 1 "[ . + 1 . 2]" 1
533 1 78 LYS QB 1 80 VAL QG 5.400 . 6.000 3.328 2.512 3.864 . 0 0 "[ . 1 . 2]" 1
534 1 18 ASP H 1 36 LYS QG 4.800 . 6.000 4.486 3.152 6.485 0.485 20 0 "[ . 1 . 2]" 1
535 1 10 LEU QD 1 37 ASP H 4.400 . 6.000 4.340 3.476 4.914 . 0 0 "[ . 1 . 2]" 1
536 1 37 ASP H 1 38 ALA MB 4.200 . 6.000 4.439 4.235 4.652 . 0 0 "[ . 1 . 2]" 1
537 1 37 ASP H 1 37 ASP HB3 4.100 . 6.000 3.025 2.457 3.606 . 0 0 "[ . 1 . 2]" 1
538 1 37 ASP H 1 39 TRP HB3 4.800 . 6.000 4.951 4.681 5.404 . 0 0 "[ . 1 . 2]" 1
539 1 37 ASP H 1 41 GLN H 6.000 . 6.000 5.646 5.074 5.896 . 0 0 "[ . 1 . 2]" 1
540 1 36 LYS H 1 37 ASP H 3.500 . 5.900 2.708 2.567 2.838 . 0 0 "[ . 1 . 2]" 1
541 1 37 ASP HA 1 37 ASP HB3 2.600 . 4.000 2.692 2.368 3.031 . 0 0 "[ . 1 . 2]" 1
542 1 37 ASP HA 1 40 ALA MB 2.800 . 4.400 3.067 2.454 3.475 . 0 0 "[ . 1 . 2]" 1
543 1 10 LEU QD 1 37 ASP HA 4.200 . 6.000 5.140 4.268 6.016 0.016 5 0 "[ . 1 . 2]" 1
544 1 37 ASP H 1 37 ASP HA 3.000 . 4.800 2.809 2.756 2.855 . 0 0 "[ . 1 . 2]" 1
545 1 10 LEU QD 1 38 ALA H 3.300 . 5.500 3.408 2.702 4.179 . 0 0 "[ . 1 . 2]" 1
546 1 34 ILE MG 1 38 ALA H 4.600 . 6.000 3.769 3.560 4.042 . 0 0 "[ . 1 . 2]" 1
547 1 38 ALA H 1 38 ALA MB 2.800 . 4.400 2.235 2.215 2.257 . 0 0 "[ . 1 . 2]" 1
548 1 38 ALA H 1 39 TRP HB3 4.800 . 6.000 4.816 4.703 5.054 . 0 0 "[ . 1 . 2]" 1
549 1 37 ASP HA 1 38 ALA H 3.300 . 5.400 3.553 3.529 3.568 . 0 0 "[ . 1 . 2]" 1
550 1 34 ILE HA 1 38 ALA H 6.000 . 6.000 5.538 5.239 5.795 . 0 0 "[ . 1 . 2]" 1
551 1 9 TYR QD 1 38 ALA H 4.900 . 6.000 5.103 4.215 6.279 0.279 12 0 "[ . 1 . 2]" 1
552 1 38 ALA H 1 41 GLN H 4.700 . 6.000 4.469 3.825 4.749 . 0 0 "[ . 1 . 2]" 1
553 1 38 ALA H 1 39 TRP H 3.100 . 5.000 2.616 2.434 2.818 . 0 0 "[ . 1 . 2]" 1
554 1 37 ASP H 1 38 ALA H 3.000 . 4.800 2.785 2.544 2.949 . 0 0 "[ . 1 . 2]" 1
555 1 35 SER H 1 38 ALA H 6.000 . 6.000 3.802 3.603 4.095 . 0 0 "[ . 1 . 2]" 1
556 1 38 ALA HA 1 41 GLN QB 3.000 . 4.800 2.553 2.195 3.185 . 0 0 "[ . 1 . 2]" 1
557 1 34 ILE MG 1 38 ALA HA 4.200 . 6.000 4.428 4.215 4.672 . 0 0 "[ . 1 . 2]" 1
558 1 10 LEU QD 1 38 ALA HA 4.200 . 6.000 4.014 3.364 4.798 . 0 0 "[ . 1 . 2]" 1
559 1 35 SER H 1 38 ALA HA 4.200 . 6.000 5.680 5.187 6.051 0.051 7 0 "[ . 1 . 2]" 1
560 1 38 ALA HA 1 39 TRP H 3.700 . 6.000 3.524 3.497 3.553 . 0 0 "[ . 1 . 2]" 1
561 1 38 ALA HA 1 41 GLN H 4.100 . 6.000 3.190 2.284 3.746 . 0 0 "[ . 1 . 2]" 1
562 1 38 ALA HA 1 41 GLN QE 2.900 . 4.600 4.300 2.324 5.964 1.364 2 6 "[ + ** - * . *]" 1
563 1 9 TYR QD 1 38 ALA HA 3.600 . 6.000 4.020 2.975 4.797 . 0 0 "[ . 1 . 2]" 1
564 1 34 ILE HA 1 38 ALA MB 4.400 . 6.000 3.546 3.312 3.803 . 0 0 "[ . 1 . 2]" 1
565 1 35 SER QB 1 38 ALA MB 3.300 . 5.500 3.354 2.372 4.287 . 0 0 "[ . 1 . 2]" 1
566 1 38 ALA MB 1 39 TRP HB3 5.300 . 6.000 4.713 4.594 4.858 . 0 0 "[ . 1 . 2]" 1
567 1 10 LEU QD 1 38 ALA MB 3.500 . 5.900 2.779 1.971 3.571 . 0 0 "[ . 1 . 2]" 1
568 1 34 ILE MG 1 38 ALA MB 2.900 . 4.600 2.002 1.850 2.251 . 0 0 "[ . 1 . 2]" 1
569 1 35 SER H 1 38 ALA MB 3.400 . 5.700 2.800 2.267 3.227 . 0 0 "[ . 1 . 2]" 1
570 1 10 LEU H 1 38 ALA MB 2.100 . 6.000 4.431 3.795 5.202 . 0 0 "[ . 1 . 2]" 1
571 1 8 THR H 1 38 ALA MB 2.200 . 6.000 5.669 5.233 6.037 0.037 4 0 "[ . 1 . 2]" 1
572 1 9 TYR H 1 38 ALA MB 4.300 . 6.000 4.348 3.859 4.987 . 0 0 "[ . 1 . 2]" 1
573 1 38 ALA MB 1 41 GLN H 5.100 . 6.000 4.171 3.175 4.742 . 0 0 "[ . 1 . 2]" 1
574 1 9 TYR QD 1 38 ALA MB 3.000 . 4.700 2.642 2.119 3.448 . 0 0 "[ . 1 . 2]" 1
575 1 34 ILE MG 1 39 TRP H 3.400 . 5.700 2.641 2.522 2.872 . 0 0 "[ . 1 . 2]" 1
576 1 38 ALA MB 1 39 TRP H 3.100 . 5.000 2.587 2.482 2.696 . 0 0 "[ . 1 . 2]" 1
577 1 39 TRP H 1 41 GLN QB 3.300 . 5.400 4.870 4.491 5.202 . 0 0 "[ . 1 . 2]" 1
578 1 39 TRP H 1 39 TRP HB3 3.000 . 4.800 2.524 2.458 2.597 . 0 0 "[ . 1 . 2]" 1
579 1 34 ILE HA 1 39 TRP H 6.000 . 6.000 5.404 5.215 5.692 . 0 0 "[ . 1 . 2]" 1
580 1 39 TRP H 1 41 GLN H 3.600 . 6.000 4.049 3.843 4.218 . 0 0 "[ . 1 . 2]" 1
581 1 35 SER H 1 39 TRP H 6.000 . 6.000 4.264 3.865 4.577 . 0 0 "[ . 1 . 2]" 1
582 1 39 TRP H 1 74 LEU QD 3.800 . 6.000 3.979 3.609 4.642 . 0 0 "[ . 1 . 2]" 1
583 1 37 ASP HA 1 39 TRP H 5.100 . 6.000 4.541 4.407 4.707 . 0 0 "[ . 1 . 2]" 1
584 1 39 TRP H 1 39 TRP HD1 3.800 . 6.000 5.004 4.923 5.100 . 0 0 "[ . 1 . 2]" 1
585 1 52 GLU HA 1 54 LYS H 3.800 . 6.000 4.143 3.828 4.484 . 0 0 "[ . 1 . 2]" 1
586 1 30 ILE MG 1 39 TRP HB3 5.900 . 6.000 5.856 5.175 6.328 0.328 15 0 "[ . 1 . 2]" 1
587 1 40 ALA H 1 40 ALA MB 2.700 . 4.200 2.240 2.227 2.256 . 0 0 "[ . 1 . 2]" 1
588 1 39 TRP HB3 1 40 ALA H 2.600 . 4.000 2.445 2.293 2.591 . 0 0 "[ . 1 . 2]" 1
589 1 40 ALA H 1 41 GLN H 2.900 . 4.600 2.637 2.534 2.770 . 0 0 "[ . 1 . 2]" 1
590 1 39 TRP H 1 40 ALA H 3.800 . 6.000 2.729 2.603 2.819 . 0 0 "[ . 1 . 2]" 1
591 1 39 TRP HE1 1 40 ALA H 6.000 . 6.000 6.093 5.810 6.345 0.345 20 0 "[ . 1 . 2]" 1
592 1 37 ASP HA 1 40 ALA HA 4.900 . 6.000 5.868 5.249 6.302 0.302 7 0 "[ . 1 . 2]" 1
593 1 40 ALA HA 1 41 GLN QB 6.000 . 6.000 4.841 4.708 4.998 . 0 0 "[ . 1 . 2]" 1
594 1 40 ALA HA 1 43 GLN QG 4.100 . 6.000 3.707 2.789 4.374 . 0 0 "[ . 1 . 2]" 1
595 1 40 ALA HA 1 43 GLN HB2 2.700 . 4.100 2.936 2.431 3.430 . 0 0 "[ . 1 . 2]" 1
596 1 40 ALA HA 1 41 GLN H 3.500 . 6.000 3.533 3.495 3.560 . 0 0 "[ . 1 . 2]" 1
597 1 39 TRP HB3 1 40 ALA MB 5.000 . 6.000 3.825 3.706 3.992 . 0 0 "[ . 1 . 2]" 1
598 1 40 ALA MB 1 41 GLN QB 5.100 . 6.000 3.385 3.076 3.887 . 0 0 "[ . 1 . 2]" 1
599 1 40 ALA MB 1 43 GLN QG 3.800 . 6.000 4.956 4.257 5.480 . 0 0 "[ . 1 . 2]" 1
600 1 34 ILE MG 1 40 ALA MB 6.000 . 6.000 5.725 5.588 6.052 0.052 3 0 "[ . 1 . 2]" 1
601 1 37 ASP H 1 40 ALA MB 2.200 . 6.000 4.809 4.518 5.052 . 0 0 "[ . 1 . 2]" 1
602 1 39 TRP H 1 40 ALA MB 5.300 . 6.000 4.401 4.261 4.478 . 0 0 "[ . 1 . 2]" 1
603 1 40 ALA MB 1 41 GLN H 3.500 . 5.900 2.534 2.384 2.707 . 0 0 "[ . 1 . 2]" 1
604 1 41 GLN H 1 41 GLN QB 2.700 . 4.200 2.360 2.204 2.578 . 0 0 "[ . 1 . 2]" 1
605 1 39 TRP HB3 1 41 GLN H 5.400 . 6.000 4.902 4.666 5.115 . 0 0 "[ . 1 . 2]" 1
606 1 38 ALA HA 1 41 GLN H 4.100 . 6.000 3.493 3.229 3.947 . 0 0 "[ . 1 . 2]" 1
607 1 37 ASP HA 1 41 GLN H 4.400 . 6.000 4.103 3.891 4.421 . 0 0 "[ . 1 . 2]" 1
608 1 39 TRP H 1 41 GLN H 5.900 . 6.000 4.092 3.863 4.234 . 0 0 "[ . 1 . 2]" 1
609 1 41 GLN H 1 41 GLN HA 2.900 . 4.500 2.592 1.597 2.803 0.203 10 0 "[ . 1 . 2]" 1
610 1 41 GLN H 1 41 GLN QB 3.300 . 5.400 2.077 1.642 2.478 0.158 9 0 "[ . 1 . 2]" 1
611 1 38 ALA HA 1 41 GLN QG 5.500 . 6.000 3.518 2.581 4.373 . 0 0 "[ . 1 . 2]" 1
612 1 41 GLN QB 1 42 TRP H 2.600 . 4.000 2.491 2.307 2.709 . 0 0 "[ . 1 . 2]" 1
613 1 42 TRP H 1 42 TRP HB2 2.800 . 4.400 2.650 2.481 2.800 . 0 0 "[ . 1 . 2]" 1
614 1 41 GLN H 1 42 TRP H 3.300 . 5.500 2.759 2.649 2.928 . 0 0 "[ . 1 . 2]" 1
615 1 39 TRP H 1 42 TRP H 6.000 . 6.000 4.781 4.679 4.945 . 0 0 "[ . 1 . 2]" 1
616 1 42 TRP H 1 42 TRP HD1 4.000 . 6.000 5.030 4.880 5.202 . 0 0 "[ . 1 . 2]" 1
617 1 42 TRP HA 1 45 LYS QB 2.700 . 4.100 2.700 2.320 3.164 . 0 0 "[ . 1 . 2]" 1
618 1 41 GLN H 1 42 TRP HA 4.500 . 6.000 5.327 5.237 5.451 . 0 0 "[ . 1 . 2]" 1
619 1 42 TRP H 1 42 TRP HB3 3.500 . 5.900 2.492 2.390 2.661 . 0 0 "[ . 1 . 2]" 1
620 1 43 GLN H 1 43 GLN QG 3.200 . 5.200 2.375 2.096 2.787 . 0 0 "[ . 1 . 2]" 1
621 1 42 TRP HA 1 43 GLN H 3.200 . 5.300 3.564 3.546 3.592 . 0 0 "[ . 1 . 2]" 1
622 1 42 TRP H 1 43 GLN H 2.400 . 3.500 2.716 2.522 2.894 . 0 0 "[ . 1 . 2]" 1
623 1 43 GLN HA 1 44 HIS HB2 5.500 . 6.000 5.768 5.615 5.934 . 0 0 "[ . 1 . 2]" 1
624 1 43 GLN HA 1 46 GLN HB3 3.400 . 5.800 2.675 2.115 3.158 . 0 0 "[ . 1 . 2]" 1
625 1 43 GLN HA 1 46 GLN HB2 3.200 . 5.200 3.566 2.647 4.191 . 0 0 "[ . 1 . 2]" 1
626 1 42 TRP HE1 1 43 GLN HA 5.400 . 6.000 5.336 4.473 6.040 0.040 15 0 "[ . 1 . 2]" 1
627 1 42 TRP H 1 43 GLN HA 6.000 . 6.000 5.294 5.129 5.417 . 0 0 "[ . 1 . 2]" 1
628 1 43 GLN HA 1 47 THR H 4.200 . 6.000 3.798 3.326 4.176 . 0 0 "[ . 1 . 2]" 1
629 1 43 GLN HA 1 43 GLN QE 5.500 . 6.000 4.090 2.400 4.810 . 0 0 "[ . 1 . 2]" 1
630 1 65 LEU HA 1 65 LEU HG 2.000 . 2.800 3.300 2.402 3.717 0.917 8 8 "[** -. + 1 * ** *]" 1
631 1 65 LEU QD 1 65 LEU HG 2.200 . 3.200 1.893 1.890 1.897 . 0 0 "[ . 1 . 2]" 1
632 1 43 GLN HB2 1 44 HIS H 4.100 . 6.000 2.719 2.517 3.014 . 0 0 "[ . 1 . 2]" 1
633 1 43 GLN H 1 43 GLN HB2 2.900 . 4.600 2.453 2.266 2.590 . 0 0 "[ . 1 . 2]" 1
634 1 43 GLN HA 1 43 GLN QG 3.400 . 5.700 2.430 2.176 2.913 . 0 0 "[ . 1 . 2]" 1
635 1 43 GLN HB2 1 43 GLN QG 2.100 . 3.000 2.250 2.161 2.343 . 0 0 "[ . 1 . 2]" 1
636 1 39 TRP HE1 1 43 GLN QG 5.500 . 6.000 3.773 2.920 4.624 . 0 0 "[ . 1 . 2]" 1
637 1 43 GLN QG 1 44 HIS H 3.700 . 6.000 4.140 3.920 4.294 . 0 0 "[ . 1 . 2]" 1
638 1 43 GLN QG 1 44 HIS HB2 5.400 . 6.000 6.007 5.679 6.401 0.401 1 0 "[ . 1 . 2]" 1
639 1 43 GLN HB3 1 43 GLN QG 2.000 . 6.000 2.397 2.336 2.506 . 0 0 "[ . 1 . 2]" 1
640 1 43 GLN QG 1 46 GLN HB3 5.500 . 6.000 4.586 3.958 5.252 . 0 0 "[ . 1 . 2]" 1
641 1 44 HIS H 1 45 LYS QB 4.500 . 6.000 4.376 4.263 4.520 . 0 0 "[ . 1 . 2]" 1
642 1 44 HIS H 1 45 LYS HA 5.600 . 6.000 5.280 5.169 5.385 . 0 0 "[ . 1 . 2]" 1
643 1 42 TRP H 1 44 HIS H 4.500 . 6.000 4.115 3.978 4.352 . 0 0 "[ . 1 . 2]" 1
644 1 43 GLN QE 1 44 HIS H 6.000 . 6.000 5.764 4.392 6.568 0.568 1 1 "[+ . 1 . 2]" 1
645 1 44 HIS H 1 44 HIS HB2 2.600 . 4.000 2.415 2.282 2.654 . 0 0 "[ . 1 . 2]" 1
646 1 45 LYS H 1 46 GLN HB2 5.800 . 6.000 5.005 4.670 5.172 . 0 0 "[ . 1 . 2]" 1
647 1 45 LYS H 1 45 LYS QB 2.700 . 4.100 2.208 2.036 2.249 . 0 0 "[ . 1 . 2]" 1
648 1 44 HIS HA 1 45 LYS H 4.000 . 6.000 3.539 3.514 3.567 . 0 0 "[ . 1 . 2]" 1
649 1 42 TRP H 1 45 LYS H 6.000 . 6.000 4.742 4.586 4.956 . 0 0 "[ . 1 . 2]" 1
650 1 45 LYS HA 1 46 GLN HA 3.800 . 6.000 4.780 4.712 4.888 . 0 0 "[ . 1 . 2]" 1
651 1 45 LYS HA 1 48 MET QB 3.400 . 5.700 2.794 2.379 3.049 . 0 0 "[ . 1 . 2]" 1
652 1 45 LYS HA 1 45 LYS QB 2.600 . 4.000 2.376 2.288 2.521 . 0 0 "[ . 1 . 2]" 1
653 1 45 LYS H 1 45 LYS HA 2.900 . 4.600 2.822 2.789 2.861 . 0 0 "[ . 1 . 2]" 1
654 1 41 GLN HA 1 45 LYS HB3 4.500 . 6.000 5.702 5.170 6.431 0.431 11 0 "[ . 1 . 2]" 1
655 1 45 LYS HA 1 45 LYS HB3 2.900 . 4.600 3.015 2.940 3.026 . 0 0 "[ . 1 . 2]" 1
656 1 45 LYS HB3 1 46 GLN HB2 3.800 . 6.000 4.152 3.890 4.439 . 0 0 "[ . 1 . 2]" 1
657 1 45 LYS H 1 45 LYS HB3 3.200 . 5.200 2.551 2.349 3.030 . 0 0 "[ . 1 . 2]" 1
658 1 45 LYS HA 1 45 LYS QD 2.800 . 4.300 2.295 2.008 3.049 . 0 0 "[ . 1 . 2]" 1
659 1 45 LYS QD 1 45 LYS HE2 2.200 . 3.200 2.301 2.170 2.414 . 0 0 "[ . 1 . 2]" 1
660 1 45 LYS H 1 45 LYS QD 4.700 . 6.000 4.366 4.019 4.645 . 0 0 "[ . 1 . 2]" 1
661 1 45 LYS HA 1 45 LYS HG3 4.000 . 6.000 3.276 3.025 3.693 . 0 0 "[ . 1 . 2]" 1
662 1 45 LYS HE2 1 45 LYS HG3 2.900 . 4.600 3.436 2.407 4.247 . 0 0 "[ . 1 . 2]" 1
663 1 45 LYS H 1 45 LYS HG3 4.500 . 6.000 4.439 4.297 4.576 . 0 0 "[ . 1 . 2]" 1
664 1 45 LYS HA 1 45 LYS HG2 2.900 . 4.500 3.446 2.262 3.898 . 0 0 "[ . 1 . 2]" 1
665 1 45 LYS QD 1 45 LYS HG2 2.600 . 4.000 2.355 2.161 2.467 . 0 0 "[ . 1 . 2]" 1
666 1 45 LYS H 1 45 LYS HG2 4.100 . 6.000 4.488 3.935 4.605 . 0 0 "[ . 1 . 2]" 1
667 1 46 GLN H 1 46 GLN HA 3.000 . 4.800 2.804 2.771 2.826 . 0 0 "[ . 1 . 2]" 1
668 1 45 LYS HA 1 46 GLN H 3.700 . 6.000 3.546 3.503 3.566 . 0 0 "[ . 1 . 2]" 1
669 1 46 GLN H 1 47 THR H 3.600 . 6.000 2.723 2.605 2.863 . 0 0 "[ . 1 . 2]" 1
670 1 42 TRP HE1 1 46 GLN H 5.500 . 6.000 6.107 5.650 6.790 0.790 16 1 "[ . 1 .+ 2]" 1
671 1 46 GLN HA 1 46 GLN HB3 2.900 . 4.600 3.021 3.005 3.027 . 0 0 "[ . 1 . 2]" 1
672 1 46 GLN HA 1 47 THR H 4.400 . 6.000 3.548 3.519 3.574 . 0 0 "[ . 1 . 2]" 1
673 1 46 GLN HA 1 46 GLN QE 4.200 . 6.000 3.487 2.382 4.632 . 0 0 "[ . 1 . 2]" 1
674 1 46 GLN H 1 46 GLN HB2 3.300 . 5.400 2.481 2.351 2.563 . 0 0 "[ . 1 . 2]" 1
675 1 46 GLN HB2 1 47 THR H 3.300 . 5.400 3.853 3.622 3.994 . 0 0 "[ . 1 . 2]" 1
676 1 46 GLN HB2 1 46 GLN QE 4.300 . 6.000 3.688 1.852 4.163 . 0 0 "[ . 1 . 2]" 1
677 1 46 GLN H 1 46 GLN HB3 3.100 . 5.100 2.570 2.431 2.772 . 0 0 "[ . 1 . 2]" 1
678 1 46 GLN HB3 1 47 THR H 4.500 . 6.000 2.586 2.223 2.821 . 0 0 "[ . 1 . 2]" 1
679 1 46 GLN HB3 1 46 GLN QE 3.900 . 6.000 4.015 2.806 4.324 . 0 0 "[ . 1 . 2]" 1
680 1 46 GLN QG 1 47 THR H 4.300 . 6.000 3.672 3.302 3.889 . 0 0 "[ . 1 . 2]" 1
681 1 46 GLN QE 1 46 GLN QG 2.900 . 4.600 2.177 2.107 2.675 . 0 0 "[ . 1 . 2]" 1
682 1 47 THR H 1 48 MET QB 6.000 . 6.000 4.396 4.270 4.533 . 0 0 "[ . 1 . 2]" 1
683 1 47 THR HA 1 47 THR MG 2.500 . 3.700 2.382 2.336 2.435 . 0 0 "[ . 1 . 2]" 1
684 1 47 THR HA 1 50 ILE MD 2.300 . 3.400 2.315 1.944 3.996 0.596 16 1 "[ . 1 .+ 2]" 1
685 1 47 THR HA 1 50 ILE HA 5.600 . 6.000 5.312 4.986 5.710 . 0 0 "[ . 1 . 2]" 1
686 1 47 THR H 1 47 THR HA 2.700 . 4.100 2.800 2.764 2.836 . 0 0 "[ . 1 . 2]" 1
687 1 47 THR HA 1 51 ASN QD 5.200 . 6.000 5.038 3.210 6.989 0.989 15 4 "[ - . ** + 2]" 1
688 1 47 THR HA 1 48 MET H 2.800 . 4.400 3.538 3.518 3.561 . 0 0 "[ . 1 . 2]" 1
689 1 47 THR HB 1 48 MET QB 4.100 . 6.000 4.086 3.872 4.294 . 0 0 "[ . 1 . 2]" 1
690 1 47 THR H 1 47 THR HB 3.000 . 4.800 2.602 2.553 2.649 . 0 0 "[ . 1 . 2]" 1
691 1 47 THR HB 1 48 MET H 3.100 . 5.000 2.614 2.428 2.802 . 0 0 "[ . 1 . 2]" 1
692 1 47 THR MG 1 49 LEU H 4.300 . 6.000 5.112 4.770 5.226 . 0 0 "[ . 1 . 2]" 1
693 1 47 THR MG 1 51 ASN QD 4.200 . 5.900 3.090 1.941 4.872 . 0 0 "[ . 1 . 2]" 1
694 1 47 THR H 1 47 THR MG 4.200 . 6.000 3.770 3.754 3.782 . 0 0 "[ . 1 . 2]" 1
695 1 47 THR MG 1 48 MET H 4.100 . 6.000 3.535 3.356 3.654 . 0 0 "[ . 1 . 2]" 1
696 1 46 GLN HB2 1 48 MET H 6.000 . 6.000 5.796 5.565 5.943 . 0 0 "[ . 1 . 2]" 1
697 1 48 MET H 1 48 MET QB 3.400 . 5.700 2.239 2.206 2.260 . 0 0 "[ . 1 . 2]" 1
698 1 47 THR H 1 48 MET H 2.900 . 4.500 2.715 2.581 2.835 . 0 0 "[ . 1 . 2]" 1
699 1 48 MET HA 1 51 ASN HB2 3.500 . 5.900 3.182 2.640 5.123 . 0 0 "[ . 1 . 2]" 1
700 1 48 MET HA 1 51 ASN QD 2.500 . 6.000 3.299 2.200 5.109 . 0 0 "[ . 1 . 2]" 1
701 1 48 MET H 1 48 MET HA 2.700 . 4.100 2.813 2.791 2.848 . 0 0 "[ . 1 . 2]" 1
702 1 48 MET HA 1 52 GLU H 3.000 . 4.800 4.256 3.963 4.758 . 0 0 "[ . 1 . 2]" 1
703 1 45 LYS HA 1 48 MET QB 3.200 . 5.300 2.804 2.383 3.074 . 0 0 "[ . 1 . 2]" 1
704 1 48 MET QB 1 49 LEU H 2.500 . 3.800 2.525 2.335 3.082 . 0 0 "[ . 1 . 2]" 1
705 1 48 MET H 1 48 MET QB 2.800 . 4.400 2.245 2.211 2.266 . 0 0 "[ . 1 . 2]" 1
706 1 48 MET QB 1 51 ASN HB2 2.300 . 6.000 5.081 4.605 6.898 0.898 20 1 "[ . 1 . +]" 1
707 1 47 THR MG 1 48 MET QB 3.800 . 6.000 4.419 4.147 4.632 . 0 0 "[ . 1 . 2]" 1
708 1 65 LEU HA 1 68 GLN QG 3.600 . 6.000 3.607 3.067 4.464 . 0 0 "[ . 1 . 2]" 1
709 1 68 GLN QG 1 78 LYS QB 4.900 . 6.000 4.964 4.150 6.551 0.551 19 1 "[ . 1 . +2]" 1
710 1 45 LYS QD 1 48 MET HG2 3.500 . 6.000 4.333 3.344 5.876 . 0 0 "[ . 1 . 2]" 1
711 1 68 GLN H 1 68 GLN QG . . 2.800 2.274 2.090 2.489 . 0 0 "[ . 1 . 2]" 1
712 1 48 MET H 1 49 LEU H 2.900 . 4.600 2.674 2.551 2.795 . 0 0 "[ . 1 . 2]" 1
713 1 48 MET QB 1 49 LEU HA 2.800 . 4.300 3.715 3.265 4.077 . 0 0 "[ . 1 . 2]" 1
714 1 49 LEU HA 1 53 LYS HG3 2.600 . 4.000 3.493 2.804 4.014 0.014 3 0 "[ . 1 . 2]" 1
715 1 49 LEU HA 1 49 LEU QB 2.600 . 3.600 2.438 2.347 2.522 . 0 0 "[ . 1 . 2]" 1
716 1 49 LEU HA 1 49 LEU QD 2.400 . 3.500 2.159 1.952 2.429 . 0 0 "[ . 1 . 2]" 1
717 1 49 LEU HA 1 52 GLU H 2.900 . 4.600 3.344 3.083 3.916 . 0 0 "[ . 1 . 2]" 1
718 1 48 MET H 1 49 LEU HA 3.800 . 6.000 5.282 5.186 5.372 . 0 0 "[ . 1 . 2]" 1
719 1 49 LEU QB 1 53 LYS HG3 4.300 . 6.000 3.639 2.746 4.489 . 0 0 "[ . 1 . 2]" 1
720 1 49 LEU H 1 49 LEU QB 2.600 . 3.900 2.282 2.078 2.526 . 0 0 "[ . 1 . 2]" 1
721 1 48 MET HG2 1 49 LEU QD 4.900 . 6.000 3.828 2.934 4.988 . 0 0 "[ . 1 . 2]" 1
722 1 49 LEU QD 1 53 LYS QD 2.500 . 6.000 3.339 2.884 3.689 . 0 0 "[ . 1 . 2]" 1
723 1 49 LEU H 1 49 LEU QD 4.200 . 6.000 2.714 2.249 3.452 . 0 0 "[ . 1 . 2]" 1
724 1 48 MET H 1 49 LEU QD 4.300 . 6.000 4.420 3.928 5.290 . 0 0 "[ . 1 . 2]" 1
725 1 46 GLN QE 1 49 LEU QD 4.400 . 6.000 3.461 2.228 5.761 . 0 0 "[ . 1 . 2]" 1
726 1 45 LYS HA 1 49 LEU QD 5.900 . 6.000 4.026 3.422 4.751 . 0 0 "[ . 1 . 2]" 1
727 1 50 ILE H 1 55 LEU QD 5.700 . 6.000 4.099 3.072 4.464 . 0 0 "[ . 1 . 2]" 1
728 1 47 THR HA 1 50 ILE H 3.400 . 5.600 3.387 3.168 3.763 . 0 0 "[ . 1 . 2]" 1
729 1 50 ILE H 1 51 ASN HA 3.700 . 6.000 5.295 5.222 5.382 . 0 0 "[ . 1 . 2]" 1
730 1 50 ILE H 1 51 ASN H 3.200 . 5.300 2.668 2.582 2.789 . 0 0 "[ . 1 . 2]" 1
731 1 50 ILE H 1 52 GLU H 5.100 . 6.000 4.074 3.801 4.322 . 0 0 "[ . 1 . 2]" 1
732 1 50 ILE HA 1 55 LEU HA 6.000 . 6.000 5.573 4.930 6.088 0.088 3 0 "[ . 1 . 2]" 1
733 1 50 ILE HA 1 53 LYS QE 4.700 . 6.000 5.098 3.782 6.389 0.389 5 0 "[ . 1 . 2]" 1
734 1 50 ILE HA 1 55 LEU QB 4.100 . 6.000 3.894 2.251 4.812 . 0 0 "[ . 1 . 2]" 1
735 1 50 ILE HA 1 53 LYS HG3 4.600 . 6.000 4.727 3.983 5.421 . 0 0 "[ . 1 . 2]" 1
736 1 50 ILE HA 1 55 LEU HG 2.800 . 4.400 2.473 2.156 2.911 . 0 0 "[ . 1 . 2]" 1
737 1 50 ILE HA 1 55 LEU QD 2.300 . 3.400 2.520 2.105 2.908 . 0 0 "[ . 1 . 2]" 1
738 1 50 ILE H 1 50 ILE HA 2.900 . 4.600 2.810 2.785 2.834 . 0 0 "[ . 1 . 2]" 1
739 1 47 THR HA 1 50 ILE HB 3.200 . 5.300 2.730 2.370 3.078 . 0 0 "[ . 1 . 2]" 1
740 1 50 ILE HA 1 50 ILE HB 3.000 . 4.900 3.021 2.957 3.029 . 0 0 "[ . 1 . 2]" 1
741 1 50 ILE H 1 50 ILE HB 2.500 . 3.800 2.497 2.193 2.550 . 0 0 "[ . 1 . 2]" 1
742 1 50 ILE HB 1 51 ASN H 3.400 . 5.700 2.638 2.411 2.886 . 0 0 "[ . 1 . 2]" 1
743 1 47 THR HA 1 50 ILE QG 4.900 . 6.000 3.130 2.726 4.305 . 0 0 "[ . 1 . 2]" 1
744 1 50 ILE HA 1 50 ILE QG 2.500 . 3.700 2.389 2.341 2.461 . 0 0 "[ . 1 . 2]" 1
745 1 50 ILE QG 1 55 LEU HG 3.000 . 4.800 3.549 2.782 4.315 . 0 0 "[ . 1 . 2]" 1
746 1 50 ILE QG 1 55 LEU QD 2.600 . 3.900 2.134 1.868 2.759 . 0 0 "[ . 1 . 2]" 1
747 1 50 ILE H 1 50 ILE QG 3.100 . 5.100 2.190 1.974 3.627 . 0 0 "[ . 1 . 2]" 1
748 1 50 ILE MG 1 51 ASN HA 3.600 . 6.000 3.376 3.112 3.522 . 0 0 "[ . 1 . 2]" 1
749 1 47 THR HA 1 50 ILE MG 5.700 . 6.000 4.010 3.686 4.362 . 0 0 "[ . 1 . 2]" 1
750 1 50 ILE HA 1 50 ILE MG 2.800 . 4.300 2.452 2.371 2.765 . 0 0 "[ . 1 . 2]" 1
751 1 50 ILE MG 1 57 MET QG 5.200 . 6.000 4.139 2.823 5.256 . 0 0 "[ . 1 . 2]" 1
752 1 50 ILE HB 1 50 ILE MG 2.300 . 3.400 2.129 2.126 2.133 . 0 0 "[ . 1 . 2]" 1
753 1 50 ILE H 1 50 ILE MG 4.300 . 6.000 3.757 3.589 3.783 . 0 0 "[ . 1 . 2]" 1
754 1 50 ILE MG 1 51 ASN QD 4.000 . 6.000 4.651 2.719 6.205 0.205 11 0 "[ . 1 . 2]" 1
755 1 50 ILE MG 1 54 LYS H 5.300 . 6.000 4.281 3.877 4.843 . 0 0 "[ . 1 . 2]" 1
756 1 46 GLN QE 1 50 ILE MG 5.300 . 6.000 5.041 4.037 6.707 0.707 13 1 "[ . 1 + . 2]" 1
757 1 50 ILE MG 1 52 GLU H 4.600 . 6.000 4.953 4.589 5.223 . 0 0 "[ . 1 . 2]" 1
758 1 50 ILE MG 1 51 ASN H 3.500 . 5.900 3.396 2.930 3.571 . 0 0 "[ . 1 . 2]" 1
759 1 51 ASN H 1 53 LYS HG3 5.700 . 6.000 5.930 5.661 6.287 0.287 18 0 "[ . 1 . 2]" 1
760 1 50 ILE HA 1 51 ASN H 4.000 . 6.000 3.525 3.498 3.563 . 0 0 "[ . 1 . 2]" 1
761 1 47 THR HA 1 51 ASN H 5.500 . 6.000 4.285 3.775 4.477 . 0 0 "[ . 1 . 2]" 1
762 1 50 ILE H 1 51 ASN H 3.300 . 5.500 2.680 2.589 2.797 . 0 0 "[ . 1 . 2]" 1
763 1 51 ASN H 1 52 GLU H 3.400 . 5.800 2.521 2.273 2.689 . 0 0 "[ . 1 . 2]" 1
764 1 51 ASN HA 1 51 ASN HB2 2.500 . 3.700 2.876 2.399 3.032 . 0 0 "[ . 1 . 2]" 1
765 1 50 ILE QG 1 51 ASN HA 3.100 . 5.000 3.353 3.097 3.492 . 0 0 "[ . 1 . 2]" 1
766 1 51 ASN HA 1 52 GLU H 3.300 . 5.400 3.500 3.415 3.546 . 0 0 "[ . 1 . 2]" 1
767 1 51 ASN H 1 51 ASN HA 2.900 . 4.500 2.668 1.756 2.823 0.044 3 0 "[ . 1 . 2]" 1
768 1 51 ASN HA 1 54 LYS H 2.900 . 4.600 3.719 3.278 4.233 . 0 0 "[ . 1 . 2]" 1
769 1 51 ASN HB2 1 52 GLU H 3.900 . 6.000 3.070 2.376 4.170 . 0 0 "[ . 1 . 2]" 1
770 1 51 ASN HB2 1 51 ASN QD 3.000 . 4.800 2.386 2.179 3.299 . 0 0 "[ . 1 . 2]" 1
771 1 50 ILE H 1 51 ASN HB2 6.000 . 6.000 4.935 4.668 6.339 0.339 20 0 "[ . 1 . 2]" 1
772 1 52 GLU H 1 53 LYS HG3 4.200 . 6.000 4.420 4.048 4.725 . 0 0 "[ . 1 . 2]" 1
773 1 52 GLU H 1 52 GLU HB2 2.400 . 3.500 2.423 2.102 2.609 . 0 0 "[ . 1 . 2]" 1
774 1 50 ILE HA 1 52 GLU H 4.700 . 6.000 4.392 4.080 4.788 . 0 0 "[ . 1 . 2]" 1
775 1 51 ASN H 1 52 GLU H 3.100 . 5.000 2.509 2.266 2.671 . 0 0 "[ . 1 . 2]" 1
776 1 52 GLU H 1 53 LYS H 3.500 . 6.000 2.587 2.300 2.787 . 0 0 "[ . 1 . 2]" 1
777 1 52 GLU HA 1 52 GLU HB3 2.100 . 3.000 2.623 2.448 3.026 0.026 10 0 "[ . 1 . 2]" 1
778 1 48 MET HG3 1 52 GLU HB3 3.000 . 6.000 5.620 4.116 6.741 0.741 6 2 "[ -.+ 1 . 2]" 1
779 1 52 GLU HB3 1 53 LYS QD 3.100 . 5.000 3.695 2.531 4.671 . 0 0 "[ . 1 . 2]" 1
780 1 52 GLU H 1 52 GLU HB3 3.700 . 6.000 3.351 2.437 3.612 . 0 0 "[ . 1 . 2]" 1
781 1 52 GLU HB3 1 53 LYS H 3.100 . 5.000 3.249 2.074 3.808 . 0 0 "[ . 1 . 2]" 1
782 1 52 GLU HB3 1 54 LYS H 4.300 . 6.000 5.053 4.244 5.398 . 0 0 "[ . 1 . 2]" 1
783 1 51 ASN H 1 52 GLU HB3 3.800 . 6.000 5.784 4.455 6.197 0.197 3 0 "[ . 1 . 2]" 1
784 1 52 GLU HA 1 52 GLU HB2 2.700 . 4.100 2.899 2.447 3.023 . 0 0 "[ . 1 . 2]" 1
785 1 49 LEU QD 1 52 GLU HB2 2.300 . 6.000 3.906 3.415 4.357 . 0 0 "[ . 1 . 2]" 1
786 1 52 GLU HB2 1 53 LYS H 2.200 . 3.200 2.820 2.330 3.730 0.530 18 1 "[ . 1 . + 2]" 1
787 1 52 GLU HA 1 52 GLU HG2 3.700 . 6.000 2.817 2.366 3.123 . 0 0 "[ . 1 . 2]" 1
788 1 52 GLU H 1 52 GLU HG2 4.300 . 6.000 3.200 2.180 4.421 . 0 0 "[ . 1 . 2]" 1
789 1 52 GLU HG2 1 53 LYS H 4.400 . 6.000 4.386 3.331 4.953 . 0 0 "[ . 1 . 2]" 1
790 1 51 ASN H 1 52 GLU HG2 5.400 . 6.000 5.301 4.218 6.840 0.840 10 4 "[ . + * .- * 2]" 1
791 1 52 GLU HA 1 52 GLU HG3 3.000 . 4.800 3.325 2.632 3.736 . 0 0 "[ . 1 . 2]" 1
792 1 52 GLU HB3 1 52 GLU HG3 2.100 . 3.000 2.722 2.382 3.011 0.011 7 0 "[ . 1 . 2]" 1
793 1 52 GLU HG3 1 53 LYS HG3 3.900 . 6.000 5.266 4.455 5.811 . 0 0 "[ . 1 . 2]" 1
794 1 49 LEU QD 1 52 GLU HG3 3.700 . 6.000 4.409 3.713 5.531 . 0 0 "[ . 1 . 2]" 1
795 1 52 GLU H 1 52 GLU HG3 2.900 . 4.600 3.518 2.143 4.505 . 0 0 "[ . 1 . 2]" 1
796 1 52 GLU HG3 1 53 LYS H 4.100 . 6.000 4.673 4.187 5.080 . 0 0 "[ . 1 . 2]" 1
797 1 53 LYS H 1 55 LEU QD 4.800 . 6.000 4.208 4.004 4.688 . 0 0 "[ . 1 . 2]" 1
798 1 53 LYS H 1 54 LYS HB2 3.300 . 6.000 5.441 5.040 5.604 . 0 0 "[ . 1 . 2]" 1
799 1 53 LYS H 1 53 LYS QE 3.900 . 6.000 4.344 3.325 5.143 . 0 0 "[ . 1 . 2]" 1
800 1 50 ILE HA 1 53 LYS H 4.600 . 6.000 3.763 3.370 4.015 . 0 0 "[ . 1 . 2]" 1
801 1 53 LYS HA 1 54 LYS HB2 3.100 . 5.000 4.377 4.058 4.644 . 0 0 "[ . 1 . 2]" 1
802 1 53 LYS HA 1 53 LYS HB2 2.500 . 3.800 2.935 2.908 2.949 . 0 0 "[ . 1 . 2]" 1
803 1 53 LYS HA 1 53 LYS HG3 2.600 . 3.900 3.108 2.794 3.301 . 0 0 "[ . 1 . 2]" 1
804 1 53 LYS HA 1 55 LEU QD 4.900 . 6.000 4.519 4.061 5.826 . 0 0 "[ . 1 . 2]" 1
805 1 52 GLU H 1 53 LYS HA 5.000 . 6.000 5.210 4.980 5.364 . 0 0 "[ . 1 . 2]" 1
806 1 53 LYS H 1 53 LYS HA 3.000 . 4.800 2.884 2.838 2.926 . 0 0 "[ . 1 . 2]" 1
807 1 53 LYS HB3 1 55 LEU QD 2.700 . 4.200 2.690 2.201 4.618 0.418 10 0 "[ . 1 . 2]" 1
808 1 53 LYS HB2 1 55 LEU QD 1.900 . 6.000 2.453 2.092 3.407 . 0 0 "[ . 1 . 2]" 1
809 1 53 LYS H 1 53 LYS HB2 2.800 . 4.400 2.481 2.327 2.641 . 0 0 "[ . 1 . 2]" 1
810 1 53 LYS QD 1 55 LEU QD 4.800 . 6.000 2.509 1.909 3.826 . 0 0 "[ . 1 . 2]" 1
811 1 53 LYS H 1 53 LYS QD 4.200 . 6.000 3.973 3.621 4.560 . 0 0 "[ . 1 . 2]" 1
812 1 53 LYS HA 1 53 LYS QD 4.400 . 6.000 3.997 3.814 4.070 . 0 0 "[ . 1 . 2]" 1
813 1 53 LYS QD 1 53 LYS QE 2.100 . 3.000 2.045 1.985 2.091 . 0 0 "[ . 1 . 2]" 1
814 1 53 LYS QD 1 55 LEU H 6.000 . 6.000 5.461 4.524 6.844 0.844 2 3 "[ + . 1- * . 2]" 1
815 1 53 LYS HA 1 53 LYS QE 5.800 . 6.000 4.795 4.424 5.193 . 0 0 "[ . 1 . 2]" 1
816 1 53 LYS QE 1 53 LYS HG3 2.000 . 2.800 2.498 2.270 3.063 0.263 3 0 "[ . 1 . 2]" 1
817 1 49 LEU QB 1 53 LYS QE 2.500 . 3.800 2.720 1.853 3.905 0.105 10 0 "[ . 1 . 2]" 1
818 1 50 ILE H 1 53 LYS QE 3.800 . 6.000 5.432 4.451 6.473 0.473 20 0 "[ . 1 . 2]" 1
819 1 46 GLN QE 1 53 LYS QE 4.000 . 6.000 5.134 3.524 9.940 3.940 20 3 "[ . 1 .* -+]" 1
820 1 52 GLU HB2 1 53 LYS HG3 2.200 . 6.000 3.442 2.412 4.412 . 0 0 "[ . 1 . 2]" 1
821 1 53 LYS H 1 53 LYS HG3 2.000 . 2.800 2.389 2.142 2.731 . 0 0 "[ . 1 . 2]" 1
822 1 54 LYS H 1 55 LEU QD 4.500 . 6.000 4.230 4.010 4.510 . 0 0 "[ . 1 . 2]" 1
823 1 54 LYS H 1 54 LYS HB3 3.100 . 5.000 4.032 3.649 4.096 . 0 0 "[ . 1 . 2]" 1
824 1 54 LYS H 1 54 LYS HB2 2.800 . 4.400 3.496 3.014 3.629 . 0 0 "[ . 1 . 2]" 1
825 1 53 LYS QE 1 54 LYS H 5.700 . 6.000 6.025 4.989 6.677 0.677 20 2 "[ - . 1 . +]" 1
826 1 50 ILE HA 1 54 LYS H 5.300 . 6.000 3.897 3.295 4.703 . 0 0 "[ . 1 . 2]" 1
827 1 53 LYS HA 1 54 LYS H 3.000 . 4.800 3.382 3.200 3.472 . 0 0 "[ . 1 . 2]" 1
828 1 54 LYS H 1 55 LEU H 3.000 . 4.800 2.919 2.632 3.269 . 0 0 "[ . 1 . 2]" 1
829 1 53 LYS H 1 54 LYS H 2.800 . 4.400 2.393 2.221 2.510 . 0 0 "[ . 1 . 2]" 1
830 1 52 GLU H 1 54 LYS H 4.800 . 6.000 3.679 3.426 3.880 . 0 0 "[ . 1 . 2]" 1
831 1 54 LYS HA 1 54 LYS HB3 2.400 . 3.500 2.519 2.430 3.018 . 0 0 "[ . 1 . 2]" 1
832 1 54 LYS HA 1 54 LYS HG3 2.100 . 3.000 3.166 2.437 3.810 0.810 12 4 "[ - * + . * 2]" 1
833 1 54 LYS H 1 54 LYS HA 2.500 . 3.800 2.263 2.247 2.276 . 0 0 "[ . 1 . 2]" 1
834 1 54 LYS HA 1 55 LEU H 2.400 . 3.500 2.539 2.242 2.877 . 0 0 "[ . 1 . 2]" 1
835 1 53 LYS H 1 54 LYS HA 3.900 . 6.000 4.615 4.440 4.734 . 0 0 "[ . 1 . 2]" 1
836 1 54 LYS HB3 1 54 LYS HG3 2.400 . 3.500 2.838 2.443 3.013 . 0 0 "[ . 1 . 2]" 1
837 1 54 LYS HB3 1 55 LEU H 2.500 . 6.000 4.322 4.120 4.475 . 0 0 "[ . 1 . 2]" 1
838 1 54 LYS HB2 1 55 LEU H 3.500 . 6.000 4.394 4.148 4.635 . 0 0 "[ . 1 . 2]" 1
839 1 54 LYS HB2 1 54 LYS HG3 2.300 . 3.300 2.491 2.303 3.011 . 0 0 "[ . 1 . 2]" 1
840 1 78 LYS QB 1 78 LYS QG 1.800 . 6.000 2.021 1.996 2.076 . 0 0 "[ . 1 . 2]" 1
841 1 78 LYS QG 1 79 ASP H 4.100 . 6.000 4.271 3.475 4.780 . 0 0 "[ . 1 . 2]" 1
842 1 54 LYS HG3 1 55 LEU H 3.700 . 6.000 5.193 4.481 5.992 . 0 0 "[ . 1 . 2]" 1
843 1 54 LYS H 1 54 LYS HG3 4.100 . 6.000 3.336 2.735 4.820 . 0 0 "[ . 1 . 2]" 1
844 1 55 LEU H 1 55 LEU QD 2.200 . 6.000 2.938 2.295 3.166 . 0 0 "[ . 1 . 2]" 1
845 1 53 LYS HG3 1 55 LEU H 4.800 . 6.000 5.828 5.283 6.441 0.441 11 0 "[ . 1 . 2]" 1
846 1 53 LYS QE 1 55 LEU H 6.000 . 6.000 6.478 4.733 7.423 1.423 10 12 "[ **.** *+ *-** **]" 1
847 1 50 ILE HA 1 55 LEU H 4.700 . 6.000 3.219 2.431 3.734 . 0 0 "[ . 1 . 2]" 1
848 1 55 LEU H 1 55 LEU HA 2.800 . 4.400 2.906 2.796 2.947 . 0 0 "[ . 1 . 2]" 1
849 1 53 LYS H 1 55 LEU H 5.600 . 6.000 4.469 3.859 5.054 . 0 0 "[ . 1 . 2]" 1
850 1 52 GLU H 1 55 LEU H 3.000 . 6.000 5.759 5.291 6.161 0.161 11 0 "[ . 1 . 2]" 1
851 1 55 LEU H 1 56 ASN H 5.100 . 6.000 4.421 3.809 4.580 . 0 0 "[ . 1 . 2]" 1
852 1 54 LYS HA 1 55 LEU HA 4.100 . 6.000 4.499 4.347 4.707 . 0 0 "[ . 1 . 2]" 1
853 1 55 LEU HA 1 56 ASN HA 6.000 . 6.000 4.392 4.352 4.513 . 0 0 "[ . 1 . 2]" 1
854 1 55 LEU HA 1 55 LEU QD 3.500 . 6.000 2.945 1.980 3.420 . 0 0 "[ . 1 . 2]" 1
855 1 55 LEU HA 1 56 ASN H 2.700 . 4.200 2.239 2.098 2.395 . 0 0 "[ . 1 . 2]" 1
856 1 54 LYS H 1 55 LEU HA 5.000 . 6.000 5.230 5.027 5.398 . 0 0 "[ . 1 . 2]" 1
857 1 55 LEU QB 1 56 ASN H 3.600 . 6.000 2.968 2.425 3.819 . 0 0 "[ . 1 . 2]" 1
858 1 53 LYS QE 1 55 LEU QD 3.600 . 6.000 3.309 1.880 4.743 . 0 0 "[ . 1 . 2]" 1
859 1 53 LYS HG3 1 55 LEU QD 3.300 . 5.500 3.912 3.576 4.676 . 0 0 "[ . 1 . 2]" 1
860 1 50 ILE MG 1 55 LEU QD 2.800 . 4.400 2.610 2.009 4.033 . 0 0 "[ . 1 . 2]" 1
861 1 55 LEU QD 1 55 LEU HG 2.200 . 3.200 1.894 1.890 1.896 . 0 0 "[ . 1 . 2]" 1
862 1 55 LEU QD 1 56 ASN H 2.200 . 6.000 3.583 3.176 4.201 . 0 0 "[ . 1 . 2]" 1
863 1 55 LEU QD 1 62 HIS HD2 3.000 . 4.800 4.327 2.839 6.036 1.236 5 1 "[ + 1 . 2]" 1
864 1 55 LEU HA 1 55 LEU HG 3.700 . 6.000 3.526 3.166 3.717 . 0 0 "[ . 1 . 2]" 1
865 1 54 LYS HA 1 55 LEU HG 4.200 . 6.000 4.441 3.975 4.899 . 0 0 "[ . 1 . 2]" 1
866 1 55 LEU HG 1 56 ASN H 4.400 . 6.000 4.987 4.657 5.377 . 0 0 "[ . 1 . 2]" 1
867 1 56 ASN H 1 59 ASN HB2 5.800 . 6.000 5.117 3.582 6.335 0.335 4 0 "[ . 1 . 2]" 1
868 1 56 ASN H 1 62 HIS QB 5.400 . 6.000 4.108 2.866 5.278 . 0 0 "[ . 1 . 2]" 1
869 1 56 ASN H 1 56 ASN QD 4.900 . 6.000 3.979 2.356 4.825 . 0 0 "[ . 1 . 2]" 1
870 1 56 ASN H 1 59 ASN H 6.000 . 6.000 5.186 4.229 5.879 . 0 0 "[ . 1 . 2]" 1
871 1 56 ASN H 1 57 MET H 6.000 . 6.000 4.461 4.335 4.592 . 0 0 "[ . 1 . 2]" 1
872 1 56 ASN HA 1 57 MET HA 6.000 . 6.000 4.332 4.270 4.405 . 0 0 "[ . 1 . 2]" 1
873 1 56 ASN HA 1 57 MET QG 5.900 . 6.000 4.124 3.154 5.618 . 0 0 "[ . 1 . 2]" 1
874 1 56 ASN HA 1 57 MET H 3.400 . 5.700 2.194 2.116 2.328 . 0 0 "[ . 1 . 2]" 1
875 1 55 LEU QD 1 57 MET H 3.300 . 6.000 4.669 3.498 6.240 0.240 18 0 "[ . 1 . 2]" 1
876 1 57 MET H 1 57 MET QG 4.500 . 5.000 2.788 1.927 4.038 . 0 0 "[ . 1 . 2]" 1
877 1 57 MET H 1 58 MET H 3.500 . 6.000 2.706 2.262 3.777 . 0 0 "[ . 1 . 2]" 1
878 1 57 MET HA 1 57 MET QG 3.600 . 6.000 2.761 2.400 3.329 . 0 0 "[ . 1 . 2]" 1
879 1 57 MET HA 1 58 MET H 2.300 . 3.400 3.093 2.363 3.431 0.031 11 0 "[ . 1 . 2]" 1
880 1 57 MET HA 1 59 ASN H 2.500 . 6.000 3.437 2.970 4.118 . 0 0 "[ . 1 . 2]" 1
881 1 57 MET H 1 57 MET HA 2.700 . 4.200 2.891 2.861 2.939 . 0 0 "[ . 1 . 2]" 1
882 1 57 MET H 1 57 MET HB2 2.800 . 4.300 2.470 2.200 3.718 . 0 0 "[ . 1 . 2]" 1
883 1 57 MET HB2 1 58 MET H 3.500 . 6.000 3.811 3.160 4.599 . 0 0 "[ . 1 . 2]" 1
884 1 57 MET ME 1 62 HIS QB 3.000 . 4.800 3.450 2.498 4.811 0.011 8 0 "[ . 1 . 2]" 1
885 1 47 THR HA 1 57 MET ME 2.200 . 6.000 5.631 5.020 6.837 0.837 11 1 "[ . 1+ . 2]" 1
886 1 50 ILE HA 1 57 MET ME 4.200 . 6.000 4.628 3.377 5.701 . 0 0 "[ . 1 . 2]" 1
887 1 55 LEU QB 1 57 MET ME 3.100 . 5.000 3.918 2.073 5.042 0.042 10 0 "[ . 1 . 2]" 1
888 1 55 LEU QD 1 57 MET ME 2.100 . 3.000 2.481 1.898 3.913 0.913 16 1 "[ . 1 .+ 2]" 1
889 1 55 LEU HG 1 57 MET ME 2.600 . 4.000 4.588 4.015 5.774 1.774 2 8 "[ + ** * * .* * -]" 1
890 1 56 ASN H 1 57 MET ME 3.500 . 5.900 5.669 4.870 6.321 0.421 10 0 "[ . 1 . 2]" 1
891 1 57 MET H 1 57 MET ME 4.100 . 6.000 4.351 3.516 5.391 . 0 0 "[ . 1 . 2]" 1
892 1 57 MET ME 1 63 ARG H 4.100 . 6.000 5.404 4.443 6.039 0.039 8 0 "[ . 1 . 2]" 1
893 1 46 GLN QE 1 57 MET ME 4.200 . 6.000 3.867 1.971 5.010 . 0 0 "[ . 1 . 2]" 1
894 1 50 ILE MD 1 57 MET QG 3.000 . 4.800 3.846 2.743 5.340 0.540 16 1 "[ . 1 .+ 2]" 1
895 1 58 MET H 1 58 MET HG2 3.500 . 5.900 3.234 2.122 4.434 . 0 0 "[ . 1 . 2]" 1
896 1 58 MET H 1 62 HIS QB 4.100 . 6.000 4.847 3.887 5.486 . 0 0 "[ . 1 . 2]" 1
897 1 56 ASN QD 1 58 MET H 3.700 . 6.000 4.036 2.406 5.177 . 0 0 "[ . 1 . 2]" 1
898 1 56 ASN H 1 58 MET H 6.000 . 6.000 4.919 4.433 5.510 . 0 0 "[ . 1 . 2]" 1
899 1 58 MET H 1 59 ASN H 2.000 . 2.800 2.344 1.697 2.727 0.103 4 0 "[ . 1 . 2]" 1
900 1 58 MET HA 1 58 MET HG3 2.600 . 4.000 3.188 2.479 3.814 . 0 0 "[ . 1 . 2]" 1
901 1 58 MET HA 1 59 ASN H 3.400 . 5.800 3.414 3.220 3.521 . 0 0 "[ . 1 . 2]" 1
902 1 58 MET H 1 58 MET HB2 2.600 . 4.000 2.849 2.389 3.865 . 0 0 "[ . 1 . 2]" 1
903 1 56 ASN QD 1 58 MET HB2 3.200 . 5.300 4.329 2.131 6.240 0.940 5 1 "[ + 1 . 2]" 1
904 1 58 MET HA 1 58 MET ME 2.100 . 6.000 4.526 3.830 5.426 . 0 0 "[ . 1 . 2]" 1
905 1 58 MET HA 1 58 MET HG2 3.800 . 6.000 3.073 2.468 3.836 . 0 0 "[ . 1 . 2]" 1
906 1 58 MET HG2 1 59 ASN H 4.400 . 6.000 4.401 2.695 5.213 . 0 0 "[ . 1 . 2]" 1
907 1 58 MET H 1 58 MET HG3 4.400 . 6.000 2.816 2.104 4.402 . 0 0 "[ . 1 . 2]" 1
908 1 58 MET HG3 1 59 ASN H 5.400 . 6.000 4.008 2.628 4.975 . 0 0 "[ . 1 . 2]" 1
909 1 55 LEU QD 1 59 ASN H 2.800 . 6.000 6.030 5.376 7.089 1.089 18 7 "[ - * * *1 * .* + 2]" 1
910 1 55 LEU QB 1 59 ASN H 4.300 . 6.000 6.288 5.819 7.048 1.048 18 5 "[ . * *1 .- + *]" 1
911 1 59 ASN H 1 59 ASN HD22 4.900 . 6.000 5.033 4.379 6.086 0.086 4 0 "[ . 1 . 2]" 1
912 1 59 ASN H 1 59 ASN HD21 4.800 . 6.000 4.635 2.955 5.186 . 0 0 "[ . 1 . 2]" 1
913 1 57 MET H 1 59 ASN H 5.900 . 6.000 4.545 4.064 5.395 . 0 0 "[ . 1 . 2]" 1
914 1 59 ASN HA 1 60 ALA HA 4.300 . 6.000 4.324 4.244 4.404 . 0 0 "[ . 1 . 2]" 1
915 1 59 ASN HA 1 60 ALA MB 4.500 . 6.000 4.007 3.939 4.101 . 0 0 "[ . 1 . 2]" 1
916 1 59 ASN HA 1 59 ASN HD22 5.400 . 6.000 4.271 3.511 4.773 . 0 0 "[ . 1 . 2]" 1
917 1 60 ALA MB 1 63 ARG HB3 4.500 . 6.000 3.779 2.887 5.775 . 0 0 "[ . 1 . 2]" 1
918 1 60 ALA MB 1 61 GLU H 3.400 . 5.600 2.806 2.547 3.144 . 0 0 "[ . 1 . 2]" 1
919 1 61 GLU H 1 61 GLU HB3 3.200 . 5.300 3.526 2.417 3.623 . 0 0 "[ . 1 . 2]" 1
920 1 60 ALA HA 1 61 GLU H 3.400 . 5.700 3.462 3.321 3.530 . 0 0 "[ . 1 . 2]" 1
921 1 61 GLU H 1 62 HIS HA 4.400 . 6.000 5.407 5.262 5.531 . 0 0 "[ . 1 . 2]" 1
922 1 59 ASN HD21 1 61 GLU H 4.100 . 6.000 4.576 4.088 5.795 . 0 0 "[ . 1 . 2]" 1
923 1 61 GLU H 1 61 GLU HA 2.600 . 4.000 2.766 2.721 2.832 . 0 0 "[ . 1 . 2]" 1
924 1 61 GLU HA 1 61 GLU HB3 2.200 . 3.200 2.475 2.342 3.011 . 0 0 "[ . 1 . 2]" 1
925 1 61 GLU HB3 1 62 HIS HA 2.900 . 4.600 4.348 4.106 4.548 . 0 0 "[ . 1 . 2]" 1
926 1 61 GLU HB3 1 62 HIS HD2 4.200 . 6.000 4.831 3.398 6.185 0.185 10 0 "[ . 1 . 2]" 1
927 1 61 GLU HB2 1 62 HIS HA 3.000 . 4.800 4.269 3.845 5.417 0.617 8 1 "[ . + 1 . 2]" 1
928 1 61 GLU HA 1 61 GLU HB2 2.600 . 4.000 2.989 2.396 3.026 . 0 0 "[ . 1 . 2]" 1
929 1 61 GLU H 1 61 GLU HB2 2.600 . 3.900 2.612 2.434 2.941 . 0 0 "[ . 1 . 2]" 1
930 1 61 GLU HB2 1 62 HIS HD2 3.000 . 4.800 3.676 2.633 5.126 0.326 8 0 "[ . 1 . 2]" 1
931 1 61 GLU HA 1 61 GLU QG 3.500 . 3.700 2.699 2.395 3.099 . 0 0 "[ . 1 . 2]" 1
932 1 61 GLU H 1 61 GLU QG 2.800 . 4.400 2.143 1.655 3.945 0.145 13 0 "[ . 1 . 2]" 1
933 1 59 ASN HD21 1 61 GLU QG 6.000 . 6.000 4.109 2.899 5.945 . 0 0 "[ . 1 . 2]" 1
934 1 55 LEU QD 1 62 HIS H 2.500 . 6.000 5.015 4.234 5.810 . 0 0 "[ . 1 . 2]" 1
935 1 60 ALA MB 1 62 HIS H 4.600 . 6.000 4.739 4.477 4.951 . 0 0 "[ . 1 . 2]" 1
936 1 61 GLU QB 1 62 HIS H 2.400 . 3.600 2.398 2.012 2.851 . 0 0 "[ . 1 . 2]" 1
937 1 62 HIS H 1 62 HIS QB 3.100 . 5.000 2.473 2.321 2.569 . 0 0 "[ . 1 . 2]" 1
938 1 62 HIS H 1 63 ARG HA 3.500 . 6.000 4.963 4.828 5.200 . 0 0 "[ . 1 . 2]" 1
939 1 62 HIS H 1 62 HIS HA 3.000 . 4.900 2.886 2.812 2.919 . 0 0 "[ . 1 . 2]" 1
940 1 62 HIS H 1 62 HIS HD2 3.800 . 6.000 3.087 2.293 4.095 . 0 0 "[ . 1 . 2]" 1
941 1 59 ASN HD21 1 62 HIS H 3.800 . 6.000 5.354 4.825 5.920 . 0 0 "[ . 1 . 2]" 1
942 1 56 ASN H 1 62 HIS H 6.000 . 6.000 6.227 5.416 7.440 1.440 17 6 "[ *-** 1 . + *]" 1
943 1 62 HIS HA 1 62 HIS QB 2.100 . 3.000 2.347 2.181 2.424 . 0 0 "[ . 1 . 2]" 1
944 1 55 LEU HG 1 62 HIS HA 4.200 . 6.000 6.824 5.943 7.547 1.547 3 14 "[ *+*. **1* **-*****]" 1
945 1 55 LEU QD 1 62 HIS HA 1.900 . 6.000 3.704 2.952 4.180 . 0 0 "[ . 1 . 2]" 1
946 1 62 HIS HA 1 63 ARG H 2.700 . 4.200 3.437 3.398 3.527 . 0 0 "[ . 1 . 2]" 1
947 1 62 HIS HA 1 62 HIS HD2 2.800 . 4.400 4.287 2.247 4.724 0.324 1 0 "[ . 1 . 2]" 1
948 1 55 LEU QD 1 62 HIS QB 2.200 . 3.100 2.401 1.961 3.314 0.214 2 0 "[ . 1 . 2]" 1
949 1 55 LEU HG 1 62 HIS QB 4.200 . 6.000 4.841 4.133 5.919 . 0 0 "[ . 1 . 2]" 1
950 1 55 LEU QB 1 62 HIS QB 3.000 . 4.800 2.790 1.892 3.618 . 0 0 "[ . 1 . 2]" 1
951 1 62 HIS QB 1 63 ARG H 4.100 . 6.000 3.021 2.749 3.679 . 0 0 "[ . 1 . 2]" 1
952 1 55 LEU QD 1 63 ARG H 3.000 . 6.000 5.405 4.693 6.403 0.403 2 0 "[ . 1 . 2]" 1
953 1 63 ARG H 1 64 LYS QG 3.900 . 6.000 4.062 3.663 4.476 . 0 0 "[ . 1 . 2]" 1
954 1 63 ARG HA 1 64 LYS QG 3.100 . 6.000 5.322 5.103 5.638 . 0 0 "[ . 1 . 2]" 1
955 1 63 ARG HA 1 66 LEU MD1 3.700 . 6.000 4.655 3.653 5.569 . 0 0 "[ . 1 . 2]" 1
956 1 64 LYS H 1 64 LYS HE3 6.000 . 6.000 5.246 3.500 6.326 0.326 7 0 "[ . 1 . 2]" 1
957 1 63 ARG H 1 64 LYS H 2.800 . 4.400 2.677 2.430 2.826 . 0 0 "[ . 1 . 2]" 1
958 1 64 LYS H 1 64 LYS HB3 3.000 . 4.800 2.634 2.383 3.630 . 0 0 "[ . 1 . 2]" 1
959 1 64 LYS QD 1 64 LYS HE3 2.500 . 3.700 2.292 2.164 2.417 . 0 0 "[ . 1 . 2]" 1
960 1 64 LYS H 1 64 LYS QD 3.400 . 5.700 4.020 3.825 4.287 . 0 0 "[ . 1 . 2]" 1
961 1 64 LYS HE3 1 64 LYS QG 2.600 . 3.900 2.753 2.310 3.409 . 0 0 "[ . 1 . 2]" 1
962 1 64 LYS QG 1 67 GLU QB 4.800 . 6.000 4.528 3.700 4.848 . 0 0 "[ . 1 . 2]" 1
963 1 64 LYS HB3 1 64 LYS QG 2.500 . 3.700 2.317 2.236 2.414 . 0 0 "[ . 1 . 2]" 1
964 1 64 LYS H 1 64 LYS QG 4.300 . 6.000 2.252 2.065 2.629 . 0 0 "[ . 1 . 2]" 1
965 1 55 LEU QD 1 65 LEU H 2.400 . 6.000 5.607 4.734 6.236 0.236 3 0 "[ . 1 . 2]" 1
966 1 65 LEU HA 1 65 LEU QD 3.300 . 5.500 2.047 1.840 2.951 . 0 0 "[ . 1 . 2]" 1
967 1 65 LEU HA 1 68 GLN H 2.900 . 4.600 3.539 3.296 3.773 . 0 0 "[ . 1 . 2]" 1
968 1 65 LEU H 1 65 LEU HA 2.700 . 4.200 2.799 2.776 2.826 . 0 0 "[ . 1 . 2]" 1
969 1 65 LEU QB 1 65 LEU QD 2.100 . 3.000 1.985 1.900 2.068 . 0 0 "[ . 1 . 2]" 1
970 1 55 LEU QD 1 65 LEU QB 1.800 . 6.000 3.698 2.818 4.538 . 0 0 "[ . 1 . 2]" 1
971 1 65 LEU H 1 65 LEU QB 2.900 . 4.500 2.194 2.063 2.427 . 0 0 "[ . 1 . 2]" 1
972 1 46 GLN QE 1 65 LEU QB 4.600 . 6.000 5.299 4.105 8.648 2.648 20 2 "[ . 1 .- +]" 1
973 1 53 LYS QE 1 65 LEU QD 3.600 . 6.000 4.150 2.600 5.310 . 0 0 "[ . 1 . 2]" 1
974 1 55 LEU QD 1 65 LEU QD 1.800 . 6.000 3.007 1.966 4.683 . 0 0 "[ . 1 . 2]" 1
975 1 65 LEU H 1 65 LEU QD 4.600 . 6.000 3.455 2.666 3.766 . 0 0 "[ . 1 . 2]" 1
976 1 65 LEU QD 1 68 GLN HE21 5.000 . 6.000 4.160 2.423 6.032 0.032 3 0 "[ . 1 . 2]" 1
977 1 55 LEU QD 1 65 LEU HG 2.200 . 6.000 4.308 3.265 6.114 0.114 17 0 "[ . 1 . 2]" 1
978 1 55 LEU QD 1 66 LEU H 2.800 . 6.000 4.697 3.797 5.640 . 0 0 "[ . 1 . 2]" 1
979 1 65 LEU H 1 66 LEU H 3.200 . 5.200 2.771 2.641 2.927 . 0 0 "[ . 1 . 2]" 1
980 1 68 GLN HA 1 68 GLN QG 2.300 . 3.300 2.401 2.303 2.485 . 0 0 "[ . 1 . 2]" 1
981 1 68 GLN HA 1 71 VAL QG 2.700 . 6.000 3.599 2.801 4.447 . 0 0 "[ . 1 . 2]" 1
982 1 42 TRP HE1 1 66 LEU MD1 4.400 . 6.000 4.434 2.256 6.901 0.901 15 1 "[ . 1 + 2]" 1
983 1 65 LEU QD 1 67 GLU H 2.900 . 4.600 5.088 4.519 5.433 0.833 19 10 "[ * *** ** -*. *+2]" 1
984 1 67 GLU H 1 68 GLN H 2.300 . 3.300 2.780 2.613 2.965 . 0 0 "[ . 1 . 2]" 1
985 1 67 GLU HA 1 67 GLU QG 3.600 . 6.000 2.538 2.361 3.083 . 0 0 "[ . 1 . 2]" 1
986 1 67 GLU QG 1 71 VAL QG 4.000 . 6.000 2.970 2.384 4.770 . 0 0 "[ . 1 . 2]" 1
987 1 64 LYS HA 1 67 GLU QG 6.000 . 6.000 4.076 2.771 4.515 . 0 0 "[ . 1 . 2]" 1
988 1 67 GLU QG 1 68 GLN H 4.900 . 6.000 3.597 3.114 4.404 . 0 0 "[ . 1 . 2]" 1
989 1 68 GLN H 1 68 GLN HE21 5.000 . 6.000 4.654 3.295 5.413 . 0 0 "[ . 1 . 2]" 1
990 1 65 LEU HA 1 68 GLN QB 3.600 . 6.000 2.762 2.268 3.111 . 0 0 "[ . 1 . 2]" 1
991 1 65 LEU QD 1 68 GLN QB 4.500 . 6.000 3.168 2.563 3.842 . 0 0 "[ . 1 . 2]" 1
992 1 68 GLN QB 1 69 GLU H 3.000 . 4.900 2.397 2.209 2.623 . 0 0 "[ . 1 . 2]" 1
993 1 68 GLN H 1 68 GLN QB 3.600 . 6.000 2.388 2.272 2.494 . 0 0 "[ . 1 . 2]" 1
994 1 68 GLN QB 1 68 GLN HE22 3.500 . 6.000 3.465 3.151 4.073 . 0 0 "[ . 1 . 2]" 1
995 1 68 GLN QB 1 82 ILE QG 6.000 . 6.000 2.189 1.793 4.041 0.007 18 0 "[ . 1 . 2]" 1
996 1 65 LEU QD 1 69 GLU H 3.900 . 6.000 3.814 3.220 4.576 . 0 0 "[ . 1 . 2]" 1
997 1 69 GLU H 1 69 GLU QG 3.000 . 3.800 2.330 1.905 4.033 0.233 20 0 "[ . 1 . 2]" 1
998 1 42 TRP HZ2 1 69 GLU H 5.200 . 6.000 4.803 4.313 5.599 . 0 0 "[ . 1 . 2]" 1
999 1 69 GLU HA 1 82 ILE MG 3.000 . 4.800 4.163 3.347 5.932 1.132 5 1 "[ + 1 . 2]" 1
1000 1 42 TRP HZ2 1 69 GLU QB 3.700 . 6.000 2.332 1.875 3.264 . 0 0 "[ . 1 . 2]" 1
1001 1 69 GLU H 1 69 GLU QB 2.900 . 4.600 2.453 2.197 2.707 . 0 0 "[ . 1 . 2]" 1
1002 1 69 GLU QB 1 70 MET H 2.900 . 4.600 2.675 2.468 3.624 . 0 0 "[ . 1 . 2]" 1
1003 1 42 TRP HZ2 1 69 GLU QG 4.200 . 6.000 4.141 2.352 4.708 . 0 0 "[ . 1 . 2]" 1
1004 1 69 GLU QG 1 82 ILE HB 5.300 . 6.000 5.242 4.189 7.064 1.064 6 1 "[ .+ 1 . 2]" 1
1005 1 70 MET H 1 74 LEU QB 5.500 . 6.000 6.452 6.164 6.780 0.780 19 8 "[* *-** * .* +2]" 1
1006 1 70 MET H 1 71 VAL HA 6.000 . 6.000 5.366 5.306 5.436 . 0 0 "[ . 1 . 2]" 1
1007 1 42 TRP HZ2 1 70 MET H 4.800 . 6.000 3.464 2.934 4.704 . 0 0 "[ . 1 . 2]" 1
1008 1 42 TRP HE1 1 70 MET H 6.000 . 6.000 3.968 3.292 5.026 . 0 0 "[ . 1 . 2]" 1
1009 1 70 MET ME 1 70 MET QG 3.100 . 5.000 2.395 2.231 2.499 . 0 0 "[ . 1 . 2]" 1
1010 1 70 MET H 1 70 MET QG 2.600 . 4.000 3.910 2.656 4.040 0.040 7 0 "[ . 1 . 2]" 1
1011 1 71 VAL HA 1 75 PHE QB 3.300 . 3.900 2.994 2.137 3.771 . 0 0 "[ . 1 . 2]" 1
1012 1 71 VAL HA 1 71 VAL HB 2.900 . 4.600 3.026 3.021 3.031 . 0 0 "[ . 1 . 2]" 1
1013 1 71 VAL HA 1 71 VAL QG 2.300 . 3.400 2.139 2.128 2.154 . 0 0 "[ . 1 . 2]" 1
1014 1 71 VAL HA 1 74 LEU QB 3.800 . 6.000 3.350 2.696 3.911 . 0 0 "[ . 1 . 2]" 1
1015 1 71 VAL HA 1 74 LEU H 3.700 . 6.000 3.785 3.267 4.250 . 0 0 "[ . 1 . 2]" 1
1016 1 71 VAL QG 1 75 PHE QB 4.300 . 6.000 2.297 1.922 2.764 . 0 0 "[ . 1 . 2]" 1
1017 1 71 VAL QG 1 74 LEU QB 4.100 . 6.000 4.211 3.613 4.611 . 0 0 "[ . 1 . 2]" 1
1018 1 72 SER H 1 74 LEU QB 6.000 . 6.000 5.364 4.925 5.675 . 0 0 "[ . 1 . 2]" 1
1019 1 71 VAL HA 1 72 SER H 3.100 . 5.000 3.491 3.388 3.537 . 0 0 "[ . 1 . 2]" 1
1020 1 72 SER H 1 76 GLU HA 3.900 . 6.000 5.318 4.590 5.807 . 0 0 "[ . 1 . 2]" 1
1021 1 69 GLU H 1 72 SER H 2.400 . 6.000 4.775 4.666 4.925 . 0 0 "[ . 1 . 2]" 1
1022 1 72 SER HA 1 76 GLU HA 2.900 . 4.600 2.748 1.958 3.217 . 0 0 "[ . 1 . 2]" 1
1023 1 72 SER HA 1 78 LYS HA 2.100 . 6.000 5.731 4.895 6.528 0.528 7 1 "[ . + 1 . 2]" 1
1024 1 72 SER HA 1 78 LYS QD 3.400 . 5.700 4.059 2.336 4.795 . 0 0 "[ . 1 . 2]" 1
1025 1 71 VAL QG 1 72 SER HA 3.000 . 4.800 3.548 3.318 3.973 . 0 0 "[ . 1 . 2]" 1
1026 1 72 SER HA 1 77 GLY H 2.900 . 4.600 3.867 2.571 5.168 0.568 1 2 "[+ - . 1 . 2]" 1
1027 1 72 SER HA 1 76 GLU H 3.100 . 5.000 3.036 2.530 3.484 . 0 0 "[ . 1 . 2]" 1
1028 1 72 SER QB 1 78 LYS QD 3.300 . 5.400 3.825 2.133 4.712 . 0 0 "[ . 1 . 2]" 1
1029 1 71 VAL QG 1 72 SER QB 3.800 . 6.000 4.382 4.036 4.792 . 0 0 "[ . 1 . 2]" 1
1030 1 72 SER QB 1 73 PHE H 2.200 . 3.200 2.715 2.141 3.655 0.455 17 0 "[ . 1 . 2]" 1
1031 1 72 SER H 1 72 SER QB 2.000 . 2.800 2.390 2.251 2.718 . 0 0 "[ . 1 . 2]" 1
1032 1 73 PHE H 1 74 LEU QB 5.900 . 6.000 4.485 4.184 4.726 . 0 0 "[ . 1 . 2]" 1
1033 1 73 PHE H 1 74 LEU QD 3.800 . 6.000 4.661 3.522 4.948 . 0 0 "[ . 1 . 2]" 1
1034 1 73 PHE H 1 73 PHE QB 2.600 . 3.900 2.298 2.238 2.386 . 0 0 "[ . 1 . 2]" 1
1035 1 73 PHE H 1 73 PHE HA 2.700 . 4.100 2.882 2.796 2.933 . 0 0 "[ . 1 . 2]" 1
1036 1 73 PHE HA 1 74 LEU H 3.200 . 5.300 3.539 3.461 3.575 . 0 0 "[ . 1 . 2]" 1
1037 1 30 ILE MG 1 74 LEU H 4.300 . 6.000 5.804 5.392 6.324 0.324 3 0 "[ . 1 . 2]" 1
1038 1 74 LEU H 1 75 PHE HA 6.000 . 6.000 5.133 4.954 5.286 . 0 0 "[ . 1 . 2]" 1
1039 1 74 LEU QB 1 75 PHE H . . 4.100 2.600 2.322 2.899 . 0 0 "[ . 1 . 2]" 1
1040 1 74 LEU QD 1 75 PHE HA 2.200 . 6.000 5.101 4.954 5.251 . 0 0 "[ . 1 . 2]" 1
1041 1 30 ILE HA 1 74 LEU QD 2.200 . 6.000 4.878 4.232 5.462 . 0 0 "[ . 1 . 2]" 1
1042 1 42 TRP HB3 1 74 LEU QD 3.300 . 4.300 2.438 2.099 2.677 . 0 0 "[ . 1 . 2]" 1
1043 1 74 LEU QD 1 74 LEU HG 2.200 . 3.200 1.895 1.890 1.898 . 0 0 "[ . 1 . 2]" 1
1044 1 74 LEU QB 1 74 LEU QD 2.200 . 3.100 1.950 1.939 1.969 . 0 0 "[ . 1 . 2]" 1
1045 1 74 LEU H 1 74 LEU QD 4.300 . 6.000 3.183 2.394 3.370 . 0 0 "[ . 1 . 2]" 1
1046 1 74 LEU QD 1 75 PHE H 2.000 . 6.000 4.106 3.884 4.269 . 0 0 "[ . 1 . 2]" 1
1047 1 39 TRP HE3 1 74 LEU QD 2.900 . 4.600 2.383 2.083 2.919 . 0 0 "[ . 1 . 2]" 1
1048 1 38 ALA HA 1 74 LEU QD 2.300 . 6.000 4.175 3.514 5.133 . 0 0 "[ . 1 . 2]" 1
1049 1 42 TRP H 1 74 LEU QD 4.500 . 6.000 3.667 3.049 4.102 . 0 0 "[ . 1 . 2]" 1
1050 1 9 TYR QD 1 74 LEU QD 2.800 . 6.000 4.244 3.435 4.915 . 0 0 "[ . 1 . 2]" 1
1051 1 42 TRP HD1 1 74 LEU QD 3.300 . 5.500 2.336 2.042 2.833 . 0 0 "[ . 1 . 2]" 1
1052 1 30 ILE MG 1 75 PHE H 3.600 . 6.000 5.505 4.513 6.340 0.340 9 0 "[ . 1 . 2]" 1
1053 1 71 VAL QG 1 75 PHE H 4.600 . 6.000 3.708 3.325 4.098 . 0 0 "[ . 1 . 2]" 1
1054 1 75 PHE H 1 75 PHE QB 3.000 . 4.800 2.392 2.267 2.543 . 0 0 "[ . 1 . 2]" 1
1055 1 71 VAL HA 1 75 PHE H 3.600 . 6.000 3.127 2.818 3.657 . 0 0 "[ . 1 . 2]" 1
1056 1 75 PHE H 1 76 GLU HA 5.200 . 6.000 4.368 4.088 4.631 . 0 0 "[ . 1 . 2]" 1
1057 1 75 PHE H 1 76 GLU H 2.900 . 4.600 2.166 1.966 2.412 . 0 0 "[ . 1 . 2]" 1
1058 1 74 LEU H 1 75 PHE H 3.300 . 5.500 2.488 2.257 2.692 . 0 0 "[ . 1 . 2]" 1
1059 1 75 PHE H 1 77 GLY H 5.500 . 6.000 4.806 3.977 5.588 . 0 0 "[ . 1 . 2]" 1
1060 1 75 PHE HA 1 75 PHE QE 4.300 . 6.000 4.550 4.360 4.668 . 0 0 "[ . 1 . 2]" 1
1061 1 74 LEU QB 1 76 GLU H 2.900 . 6.000 4.520 4.146 4.782 . 0 0 "[ . 1 . 2]" 1
1062 1 71 VAL QG 1 76 GLU H 4.600 . 6.000 3.698 3.073 4.156 . 0 0 "[ . 1 . 2]" 1
1063 1 76 GLU H 1 78 LYS QG 4.200 . 6.000 4.452 3.660 5.080 . 0 0 "[ . 1 . 2]" 1
1064 1 76 GLU H 1 78 LYS QD 4.800 . 6.000 6.227 4.817 7.202 1.202 18 9 "[ * ** 1 * .**+*-]" 1
1065 1 76 GLU H 1 76 GLU QB 2.900 . 4.600 2.794 2.638 2.954 . 0 0 "[ . 1 . 2]" 1
1066 1 75 PHE QB 1 76 GLU H 3.200 . 5.200 2.647 2.416 3.150 . 0 0 "[ . 1 . 2]" 1
1067 1 71 VAL HA 1 76 GLU H 5.600 . 6.000 4.261 3.759 4.978 . 0 0 "[ . 1 . 2]" 1
1068 1 75 PHE HA 1 76 GLU H 4.600 . 6.000 3.497 3.337 3.539 . 0 0 "[ . 1 . 2]" 1
1069 1 74 LEU H 1 76 GLU H 3.700 . 6.000 3.799 3.347 4.002 . 0 0 "[ . 1 . 2]" 1
1070 1 76 GLU HA 1 78 LYS QG 3.400 . 5.700 3.981 3.013 5.217 . 0 0 "[ . 1 . 2]" 1
1071 1 76 GLU HA 1 77 GLY HA3 3.800 . 6.000 4.854 4.375 5.343 . 0 0 "[ . 1 . 2]" 1
1072 1 76 GLU HA 1 76 GLU QB 2.600 . 3.900 2.392 2.144 2.491 . 0 0 "[ . 1 . 2]" 1
1073 1 72 SER HA 1 76 GLU QB 2.900 . 6.000 4.656 3.484 5.217 . 0 0 "[ . 1 . 2]" 1
1074 1 76 GLU QB 1 77 GLY H 3.800 . 6.000 3.496 2.089 4.023 . 0 0 "[ . 1 . 2]" 1
1075 1 76 GLU H 1 76 GLU QB 3.000 . 4.800 3.202 2.885 3.431 . 0 0 "[ . 1 . 2]" 1
1076 1 72 SER HA 1 76 GLU QG 3.800 . 6.000 4.501 3.613 5.392 . 0 0 "[ . 1 . 2]" 1
1077 1 76 GLU QG 1 77 GLY H 4.300 . 6.000 4.215 2.614 4.805 . 0 0 "[ . 1 . 2]" 1
1078 1 76 GLU QG 1 78 LYS H 5.500 . 6.000 5.751 4.254 6.856 0.856 10 4 "[ -* *+ . 2]" 1
1079 1 71 VAL QG 1 77 GLY H 4.500 . 6.000 3.677 2.446 5.109 . 0 0 "[ . 1 . 2]" 1
1080 1 77 GLY H 1 78 LYS QG 5.300 . 6.000 3.701 2.908 5.173 . 0 0 "[ . 1 . 2]" 1
1081 1 77 GLY H 1 78 LYS QB 4.400 . 6.000 4.326 3.471 5.340 . 0 0 "[ . 1 . 2]" 1
1082 1 77 GLY H 1 77 GLY HA3 2.600 . 3.900 2.602 2.305 2.951 . 0 0 "[ . 1 . 2]" 1
1083 1 75 PHE QE 1 77 GLY H 5.500 . 6.000 5.178 3.684 8.449 2.449 13 4 "[ * . -1 + . *2]" 1
1084 1 76 GLU H 1 77 GLY H 3.700 . 6.000 3.115 2.605 3.858 . 0 0 "[ . 1 . 2]" 1
1085 1 77 GLY HA3 1 78 LYS QG 5.600 . 6.000 5.020 4.482 5.450 . 0 0 "[ . 1 . 2]" 1
1086 1 77 GLY HA3 1 78 LYS QB 4.700 . 6.000 5.185 4.759 5.546 . 0 0 "[ . 1 . 2]" 1
1087 1 76 GLU H 1 77 GLY HA3 4.800 . 6.000 5.257 4.965 5.979 . 0 0 "[ . 1 . 2]" 1
1088 1 78 LYS H 1 78 LYS QB 2.400 . 3.500 2.882 2.175 3.153 . 0 0 "[ . 1 . 2]" 1
1089 1 78 LYS H 1 78 LYS QE 4.800 . 6.000 4.330 3.324 5.212 . 0 0 "[ . 1 . 2]" 1
1090 1 77 GLY HA3 1 78 LYS H 3.000 . 4.800 3.532 3.452 3.577 . 0 0 "[ . 1 . 2]" 1
1091 1 78 LYS H 1 78 LYS HA 2.400 . 3.500 2.923 2.830 2.944 . 0 0 "[ . 1 . 2]" 1
1092 1 75 PHE QE 1 78 LYS H 1.800 . 6.000 6.404 4.693 8.921 2.921 13 5 "[ * . - *1 + . *2]" 1
1093 1 76 GLU H 1 78 LYS H 5.200 . 6.000 5.034 4.243 5.672 . 0 0 "[ . 1 . 2]" 1
1094 1 78 LYS H 1 79 ASP H 3.500 . 6.000 4.488 4.331 4.587 . 0 0 "[ . 1 . 2]" 1
1095 1 78 LYS HA 1 78 LYS QE 5.200 . 6.000 5.025 3.141 5.652 . 0 0 "[ . 1 . 2]" 1
1096 1 78 LYS HA 1 78 LYS QB 2.400 . 3.600 2.210 2.147 2.515 . 0 0 "[ . 1 . 2]" 1
1097 1 72 SER QB 1 78 LYS QB 4.200 . 6.000 4.452 2.841 5.775 . 0 0 "[ . 1 . 2]" 1
1098 1 71 VAL HB 1 78 LYS QB 2.800 . 4.400 3.241 2.291 4.379 . 0 0 "[ . 1 . 2]" 1
1099 1 78 LYS QB 1 79 ASP H . . 3.700 2.650 2.074 3.239 . 0 0 "[ . 1 . 2]" 1
1100 1 78 LYS HA 1 78 LYS QD 4.200 . 6.000 3.735 1.874 4.260 . 0 0 "[ . 1 . 2]" 1
1101 1 78 LYS QD 1 78 LYS QE 1.900 . 2.600 2.044 1.996 2.094 . 0 0 "[ . 1 . 2]" 1
1102 1 78 LYS QD 1 79 ASP H 3.700 . 6.000 3.747 2.605 5.128 . 0 0 "[ . 1 . 2]" 1
1103 1 79 ASP H 1 79 ASP HA 2.500 . 3.800 2.923 2.813 2.949 . 0 0 "[ . 1 . 2]" 1
1104 1 78 LYS HA 1 79 ASP H 2.200 . 3.200 2.307 2.077 2.572 . 0 0 "[ . 1 . 2]" 1
1105 1 78 LYS QE 1 79 ASP HA 3.000 . 4.800 5.522 4.584 6.574 1.774 11 15 "[****. -***+** . ****]" 1
1106 1 78 LYS QB 1 79 ASP HA 3.100 . 5.000 4.396 3.982 4.715 . 0 0 "[ . 1 . 2]" 1
1107 1 80 VAL H 1 80 VAL QG 2.600 . 4.000 2.069 1.878 2.476 . 0 0 "[ . 1 . 2]" 1
1108 1 80 VAL H 1 80 VAL HB 2.800 . 4.400 2.605 2.534 2.739 . 0 0 "[ . 1 . 2]" 1
1109 1 79 ASP HA 1 80 VAL H 2.700 . 4.100 3.357 3.087 3.548 . 0 0 "[ . 1 . 2]" 1
1110 1 80 VAL HA 1 81 HIS QB 4.000 . 6.000 4.295 3.986 4.633 . 0 0 "[ . 1 . 2]" 1
1111 1 68 GLN QG 1 80 VAL HA 3.500 . 5.900 5.339 4.903 6.009 0.109 7 0 "[ . 1 . 2]" 1
1112 1 80 VAL HA 1 80 VAL HB 2.300 . 3.300 3.023 3.008 3.032 . 0 0 "[ . 1 . 2]" 1
1113 1 80 VAL HA 1 85 TYR H 3.900 . 6.000 10.637 6.699 13.822 7.822 5 20 [****+-**************] 1
1114 1 80 VAL HA 1 81 HIS H 2.600 . 4.000 2.153 2.108 2.306 . 0 0 "[ . 1 . 2]" 1
1115 1 80 VAL HB 1 85 TYR HA 3.200 . 5.300 11.164 6.829 13.536 8.236 4 20 [***+*-**************] 1
1116 1 80 VAL QG 1 81 HIS H 4.600 . 6.000 2.815 2.154 3.309 . 0 0 "[ . 1 . 2]" 1
1117 1 81 HIS H 1 82 ILE QG 5.800 . 6.000 5.055 4.664 5.551 . 0 0 "[ . 1 . 2]" 1
1118 1 80 VAL HB 1 81 HIS H 3.900 . 6.000 4.211 3.745 4.344 . 0 0 "[ . 1 . 2]" 1
1119 1 81 HIS H 1 81 HIS QB 3.000 . 4.800 2.340 2.058 2.658 . 0 0 "[ . 1 . 2]" 1
1120 1 81 HIS H 1 85 TYR H 4.100 . 6.000 9.087 5.052 12.844 6.844 5 17 "[****+ ** ******** -*]" 1
1121 1 81 HIS HA 1 82 ILE HB 3.900 . 6.000 4.768 4.673 4.918 . 0 0 "[ . 1 . 2]" 1
1122 1 81 HIS HA 1 82 ILE H 2.400 . 3.500 2.179 2.122 2.290 . 0 0 "[ . 1 . 2]" 1
1123 1 81 HIS HA 1 81 HIS QB 2.600 . 4.000 2.393 2.176 2.542 . 0 0 "[ . 1 . 2]" 1
1124 1 81 HIS QB 1 86 THR H 4.200 . 6.000 7.190 3.587 10.747 4.747 5 13 "[****+ * 1**-** ** 2]" 1
1125 1 82 ILE H 1 82 ILE MD 4.100 . 6.000 3.692 3.225 3.917 . 0 0 "[ . 1 . 2]" 1
1126 1 82 ILE H 1 82 ILE QG . . 3.500 2.220 1.979 2.464 . 0 0 "[ . 1 . 2]" 1
1127 1 82 ILE H 1 82 ILE HB 3.000 . 4.800 2.647 2.531 2.729 . 0 0 "[ . 1 . 2]" 1
1128 1 69 GLU QB 1 82 ILE H 6.000 . 6.000 6.667 5.947 7.705 1.705 11 11 "[** *.* *+**-.* *]" 1
1129 1 82 ILE H 1 84 GLY H 4.200 . 6.000 5.398 3.685 7.289 1.289 12 1 "[ . 1 + . 2]" 1
1130 1 82 ILE HB 1 82 ILE MD 2.500 . 3.800 2.532 2.413 3.236 . 0 0 "[ . 1 . 2]" 1
1131 1 73 PHE QE 1 82 ILE MD 2.800 . 4.400 8.563 7.925 9.560 5.160 5 20 [****+****-**********] 1
1132 1 82 ILE HA 1 82 ILE QG 3.000 . 4.800 2.543 2.426 2.979 . 0 0 "[ . 1 . 2]" 1
1133 1 82 ILE HA 1 82 ILE MG 2.700 . 4.200 2.314 2.267 2.372 . 0 0 "[ . 1 . 2]" 1
1134 1 81 HIS HA 1 82 ILE MG 6.000 . 6.000 5.439 5.279 5.521 . 0 0 "[ . 1 . 2]" 1
1135 1 82 ILE HB 1 82 ILE MG 2.400 . 3.600 2.131 2.127 2.135 . 0 0 "[ . 1 . 2]" 1
1136 1 82 ILE MG 1 83 GLU H 3.300 . 5.400 3.225 2.546 3.615 . 0 0 "[ . 1 . 2]" 1
1137 1 82 ILE QG 1 83 GLU H 4.400 . 6.000 4.420 4.178 4.799 . 0 0 "[ . 1 . 2]" 1
1138 1 81 HIS QB 1 83 GLU H 5.700 . 6.000 4.421 3.449 5.516 . 0 0 "[ . 1 . 2]" 1
1139 1 82 ILE HA 1 83 GLU H 2.200 . 3.200 2.195 2.103 2.317 . 0 0 "[ . 1 . 2]" 1
1140 1 82 ILE MD 1 84 GLY H 2.400 . 6.000 4.225 2.311 5.712 . 0 0 "[ . 1 . 2]" 1
1141 1 83 GLU HB3 1 84 GLY H 3.300 . 5.500 3.807 2.117 4.614 . 0 0 "[ . 1 . 2]" 1
1142 1 84 GLY H 1 85 TYR QB 5.600 . 6.000 5.399 3.744 6.281 0.281 7 0 "[ . 1 . 2]" 1
1143 1 84 GLY H 1 85 TYR HA 5.200 . 6.000 5.129 4.262 6.268 0.268 4 0 "[ . 1 . 2]" 1
1144 1 84 GLY H 1 85 TYR H 3.000 . 4.800 3.879 2.198 4.559 . 0 0 "[ . 1 . 2]" 1
1145 1 85 TYR H 1 85 TYR QB 2.800 . 4.400 2.784 2.215 3.381 . 0 0 "[ . 1 . 2]" 1
1146 1 84 GLY QA 1 85 TYR H 2.400 . 3.600 2.283 2.092 2.857 . 0 0 "[ . 1 . 2]" 1
1147 1 86 THR H 1 86 THR MG 3.900 . 6.000 3.013 1.938 3.944 . 0 0 "[ . 1 . 2]" 1
1148 1 85 TYR QB 1 86 THR H 3.500 . 6.000 3.151 1.802 3.996 . 0 0 "[ . 1 . 2]" 1
1149 1 86 THR H 1 87 PRO HD3 4.200 . 6.000 4.275 3.455 4.976 . 0 0 "[ . 1 . 2]" 1
1150 1 80 VAL HA 1 86 THR H 2.900 . 4.600 10.174 6.020 14.085 9.485 5 20 [****+-**************] 1
1151 1 85 TYR HA 1 86 THR H 2.300 . 3.400 2.464 2.134 3.302 . 0 0 "[ . 1 . 2]" 1
1152 1 85 TYR QE 1 86 THR H 3.400 . 5.700 5.801 4.602 6.705 1.005 19 5 "[ . 1 * .** +-]" 1
1153 1 86 THR MG 1 88 GLU H 4.100 . 6.000 4.389 1.921 6.086 0.086 7 0 "[ . 1 . 2]" 1
1154 1 87 PRO HD3 1 88 GLU H 2.700 . 6.000 4.723 3.533 5.825 . 0 0 "[ . 1 . 2]" 1
1155 1 87 PRO HA 1 88 GLU H 2.500 . 3.700 2.873 2.140 3.586 . 0 0 "[ . 1 . 2]" 1
1156 1 90 LYS H 1 90 LYS HB3 3.300 . 5.500 3.124 2.367 3.827 . 0 0 "[ . 1 . 2]" 1
1157 1 89 ASP HB3 1 90 LYS H 3.200 . 5.300 3.532 2.080 4.495 . 0 0 "[ . 1 . 2]" 1
1158 1 90 LYS H 1 90 LYS HA 2.300 . 3.400 2.903 2.839 2.945 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 886
_Distance_constraint_stats_list.Viol_count 713
_Distance_constraint_stats_list.Viol_total 7106.782
_Distance_constraint_stats_list.Viol_max 3.377
_Distance_constraint_stats_list.Viol_rms 0.1455
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0201
_Distance_constraint_stats_list.Viol_average_violations_only 0.4984
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ARG 0.109 0.109 18 0 "[ . 1 . 2]"
1 4 THR 0.022 0.022 10 0 "[ . 1 . 2]"
1 5 ILE 0.460 0.460 9 0 "[ . 1 . 2]"
1 6 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 CYS 1.362 0.403 16 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 TYR 11.227 0.927 5 3 "[ +* 1 - . 2]"
1 10 LEU 1.184 0.403 16 0 "[ . 1 . 2]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ARG 0.639 0.460 9 0 "[ . 1 . 2]"
1 13 ASP 0.178 0.110 3 0 "[ . 1 . 2]"
1 14 ALA 1.247 0.403 16 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.130 0.109 18 0 "[ . 1 . 2]"
1 17 GLN 29.838 1.440 15 19 "[************* +*-***]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 PHE 3.614 0.969 15 4 "[ - * * 1 + 2]"
1 20 GLN 35.940 2.818 8 18 [**-*.**+***********2]
1 21 LEU 12.265 1.841 20 10 "[ - * ***1* * ** +]"
1 22 TYR 3.148 0.782 20 1 "[ . 1 . +]"
1 23 PRO 16.003 1.341 20 9 "[** . -* 1* * .* *+]"
1 24 GLY 8.082 1.841 20 6 "[ . **1* . -* +]"
1 25 GLU 7.717 1.040 18 9 "[** * *1 ** . *+ -]"
1 26 LEU 14.895 1.040 18 10 "[** * *1 ***. *+ -]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 30.687 1.841 20 14 "[** * -**1*** * ***+]"
1 29 ARG 4.609 0.869 1 4 "[+ . 1 * *. * 2]"
1 30 ILE 13.067 0.869 1 4 "[+ - . 1 *. * 2]"
1 31 TYR 15.779 1.028 13 13 "[** ** -**1**+ . * **]"
1 32 ASN 37.801 2.818 8 18 [**-*.**+***********2]
1 33 GLU 1.171 0.630 12 1 "[ . 1 + . 2]"
1 34 ILE 19.006 0.955 8 19 [**-****+***********2]
1 35 SER 2.533 0.767 12 1 "[ . 1 + . 2]"
1 36 LYS 36.083 1.440 15 19 [*-************+****2]
1 37 ASP 0.678 0.181 7 0 "[ . 1 . 2]"
1 38 ALA 5.238 0.927 5 3 "[ +* 1 - . 2]"
1 39 TRP 10.964 1.028 13 7 "[ * ** *1 + . - *2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLN 0.482 0.176 4 0 "[ . 1 . 2]"
1 42 TRP 71.945 3.377 16 20 [**-************+****]
1 43 GLN 1.845 0.950 9 2 "[ . +1 - 2]"
1 44 HIS 2.953 0.741 17 3 "[ - .* 1 . + 2]"
1 45 LYS 2.723 0.741 17 3 "[ - .* 1 . + 2]"
1 46 GLN 12.843 0.955 4 6 "[ *-+** 1 .* 2]"
1 47 THR 0.542 0.239 11 0 "[ . 1 . 2]"
1 48 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LEU 0.231 0.231 20 0 "[ . 1 . 2]"
1 50 ILE 7.234 0.950 9 8 "[* * +1 * *-** 2]"
1 51 ASN 1.578 0.596 12 1 "[ . 1 + . 2]"
1 52 GLU 0.171 0.105 2 0 "[ . 1 . 2]"
1 53 LYS 14.297 1.395 10 11 "[*** .* +-* *.*** 2]"
1 54 LYS 0.683 0.596 12 1 "[ . 1 + . 2]"
1 55 LEU 8.268 0.629 9 4 "[ * +1 - .* 2]"
1 56 ASN 0.416 0.187 20 0 "[ . 1 . 2]"
1 57 MET 8.702 1.395 10 5 "[ . *+- .* * 2]"
1 58 MET 6.877 1.562 16 4 "[ . 1 -.+ **2]"
1 59 ASN 9.030 1.562 16 5 "[ . -1 *.+ **2]"
1 60 ALA 0.447 0.447 10 0 "[ . 1 . 2]"
1 61 GLU 5.954 0.490 19 0 "[ . 1 . 2]"
1 62 HIS 6.935 0.637 2 3 "[ +- . 1 .* 2]"
1 63 ARG 0.047 0.031 17 0 "[ . 1 . 2]"
1 64 LYS 10.400 1.395 10 4 "[ . +- .* * 2]"
1 65 LEU 32.708 1.783 13 14 "[**-** ** ***+ ** *2]"
1 66 LEU 22.659 3.377 16 12 "[* * *****1 -+ ***]"
1 67 GLU 13.508 1.562 16 5 "[ . 1 *.+ *-*]"
1 68 GLN 39.776 1.877 15 20 [**************+-****]
1 69 GLU 29.651 1.877 15 20 [*****-********+*****]
1 70 MET 13.631 1.562 16 5 "[ . 1 *.+ ***]"
1 71 VAL 5.241 0.631 10 1 "[ . + . 2]"
1 72 SER 72.262 2.334 5 20 [-***+***************]
1 73 PHE 56.026 3.377 16 20 [*-*************+****]
1 74 LEU 20.809 0.955 8 19 [*******+*******-***2]
1 75 PHE 9.761 1.109 8 8 "[*- *.* +*1 * . * 2]"
1 76 GLU 35.305 2.818 8 18 [**-*.**+***********2]
1 77 GLY 15.165 1.757 20 13 "[*-* * ***1** * **+]"
1 78 LYS 40.118 1.877 15 20 [********-*****+*****]
1 79 ASP 0.677 0.396 7 0 "[ . 1 . 2]"
1 80 VAL 63.305 1.787 2 19 "[-+************** ***]"
1 81 HIS 22.043 2.334 5 14 "[****+ * ******* - 2]"
1 82 ILE 25.655 1.757 20 14 "[*-*** ***1** * **+]"
1 83 GLU 44.685 1.877 15 20 [-*************+*****]
1 84 GLY 21.547 2.334 5 14 "[****+ * ******* - 2]"
1 85 TYR 24.942 1.787 2 17 "[-+ ************* * *]"
1 86 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ARG H 1 3 ARG HA 2.600 . 3.900 2.116 2.064 2.155 . 0 0 "[ . 1 . 2]" 2
2 1 3 ARG H 1 3 ARG HB3 3.400 . 5.700 2.669 2.387 3.235 . 0 0 "[ . 1 . 2]" 2
3 1 3 ARG HA 1 3 ARG HB2 2.500 . 3.800 2.463 2.414 2.520 . 0 0 "[ . 1 . 2]" 2
4 1 3 ARG HB2 1 3 ARG QD 2.800 . 4.400 2.282 2.069 2.797 . 0 0 "[ . 1 . 2]" 2
5 1 3 ARG H 1 3 ARG HB2 3.600 . 6.000 2.941 2.550 3.429 . 0 0 "[ . 1 . 2]" 2
6 1 3 ARG H 1 3 ARG QG 3.400 . 5.700 3.037 1.976 3.554 . 0 0 "[ . 1 . 2]" 2
7 1 4 THR HA 1 13 ASP HB2 4.900 . 6.000 4.770 3.908 5.922 . 0 0 "[ . 1 . 2]" 2
8 1 3 ARG QG 1 4 THR HA 5.300 . 6.000 4.320 3.982 4.637 . 0 0 "[ . 1 . 2]" 2
9 1 3 ARG HB3 1 4 THR HA 6.000 . 6.000 5.155 4.759 5.974 . 0 0 "[ . 1 . 2]" 2
10 1 4 THR MG 1 13 ASP HB2 3.500 . 6.000 3.486 1.911 5.178 . 0 0 "[ . 1 . 2]" 2
11 1 5 ILE H 1 14 ALA MB 4.000 . 6.000 4.025 3.718 4.349 . 0 0 "[ . 1 . 2]" 2
12 1 5 ILE H 1 13 ASP HB2 5.400 . 6.000 5.155 4.139 5.876 . 0 0 "[ . 1 . 2]" 2
13 1 4 THR HA 1 5 ILE HB 2.900 . 4.500 2.525 2.433 2.576 . 0 0 "[ . 1 . 2]" 2
14 1 5 ILE MD 1 6 PHE HA 2.900 . 4.600 2.503 2.336 2.648 . 0 0 "[ . 1 . 2]" 2
15 1 5 ILE MD 1 8 THR HA 4.600 . 6.000 5.158 4.636 5.392 . 0 0 "[ . 1 . 2]" 2
16 1 5 ILE MD 1 13 ASP HB2 5.400 . 6.000 4.103 3.479 4.598 . 0 0 "[ . 1 . 2]" 2
17 1 5 ILE MD 1 17 GLN QB 5.900 . 6.000 5.106 3.876 5.881 . 0 0 "[ . 1 . 2]" 2
18 1 5 ILE MD 1 7 CYS QB 3.300 . 5.400 2.713 2.429 3.662 . 0 0 "[ . 1 . 2]" 2
19 1 3 ARG QG 1 5 ILE MD 3.800 . 6.000 2.594 2.028 3.368 . 0 0 "[ . 1 . 2]" 2
20 1 5 ILE MD 1 6 PHE H 3.800 . 6.000 3.218 2.965 3.564 . 0 0 "[ . 1 . 2]" 2
21 1 3 ARG QG 1 5 ILE QG 2.400 . 6.000 3.824 2.958 4.776 . 0 0 "[ . 1 . 2]" 2
22 1 4 THR HA 1 5 ILE MG 2.800 . 4.300 2.261 2.228 2.350 . 0 0 "[ . 1 . 2]" 2
23 1 3 ARG HE 1 5 ILE MG 3.900 . 6.000 3.872 2.373 5.722 . 0 0 "[ . 1 . 2]" 2
24 1 6 PHE H 1 8 THR H 5.100 . 6.000 4.789 4.659 5.048 . 0 0 "[ . 1 . 2]" 2
25 1 6 PHE HA 1 11 GLN HB3 3.800 . 6.000 4.921 4.137 5.476 . 0 0 "[ . 1 . 2]" 2
26 1 6 PHE HA 1 6 PHE QE 3.700 . 6.000 3.911 3.638 4.162 . 0 0 "[ . 1 . 2]" 2
27 1 6 PHE HA 1 6 PHE HB3 2.900 . 4.600 2.577 2.446 3.011 . 0 0 "[ . 1 . 2]" 2
28 1 5 ILE MD 1 7 CYS H 4.300 . 6.000 2.855 2.609 3.201 . 0 0 "[ . 1 . 2]" 2
29 1 7 CYS H 1 10 LEU HB2 4.300 . 6.000 3.796 3.509 4.262 . 0 0 "[ . 1 . 2]" 2
30 1 7 CYS H 1 14 ALA MB 3.900 . 6.000 3.178 2.428 4.251 . 0 0 "[ . 1 . 2]" 2
31 1 7 CYS H 1 8 THR HA 5.000 . 6.000 4.615 4.136 5.179 . 0 0 "[ . 1 . 2]" 2
32 1 7 CYS H 1 11 GLN H 4.500 . 6.000 4.283 3.877 4.567 . 0 0 "[ . 1 . 2]" 2
33 1 7 CYS H 1 8 THR H 4.700 . 6.000 3.501 3.115 3.729 . 0 0 "[ . 1 . 2]" 2
34 1 7 CYS HA 1 8 THR HB 6.000 . 6.000 5.341 4.740 5.440 . 0 0 "[ . 1 . 2]" 2
35 1 5 ILE HB 1 7 CYS HA 4.500 . 6.000 3.578 2.492 4.071 . 0 0 "[ . 1 . 2]" 2
36 1 7 CYS HA 1 14 ALA MB 4.100 . 6.000 3.407 3.063 3.787 . 0 0 "[ . 1 . 2]" 2
37 1 5 ILE QG 1 7 CYS HA 3.500 . 6.000 3.883 3.284 4.185 . 0 0 "[ . 1 . 2]" 2
38 1 5 ILE MD 1 7 CYS HA 3.300 . 5.400 2.548 2.341 2.700 . 0 0 "[ . 1 . 2]" 2
39 1 7 CYS QB 1 8 THR HA 2.900 . 4.600 2.885 2.139 3.850 . 0 0 "[ . 1 . 2]" 2
40 1 7 CYS QB 1 10 LEU HB2 4.300 . 6.000 2.338 1.830 3.943 . 0 0 "[ . 1 . 2]" 2
41 1 7 CYS QB 1 14 ALA MB 3.100 . 5.000 2.423 1.929 3.421 . 0 0 "[ . 1 . 2]" 2
42 1 5 ILE MD 1 7 CYS QB 3.900 . 6.000 2.558 2.270 2.977 . 0 0 "[ . 1 . 2]" 2
43 1 7 CYS QB 1 11 GLN H 4.700 . 6.000 3.347 2.331 4.086 . 0 0 "[ . 1 . 2]" 2
44 1 7 CYS QB 1 10 LEU HB2 4.500 . 6.000 2.263 1.813 3.593 . 0 0 "[ . 1 . 2]" 2
45 1 7 CYS QB 1 14 ALA MB 3.500 . 6.000 2.407 1.926 3.351 . 0 0 "[ . 1 . 2]" 2
46 1 5 ILE MD 1 7 CYS QB 4.400 . 6.000 2.592 2.277 3.232 . 0 0 "[ . 1 . 2]" 2
47 1 7 CYS QB 1 11 GLN H 3.000 . 4.800 3.331 2.329 4.059 . 0 0 "[ . 1 . 2]" 2
48 1 5 ILE MD 1 8 THR H 4.000 . 6.000 3.139 2.607 3.499 . 0 0 "[ . 1 . 2]" 2
49 1 8 THR H 1 11 GLN HB3 6.000 . 6.000 2.961 2.332 3.361 . 0 0 "[ . 1 . 2]" 2
50 1 8 THR H 1 9 TYR HB2 4.900 . 6.000 5.078 4.828 5.269 . 0 0 "[ . 1 . 2]" 2
51 1 8 THR H 1 8 THR HB 3.300 . 5.400 3.403 2.628 3.509 . 0 0 "[ . 1 . 2]" 2
52 1 6 PHE HA 1 8 THR H 2.800 . 4.400 2.178 2.124 2.248 . 0 0 "[ . 1 . 2]" 2
53 1 6 PHE H 1 8 THR H 5.600 . 6.000 4.603 4.235 5.408 . 0 0 "[ . 1 . 2]" 2
54 1 6 PHE HA 1 8 THR HA 4.900 . 6.000 4.254 4.214 4.299 . 0 0 "[ . 1 . 2]" 2
55 1 8 THR HA 1 8 THR HB 2.800 . 4.400 2.625 2.550 2.989 . 0 0 "[ . 1 . 2]" 2
56 1 8 THR HA 1 9 TYR HB2 4.100 . 6.000 5.546 5.316 5.770 . 0 0 "[ . 1 . 2]" 2
57 1 8 THR HA 1 30 ILE MG 4.700 . 6.000 4.983 4.542 5.422 . 0 0 "[ . 1 . 2]" 2
58 1 6 PHE HA 1 8 THR HB 4.100 . 6.000 5.527 4.796 5.641 . 0 0 "[ . 1 . 2]" 2
59 1 8 THR HB 1 9 TYR HB2 4.900 . 6.000 4.265 3.698 4.955 . 0 0 "[ . 1 . 2]" 2
60 1 5 ILE MD 1 8 THR HB 3.700 . 6.000 4.099 3.161 4.653 . 0 0 "[ . 1 . 2]" 2
61 1 6 PHE HA 1 8 THR HG1 4.300 . 6.000 5.193 4.743 5.332 . 0 0 "[ . 1 . 2]" 2
62 1 8 THR HA 1 8 THR HG1 3.100 . 5.000 3.673 3.530 3.991 . 0 0 "[ . 1 . 2]" 2
63 1 8 THR HG1 1 11 GLN HA 5.100 . 6.000 4.374 3.567 5.093 . 0 0 "[ . 1 . 2]" 2
64 1 8 THR HG1 1 9 TYR HB2 4.500 . 6.000 3.759 3.294 4.657 . 0 0 "[ . 1 . 2]" 2
65 1 8 THR HG1 1 30 ILE MG 4.000 . 6.000 2.876 2.351 4.571 . 0 0 "[ . 1 . 2]" 2
66 1 9 TYR H 1 34 ILE MD 3.800 . 6.000 2.702 2.353 3.156 . 0 0 "[ . 1 . 2]" 2
67 1 9 TYR H 1 12 ARG QG 4.500 . 6.000 5.058 4.617 5.606 . 0 0 "[ . 1 . 2]" 2
68 1 9 TYR H 1 14 ALA MB 4.100 . 6.000 4.271 3.813 4.889 . 0 0 "[ . 1 . 2]" 2
69 1 8 THR HA 1 9 TYR H 3.800 . 6.000 3.507 3.413 3.557 . 0 0 "[ . 1 . 2]" 2
70 1 6 PHE HA 1 9 TYR H 4.600 . 6.000 4.114 3.897 4.460 . 0 0 "[ . 1 . 2]" 2
71 1 8 THR HA 1 9 TYR HA 3.000 . 4.800 4.303 3.720 4.548 . 0 0 "[ . 1 . 2]" 2
72 1 9 TYR HA 1 10 LEU HB2 3.900 . 6.000 5.783 5.615 5.893 . 0 0 "[ . 1 . 2]" 2
73 1 9 TYR HA 1 11 GLN H 3.800 . 6.000 4.455 4.222 4.650 . 0 0 "[ . 1 . 2]" 2
74 1 9 TYR HA 1 14 ALA MB 4.000 . 6.000 5.112 4.572 5.861 . 0 0 "[ . 1 . 2]" 2
75 1 9 TYR HA 1 34 ILE MD 4.000 . 6.000 4.251 3.709 4.787 . 0 0 "[ . 1 . 2]" 2
76 1 5 ILE MD 1 10 LEU H 5.700 . 6.000 4.146 3.746 4.608 . 0 0 "[ . 1 . 2]" 2
77 1 10 LEU H 1 10 LEU HB2 3.000 . 4.800 2.487 2.292 2.600 . 0 0 "[ . 1 . 2]" 2
78 1 10 LEU H 1 14 ALA MB 3.800 . 6.000 4.175 3.697 4.695 . 0 0 "[ . 1 . 2]" 2
79 1 7 CYS QB 1 10 LEU H 5.500 . 6.000 2.789 2.275 3.145 . 0 0 "[ . 1 . 2]" 2
80 1 8 THR HB 1 10 LEU H 4.300 . 6.000 3.472 3.355 3.542 . 0 0 "[ . 1 . 2]" 2
81 1 6 PHE HA 1 10 LEU H 6.000 . 6.000 5.195 4.527 5.831 . 0 0 "[ . 1 . 2]" 2
82 1 10 LEU HA 1 10 LEU HB2 2.800 . 4.400 2.664 2.316 2.767 . 0 0 "[ . 1 . 2]" 2
83 1 10 LEU HA 1 11 GLN H 3.400 . 5.700 3.465 3.407 3.502 . 0 0 "[ . 1 . 2]" 2
84 1 7 CYS QB 1 10 LEU HB3 6.000 . 6.000 3.917 3.339 5.416 . 0 0 "[ . 1 . 2]" 2
85 1 10 LEU HB3 1 11 GLN QG 3.700 . 6.000 5.232 4.686 5.569 . 0 0 "[ . 1 . 2]" 2
86 1 7 CYS QB 1 10 LEU HB3 3.700 . 6.000 3.513 2.647 5.002 . 0 0 "[ . 1 . 2]" 2
87 1 7 CYS HA 1 10 LEU HB3 6.000 . 6.000 5.860 5.216 6.403 0.403 16 0 "[ . 1 . 2]" 2
88 1 10 LEU HB2 1 11 GLN H 2.900 . 4.600 2.936 2.740 3.119 . 0 0 "[ . 1 . 2]" 2
89 1 55 LEU H 1 55 LEU QB 3.200 . 5.200 2.767 2.443 3.096 . 0 0 "[ . 1 . 2]" 2
90 1 6 PHE HA 1 10 LEU QD 3.700 . 6.000 3.799 3.415 4.209 . 0 0 "[ . 1 . 2]" 2
91 1 7 CYS QB 1 10 LEU QD 3.800 . 6.000 2.653 2.197 3.826 . 0 0 "[ . 1 . 2]" 2
92 1 10 LEU QD 1 34 ILE HB 3.400 . 5.800 3.354 2.038 5.024 . 0 0 "[ . 1 . 2]" 2
93 1 10 LEU QD 1 11 GLN H 4.400 . 6.000 3.836 3.484 4.106 . 0 0 "[ . 1 . 2]" 2
94 1 10 LEU QD 1 34 ILE H 3.100 . 5.000 3.386 2.696 4.136 . 0 0 "[ . 1 . 2]" 2
95 1 10 LEU HB2 1 11 GLN H 3.300 . 5.500 2.920 2.732 3.104 . 0 0 "[ . 1 . 2]" 2
96 1 8 THR HB 1 11 GLN H 4.700 . 6.000 4.320 4.121 4.502 . 0 0 "[ . 1 . 2]" 2
97 1 8 THR HA 1 11 GLN H 4.200 . 6.000 3.757 3.113 4.160 . 0 0 "[ . 1 . 2]" 2
98 1 6 PHE HA 1 11 GLN H 5.400 . 6.000 5.377 4.874 5.701 . 0 0 "[ . 1 . 2]" 2
99 1 11 GLN H 1 11 GLN QE 3.600 . 6.000 3.177 2.638 4.568 . 0 0 "[ . 1 . 2]" 2
100 1 10 LEU HB2 1 11 GLN HA 6.000 . 6.000 4.344 4.090 4.560 . 0 0 "[ . 1 . 2]" 2
101 1 5 ILE MD 1 12 ARG H 5.500 . 6.000 5.563 5.171 6.460 0.460 9 0 "[ . 1 . 2]" 2
102 1 10 LEU HB3 1 12 ARG H 2.700 . 4.100 2.706 2.330 3.128 . 0 0 "[ . 1 . 2]" 2
103 1 10 LEU HB2 1 12 ARG H 3.300 . 5.400 2.423 2.063 2.691 . 0 0 "[ . 1 . 2]" 2
104 1 12 ARG QB 1 12 ARG HD3 2.700 . 4.100 2.500 2.290 2.963 . 0 0 "[ . 1 . 2]" 2
105 1 11 GLN H 1 12 ARG QB 3.400 . 5.700 2.185 1.888 3.296 . 0 0 "[ . 1 . 2]" 2
106 1 10 LEU HA 1 12 ARG QB 5.200 . 6.000 4.809 4.140 5.508 . 0 0 "[ . 1 . 2]" 2
107 1 10 LEU HB2 1 12 ARG HD3 3.300 . 5.500 2.550 2.290 3.265 . 0 0 "[ . 1 . 2]" 2
108 1 11 GLN H 1 12 ARG QG 3.800 . 6.000 3.378 2.197 3.802 . 0 0 "[ . 1 . 2]" 2
109 1 7 CYS QB 1 12 ARG QG 2.200 . 3.200 2.309 2.166 2.393 . 0 0 "[ . 1 . 2]" 2
110 1 7 CYS QB 1 13 ASP H 3.100 . 5.000 4.547 2.306 5.110 0.110 3 0 "[ . 1 . 2]" 2
111 1 6 PHE QD 1 13 ASP H 2.000 . 6.000 3.981 3.225 4.859 . 0 0 "[ . 1 . 2]" 2
112 1 6 PHE HA 1 13 ASP HA 2.700 . 4.100 2.812 2.256 3.261 . 0 0 "[ . 1 . 2]" 2
113 1 10 LEU HB2 1 13 ASP HA 4.700 . 6.000 4.271 4.030 4.595 . 0 0 "[ . 1 . 2]" 2
114 1 6 PHE QD 1 13 ASP HA 2.100 . 6.000 3.594 2.823 4.236 . 0 0 "[ . 1 . 2]" 2
115 1 6 PHE QE 1 13 ASP HA 2.500 . 6.000 4.088 3.522 4.753 . 0 0 "[ . 1 . 2]" 2
116 1 5 ILE QG 1 14 ALA H 4.400 . 6.000 3.860 2.792 4.362 . 0 0 "[ . 1 . 2]" 2
117 1 6 PHE QE 1 14 ALA H 3.200 . 6.000 5.177 4.779 5.496 . 0 0 "[ . 1 . 2]" 2
118 1 13 ASP H 1 14 ALA H 5.100 . 6.000 3.944 3.882 3.983 . 0 0 "[ . 1 . 2]" 2
119 1 13 ASP HB2 1 14 ALA HA 3.900 . 6.000 4.577 3.465 5.459 . 0 0 "[ . 1 . 2]" 2
120 1 5 ILE MD 1 14 ALA HA 5.900 . 6.000 4.715 4.248 5.662 . 0 0 "[ . 1 . 2]" 2
121 1 4 THR MG 1 14 ALA HA 4.200 . 6.000 4.183 2.965 5.378 . 0 0 "[ . 1 . 2]" 2
122 1 5 ILE MG 1 14 ALA MB 3.700 . 6.000 5.228 4.571 5.812 . 0 0 "[ . 1 . 2]" 2
123 1 5 ILE MD 1 14 ALA MB 3.100 . 5.000 2.613 2.029 3.439 . 0 0 "[ . 1 . 2]" 2
124 1 8 THR H 1 14 ALA MB 3.000 . 4.800 2.615 2.480 2.739 . 0 0 "[ . 1 . 2]" 2
125 1 5 ILE H 1 14 ALA MB 4.200 . 6.000 3.813 3.564 4.107 . 0 0 "[ . 1 . 2]" 2
126 1 5 ILE QG 1 15 GLU H 3.400 . 5.700 4.610 3.858 5.448 . 0 0 "[ . 1 . 2]" 2
127 1 7 CYS QB 1 15 GLU H 5.500 . 6.000 4.964 4.405 5.719 . 0 0 "[ . 1 . 2]" 2
128 1 15 GLU H 1 17 GLN HA 3.900 . 6.000 3.355 2.601 3.997 . 0 0 "[ . 1 . 2]" 2
129 1 14 ALA HA 1 15 GLU H 2.800 . 4.400 2.382 2.271 2.447 . 0 0 "[ . 1 . 2]" 2
130 1 5 ILE H 1 15 GLU H 4.500 . 6.000 4.512 4.072 4.700 . 0 0 "[ . 1 . 2]" 2
131 1 15 GLU HA 1 16 GLY HA2 4.300 . 6.000 4.241 4.012 4.420 . 0 0 "[ . 1 . 2]" 2
132 1 3 ARG QG 1 15 GLU HA 4.000 . 6.000 3.888 3.462 4.124 . 0 0 "[ . 1 . 2]" 2
133 1 5 ILE H 1 15 GLU HA 3.300 . 5.400 3.560 3.276 4.123 . 0 0 "[ . 1 . 2]" 2
134 1 15 GLU HA 1 15 GLU QB 2.400 . 3.500 2.274 2.171 2.394 . 0 0 "[ . 1 . 2]" 2
135 1 33 GLU HA 1 33 GLU QG 3.200 . 5.200 2.699 2.345 3.293 . 0 0 "[ . 1 . 2]" 2
136 1 15 GLU HA 1 15 GLU HG3 2.700 . 4.200 3.015 2.407 3.636 . 0 0 "[ . 1 . 2]" 2
137 1 15 GLU HG3 1 16 GLY HA2 4.800 . 6.000 3.834 2.637 5.084 . 0 0 "[ . 1 . 2]" 2
138 1 15 GLU HG3 1 36 LYS QG 5.000 . 6.000 4.250 2.321 5.507 . 0 0 "[ . 1 . 2]" 2
139 1 30 ILE MG 1 33 GLU QG 3.700 . 6.000 4.509 3.043 5.191 . 0 0 "[ . 1 . 2]" 2
140 1 15 GLU H 1 15 GLU HG3 3.700 . 6.000 3.709 2.043 4.481 . 0 0 "[ . 1 . 2]" 2
141 1 9 TYR QD 1 33 GLU QG 4.700 . 6.000 3.496 1.754 5.283 0.046 20 0 "[ . 1 . 2]" 2
142 1 4 THR MG 1 16 GLY H 2.500 . 6.000 4.990 3.649 6.022 0.022 10 0 "[ . 1 . 2]" 2
143 1 3 ARG QG 1 16 GLY H 4.000 . 6.000 3.469 2.161 4.585 . 0 0 "[ . 1 . 2]" 2
144 1 3 ARG HB3 1 16 GLY H 3.200 . 5.300 3.585 2.169 5.409 0.109 18 0 "[ . 1 . 2]" 2
145 1 15 GLU HA 1 16 GLY H 2.800 . 4.400 2.177 2.109 2.280 . 0 0 "[ . 1 . 2]" 2
146 1 15 GLU HA 1 16 GLY HA3 4.300 . 6.000 3.697 3.001 4.109 . 0 0 "[ . 1 . 2]" 2
147 1 3 ARG QG 1 16 GLY HA3 6.000 . 6.000 3.268 2.118 5.020 . 0 0 "[ . 1 . 2]" 2
148 1 14 ALA MB 1 16 GLY HA2 4.100 . 6.000 4.834 4.502 5.128 . 0 0 "[ . 1 . 2]" 2
149 1 15 GLU HG3 1 16 GLY HA2 5.600 . 6.000 4.250 3.352 5.564 . 0 0 "[ . 1 . 2]" 2
150 1 15 GLU HA 1 16 GLY HA2 3.700 . 6.000 3.528 3.024 3.871 . 0 0 "[ . 1 . 2]" 2
151 1 16 GLY HA2 1 17 GLN H 3.900 . 6.000 2.374 2.103 3.046 . 0 0 "[ . 1 . 2]" 2
152 1 15 GLU HA 1 17 GLN H 5.400 . 6.000 3.381 2.395 4.187 . 0 0 "[ . 1 . 2]" 2
153 1 16 GLY HA2 1 17 GLN HA 2.700 . 4.100 2.577 2.069 3.182 . 0 0 "[ . 1 . 2]" 2
154 1 17 GLN HA 1 36 LYS QE 3.600 . 6.000 2.629 2.079 3.385 . 0 0 "[ . 1 . 2]" 2
155 1 15 GLU HG3 1 17 GLN HA 3.500 . 5.900 2.395 2.207 2.925 . 0 0 "[ . 1 . 2]" 2
156 1 17 GLN HA 1 20 GLN H 2.400 . 6.000 3.538 3.495 3.569 . 0 0 "[ . 1 . 2]" 2
157 1 42 TRP HD1 1 74 LEU HA 4.500 . 6.000 4.583 4.154 5.008 . 0 0 "[ . 1 . 2]" 2
158 1 17 GLN QB 1 17 GLN QG 1.800 . 6.000 2.011 1.969 2.065 . 0 0 "[ . 1 . 2]" 2
159 1 17 GLN QB 1 23 PRO QG 6.000 . 6.000 6.194 5.501 7.341 1.341 20 3 "[ . 1 .* -+]" 2
160 1 17 GLN QB 1 21 LEU HG 4.600 . 6.000 4.557 2.905 5.116 . 0 0 "[ . 1 . 2]" 2
161 1 17 GLN QB 1 21 LEU QD 3.100 . 5.000 3.528 2.854 4.242 . 0 0 "[ . 1 . 2]" 2
162 1 66 LEU H 1 67 GLU QB 2.800 . 4.300 2.231 2.155 2.493 . 0 0 "[ . 1 . 2]" 2
163 1 17 GLN HA 1 17 GLN QB 2.500 . 3.700 2.411 1.971 2.532 . 0 0 "[ . 1 . 2]" 2
164 1 17 GLN HA 1 17 GLN QG 2.200 . 6.000 2.323 1.966 3.271 . 0 0 "[ . 1 . 2]" 2
165 1 16 GLY HA2 1 18 ASP H 3.400 . 5.700 3.496 2.121 4.585 . 0 0 "[ . 1 . 2]" 2
166 1 17 GLN HA 1 18 ASP H 2.800 . 4.400 2.867 2.136 3.557 . 0 0 "[ . 1 . 2]" 2
167 1 16 GLY HA2 1 18 ASP HA 3.100 . 6.000 4.050 2.983 5.909 . 0 0 "[ . 1 . 2]" 2
168 1 17 GLN QB 1 18 ASP HA 2.300 . 3.400 2.183 2.076 2.293 . 0 0 "[ . 1 . 2]" 2
169 1 19 PHE H 1 21 LEU HB2 3.600 . 6.000 5.954 4.261 6.969 0.969 15 4 "[ - * * 1 + 2]" 2
170 1 17 GLN HA 1 19 PHE H 4.400 . 6.000 4.872 3.431 5.404 . 0 0 "[ . 1 . 2]" 2
171 1 19 PHE H 1 19 PHE QE 5.800 . 6.000 4.296 3.132 5.564 . 0 0 "[ . 1 . 2]" 2
172 1 17 GLN QB 1 19 PHE HA 6.000 . 6.000 4.072 3.653 5.356 . 0 0 "[ . 1 . 2]" 2
173 1 19 PHE HA 1 19 PHE QE 4.700 . 6.000 3.887 3.172 4.486 . 0 0 "[ . 1 . 2]" 2
174 1 19 PHE QB 1 20 GLN HA 3.300 . 5.500 4.153 3.679 4.403 . 0 0 "[ . 1 . 2]" 2
175 1 17 GLN QG 1 20 GLN HA 3.400 . 5.700 5.026 4.400 5.586 . 0 0 "[ . 1 . 2]" 2
176 1 20 GLN HA 1 22 TYR H 3.900 . 6.000 3.543 3.067 4.418 . 0 0 "[ . 1 . 2]" 2
177 1 20 GLN H 1 20 GLN HA 2.600 . 3.900 2.043 1.572 2.133 0.228 18 0 "[ . 1 . 2]" 2
178 1 20 GLN HA 1 20 GLN QB 2.500 . 3.800 2.304 2.172 2.390 . 0 0 "[ . 1 . 2]" 2
179 1 20 GLN H 1 20 GLN QB 3.000 . 4.800 2.401 2.150 3.014 . 0 0 "[ . 1 . 2]" 2
180 1 20 GLN QB 1 22 TYR QD 2.600 . 3.900 3.355 2.958 4.026 0.126 11 0 "[ . 1 . 2]" 2
181 1 17 GLN QG 1 20 GLN QB 3.500 . 6.000 5.463 4.623 6.340 0.340 2 0 "[ . 1 . 2]" 2
182 1 20 GLN H 1 20 GLN QB 3.600 . 6.000 2.413 2.155 3.070 . 0 0 "[ . 1 . 2]" 2
183 1 20 GLN H 1 20 GLN QG 2.700 . 4.200 2.042 1.787 2.422 0.013 7 0 "[ . 1 . 2]" 2
184 1 20 GLN H 1 20 GLN QG 2.700 . 4.100 2.060 1.793 2.486 0.007 7 0 "[ . 1 . 2]" 2
185 1 17 GLN QG 1 21 LEU H 4.500 . 6.000 5.273 4.623 5.973 . 0 0 "[ . 1 . 2]" 2
186 1 17 GLN QE 1 21 LEU H 5.600 . 6.000 5.256 4.524 6.095 0.095 9 0 "[ . 1 . 2]" 2
187 1 17 GLN QE 1 21 LEU QD 6.000 . 6.000 3.499 2.172 4.449 . 0 0 "[ . 1 . 2]" 2
188 1 21 LEU QD 1 23 PRO HA 4.600 . 6.000 4.721 4.395 5.188 . 0 0 "[ . 1 . 2]" 2
189 1 17 GLN QG 1 21 LEU QD 3.000 . 4.900 4.332 3.093 4.986 0.086 19 0 "[ . 1 . 2]" 2
190 1 21 LEU QD 1 23 PRO QG 3.000 . 6.000 3.476 2.944 4.255 . 0 0 "[ . 1 . 2]" 2
191 1 17 GLN QE 1 21 LEU QD 3.900 . 6.000 3.221 1.877 4.092 . 0 0 "[ . 1 . 2]" 2
192 1 26 LEU HG 1 29 ARG HD3 3.600 . 6.000 5.114 4.264 6.630 0.630 12 1 "[ . 1 + . 2]" 2
193 1 21 LEU HB2 1 22 TYR H 3.500 . 6.000 3.342 1.751 4.415 0.049 19 0 "[ . 1 . 2]" 2
194 1 20 GLN QB 1 22 TYR H 3.100 . 5.000 3.456 3.156 3.731 . 0 0 "[ . 1 . 2]" 2
195 1 20 GLN QG 1 22 TYR H 4.300 . 6.000 4.242 3.085 4.648 . 0 0 "[ . 1 . 2]" 2
196 1 20 GLN HA 1 22 TYR H 3.200 . 5.200 3.659 3.089 4.979 . 0 0 "[ . 1 . 2]" 2
197 1 22 TYR H 1 22 TYR QE 4.400 . 6.000 4.405 3.668 5.551 . 0 0 "[ . 1 . 2]" 2
198 1 20 GLN H 1 22 TYR H 2.600 . 4.000 2.320 1.804 2.863 . 0 0 "[ . 1 . 2]" 2
199 1 68 GLN HA 1 81 HIS HA 3.500 . 5.900 4.339 4.242 4.402 . 0 0 "[ . 1 . 2]" 2
200 1 22 TYR H 1 22 TYR HA 2.400 . 3.500 2.869 2.784 2.936 . 0 0 "[ . 1 . 2]" 2
201 1 21 LEU QD 1 23 PRO HA 6.000 . 6.000 5.438 4.823 5.946 . 0 0 "[ . 1 . 2]" 2
202 1 20 GLN QE 1 23 PRO HA 4.600 . 6.000 4.951 4.399 5.715 . 0 0 "[ . 1 . 2]" 2
203 1 23 PRO QB 1 24 GLY H 3.400 . 5.700 2.733 2.249 3.242 . 0 0 "[ . 1 . 2]" 2
204 1 20 GLN QE 1 23 PRO QB 3.600 . 6.000 3.709 2.565 4.409 . 0 0 "[ . 1 . 2]" 2
205 1 22 TYR QB 1 23 PRO QD 6.000 . 6.000 2.053 1.775 3.368 0.025 6 0 "[ . 1 . 2]" 2
206 1 22 TYR H 1 23 PRO QD 4.200 . 6.000 1.855 1.622 2.043 0.178 20 0 "[ . 1 . 2]" 2
207 1 17 GLN QE 1 23 PRO QD 6.000 . 6.000 3.065 2.583 3.582 . 0 0 "[ . 1 . 2]" 2
208 1 23 PRO QD 1 28 LYS HE3 5.100 . 6.000 6.391 5.758 6.928 0.928 19 8 "[** . -* 1* * . +*]" 2
209 1 21 LEU HB2 1 23 PRO QD 4.300 . 6.000 3.955 2.453 5.223 . 0 0 "[ . 1 . 2]" 2
210 1 23 PRO HA 1 23 PRO QG 3.300 . 3.700 2.514 1.944 2.833 . 0 0 "[ . 1 . 2]" 2
211 1 17 GLN QG 1 23 PRO QG 2.000 . 2.800 1.962 1.939 1.981 . 0 0 "[ . 1 . 2]" 2
212 1 29 ARG HE 1 29 ARG HG3 2.700 . 4.200 2.630 2.323 3.253 . 0 0 "[ . 1 . 2]" 2
213 1 29 ARG HG3 1 75 PHE QE 2.800 . 4.300 3.491 2.948 3.742 . 0 0 "[ . 1 . 2]" 2
214 1 23 PRO QG 1 29 ARG H 4.700 . 6.000 4.367 4.211 4.436 . 0 0 "[ . 1 . 2]" 2
215 1 65 LEU HG 1 66 LEU H 4.200 . 6.000 4.150 3.203 4.887 . 0 0 "[ . 1 . 2]" 2
216 1 21 LEU HG 1 24 GLY H 6.000 . 6.000 6.186 5.184 7.841 1.841 20 6 "[ . **1* . -* +]" 2
217 1 23 PRO HA 1 24 GLY H 3.200 . 5.300 2.331 2.156 2.550 . 0 0 "[ . 1 . 2]" 2
218 1 20 GLN QE 1 24 GLY H 5.500 . 6.000 4.317 3.670 5.413 . 0 0 "[ . 1 . 2]" 2
219 1 22 TYR H 1 24 GLY H 5.000 . 6.000 4.784 4.467 5.357 . 0 0 "[ . 1 . 2]" 2
220 1 23 PRO QG 1 24 GLY HA2 4.300 . 6.000 4.764 4.087 5.468 . 0 0 "[ . 1 . 2]" 2
221 1 23 PRO QG 1 25 GLU H 6.000 . 6.000 4.203 3.816 4.569 . 0 0 "[ . 1 . 2]" 2
222 1 23 PRO HA 1 25 GLU H 6.000 . 6.000 4.980 4.605 5.383 . 0 0 "[ . 1 . 2]" 2
223 1 25 GLU HA 1 26 LEU QB 2.100 . 3.000 3.175 2.124 4.040 1.040 18 9 "[** * *1 ** . *+ -]" 2
224 1 24 GLY HA3 1 25 GLU HB3 2.200 . 3.100 2.562 2.375 2.995 . 0 0 "[ . 1 . 2]" 2
225 1 24 GLY HA3 1 25 GLU HB2 2.700 . 4.100 2.692 2.401 2.993 . 0 0 "[ . 1 . 2]" 2
226 1 24 GLY HA3 1 25 GLU HG2 2.800 . 4.400 3.213 2.415 3.915 . 0 0 "[ . 1 . 2]" 2
227 1 26 LEU H 1 26 LEU QD 4.900 . 6.000 3.600 3.114 3.707 . 0 0 "[ . 1 . 2]" 2
228 1 23 PRO QG 1 26 LEU H 3.100 . 5.000 2.264 2.226 2.382 . 0 0 "[ . 1 . 2]" 2
229 1 24 GLY HA3 1 26 LEU H 4.400 . 6.000 3.330 3.136 3.428 . 0 0 "[ . 1 . 2]" 2
230 1 26 LEU HA 1 29 ARG HD2 2.300 . 6.000 4.201 2.904 5.717 . 0 0 "[ . 1 . 2]" 2
231 1 26 LEU HA 1 28 LYS HB2 2.000 . 6.000 2.733 2.007 3.420 . 0 0 "[ . 1 . 2]" 2
232 1 26 LEU HA 1 26 LEU HG 3.600 . 6.000 3.071 2.903 3.140 . 0 0 "[ . 1 . 2]" 2
233 1 26 LEU HA 1 26 LEU QD 2.500 . 3.700 2.046 1.989 2.089 . 0 0 "[ . 1 . 2]" 2
234 1 23 PRO HA 1 26 LEU QD 5.100 . 6.000 4.065 3.845 4.699 . 0 0 "[ . 1 . 2]" 2
235 1 26 LEU QD 1 30 ILE HA 3.800 . 6.000 4.881 4.203 5.533 . 0 0 "[ . 1 . 2]" 2
236 1 25 GLU HA 1 26 LEU QD 3.300 . 6.000 5.548 5.184 5.708 . 0 0 "[ . 1 . 2]" 2
237 1 26 LEU QD 1 73 PHE QB 3.800 . 6.000 5.509 4.783 6.529 0.529 9 1 "[ . +1 . 2]" 2
238 1 26 LEU QD 1 29 ARG HD2 3.300 . 5.400 3.283 2.517 3.835 . 0 0 "[ . 1 . 2]" 2
239 1 23 PRO QB 1 26 LEU QD 2.900 . 4.600 2.949 2.546 3.395 . 0 0 "[ . 1 . 2]" 2
240 1 26 LEU QD 1 26 LEU HG 2.200 . 3.200 1.892 1.886 1.895 . 0 0 "[ . 1 . 2]" 2
241 1 26 LEU QD 1 34 ILE QG 2.700 . 4.100 3.463 2.763 4.187 0.087 14 0 "[ . 1 . 2]" 2
242 1 26 LEU QD 1 29 ARG H 4.800 . 6.000 4.549 4.388 4.915 . 0 0 "[ . 1 . 2]" 2
243 1 26 LEU HG 1 29 ARG H 3.400 . 5.800 5.561 5.274 6.337 0.537 1 1 "[+ . 1 . 2]" 2
244 1 21 LEU QD 1 27 GLY H 4.300 . 6.000 4.763 4.270 5.588 . 0 0 "[ . 1 . 2]" 2
245 1 26 LEU HG 1 27 GLY H 3.900 . 6.000 3.967 3.564 4.523 . 0 0 "[ . 1 . 2]" 2
246 1 23 PRO QG 1 27 GLY H 3.000 . 4.800 2.607 2.332 2.885 . 0 0 "[ . 1 . 2]" 2
247 1 27 GLY H 1 28 LYS HB2 3.700 . 6.000 4.452 4.216 4.761 . 0 0 "[ . 1 . 2]" 2
248 1 26 LEU HA 1 27 GLY H 4.000 . 6.000 3.492 3.437 3.542 . 0 0 "[ . 1 . 2]" 2
249 1 21 LEU H 1 27 GLY H 3.900 . 6.000 4.014 3.769 4.237 . 0 0 "[ . 1 . 2]" 2
250 1 24 GLY H 1 27 GLY H 4.500 . 6.000 3.100 2.516 3.394 . 0 0 "[ . 1 . 2]" 2
251 1 27 GLY QA 1 28 LYS HB2 3.200 . 5.300 3.208 2.634 3.629 . 0 0 "[ . 1 . 2]" 2
252 1 21 LEU QD 1 27 GLY QA 3.400 . 5.800 3.086 2.192 4.092 . 0 0 "[ . 1 . 2]" 2
253 1 23 PRO QG 1 27 GLY QA 5.000 . 6.000 2.650 1.947 3.225 . 0 0 "[ . 1 . 2]" 2
254 1 26 LEU HG 1 27 GLY QA 6.000 . 6.000 3.598 3.380 4.207 . 0 0 "[ . 1 . 2]" 2
255 1 22 TYR H 1 27 GLY QA 4.000 . 5.700 2.579 2.482 2.748 . 0 0 "[ . 1 . 2]" 2
256 1 20 GLN QE 1 27 GLY QA 5.100 . 6.000 3.109 1.846 3.721 . 0 0 "[ . 1 . 2]" 2
257 1 27 GLY QA 1 28 LYS HB2 5.000 . 6.000 3.160 2.624 3.535 . 0 0 "[ . 1 . 2]" 2
258 1 21 LEU QD 1 28 LYS H 5.100 . 6.000 5.524 5.054 5.896 . 0 0 "[ . 1 . 2]" 2
259 1 26 LEU HG 1 28 LYS H 4.100 . 6.000 5.698 5.341 6.146 0.146 1 0 "[ . 1 . 2]" 2
260 1 20 GLN QB 1 28 LYS H 3.300 . 5.500 3.904 3.555 4.480 . 0 0 "[ . 1 . 2]" 2
261 1 20 GLN QG 1 28 LYS H 5.100 . 6.000 3.792 3.277 4.192 . 0 0 "[ . 1 . 2]" 2
262 1 28 LYS H 1 28 LYS HB2 2.500 . 3.700 3.102 2.335 3.542 . 0 0 "[ . 1 . 2]" 2
263 1 22 TYR QB 1 28 LYS H 5.600 . 6.000 5.154 3.413 6.782 0.782 20 1 "[ . 1 . +]" 2
264 1 24 GLY HA3 1 28 LYS H 2.800 . 4.400 2.702 2.612 2.773 . 0 0 "[ . 1 . 2]" 2
265 1 26 LEU HA 1 28 LYS H 3.700 . 6.000 4.393 4.164 4.526 . 0 0 "[ . 1 . 2]" 2
266 1 28 LYS HA 1 30 ILE H 2.900 . 4.600 3.487 3.078 3.774 . 0 0 "[ . 1 . 2]" 2
267 1 22 TYR H 1 28 LYS HA 2.500 . 3.700 2.491 2.459 2.521 . 0 0 "[ . 1 . 2]" 2
268 1 28 LYS HA 1 29 ARG H 2.700 . 4.100 3.143 3.112 3.168 . 0 0 "[ . 1 . 2]" 2
269 1 25 GLU HA 1 28 LYS HB3 2.100 . 3.000 2.829 1.968 3.009 0.009 13 0 "[ . 1 . 2]" 2
270 1 22 TYR H 1 28 LYS HB3 3.500 . 5.900 2.741 2.283 3.602 . 0 0 "[ . 1 . 2]" 2
271 1 24 GLY HA3 1 28 LYS QG 2.700 . 4.100 2.209 1.825 2.569 . 0 0 "[ . 1 . 2]" 2
272 1 28 LYS HE3 1 28 LYS QG 2.400 . 3.500 2.131 2.003 2.544 . 0 0 "[ . 1 . 2]" 2
273 1 20 GLN QB 1 28 LYS QG 1.800 . 6.000 2.057 1.999 2.090 . 0 0 "[ . 1 . 2]" 2
274 1 22 TYR H 1 28 LYS QG 3.200 . 5.300 2.517 1.807 3.801 . 0 0 "[ . 1 . 2]" 2
275 1 28 LYS QG 1 31 TYR H 1.900 . 6.000 2.128 1.791 3.199 0.009 2 0 "[ . 1 . 2]" 2
276 1 28 LYS QG 1 31 TYR QE 3.800 . 6.000 3.910 2.398 5.259 . 0 0 "[ . 1 . 2]" 2
277 1 26 LEU HG 1 29 ARG H 4.300 . 6.000 2.819 2.088 3.767 . 0 0 "[ . 1 . 2]" 2
278 1 23 PRO QG 1 29 ARG H 3.400 . 5.700 3.923 3.722 4.102 . 0 0 "[ . 1 . 2]" 2
279 1 20 GLN QG 1 29 ARG H 3.800 . 6.000 4.926 4.535 5.570 . 0 0 "[ . 1 . 2]" 2
280 1 28 LYS HB3 1 29 ARG H 2.500 . 3.800 2.461 2.217 2.682 . 0 0 "[ . 1 . 2]" 2
281 1 25 GLU HA 1 29 ARG H 2.700 . 4.200 3.317 3.260 3.380 . 0 0 "[ . 1 . 2]" 2
282 1 26 LEU HA 1 29 ARG H 2.800 . 4.300 2.698 2.654 2.737 . 0 0 "[ . 1 . 2]" 2
283 1 28 LYS QG 1 29 ARG HA 2.400 . 3.600 2.879 2.509 3.111 . 0 0 "[ . 1 . 2]" 2
284 1 28 LYS HB3 1 29 ARG HA 2.000 . 6.000 2.994 2.944 3.018 . 0 0 "[ . 1 . 2]" 2
285 1 26 LEU HA 1 29 ARG HB3 2.200 . 3.200 2.519 1.980 2.835 . 0 0 "[ . 1 . 2]" 2
286 1 26 LEU QD 1 29 ARG HD3 2.600 . 3.900 2.735 1.880 4.015 0.115 12 0 "[ . 1 . 2]" 2
287 1 26 LEU HA 1 29 ARG HD2 4.600 . 6.000 3.793 2.860 4.557 . 0 0 "[ . 1 . 2]" 2
288 1 26 LEU QD 1 29 ARG HD2 4.100 . 6.000 3.686 2.624 4.723 . 0 0 "[ . 1 . 2]" 2
289 1 26 LEU HA 1 29 ARG HG3 2.200 . 3.200 2.606 2.480 2.824 . 0 0 "[ . 1 . 2]" 2
290 1 29 ARG HB3 1 30 ILE H 2.100 . 3.000 2.254 2.098 2.358 . 0 0 "[ . 1 . 2]" 2
291 1 29 ARG HD3 1 30 ILE H 4.200 . 6.000 4.521 4.028 5.120 . 0 0 "[ . 1 . 2]" 2
292 1 29 ARG H 1 30 ILE H 3.000 . 4.800 2.328 2.138 2.513 . 0 0 "[ . 1 . 2]" 2
293 1 29 ARG HG3 1 30 ILE HA 4.100 . 6.000 3.534 2.693 3.954 . 0 0 "[ . 1 . 2]" 2
294 1 30 ILE HA 1 33 GLU H 4.100 . 6.000 3.411 3.030 4.029 . 0 0 "[ . 1 . 2]" 2
295 1 30 ILE HA 1 39 TRP HE3 5.100 . 6.000 6.140 5.781 6.487 0.487 8 0 "[ . 1 . 2]" 2
296 1 9 TYR QD 1 30 ILE HA 3.300 . 5.500 5.052 3.908 5.979 0.479 3 0 "[ . 1 . 2]" 2
297 1 27 GLY QA 1 30 ILE MD 4.000 . 6.000 3.125 2.193 4.182 . 0 0 "[ . 1 . 2]" 2
298 1 30 ILE MD 1 39 TRP HA 5.100 . 6.000 4.912 4.509 5.306 . 0 0 "[ . 1 . 2]" 2
299 1 30 ILE MD 1 75 PHE QB 3.800 . 6.000 3.597 2.242 3.841 . 0 0 "[ . 1 . 2]" 2
300 1 30 ILE MD 1 31 TYR QB 3.900 . 6.000 5.431 4.758 5.697 . 0 0 "[ . 1 . 2]" 2
301 1 30 ILE MD 1 33 GLU QB 4.900 . 6.000 4.919 3.969 5.410 . 0 0 "[ . 1 . 2]" 2
302 1 30 ILE MD 1 33 GLU QG 3.800 . 6.000 3.801 2.743 5.208 . 0 0 "[ . 1 . 2]" 2
303 1 46 GLN QG 1 50 ILE MD 2.500 . 3.800 2.103 1.777 2.593 0.023 20 0 "[ . 1 . 2]" 2
304 1 26 LEU HG 1 30 ILE MD 2.500 . 3.800 2.928 2.210 4.669 0.869 1 3 "[+ . 1 *. - 2]" 2
305 1 23 PRO QB 1 30 ILE MD 2.200 . 3.200 2.136 1.869 2.310 . 0 0 "[ . 1 . 2]" 2
306 1 30 ILE MD 1 74 LEU QB 3.600 . 6.000 3.902 3.392 4.457 . 0 0 "[ . 1 . 2]" 2
307 1 30 ILE H 1 30 ILE MD 4.000 . 6.000 3.555 3.127 3.742 . 0 0 "[ . 1 . 2]" 2
308 1 29 ARG HE 1 30 ILE MD 2.900 . 6.000 5.273 4.225 5.830 . 0 0 "[ . 1 . 2]" 2
309 1 7 CYS HA 1 30 ILE MG 4.100 . 6.000 4.693 3.058 5.792 . 0 0 "[ . 1 . 2]" 2
310 1 30 ILE MG 1 31 TYR HA 4.300 . 6.000 3.344 3.137 3.606 . 0 0 "[ . 1 . 2]" 2
311 1 9 TYR HB2 1 30 ILE MG 5.100 . 6.000 6.093 5.674 6.403 0.403 12 0 "[ . 1 . 2]" 2
312 1 30 ILE MG 1 34 ILE QG 2.600 . 4.000 2.329 1.963 2.686 . 0 0 "[ . 1 . 2]" 2
313 1 30 ILE MG 1 33 GLU H 4.100 . 6.000 3.600 3.126 4.027 . 0 0 "[ . 1 . 2]" 2
314 1 30 ILE MG 1 39 TRP HZ2 6.000 . 6.000 5.317 4.701 5.750 . 0 0 "[ . 1 . 2]" 2
315 1 30 ILE MG 1 39 TRP HE3 3.100 . 5.000 2.734 2.249 3.097 . 0 0 "[ . 1 . 2]" 2
316 1 28 LYS QG 1 31 TYR H 5.000 . 6.000 4.760 4.425 4.993 . 0 0 "[ . 1 . 2]" 2
317 1 17 GLN QG 1 31 TYR H 5.000 . 6.000 4.976 4.235 5.473 . 0 0 "[ . 1 . 2]" 2
318 1 28 LYS HB2 1 31 TYR H 2.900 . 4.600 2.618 2.434 2.820 . 0 0 "[ . 1 . 2]" 2
319 1 31 TYR H 1 31 TYR QB 2.600 . 4.000 2.394 2.237 2.509 . 0 0 "[ . 1 . 2]" 2
320 1 31 TYR HA 1 31 TYR QB 2.500 . 3.800 2.395 2.352 2.456 . 0 0 "[ . 1 . 2]" 2
321 1 31 TYR HA 1 31 TYR QB 2.500 . 3.700 2.394 2.351 2.454 . 0 0 "[ . 1 . 2]" 2
322 1 17 GLN QG 1 31 TYR HA 3.500 . 5.900 3.237 1.960 4.419 . 0 0 "[ . 1 . 2]" 2
323 1 17 GLN QE 1 31 TYR HA 2.600 . 3.900 4.077 3.310 4.928 1.028 13 7 "[ * ** *1 + . - *2]" 2
324 1 30 ILE MG 1 32 ASN H 4.700 . 6.000 4.680 4.467 4.905 . 0 0 "[ . 1 . 2]" 2
325 1 14 ALA MB 1 32 ASN H 5.100 . 6.000 5.463 4.761 5.978 . 0 0 "[ . 1 . 2]" 2
326 1 28 LYS HB3 1 32 ASN H 3.800 . 6.000 4.470 4.197 4.670 . 0 0 "[ . 1 . 2]" 2
327 1 20 GLN QG 1 32 ASN H 2.300 . 6.000 7.757 6.237 8.818 2.818 8 18 [**-*.**+***********2] 2
328 1 31 TYR QB 1 32 ASN H 2.800 . 4.300 2.629 2.126 3.014 . 0 0 "[ . 1 . 2]" 2
329 1 31 TYR QB 1 32 ASN H 3.300 . 5.400 2.612 2.173 3.046 . 0 0 "[ . 1 . 2]" 2
330 1 32 ASN H 1 33 GLU H 3.000 . 4.700 2.363 2.175 2.629 . 0 0 "[ . 1 . 2]" 2
331 1 6 PHE H 1 32 ASN HA 3.000 . 4.800 3.355 3.230 3.519 . 0 0 "[ . 1 . 2]" 2
332 1 30 ILE MG 1 33 GLU H 4.600 . 6.000 4.058 3.839 4.193 . 0 0 "[ . 1 . 2]" 2
333 1 5 ILE HB 1 33 GLU H 3.300 . 5.400 3.962 3.505 4.431 . 0 0 "[ . 1 . 2]" 2
334 1 31 TYR QB 1 33 GLU H 3.900 . 6.000 3.663 2.703 4.085 . 0 0 "[ . 1 . 2]" 2
335 1 16 GLY HA3 1 33 GLU H 3.900 . 6.000 5.003 4.581 5.463 . 0 0 "[ . 1 . 2]" 2
336 1 5 ILE QG 1 33 GLU HA 4.100 . 6.000 4.387 3.342 5.152 . 0 0 "[ . 1 . 2]" 2
337 1 5 ILE MD 1 33 GLU HA 4.000 . 6.000 2.809 1.925 3.528 . 0 0 "[ . 1 . 2]" 2
338 1 33 GLU H 1 33 GLU QB 3.200 . 5.300 2.533 2.310 3.037 . 0 0 "[ . 1 . 2]" 2
339 1 30 ILE MG 1 33 GLU QB 4.000 . 6.000 3.551 2.987 4.083 . 0 0 "[ . 1 . 2]" 2
340 1 33 GLU H 1 33 GLU QG 3.500 . 5.900 2.678 1.948 3.092 . 0 0 "[ . 1 . 2]" 2
341 1 29 ARG HG3 1 33 GLU QG 3.600 . 6.000 3.993 2.406 5.048 . 0 0 "[ . 1 . 2]" 2
342 1 5 ILE QG 1 34 ILE H 4.000 . 6.000 3.342 3.061 3.554 . 0 0 "[ . 1 . 2]" 2
343 1 33 GLU QB 1 34 ILE H 2.900 . 4.600 2.456 2.226 2.619 . 0 0 "[ . 1 . 2]" 2
344 1 32 ASN HA 1 34 ILE H 3.400 . 5.700 4.091 3.731 4.444 . 0 0 "[ . 1 . 2]" 2
345 1 17 GLN QE 1 34 ILE H 5.300 . 6.000 5.708 4.939 6.353 0.353 5 0 "[ . 1 . 2]" 2
346 1 8 THR HA 1 34 ILE HA 4.100 . 6.000 3.965 3.835 4.234 . 0 0 "[ . 1 . 2]" 2
347 1 9 TYR HB2 1 34 ILE HA 4.000 . 6.000 5.200 4.488 5.811 . 0 0 "[ . 1 . 2]" 2
348 1 14 ALA MB 1 34 ILE HA 3.900 . 6.000 3.485 3.267 3.711 . 0 0 "[ . 1 . 2]" 2
349 1 34 ILE HA 1 34 ILE MD 2.400 . 3.600 1.909 1.849 1.993 . 0 0 "[ . 1 . 2]" 2
350 1 7 CYS HA 1 34 ILE HB 3.700 . 6.000 4.592 3.755 4.993 . 0 0 "[ . 1 . 2]" 2
351 1 14 ALA MB 1 34 ILE HB 4.300 . 6.000 4.609 4.469 4.751 . 0 0 "[ . 1 . 2]" 2
352 1 30 ILE MG 1 34 ILE HB 3.000 . 4.800 2.223 2.020 2.468 . 0 0 "[ . 1 . 2]" 2
353 1 33 GLU H 1 34 ILE HB 3.100 . 5.000 2.515 2.344 2.620 . 0 0 "[ . 1 . 2]" 2
354 1 17 GLN QE 1 34 ILE HB 2.700 . 4.200 3.735 3.421 4.139 . 0 0 "[ . 1 . 2]" 2
355 1 7 CYS HA 1 34 ILE MD 5.600 . 6.000 3.937 3.561 4.275 . 0 0 "[ . 1 . 2]" 2
356 1 8 THR HB 1 34 ILE MD 3.700 . 6.000 3.793 3.115 4.325 . 0 0 "[ . 1 . 2]" 2
357 1 8 THR HA 1 34 ILE MD 3.300 . 5.400 2.511 2.258 2.953 . 0 0 "[ . 1 . 2]" 2
358 1 34 ILE MD 1 39 TRP HB3 6.000 . 6.000 4.436 3.677 4.704 . 0 0 "[ . 1 . 2]" 2
359 1 9 TYR HB2 1 34 ILE MD 3.700 . 6.000 2.702 2.361 3.165 . 0 0 "[ . 1 . 2]" 2
360 1 17 GLN QB 1 34 ILE MD 3.300 . 5.500 4.900 4.326 5.460 . 0 0 "[ . 1 . 2]" 2
361 1 14 ALA MB 1 34 ILE MD 3.300 . 5.500 2.346 1.957 3.013 . 0 0 "[ . 1 . 2]" 2
362 1 34 ILE H 1 34 ILE MD 4.600 . 6.000 3.762 3.581 3.945 . 0 0 "[ . 1 . 2]" 2
363 1 17 GLN QE 1 34 ILE MD 5.500 . 6.000 4.512 4.273 5.011 . 0 0 "[ . 1 . 2]" 2
364 1 30 ILE MG 1 34 ILE QG 2.200 . 3.100 1.801 1.713 1.854 0.087 14 0 "[ . 1 . 2]" 2
365 1 7 CYS HA 1 34 ILE MG 3.300 . 5.400 3.465 2.738 3.817 . 0 0 "[ . 1 . 2]" 2
366 1 34 ILE MG 1 35 SER QB 3.300 . 5.500 2.708 2.485 2.923 . 0 0 "[ . 1 . 2]" 2
367 1 9 TYR HB2 1 34 ILE MG 4.300 . 6.000 4.344 3.871 4.715 . 0 0 "[ . 1 . 2]" 2
368 1 33 GLU QG 1 34 ILE MG 6.000 . 6.000 5.671 4.636 6.176 0.176 4 0 "[ . 1 . 2]" 2
369 1 17 GLN QB 1 34 ILE MG 4.700 . 6.000 4.000 2.545 4.996 . 0 0 "[ . 1 . 2]" 2
370 1 10 LEU HG 1 34 ILE MG 2.400 . 3.500 2.302 2.271 2.327 . 0 0 "[ . 1 . 2]" 2
371 1 14 ALA MB 1 34 ILE MG 2.000 . 2.800 2.001 1.850 2.249 . 0 0 "[ . 1 . 2]" 2
372 1 30 ILE MG 1 34 ILE MG 2.300 . 3.300 1.777 1.700 1.819 0.100 18 0 "[ . 1 . 2]" 2
373 1 34 ILE H 1 34 ILE MG 4.200 . 6.000 3.267 3.155 3.398 . 0 0 "[ . 1 . 2]" 2
374 1 34 ILE MG 1 39 TRP HZ2 5.800 . 6.000 5.204 4.938 5.517 . 0 0 "[ . 1 . 2]" 2
375 1 5 ILE MD 1 35 SER H 4.500 . 6.000 2.989 2.657 3.242 . 0 0 "[ . 1 . 2]" 2
376 1 10 LEU HG 1 35 SER H 4.500 . 6.000 4.053 3.740 4.446 . 0 0 "[ . 1 . 2]" 2
377 1 14 ALA MB 1 35 SER H 3.800 . 6.000 2.741 2.258 3.030 . 0 0 "[ . 1 . 2]" 2
378 1 7 CYS QB 1 35 SER H 3.700 . 6.000 3.003 2.224 3.381 . 0 0 "[ . 1 . 2]" 2
379 1 35 SER H 1 35 SER QB 3.400 . 5.700 2.363 2.180 2.727 . 0 0 "[ . 1 . 2]" 2
380 1 9 TYR QD 1 35 SER H 5.600 . 6.000 5.792 5.146 6.767 0.767 12 1 "[ . 1 + . 2]" 2
381 1 34 ILE H 1 35 SER H 5.400 . 6.000 3.567 3.453 3.727 . 0 0 "[ . 1 . 2]" 2
382 1 7 CYS QB 1 35 SER QB 3.800 . 6.000 2.913 2.141 4.019 . 0 0 "[ . 1 . 2]" 2
383 1 7 CYS QB 1 35 SER QB 3.200 . 6.000 2.918 2.141 4.069 . 0 0 "[ . 1 . 2]" 2
384 1 14 ALA MB 1 35 SER QB 2.700 . 4.100 1.999 1.738 2.745 0.062 18 0 "[ . 1 . 2]" 2
385 1 5 ILE MD 1 35 SER QB 4.100 . 6.000 3.181 2.564 3.993 . 0 0 "[ . 1 . 2]" 2
386 1 34 ILE MD 1 35 SER QB 4.100 . 6.000 4.473 3.992 4.993 . 0 0 "[ . 1 . 2]" 2
387 1 34 ILE MD 1 36 LYS H 3.300 . 5.400 6.131 5.895 6.355 0.955 8 19 [*******+*********-*2] 2
388 1 14 ALA MB 1 36 LYS H 4.100 . 6.000 3.465 3.182 3.858 . 0 0 "[ . 1 . 2]" 2
389 1 34 ILE HB 1 36 LYS H 4.600 . 6.000 5.302 4.772 5.831 . 0 0 "[ . 1 . 2]" 2
390 1 16 GLY HA2 1 36 LYS H 4.300 . 6.000 4.038 3.514 4.719 . 0 0 "[ . 1 . 2]" 2
391 1 17 GLN HA 1 36 LYS H 2.900 . 4.600 2.668 2.269 2.767 . 0 0 "[ . 1 . 2]" 2
392 1 15 GLU HA 1 36 LYS H 2.700 . 4.100 2.986 1.894 3.439 . 0 0 "[ . 1 . 2]" 2
393 1 36 LYS H 1 38 ALA H 5.100 . 6.000 4.416 4.177 4.625 . 0 0 "[ . 1 . 2]" 2
394 1 15 GLU HG3 1 36 LYS HA 3.900 . 6.000 2.945 2.104 4.540 . 0 0 "[ . 1 . 2]" 2
395 1 36 LYS HA 1 74 LEU HG 3.600 . 6.000 4.839 3.827 6.948 0.948 14 1 "[ . 1 +. 2]" 2
396 1 36 LYS HA 1 36 LYS QD 3.600 . 6.000 3.521 1.987 4.119 . 0 0 "[ . 1 . 2]" 2
397 1 36 LYS HA 1 36 LYS QG 2.300 . 3.300 2.029 1.963 2.087 . 0 0 "[ . 1 . 2]" 2
398 1 18 ASP H 1 36 LYS HA 3.300 . 5.500 3.561 3.137 3.946 . 0 0 "[ . 1 . 2]" 2
399 1 36 LYS HB3 1 36 LYS QE 3.300 . 5.400 3.732 3.204 3.984 . 0 0 "[ . 1 . 2]" 2
400 1 17 GLN HA 1 36 LYS QD 1.800 . 2.400 3.114 1.849 3.840 1.440 15 15 "[****-******* + **2]" 2
401 1 17 GLN HA 1 36 LYS QE 2.900 . 4.600 2.600 2.077 3.288 . 0 0 "[ . 1 . 2]" 2
402 1 15 GLU HA 1 36 LYS QG 4.200 . 6.000 3.820 2.008 5.583 . 0 0 "[ . 1 . 2]" 2
403 1 17 GLN HA 1 36 LYS QG 2.300 . 3.400 1.884 1.700 2.084 0.100 10 0 "[ . 1 . 2]" 2
404 1 16 GLY HA2 1 36 LYS QG 3.200 . 5.200 2.283 2.121 2.712 . 0 0 "[ . 1 . 2]" 2
405 1 68 GLN QB 1 80 VAL QG 5.200 . 6.000 3.607 3.069 3.945 . 0 0 "[ . 1 . 2]" 2
406 1 36 LYS H 1 36 LYS QG 4.300 . 6.000 2.093 1.754 2.982 0.046 5 0 "[ . 1 . 2]" 2
407 1 72 SER H 1 80 VAL QG 4.100 . 6.000 6.048 4.446 6.808 0.808 2 2 "[ + - 1 . 2]" 2
408 1 68 GLN HE22 1 80 VAL QG 4.500 . 6.000 3.171 2.279 4.307 . 0 0 "[ . 1 . 2]" 2
409 1 34 ILE MD 1 37 ASP H 5.500 . 6.000 5.994 5.812 6.181 0.181 7 0 "[ . 1 . 2]" 2
410 1 36 LYS HA 1 37 ASP H 3.300 . 5.500 3.491 3.446 3.548 . 0 0 "[ . 1 . 2]" 2
411 1 37 ASP H 1 38 ALA H 3.400 . 5.800 2.764 2.533 2.918 . 0 0 "[ . 1 . 2]" 2
412 1 36 LYS HB3 1 37 ASP HA 2.700 . 6.000 4.456 4.155 4.705 . 0 0 "[ . 1 . 2]" 2
413 1 37 ASP HA 1 38 ALA H 3.200 . 5.300 3.251 3.053 3.370 . 0 0 "[ . 1 . 2]" 2
414 1 30 ILE MG 1 38 ALA H 5.000 . 6.000 4.336 4.185 4.613 . 0 0 "[ . 1 . 2]" 2
415 1 23 PRO QB 1 38 ALA H 1.900 . 6.000 5.879 5.259 6.166 0.166 9 0 "[ . 1 . 2]" 2
416 1 34 ILE HB 1 38 ALA H 3.800 . 6.000 2.993 2.129 3.901 . 0 0 "[ . 1 . 2]" 2
417 1 9 TYR HB2 1 38 ALA H 4.300 . 6.000 6.185 5.659 6.927 0.927 5 3 "[ +* 1 - . 2]" 2
418 1 35 SER QB 1 38 ALA H 3.600 . 6.000 2.815 2.170 3.560 . 0 0 "[ . 1 . 2]" 2
419 1 38 ALA HA 1 41 GLN QG 5.100 . 6.000 3.454 2.577 4.209 . 0 0 "[ . 1 . 2]" 2
420 1 30 ILE MG 1 38 ALA HA 4.500 . 6.000 3.872 3.433 4.298 . 0 0 "[ . 1 . 2]" 2
421 1 38 ALA H 1 38 ALA HA 3.000 . 4.800 2.796 2.755 2.847 . 0 0 "[ . 1 . 2]" 2
422 1 17 GLN QE 1 38 ALA MB 4.300 . 6.000 3.343 2.368 4.271 . 0 0 "[ . 1 . 2]" 2
423 1 8 THR HB 1 38 ALA MB 3.800 . 6.000 5.011 4.497 5.756 . 0 0 "[ . 1 . 2]" 2
424 1 9 TYR HB2 1 38 ALA MB 2.600 . 4.000 3.322 2.776 4.106 0.106 5 0 "[ . 1 . 2]" 2
425 1 34 ILE HB 1 38 ALA MB 4.600 . 6.000 3.913 3.451 4.415 . 0 0 "[ . 1 . 2]" 2
426 1 34 ILE MD 1 38 ALA MB 2.900 . 4.600 2.142 1.935 2.366 . 0 0 "[ . 1 . 2]" 2
427 1 38 ALA H 1 38 ALA MB 3.000 . 4.800 2.231 2.210 2.253 . 0 0 "[ . 1 . 2]" 2
428 1 30 ILE MG 1 39 TRP H 4.800 . 6.000 3.630 3.446 3.876 . 0 0 "[ . 1 . 2]" 2
429 1 30 ILE HB 1 39 TRP H 3.300 . 6.000 5.484 5.165 5.768 . 0 0 "[ . 1 . 2]" 2
430 1 34 ILE HB 1 39 TRP H 4.800 . 6.000 4.707 4.267 5.107 . 0 0 "[ . 1 . 2]" 2
431 1 39 TRP H 1 42 TRP HB2 4.100 . 6.000 5.855 5.484 6.235 0.235 1 0 "[ . 1 . 2]" 2
432 1 17 GLN QE 1 39 TRP H 4.400 . 6.000 4.357 3.619 4.663 . 0 0 "[ . 1 . 2]" 2
433 1 38 ALA H 1 39 TRP H 3.200 . 5.200 2.373 2.282 2.437 . 0 0 "[ . 1 . 2]" 2
434 1 37 ASP HB3 1 39 TRP H 5.900 . 6.000 4.718 4.208 5.354 . 0 0 "[ . 1 . 2]" 2
435 1 31 TYR HA 1 39 TRP H 5.900 . 6.000 4.941 4.881 5.029 . 0 0 "[ . 1 . 2]" 2
436 1 38 ALA H 1 39 TRP HA 3.100 . 5.000 3.138 3.124 3.153 . 0 0 "[ . 1 . 2]" 2
437 1 38 ALA H 1 39 TRP HB3 3.000 . 4.800 2.438 2.289 2.580 . 0 0 "[ . 1 . 2]" 2
438 1 17 GLN QE 1 39 TRP HB3 3.300 . 5.500 3.550 2.275 4.097 . 0 0 "[ . 1 . 2]" 2
439 1 36 LYS HA 1 40 ALA H 2.500 . 3.700 2.658 2.583 2.692 . 0 0 "[ . 1 . 2]" 2
440 1 40 ALA HA 1 41 GLN QG 5.700 . 6.000 4.639 4.400 4.982 . 0 0 "[ . 1 . 2]" 2
441 1 39 TRP HE3 1 40 ALA HA 4.300 . 6.000 3.935 3.725 4.203 . 0 0 "[ . 1 . 2]" 2
442 1 40 ALA MB 1 42 TRP HB2 4.900 . 6.000 4.215 3.881 4.915 . 0 0 "[ . 1 . 2]" 2
443 1 37 ASP HB3 1 40 ALA MB 4.800 . 6.000 3.658 3.143 4.765 . 0 0 "[ . 1 . 2]" 2
444 1 34 ILE MD 1 40 ALA MB 5.600 . 6.000 5.607 5.356 5.866 . 0 0 "[ . 1 . 2]" 2
445 1 39 TRP HE3 1 40 ALA MB 4.800 . 6.000 4.483 4.232 4.653 . 0 0 "[ . 1 . 2]" 2
446 1 41 GLN H 1 41 GLN QG 4.400 . 6.000 2.748 2.016 3.861 . 0 0 "[ . 1 . 2]" 2
447 1 39 TRP HD1 1 41 GLN H 4.800 . 6.000 4.203 2.738 5.293 . 0 0 "[ . 1 . 2]" 2
448 1 38 ALA H 1 41 GLN H 3.000 . 4.900 2.624 2.523 2.752 . 0 0 "[ . 1 . 2]" 2
449 1 41 GLN HA 1 43 GLN QE 2.400 . 6.000 4.120 3.753 4.539 . 0 0 "[ . 1 . 2]" 2
450 1 41 GLN QG 1 42 TRP HB2 5.100 . 6.000 4.739 3.587 5.167 . 0 0 "[ . 1 . 2]" 2
451 1 30 ILE MG 1 42 TRP H 4.700 . 6.000 5.970 5.666 6.509 0.509 3 1 "[ + . 1 . 2]" 2
452 1 42 TRP H 1 45 LYS QB 4.800 . 6.000 4.762 4.487 5.196 . 0 0 "[ . 1 . 2]" 2
453 1 40 ALA MB 1 42 TRP H 4.100 . 6.000 4.042 3.883 4.276 . 0 0 "[ . 1 . 2]" 2
454 1 41 GLN QG 1 42 TRP H 2.900 . 4.600 2.458 2.370 2.628 . 0 0 "[ . 1 . 2]" 2
455 1 42 TRP H 1 73 PHE QB 4.000 . 6.000 6.387 5.797 7.109 1.109 8 7 "[ - *.* +*1 * . * 2]" 2
456 1 40 ALA HA 1 42 TRP H 3.600 . 6.000 3.433 3.380 3.470 . 0 0 "[ . 1 . 2]" 2
457 1 39 TRP HD1 1 42 TRP H 3.800 . 6.000 4.801 3.049 5.741 . 0 0 "[ . 1 . 2]" 2
458 1 42 TRP H 1 43 GLN H 3.000 . 4.800 2.712 2.519 2.887 . 0 0 "[ . 1 . 2]" 2
459 1 42 TRP H 1 45 LYS HB3 4.100 . 6.000 5.217 4.907 5.790 . 0 0 "[ . 1 . 2]" 2
460 1 41 GLN QG 1 42 TRP H 3.400 . 5.800 2.463 2.373 2.635 . 0 0 "[ . 1 . 2]" 2
461 1 39 TRP HA 1 42 TRP H 4.400 . 6.000 3.710 3.442 3.912 . 0 0 "[ . 1 . 2]" 2
462 1 42 TRP HA 1 73 PHE QB 6.000 . 6.000 5.065 4.287 5.818 . 0 0 "[ . 1 . 2]" 2
463 1 42 TRP HA 1 42 TRP HB2 2.800 . 4.300 2.421 2.362 2.505 . 0 0 "[ . 1 . 2]" 2
464 1 42 TRP HA 1 70 MET HB2 4.100 . 6.000 5.625 4.844 6.137 0.137 13 0 "[ . 1 . 2]" 2
465 1 30 ILE MG 1 42 TRP HA 4.600 . 6.000 4.229 3.706 4.597 . 0 0 "[ . 1 . 2]" 2
466 1 42 TRP HA 1 43 GLN H 3.400 . 5.600 3.277 3.094 3.347 . 0 0 "[ . 1 . 2]" 2
467 1 41 GLN QE 1 42 TRP HA 3.200 . 5.200 3.389 2.755 3.702 . 0 0 "[ . 1 . 2]" 2
468 1 30 ILE MG 1 42 TRP HB3 3.300 . 5.500 2.434 2.098 2.670 . 0 0 "[ . 1 . 2]" 2
469 1 42 TRP HB3 1 43 GLN H 3.900 . 6.000 2.586 2.403 2.850 . 0 0 "[ . 1 . 2]" 2
470 1 39 TRP HE3 1 42 TRP HB3 3.200 . 5.200 2.549 2.520 2.570 . 0 0 "[ . 1 . 2]" 2
471 1 30 ILE MG 1 42 TRP HB2 3.300 . 5.500 2.347 1.946 2.773 . 0 0 "[ . 1 . 2]" 2
472 1 42 TRP HB2 1 43 GLN H 4.100 . 6.000 3.791 3.667 3.856 . 0 0 "[ . 1 . 2]" 2
473 1 39 TRP HE3 1 42 TRP HB2 3.200 . 5.300 3.480 3.361 3.593 . 0 0 "[ . 1 . 2]" 2
474 1 34 ILE MD 1 43 GLN H 2.000 . 6.000 4.308 3.960 4.548 . 0 0 "[ . 1 . 2]" 2
475 1 43 GLN H 1 45 LYS HB2 4.000 . 6.000 4.838 4.574 5.166 . 0 0 "[ . 1 . 2]" 2
476 1 40 ALA MB 1 43 GLN H 3.700 . 6.000 4.748 4.461 4.922 . 0 0 "[ . 1 . 2]" 2
477 1 41 GLN QG 1 43 GLN H 2.700 . 4.100 2.387 2.279 2.529 . 0 0 "[ . 1 . 2]" 2
478 1 40 ALA HA 1 43 GLN H 3.200 . 5.300 3.533 3.164 3.763 . 0 0 "[ . 1 . 2]" 2
479 1 42 TRP HZ3 1 43 GLN H 6.000 . 6.000 4.535 3.018 5.253 . 0 0 "[ . 1 . 2]" 2
480 1 42 TRP HD1 1 43 GLN H 2.800 . 4.400 2.654 2.565 2.793 . 0 0 "[ . 1 . 2]" 2
481 1 39 TRP HA 1 43 GLN HA 3.800 . 6.000 4.723 4.529 4.887 . 0 0 "[ . 1 . 2]" 2
482 1 43 GLN HA 1 45 LYS HA 4.000 . 6.000 5.489 5.253 5.741 . 0 0 "[ . 1 . 2]" 2
483 1 43 GLN HA 1 43 GLN QG 3.300 . 5.500 2.410 2.168 2.845 . 0 0 "[ . 1 . 2]" 2
484 1 43 GLN HA 1 50 ILE MG 4.500 . 6.000 5.523 4.362 6.950 0.950 9 2 "[ . +1 - 2]" 2
485 1 43 GLN HA 1 46 GLN QG 3.300 . 5.500 4.171 3.856 5.014 . 0 0 "[ . 1 . 2]" 2
486 1 39 TRP HD1 1 43 GLN HA 3.700 . 6.000 4.304 3.527 4.609 . 0 0 "[ . 1 . 2]" 2
487 1 42 TRP HD1 1 43 GLN HA 3.500 . 5.900 3.378 3.237 3.439 . 0 0 "[ . 1 . 2]" 2
488 1 40 ALA HA 1 43 GLN HB2 2.600 . 3.900 2.926 2.427 3.415 . 0 0 "[ . 1 . 2]" 2
489 1 42 TRP HB3 1 43 GLN HB2 2.600 . 4.000 2.986 2.956 3.006 . 0 0 "[ . 1 . 2]" 2
490 1 40 ALA HA 1 43 GLN QG 4.100 . 6.000 3.664 2.782 4.276 . 0 0 "[ . 1 . 2]" 2
491 1 43 GLN H 1 43 GLN QG 4.200 . 6.000 2.371 2.095 2.781 . 0 0 "[ . 1 . 2]" 2
492 1 40 ALA HA 1 43 GLN QG 4.500 . 6.000 3.687 2.787 4.320 . 0 0 "[ . 1 . 2]" 2
493 1 43 GLN H 1 44 HIS H 3.500 . 6.000 2.654 2.596 2.787 . 0 0 "[ . 1 . 2]" 2
494 1 41 GLN H 1 44 HIS H 3.000 . 6.000 4.779 4.623 4.966 . 0 0 "[ . 1 . 2]" 2
495 1 44 HIS H 1 44 HIS HA 2.500 . 3.800 2.786 2.753 2.814 . 0 0 "[ . 1 . 2]" 2
496 1 41 GLN QB 1 45 LYS H 4.100 . 6.000 4.932 4.502 5.599 . 0 0 "[ . 1 . 2]" 2
497 1 44 HIS HB2 1 45 LYS H 3.200 . 5.200 3.482 2.537 3.925 . 0 0 "[ . 1 . 2]" 2
498 1 43 GLN H 1 45 LYS H 3.600 . 6.000 2.644 2.483 2.774 . 0 0 "[ . 1 . 2]" 2
499 1 45 LYS HA 1 47 THR HB 3.400 . 5.700 5.300 4.980 5.725 0.025 17 0 "[ . 1 . 2]" 2
500 1 45 LYS HA 1 45 LYS HG3 3.900 . 6.000 3.247 3.008 3.662 . 0 0 "[ . 1 . 2]" 2
501 1 45 LYS HA 1 49 LEU QD 4.900 . 6.000 4.007 3.413 4.709 . 0 0 "[ . 1 . 2]" 2
502 1 45 LYS HA 1 46 GLN H 3.600 . 6.000 3.533 3.490 3.554 . 0 0 "[ . 1 . 2]" 2
503 1 44 HIS H 1 45 LYS HA 3.200 . 5.200 3.515 3.256 3.744 . 0 0 "[ . 1 . 2]" 2
504 1 44 HIS HB2 1 45 LYS HB3 4.100 . 6.000 4.089 2.051 5.122 . 0 0 "[ . 1 . 2]" 2
505 1 45 LYS HB3 1 49 LEU QD 4.000 . 6.000 4.122 3.322 5.007 . 0 0 "[ . 1 . 2]" 2
506 1 45 LYS HB3 1 49 LEU H 3.900 . 6.000 5.535 5.097 5.781 . 0 0 "[ . 1 . 2]" 2
507 1 44 HIS H 1 45 LYS HB3 4.000 . 6.000 4.568 4.412 4.859 . 0 0 "[ . 1 . 2]" 2
508 1 45 LYS QD 1 46 GLN HA 2.600 . 6.000 4.359 2.969 5.052 . 0 0 "[ . 1 . 2]" 2
509 1 45 LYS QD 1 47 THR MG 2.100 . 6.000 4.375 3.396 5.036 . 0 0 "[ . 1 . 2]" 2
510 1 45 LYS QD 1 47 THR HB 3.100 . 6.000 5.502 5.002 5.849 . 0 0 "[ . 1 . 2]" 2
511 1 45 LYS QD 1 45 LYS HG3 2.300 . 3.300 2.251 2.149 2.393 . 0 0 "[ . 1 . 2]" 2
512 1 45 LYS QD 1 49 LEU QD 3.100 . 5.100 2.442 1.992 3.271 . 0 0 "[ . 1 . 2]" 2
513 1 43 GLN H 1 45 LYS QD 3.400 . 5.700 4.287 3.641 4.578 . 0 0 "[ . 1 . 2]" 2
514 1 45 LYS HG3 1 46 GLN HA 4.100 . 6.000 4.101 3.122 6.095 0.095 11 0 "[ . 1 . 2]" 2
515 1 43 GLN H 1 45 LYS HG3 4.300 . 6.000 3.917 3.283 5.020 . 0 0 "[ . 1 . 2]" 2
516 1 42 TRP HB2 1 45 LYS HG2 2.200 . 6.000 5.991 5.377 6.741 0.741 17 3 "[ - .* 1 . + 2]" 2
517 1 45 LYS HG2 1 49 LEU QD 6.000 . 6.000 3.690 3.289 4.270 . 0 0 "[ . 1 . 2]" 2
518 1 45 LYS HB2 1 46 GLN H 2.600 . 4.000 2.527 2.406 2.699 . 0 0 "[ . 1 . 2]" 2
519 1 43 GLN QG 1 46 GLN H 3.600 . 6.000 3.922 3.826 3.966 . 0 0 "[ . 1 . 2]" 2
520 1 46 GLN H 1 47 THR HB 4.500 . 6.000 4.870 4.776 4.973 . 0 0 "[ . 1 . 2]" 2
521 1 42 TRP HZ2 1 46 GLN H 4.500 . 6.000 4.970 3.805 5.305 . 0 0 "[ . 1 . 2]" 2
522 1 45 LYS H 1 46 GLN H 3.100 . 5.000 2.663 2.492 2.813 . 0 0 "[ . 1 . 2]" 2
523 1 46 GLN HA 1 49 LEU HA 3.200 . 6.000 5.112 4.803 5.591 . 0 0 "[ . 1 . 2]" 2
524 1 46 GLN HA 1 46 GLN QG 3.000 . 4.800 2.299 1.984 2.560 . 0 0 "[ . 1 . 2]" 2
525 1 42 TRP HD1 1 46 GLN HA 3.600 . 6.000 4.263 4.159 4.445 . 0 0 "[ . 1 . 2]" 2
526 1 42 TRP HB3 1 46 GLN HB2 3.100 . 5.000 3.515 2.640 3.985 . 0 0 "[ . 1 . 2]" 2
527 1 46 GLN HB2 1 50 ILE QG 4.500 . 6.000 4.137 2.968 4.872 . 0 0 "[ . 1 . 2]" 2
528 1 46 GLN HB2 1 49 LEU QD 4.800 . 6.000 3.896 3.230 4.355 . 0 0 "[ . 1 . 2]" 2
529 1 42 TRP HB3 1 46 GLN HB3 3.500 . 6.000 2.670 2.114 3.140 . 0 0 "[ . 1 . 2]" 2
530 1 46 GLN HA 1 46 GLN QG 3.600 . 6.000 2.862 2.344 3.029 . 0 0 "[ . 1 . 2]" 2
531 1 46 GLN QG 1 50 ILE QG 3.600 . 6.000 2.236 1.804 2.910 . 0 0 "[ . 1 . 2]" 2
532 1 46 GLN QG 1 65 LEU QD 4.800 . 6.000 5.887 4.595 6.955 0.955 4 2 "[ +- 1 . 2]" 2
533 1 46 GLN QG 1 50 ILE MG 4.800 . 6.000 4.632 4.216 5.260 . 0 0 "[ . 1 . 2]" 2
534 1 45 LYS HG2 1 47 THR H 4.000 . 6.000 3.752 3.740 3.765 . 0 0 "[ . 1 . 2]" 2
535 1 43 GLN QG 1 47 THR H 4.000 . 6.000 3.627 3.277 3.829 . 0 0 "[ . 1 . 2]" 2
536 1 47 THR H 1 47 THR HB 3.100 . 5.000 2.596 2.549 2.642 . 0 0 "[ . 1 . 2]" 2
537 1 44 HIS H 1 47 THR H 2.700 . 4.100 2.699 2.570 2.810 . 0 0 "[ . 1 . 2]" 2
538 1 46 GLN H 1 47 THR H 3.400 . 5.800 2.706 2.591 2.840 . 0 0 "[ . 1 . 2]" 2
539 1 47 THR HA 1 51 ASN HB2 5.000 . 6.000 5.621 4.727 6.187 0.187 20 0 "[ . 1 . 2]" 2
540 1 43 GLN QG 1 47 THR HA 4.300 . 6.000 5.406 4.896 6.239 0.239 11 0 "[ . 1 . 2]" 2
541 1 46 GLN QG 1 47 THR HA 2.700 . 4.100 2.663 2.346 2.943 . 0 0 "[ . 1 . 2]" 2
542 1 46 GLN H 1 47 THR HA 3.500 . 6.000 3.349 3.145 3.695 . 0 0 "[ . 1 . 2]" 2
543 1 43 GLN QG 1 47 THR HB 4.000 . 6.000 5.346 5.103 5.510 . 0 0 "[ . 1 . 2]" 2
544 1 46 GLN H 1 47 THR HB 4.700 . 6.000 4.624 4.555 4.690 . 0 0 "[ . 1 . 2]" 2
545 1 47 THR MG 1 51 ASN HB2 5.100 . 6.000 4.312 3.253 5.123 . 0 0 "[ . 1 . 2]" 2
546 1 46 GLN QG 1 47 THR MG 4.000 . 6.000 3.564 3.248 4.132 . 0 0 "[ . 1 . 2]" 2
547 1 48 MET H 1 49 LEU QD 4.800 . 6.000 4.171 3.828 4.796 . 0 0 "[ . 1 . 2]" 2
548 1 45 LYS QD 1 48 MET H 5.000 . 6.000 4.629 4.193 5.036 . 0 0 "[ . 1 . 2]" 2
549 1 46 GLN HA 1 48 MET H 4.100 . 6.000 4.321 4.199 4.521 . 0 0 "[ . 1 . 2]" 2
550 1 45 LYS HA 1 48 MET H 3.700 . 6.000 3.162 3.023 3.270 . 0 0 "[ . 1 . 2]" 2
551 1 47 THR HB 1 48 MET H 3.000 . 4.800 2.404 2.288 2.513 . 0 0 "[ . 1 . 2]" 2
552 1 48 MET H 1 49 LEU H 3.200 . 5.300 2.641 2.525 2.752 . 0 0 "[ . 1 . 2]" 2
553 1 48 MET HA 1 49 LEU H 2.600 . 3.900 3.142 3.081 3.161 . 0 0 "[ . 1 . 2]" 2
554 1 45 LYS QD 1 48 MET QB 4.400 . 6.000 3.093 2.353 3.629 . 0 0 "[ . 1 . 2]" 2
555 1 47 THR MG 1 48 MET QB 3.600 . 6.000 3.730 3.244 4.029 . 0 0 "[ . 1 . 2]" 2
556 1 48 MET QB 1 49 LEU QD 4.000 . 6.000 3.199 2.617 4.180 . 0 0 "[ . 1 . 2]" 2
557 1 48 MET HA 1 48 MET HG3 2.900 . 4.500 2.280 2.140 2.409 . 0 0 "[ . 1 . 2]" 2
558 1 48 MET HG3 1 52 GLU HB3 4.300 . 6.000 2.937 2.331 3.715 . 0 0 "[ . 1 . 2]" 2
559 1 48 MET HG3 1 50 ILE QG 3.900 . 6.000 4.258 3.653 4.877 . 0 0 "[ . 1 . 2]" 2
560 1 48 MET HG3 1 53 LYS H 4.000 . 6.000 4.067 3.935 4.198 . 0 0 "[ . 1 . 2]" 2
561 1 47 THR HB 1 48 MET HG2 2.800 . 4.300 2.342 2.161 2.448 . 0 0 "[ . 1 . 2]" 2
562 1 48 MET HG2 1 53 LYS QE 4.600 . 6.000 4.381 2.358 5.718 . 0 0 "[ . 1 . 2]" 2
563 1 65 LEU QB 1 68 GLN QG 2.800 . 4.400 2.955 2.333 3.739 . 0 0 "[ . 1 . 2]" 2
564 1 48 MET HG2 1 53 LYS HG3 4.400 . 6.000 3.436 2.608 5.002 . 0 0 "[ . 1 . 2]" 2
565 1 47 THR MG 1 48 MET HG2 4.300 . 6.000 3.317 2.589 4.348 . 0 0 "[ . 1 . 2]" 2
566 1 65 LEU QD 1 68 GLN QG 3.700 . 6.000 3.804 3.447 4.581 . 0 0 "[ . 1 . 2]" 2
567 1 48 MET HG2 1 53 LYS H 4.200 . 6.000 3.979 3.866 4.130 . 0 0 "[ . 1 . 2]" 2
568 1 49 LEU H 1 49 LEU QD 3.700 . 6.000 2.700 2.247 3.407 . 0 0 "[ . 1 . 2]" 2
569 1 45 LYS QD 1 49 LEU H 3.200 . 5.300 4.034 3.403 4.440 . 0 0 "[ . 1 . 2]" 2
570 1 46 GLN QG 1 49 LEU H 3.300 . 5.500 4.661 4.302 4.904 . 0 0 "[ . 1 . 2]" 2
571 1 46 GLN HA 1 49 LEU H 3.100 . 5.000 3.240 3.012 3.501 . 0 0 "[ . 1 . 2]" 2
572 1 45 LYS HA 1 49 LEU H 4.700 . 6.000 3.877 3.654 4.030 . 0 0 "[ . 1 . 2]" 2
573 1 45 LYS QD 1 49 LEU HA 3.300 . 5.400 3.962 3.236 4.405 . 0 0 "[ . 1 . 2]" 2
574 1 49 LEU HA 1 53 LYS H 2.600 . 3.900 3.272 3.047 3.468 . 0 0 "[ . 1 . 2]" 2
575 1 46 GLN HA 1 49 LEU QB 1.900 . 2.600 2.210 1.812 2.831 0.231 20 0 "[ . 1 . 2]" 2
576 1 49 LEU QB 1 49 LEU QD 2.100 . 6.000 1.948 1.917 1.964 . 0 0 "[ . 1 . 2]" 2
577 1 49 LEU H 1 49 LEU QB 2.700 . 4.200 2.130 1.986 2.289 . 0 0 "[ . 1 . 2]" 2
578 1 49 LEU QB 1 52 GLU HB2 4.500 . 6.000 4.618 4.090 5.246 . 0 0 "[ . 1 . 2]" 2
579 1 45 LYS QD 1 49 LEU QB 4.300 . 6.000 3.071 2.471 3.755 . 0 0 "[ . 1 . 2]" 2
580 1 46 GLN HA 1 49 LEU QD 3.100 . 5.000 2.222 1.956 2.643 . 0 0 "[ . 1 . 2]" 2
581 1 48 MET QB 1 49 LEU QD 3.400 . 5.700 2.956 2.596 3.589 . 0 0 "[ . 1 . 2]" 2
582 1 49 LEU QB 1 49 LEU QD 2.400 . 3.500 1.951 1.918 1.965 . 0 0 "[ . 1 . 2]" 2
583 1 45 LYS QD 1 49 LEU QD 2.300 . 3.400 2.383 1.978 2.899 . 0 0 "[ . 1 . 2]" 2
584 1 49 LEU QB 1 49 LEU QD 2.000 . 2.800 1.949 1.905 1.960 . 0 0 "[ . 1 . 2]" 2
585 1 46 GLN QG 1 50 ILE H 2.700 . 4.200 2.589 2.297 2.771 . 0 0 "[ . 1 . 2]" 2
586 1 50 ILE H 1 51 ASN HB2 4.100 . 6.000 4.524 4.067 5.604 . 0 0 "[ . 1 . 2]" 2
587 1 47 THR HB 1 50 ILE HA 5.200 . 6.000 4.587 3.329 5.106 . 0 0 "[ . 1 . 2]" 2
588 1 48 MET HA 1 50 ILE HB 3.900 . 6.000 5.157 4.814 5.514 . 0 0 "[ . 1 . 2]" 2
589 1 50 ILE MD 1 53 LYS H 4.600 . 6.000 5.725 4.734 6.113 0.113 5 0 "[ . 1 . 2]" 2
590 1 50 ILE QG 1 51 ASN HA 4.100 . 6.000 2.954 1.957 3.622 . 0 0 "[ . 1 . 2]" 2
591 1 50 ILE QG 1 53 LYS HA 2.900 . 4.600 2.047 1.840 2.949 . 0 0 "[ . 1 . 2]" 2
592 1 47 THR HB 1 50 ILE QG 3.000 . 4.700 2.627 2.070 3.341 . 0 0 "[ . 1 . 2]" 2
593 1 50 ILE QG 1 53 LYS QE 3.200 . 5.200 3.995 2.592 5.136 . 0 0 "[ . 1 . 2]" 2
594 1 65 LEU QD 1 68 GLN QG 4.100 . 6.000 2.606 1.954 3.274 . 0 0 "[ . 1 . 2]" 2
595 1 65 LEU QB 1 65 LEU QD 2.000 . 2.800 1.799 1.744 1.851 0.056 17 0 "[ . 1 . 2]" 2
596 1 50 ILE QG 1 53 LYS H 3.400 . 5.700 3.194 2.250 3.391 . 0 0 "[ . 1 . 2]" 2
597 1 50 ILE QG 1 55 LEU H 4.200 . 6.000 3.314 2.652 3.605 . 0 0 "[ . 1 . 2]" 2
598 1 65 LEU QD 1 68 GLN H 4.200 . 6.000 4.274 3.910 4.633 . 0 0 "[ . 1 . 2]" 2
599 1 42 TRP HD1 1 66 LEU MD1 3.700 . 6.000 4.704 3.824 5.580 . 0 0 "[ . 1 . 2]" 2
600 1 42 TRP HZ2 1 65 LEU QD 3.500 . 5.900 2.204 1.619 3.303 0.181 19 0 "[ . 1 . 2]" 2
601 1 47 THR HB 1 50 ILE MG 4.300 . 6.000 3.805 3.218 4.403 . 0 0 "[ . 1 . 2]" 2
602 1 50 ILE MG 1 51 ASN HB2 4.200 . 6.000 3.712 2.772 4.328 . 0 0 "[ . 1 . 2]" 2
603 1 49 LEU QB 1 51 ASN H 3.000 . 4.800 2.666 2.406 3.038 . 0 0 "[ . 1 . 2]" 2
604 1 51 ASN H 1 51 ASN HB2 4.000 . 6.000 2.478 2.283 3.603 . 0 0 "[ . 1 . 2]" 2
605 1 47 THR HB 1 51 ASN H 4.600 . 6.000 4.533 4.419 4.665 . 0 0 "[ . 1 . 2]" 2
606 1 51 ASN HA 1 52 GLU HA 3.000 . 4.700 3.565 3.082 4.070 . 0 0 "[ . 1 . 2]" 2
607 1 50 ILE HB 1 51 ASN HA 3.000 . 4.800 4.240 4.000 4.673 . 0 0 "[ . 1 . 2]" 2
608 1 51 ASN HA 1 53 LYS HB2 4.100 . 6.000 5.563 4.995 6.402 0.402 5 0 "[ . 1 . 2]" 2
609 1 51 ASN HA 1 53 LYS HG3 3.400 . 5.700 4.916 3.724 6.296 0.596 12 1 "[ . 1 + . 2]" 2
610 1 47 THR HB 1 51 ASN HB2 4.100 . 6.000 3.145 2.636 4.732 . 0 0 "[ . 1 . 2]" 2
611 1 51 ASN HB2 1 52 GLU H 3.800 . 6.000 3.053 2.374 4.130 . 0 0 "[ . 1 . 2]" 2
612 1 51 ASN QD 1 52 GLU H 2.800 . 6.000 4.582 4.244 5.275 . 0 0 "[ . 1 . 2]" 2
613 1 52 GLU HA 1 53 LYS H 3.600 . 6.000 3.438 3.417 3.454 . 0 0 "[ . 1 . 2]" 2
614 1 49 LEU QB 1 53 LYS HA 2.400 . 3.500 2.467 2.380 2.544 . 0 0 "[ . 1 . 2]" 2
615 1 50 ILE QG 1 53 LYS HB3 3.900 . 6.000 4.924 3.895 5.766 . 0 0 "[ . 1 . 2]" 2
616 1 53 LYS QD 1 65 LEU QD 2.900 . 4.600 4.041 2.723 5.406 0.806 2 1 "[ + . 1 . 2]" 2
617 1 49 LEU QB 1 53 LYS QE 4.000 . 6.000 2.594 1.840 3.543 . 0 0 "[ . 1 . 2]" 2
618 1 49 LEU QD 1 53 LYS QE 3.000 . 4.800 2.609 1.974 3.737 . 0 0 "[ . 1 . 2]" 2
619 1 49 LEU QB 1 53 LYS HG3 1.900 . 6.000 2.846 2.546 2.969 . 0 0 "[ . 1 . 2]" 2
620 1 50 ILE MG 1 54 LYS H 3.900 . 6.000 4.260 3.869 4.808 . 0 0 "[ . 1 . 2]" 2
621 1 53 LYS HG3 1 54 LYS H 3.900 . 6.000 3.172 2.714 4.059 . 0 0 "[ . 1 . 2]" 2
622 1 52 GLU HA 1 54 LYS H 2.800 . 4.300 2.252 2.238 2.265 . 0 0 "[ . 1 . 2]" 2
623 1 54 LYS HG3 1 55 LEU HA 3.500 . 6.000 3.256 2.313 3.457 . 0 0 "[ . 1 . 2]" 2
624 1 54 LYS HA 1 54 LYS HG3 2.400 . 3.600 3.047 2.416 3.583 . 0 0 "[ . 1 . 2]" 2
625 1 54 LYS HE3 1 54 LYS HG3 2.400 . 3.600 2.179 2.020 2.344 . 0 0 "[ . 1 . 2]" 2
626 1 53 LYS H 1 54 LYS HG3 4.200 . 6.000 4.368 3.949 4.951 . 0 0 "[ . 1 . 2]" 2
627 1 50 ILE MG 1 55 LEU H 3.600 . 6.000 2.946 2.318 3.480 . 0 0 "[ . 1 . 2]" 2
628 1 55 LEU HA 1 56 ASN HB3 4.400 . 6.000 4.966 4.337 5.592 . 0 0 "[ . 1 . 2]" 2
629 1 53 LYS QE 1 55 LEU HA 5.900 . 6.000 3.958 2.960 4.997 . 0 0 "[ . 1 . 2]" 2
630 1 55 LEU HA 1 57 MET ME 3.900 . 6.000 5.642 4.188 6.393 0.393 3 0 "[ . 1 . 2]" 2
631 1 53 LYS HB2 1 55 LEU HA 2.600 . 4.000 2.220 2.134 2.365 . 0 0 "[ . 1 . 2]" 2
632 1 50 ILE MG 1 55 LEU HA 4.300 . 6.000 4.568 3.935 5.187 . 0 0 "[ . 1 . 2]" 2
633 1 55 LEU H 1 55 LEU HA 3.000 . 4.800 2.879 2.763 2.942 . 0 0 "[ . 1 . 2]" 2
634 1 53 LYS QE 1 55 LEU QB 3.400 . 5.800 2.713 1.890 3.526 . 0 0 "[ . 1 . 2]" 2
635 1 51 ASN HA 1 55 LEU QD 1.800 . 6.000 3.653 2.943 4.095 . 0 0 "[ . 1 . 2]" 2
636 1 52 GLU HA 1 55 LEU QD 2.200 . 3.200 2.399 1.961 3.305 0.105 2 0 "[ . 1 . 2]" 2
637 1 49 LEU QB 1 55 LEU QD 3.100 . 5.100 2.511 1.926 3.740 . 0 0 "[ . 1 . 2]" 2
638 1 53 LYS HB2 1 55 LEU QD 1.800 . 6.000 1.766 1.674 1.885 0.126 8 0 "[ . 1 . 2]" 2
639 1 53 LYS QE 1 55 LEU HG 5.000 . 6.000 4.120 2.872 4.928 . 0 0 "[ . 1 . 2]" 2
640 1 49 LEU QB 1 55 LEU HG 4.100 . 6.000 3.655 2.809 4.971 . 0 0 "[ . 1 . 2]" 2
641 1 50 ILE QG 1 55 LEU HG 2.100 . 3.000 2.834 2.036 3.606 0.606 5 3 "[ + 1 - .* 2]" 2
642 1 50 ILE H 1 55 LEU HG 4.900 . 6.000 5.102 4.715 5.438 . 0 0 "[ . 1 . 2]" 2
643 1 53 LYS H 1 55 LEU HG 5.100 . 6.000 4.376 3.647 5.219 . 0 0 "[ . 1 . 2]" 2
644 1 55 LEU H 1 55 LEU HG 3.600 . 6.000 2.136 1.802 2.600 . 0 0 "[ . 1 . 2]" 2
645 1 56 ASN H 1 57 MET ME 4.500 . 6.000 5.520 4.828 6.112 0.112 2 0 "[ . 1 . 2]" 2
646 1 53 LYS QE 1 56 ASN H 3.800 . 6.000 2.911 2.393 3.773 . 0 0 "[ . 1 . 2]" 2
647 1 56 ASN H 1 56 ASN HB3 3.600 . 6.000 3.065 2.414 3.662 . 0 0 "[ . 1 . 2]" 2
648 1 55 LEU H 1 56 ASN H 4.200 . 6.000 3.586 2.346 4.136 . 0 0 "[ . 1 . 2]" 2
649 1 56 ASN H 1 58 MET H 6.000 . 6.000 4.891 4.424 5.445 . 0 0 "[ . 1 . 2]" 2
650 1 56 ASN HA 1 57 MET HB3 6.000 . 6.000 5.216 4.422 5.501 . 0 0 "[ . 1 . 2]" 2
651 1 56 ASN HB3 1 57 MET H 5.100 . 6.000 3.687 2.826 4.360 . 0 0 "[ . 1 . 2]" 2
652 1 56 ASN QD 1 57 MET H 5.500 . 6.000 4.115 1.963 5.190 . 0 0 "[ . 1 . 2]" 2
653 1 50 ILE QG 1 57 MET HA 4.500 . 6.000 5.179 4.494 5.754 . 0 0 "[ . 1 . 2]" 2
654 1 57 MET HA 1 57 MET HB3 1.800 . 6.000 2.503 2.223 2.887 . 0 0 "[ . 1 . 2]" 2
655 1 57 MET HA 1 57 MET QG 2.600 . 3.900 2.456 1.875 2.878 . 0 0 "[ . 1 . 2]" 2
656 1 57 MET H 1 57 MET HB3 3.300 . 5.500 3.507 3.053 3.630 . 0 0 "[ . 1 . 2]" 2
657 1 71 VAL HB 1 75 PHE H 3.200 . 5.300 4.940 4.503 5.164 . 0 0 "[ . 1 . 2]" 2
658 1 57 MET ME 1 63 ARG HA 3.900 . 6.000 3.744 2.659 5.090 . 0 0 "[ . 1 . 2]" 2
659 1 57 MET ME 1 57 MET QG 3.200 . 5.200 2.202 2.084 2.396 . 0 0 "[ . 1 . 2]" 2
660 1 53 LYS QD 1 57 MET ME 4.200 . 6.000 5.945 4.804 7.395 1.395 10 4 "[ . +- .* * 2]" 2
661 1 50 ILE QG 1 57 MET ME 2.600 . 3.900 2.137 1.741 3.079 0.059 12 0 "[ . 1 . 2]" 2
662 1 56 ASN QD 1 57 MET ME 4.600 . 6.000 5.169 4.534 5.991 . 0 0 "[ . 1 . 2]" 2
663 1 42 TRP HZ2 1 57 MET ME 4.600 . 6.000 3.843 1.971 4.951 . 0 0 "[ . 1 . 2]" 2
664 1 58 MET H 1 58 MET ME 3.500 . 5.900 3.977 2.754 4.811 . 0 0 "[ . 1 . 2]" 2
665 1 57 MET QG 1 58 MET H 3.300 . 5.500 2.767 2.102 4.108 . 0 0 "[ . 1 . 2]" 2
666 1 57 MET HA 1 58 MET H 2.700 . 4.200 2.623 2.271 2.727 . 0 0 "[ . 1 . 2]" 2
667 1 57 MET HB2 1 58 MET HA 2.500 . 3.800 2.796 2.413 2.997 . 0 0 "[ . 1 . 2]" 2
668 1 57 MET HB3 1 58 MET HA 2.100 . 3.000 2.493 2.415 2.986 . 0 0 "[ . 1 . 2]" 2
669 1 58 MET H 1 58 MET ME 2.000 . 6.000 3.977 2.753 4.772 . 0 0 "[ . 1 . 2]" 2
670 1 58 MET H 1 58 MET HG2 4.400 . 6.000 3.225 2.122 4.313 . 0 0 "[ . 1 . 2]" 2
671 1 56 ASN HB3 1 59 ASN H 2.700 . 4.100 3.322 2.522 3.708 . 0 0 "[ . 1 . 2]" 2
672 1 57 MET HB3 1 59 ASN H 3.500 . 5.900 3.777 2.676 4.013 . 0 0 "[ . 1 . 2]" 2
673 1 56 ASN QD 1 59 ASN H 1.800 . 6.000 4.096 3.269 4.513 . 0 0 "[ . 1 . 2]" 2
674 1 59 ASN HA 1 59 ASN HB2 2.700 . 4.200 2.932 2.375 3.021 . 0 0 "[ . 1 . 2]" 2
675 1 58 MET ME 1 59 ASN HA 2.300 . 6.000 6.039 4.497 7.562 1.562 16 4 "[ . 1 -.+ **2]" 2
676 1 56 ASN QD 1 59 ASN HA 5.700 . 6.000 4.716 4.079 5.309 . 0 0 "[ . 1 . 2]" 2
677 1 55 LEU HA 1 59 ASN HB3 4.300 . 6.000 5.863 4.792 6.629 0.629 9 1 "[ . +1 . 2]" 2
678 1 57 MET ME 1 60 ALA HA 3.900 . 6.000 5.149 4.365 6.447 0.447 10 0 "[ . 1 . 2]" 2
679 1 56 ASN QD 1 60 ALA HA 4.100 . 6.000 3.914 3.501 5.265 . 0 0 "[ . 1 . 2]" 2
680 1 59 ASN HB2 1 60 ALA MB 4.700 . 6.000 3.664 3.271 4.808 . 0 0 "[ . 1 . 2]" 2
681 1 60 ALA MB 1 63 ARG HB2 4.000 . 6.000 3.850 3.149 4.648 . 0 0 "[ . 1 . 2]" 2
682 1 56 ASN QD 1 60 ALA MB 4.700 . 6.000 3.873 3.647 4.115 . 0 0 "[ . 1 . 2]" 2
683 1 59 ASN HB2 1 61 GLU H 3.300 . 5.500 2.114 1.651 3.608 0.149 13 0 "[ . 1 . 2]" 2
684 1 59 ASN HB3 1 61 GLU H 3.600 . 6.000 2.785 2.339 4.198 . 0 0 "[ . 1 . 2]" 2
685 1 56 ASN QD 1 61 GLU H 3.000 . 4.800 2.854 2.637 3.054 . 0 0 "[ . 1 . 2]" 2
686 1 61 GLU HA 1 61 GLU HB3 1.800 . 2.500 2.446 2.288 2.952 0.452 8 0 "[ . 1 . 2]" 2
687 1 61 GLU HA 1 64 LYS QD 2.300 . 3.400 3.393 2.320 3.890 0.490 19 0 "[ . 1 . 2]" 2
688 1 60 ALA MB 1 61 GLU HA 2.800 . 4.400 3.852 3.697 3.981 . 0 0 "[ . 1 . 2]" 2
689 1 61 GLU HA 1 66 LEU H 2.700 . 4.200 3.090 2.841 3.295 . 0 0 "[ . 1 . 2]" 2
690 1 61 GLU HA 1 64 LYS H 2.600 . 3.900 2.789 2.732 2.829 . 0 0 "[ . 1 . 2]" 2
691 1 42 TRP HZ2 1 64 LYS HA 3.800 . 6.000 5.877 5.154 6.333 0.333 2 0 "[ . 1 . 2]" 2
692 1 59 ASN HB2 1 61 GLU HB3 1.800 . 6.000 2.288 2.148 2.349 . 0 0 "[ . 1 . 2]" 2
693 1 56 ASN QD 1 61 GLU HB3 3.600 . 6.000 3.509 2.603 3.894 . 0 0 "[ . 1 . 2]" 2
694 1 56 ASN QD 1 61 GLU HB2 2.800 . 4.300 2.502 2.028 3.913 . 0 0 "[ . 1 . 2]" 2
695 1 60 ALA MB 1 61 GLU QG 3.000 . 4.800 3.584 3.229 4.014 . 0 0 "[ . 1 . 2]" 2
696 1 56 ASN QD 1 61 GLU QG 5.100 . 6.000 3.844 3.349 4.275 . 0 0 "[ . 1 . 2]" 2
697 1 50 ILE QG 1 62 HIS H 4.500 . 6.000 4.884 4.273 5.488 . 0 0 "[ . 1 . 2]" 2
698 1 57 MET ME 1 62 HIS H 3.500 . 5.900 4.293 4.014 4.795 . 0 0 "[ . 1 . 2]" 2
699 1 59 ASN HB3 1 62 HIS H 3.200 . 5.200 3.528 2.843 4.340 . 0 0 "[ . 1 . 2]" 2
700 1 61 GLU HA 1 62 HIS HA 3.000 . 4.800 4.530 4.440 4.678 . 0 0 "[ . 1 . 2]" 2
701 1 57 MET ME 1 62 HIS HA 2.300 . 3.400 2.149 1.840 2.745 . 0 0 "[ . 1 . 2]" 2
702 1 53 LYS QD 1 62 HIS HA 3.800 . 6.000 4.397 3.997 5.248 . 0 0 "[ . 1 . 2]" 2
703 1 50 ILE QG 1 62 HIS HA 3.700 . 6.000 2.996 1.957 3.834 . 0 0 "[ . 1 . 2]" 2
704 1 62 HIS H 1 62 HIS HA 2.600 . 3.900 2.675 2.520 2.732 . 0 0 "[ . 1 . 2]" 2
705 1 62 HIS QB 1 65 LEU QD 3.900 . 6.000 3.647 2.592 4.488 . 0 0 "[ . 1 . 2]" 2
706 1 50 ILE QG 1 62 HIS QB 3.900 . 6.000 3.547 2.586 4.355 . 0 0 "[ . 1 . 2]" 2
707 1 57 MET HA 1 62 HIS QB 3.500 . 5.900 2.991 1.884 3.882 . 0 0 "[ . 1 . 2]" 2
708 1 50 ILE QG 1 63 ARG H 4.100 . 6.000 5.049 4.428 5.365 . 0 0 "[ . 1 . 2]" 2
709 1 57 MET ME 1 63 ARG H 3.400 . 5.700 4.014 3.756 4.163 . 0 0 "[ . 1 . 2]" 2
710 1 62 HIS H 1 63 ARG H 2.900 . 4.500 2.323 2.181 2.638 . 0 0 "[ . 1 . 2]" 2
711 1 46 GLN QG 1 63 ARG HA 2.200 . 3.100 2.423 2.243 2.761 . 0 0 "[ . 1 . 2]" 2
712 1 62 HIS H 1 63 ARG HA 2.900 . 4.500 3.491 3.444 3.523 . 0 0 "[ . 1 . 2]" 2
713 1 64 LYS H 1 65 LEU QD 5.400 . 6.000 5.021 4.290 5.348 . 0 0 "[ . 1 . 2]" 2
714 1 60 ALA HA 1 64 LYS H 3.700 . 6.000 3.902 3.499 5.233 . 0 0 "[ . 1 . 2]" 2
715 1 62 HIS HA 1 64 LYS H 3.800 . 6.000 4.463 4.123 4.904 . 0 0 "[ . 1 . 2]" 2
716 1 61 GLU HA 1 64 LYS HB3 2.000 . 2.800 2.468 2.390 2.592 . 0 0 "[ . 1 . 2]" 2
717 1 64 LYS HB3 1 66 LEU H 3.200 . 5.200 5.103 4.620 5.303 0.103 20 0 "[ . 1 . 2]" 2
718 1 63 ARG H 1 64 LYS QD 2.300 . 6.000 5.748 5.428 6.031 0.031 17 0 "[ . 1 . 2]" 2
719 1 61 GLU HA 1 64 LYS QG 3.000 . 4.800 2.574 2.054 2.943 . 0 0 "[ . 1 . 2]" 2
720 1 65 LEU H 1 65 LEU QD 4.700 . 6.000 3.428 2.664 3.738 . 0 0 "[ . 1 . 2]" 2
721 1 63 ARG HB2 1 65 LEU H 2.400 . 3.500 2.189 2.059 2.417 . 0 0 "[ . 1 . 2]" 2
722 1 62 HIS HA 1 65 LEU H 3.400 . 5.700 3.192 2.759 3.710 . 0 0 "[ . 1 . 2]" 2
723 1 42 TRP HZ2 1 65 LEU H 4.800 . 6.000 6.208 5.248 6.637 0.637 2 3 "[ +- . 1 .* 2]" 2
724 1 65 LEU H 1 66 LEU H 3.000 . 4.700 2.727 2.604 2.860 . 0 0 "[ . 1 . 2]" 2
725 1 65 LEU HA 1 68 GLN QB 2.900 . 4.600 2.745 2.265 3.098 . 0 0 "[ . 1 . 2]" 2
726 1 65 LEU HA 1 65 LEU QB 2.200 . 3.100 2.416 2.316 2.534 . 0 0 "[ . 1 . 2]" 2
727 1 65 LEU HA 1 66 LEU H 3.200 . 5.300 3.418 3.373 3.466 . 0 0 "[ . 1 . 2]" 2
728 1 62 HIS HA 1 65 LEU QB 3.600 . 5.500 2.154 1.841 2.760 . 0 0 "[ . 1 . 2]" 2
729 1 65 LEU QB 1 66 LEU HA 3.000 . 4.700 3.979 3.649 4.160 . 0 0 "[ . 1 . 2]" 2
730 1 53 LYS QD 1 65 LEU QB 3.800 . 6.000 5.442 4.009 6.490 0.490 13 0 "[ . 1 . 2]" 2
731 1 65 LEU QB 1 66 LEU H 2.000 . 2.800 2.381 2.215 2.534 . 0 0 "[ . 1 . 2]" 2
732 1 64 LYS H 1 65 LEU QB 2.800 . 4.400 2.187 2.059 2.418 . 0 0 "[ . 1 . 2]" 2
733 1 62 HIS HA 1 65 LEU QD 4.100 . 6.000 2.969 1.957 3.662 . 0 0 "[ . 1 . 2]" 2
734 1 65 LEU QD 1 66 LEU HA 4.400 . 6.000 3.931 3.075 4.802 . 0 0 "[ . 1 . 2]" 2
735 1 65 LEU QD 1 69 GLU QG 2.400 . 3.600 2.569 1.957 3.319 . 0 0 "[ . 1 . 2]" 2
736 1 53 LYS QD 1 65 LEU QD 2.400 . 6.000 3.559 2.695 4.356 . 0 0 "[ . 1 . 2]" 2
737 1 65 LEU QD 1 70 MET H 3.600 . 6.000 5.660 4.992 6.396 0.396 7 0 "[ . 1 . 2]" 2
738 1 65 LEU QD 1 68 GLN H 4.100 . 6.000 4.484 4.008 4.856 . 0 0 "[ . 1 . 2]" 2
739 1 65 LEU QD 1 68 GLN HE22 5.000 . 6.000 3.827 2.153 5.479 . 0 0 "[ . 1 . 2]" 2
740 1 42 TRP HZ2 1 65 LEU QD 3.600 . 6.000 3.982 2.376 5.093 . 0 0 "[ . 1 . 2]" 2
741 1 65 LEU QD 1 66 LEU H 4.300 . 6.000 3.584 3.234 3.902 . 0 0 "[ . 1 . 2]" 2
742 1 65 LEU QD 1 66 LEU H 3.600 . 6.000 3.385 2.264 3.620 . 0 0 "[ . 1 . 2]" 2
743 1 65 LEU QB 1 66 LEU H 2.500 . 3.800 2.171 2.050 2.326 . 0 0 "[ . 1 . 2]" 2
744 1 66 LEU H 1 67 GLU QB 4.100 . 6.000 3.772 3.599 3.990 . 0 0 "[ . 1 . 2]" 2
745 1 63 ARG HA 1 66 LEU H 2.900 . 4.600 2.700 2.630 2.775 . 0 0 "[ . 1 . 2]" 2
746 1 62 HIS HA 1 66 LEU H 4.400 . 6.000 3.924 3.559 4.497 . 0 0 "[ . 1 . 2]" 2
747 1 42 TRP HZ2 1 66 LEU H 5.000 . 6.000 5.033 4.331 5.989 . 0 0 "[ . 1 . 2]" 2
748 1 46 GLN HB2 1 66 LEU HA 4.000 . 6.000 6.037 5.455 6.713 0.713 6 2 "[ .+ 1 .- 2]" 2
749 1 66 LEU HA 1 67 GLU QB 2.200 . 3.200 2.215 1.954 2.306 . 0 0 "[ . 1 . 2]" 2
750 1 57 MET ME 1 66 LEU HA 2.400 . 6.000 4.590 3.518 5.937 . 0 0 "[ . 1 . 2]" 2
751 1 68 GLN HA 1 78 LYS H 3.600 . 6.000 5.824 5.308 6.705 0.705 3 1 "[ + . 1 . 2]" 2
752 1 66 LEU H 1 66 LEU HA 2.700 . 4.200 2.683 2.644 2.717 . 0 0 "[ . 1 . 2]" 2
753 1 63 ARG HA 1 66 LEU HG 2.600 . 3.900 2.826 2.437 3.245 . 0 0 "[ . 1 . 2]" 2
754 1 65 LEU QD 1 66 LEU HG 2.300 . 3.400 2.124 2.117 2.130 . 0 0 "[ . 1 . 2]" 2
755 1 66 LEU H 1 66 LEU HG 3.900 . 6.000 3.595 2.213 4.057 . 0 0 "[ . 1 . 2]" 2
756 1 42 TRP HD1 1 66 LEU HG 4.300 . 6.000 6.788 5.692 9.377 3.377 16 12 "[* - *****1 *+ ***]" 2
757 1 26 LEU HG 1 67 GLU H 1.800 . 6.000 5.117 4.955 5.303 . 0 0 "[ . 1 . 2]" 2
758 1 65 LEU QB 1 67 GLU H 2.700 . 4.200 2.481 2.263 3.293 . 0 0 "[ . 1 . 2]" 2
759 1 67 GLU H 1 67 GLU QB 2.500 . 3.800 2.196 1.986 2.247 . 0 0 "[ . 1 . 2]" 2
760 1 67 GLU HA 1 67 GLU QB 2.300 . 3.300 2.166 2.118 2.275 . 0 0 "[ . 1 . 2]" 2
761 1 67 GLU HA 1 71 VAL QG 2.700 . 4.200 3.515 2.926 3.946 . 0 0 "[ . 1 . 2]" 2
762 1 26 LEU QD 1 67 GLU HA 3.000 . 6.000 4.828 4.192 5.313 . 0 0 "[ . 1 . 2]" 2
763 1 67 GLU QG 1 80 VAL QG 4.600 . 6.000 4.702 3.222 6.060 0.060 18 0 "[ . 1 . 2]" 2
764 1 30 ILE MD 1 67 GLU QG 4.400 . 6.000 4.394 3.218 5.270 . 0 0 "[ . 1 . 2]" 2
765 1 67 GLU QB 1 68 GLN H 2.100 . 3.000 2.098 1.968 2.179 . 0 0 "[ . 1 . 2]" 2
766 1 66 LEU HA 1 68 GLN H 2.700 . 4.200 2.760 2.729 2.797 . 0 0 "[ . 1 . 2]" 2
767 1 66 LEU H 1 68 GLN H 2.400 . 3.600 2.747 2.590 2.924 . 0 0 "[ . 1 . 2]" 2
768 1 68 GLN HA 1 68 GLN QB 2.300 . 3.400 2.375 2.338 2.415 . 0 0 "[ . 1 . 2]" 2
769 1 66 LEU HA 1 68 GLN QB 2.400 . 3.600 2.372 2.337 2.412 . 0 0 "[ . 1 . 2]" 2
770 1 65 LEU HG 1 68 GLN QB 3.600 . 6.000 4.457 3.865 5.122 . 0 0 "[ . 1 . 2]" 2
771 1 69 GLU H 1 69 GLU QB 2.100 . 3.000 2.068 1.863 2.188 . 0 0 "[ . 1 . 2]" 2
772 1 66 LEU HA 1 69 GLU H 2.400 . 3.600 2.648 2.512 2.709 . 0 0 "[ . 1 . 2]" 2
773 1 68 GLN H 1 69 GLU H 2.900 . 4.600 2.809 2.642 2.977 . 0 0 "[ . 1 . 2]" 2
774 1 65 LEU QD 1 69 GLU QB 3.900 . 6.000 3.655 2.293 4.328 . 0 0 "[ . 1 . 2]" 2
775 1 66 LEU HA 1 69 GLU QG 2.700 . 3.300 2.442 2.161 2.776 . 0 0 "[ . 1 . 2]" 2
776 1 65 LEU QB 1 69 GLU QG 2.900 . 6.000 4.016 3.351 4.841 . 0 0 "[ . 1 . 2]" 2
777 1 46 GLN QG 1 69 GLU QG 3.900 . 6.000 3.910 3.316 4.474 . 0 0 "[ . 1 . 2]" 2
778 1 65 LEU QD 1 69 GLU QG 2.200 . 3.200 2.442 1.946 3.292 0.092 6 0 "[ . 1 . 2]" 2
779 1 26 LEU QD 1 70 MET H 4.200 . 6.000 5.967 5.410 6.491 0.491 2 0 "[ . 1 . 2]" 2
780 1 65 LEU QD 1 70 MET H 4.000 . 6.000 4.030 3.864 4.188 . 0 0 "[ . 1 . 2]" 2
781 1 70 MET H 1 70 MET ME 4.900 . 6.000 4.247 3.800 5.356 . 0 0 "[ . 1 . 2]" 2
782 1 67 GLU QG 1 70 MET H 3.400 . 5.700 2.569 2.433 2.816 . 0 0 "[ . 1 . 2]" 2
783 1 70 MET H 1 73 PHE QB 5.400 . 6.000 4.901 4.536 5.237 . 0 0 "[ . 1 . 2]" 2
784 1 66 LEU HA 1 70 MET H 3.400 . 5.700 3.657 3.310 3.795 . 0 0 "[ . 1 . 2]" 2
785 1 42 TRP HD1 1 70 MET H 5.600 . 6.000 6.116 5.088 6.812 0.812 20 2 "[ . 1 .- +]" 2
786 1 68 GLN H 1 70 MET H 3.200 . 5.200 2.750 2.670 2.842 . 0 0 "[ . 1 . 2]" 2
787 1 71 VAL H 1 78 LYS QG 4.100 . 6.000 4.783 3.774 5.592 . 0 0 "[ . 1 . 2]" 2
788 1 71 VAL H 1 73 PHE QB 6.000 . 6.000 4.804 3.647 5.467 . 0 0 "[ . 1 . 2]" 2
789 1 68 GLN HA 1 71 VAL HA 4.200 . 6.000 5.276 4.986 5.416 . 0 0 "[ . 1 . 2]" 2
790 1 70 MET ME 1 71 VAL HA 3.600 . 6.000 4.448 3.430 5.233 . 0 0 "[ . 1 . 2]" 2
791 1 71 VAL HA 1 75 PHE H 3.300 . 5.400 3.122 2.816 3.650 . 0 0 "[ . 1 . 2]" 2
792 1 30 ILE MD 1 71 VAL HB 3.500 . 5.900 4.481 3.941 4.832 . 0 0 "[ . 1 . 2]" 2
793 1 68 GLN HA 1 71 VAL QG 4.200 . 6.000 3.511 2.784 4.197 . 0 0 "[ . 1 . 2]" 2
794 1 71 VAL QG 1 75 PHE QB 3.600 . 6.000 2.251 1.912 2.753 . 0 0 "[ . 1 . 2]" 2
795 1 68 GLN QG 1 71 VAL QG 6.000 . 6.000 4.601 3.921 5.218 . 0 0 "[ . 1 . 2]" 2
796 1 70 MET ME 1 71 VAL QG 3.700 . 6.000 2.588 1.846 3.405 . 0 0 "[ . 1 . 2]" 2
797 1 30 ILE MD 1 71 VAL QG 3.800 . 4.800 3.374 2.468 3.836 . 0 0 "[ . 1 . 2]" 2
798 1 70 MET H 1 71 VAL QG 5.200 . 6.000 3.825 2.990 4.064 . 0 0 "[ . 1 . 2]" 2
799 1 71 VAL QG 1 75 PHE H 4.000 . 6.000 3.283 2.874 3.592 . 0 0 "[ . 1 . 2]" 2
800 1 68 GLN HA 1 71 VAL QG 3.500 . 6.000 3.522 2.786 4.220 . 0 0 "[ . 1 . 2]" 2
801 1 30 ILE HB 1 71 VAL QG 4.000 . 6.000 4.931 4.196 5.207 . 0 0 "[ . 1 . 2]" 2
802 1 70 MET HB2 1 71 VAL QG 3.300 . 5.500 2.345 1.821 3.619 . 0 0 "[ . 1 . 2]" 2
803 1 29 ARG HG2 1 71 VAL QG 2.800 . 4.300 2.697 1.892 3.379 . 0 0 "[ . 1 . 2]" 2
804 1 71 VAL QG 1 75 PHE H 3.700 . 6.000 3.328 2.957 3.637 . 0 0 "[ . 1 . 2]" 2
805 1 30 ILE MD 1 72 SER H 4.500 . 6.000 3.954 3.546 5.126 . 0 0 "[ . 1 . 2]" 2
806 1 70 MET ME 1 72 SER H 3.000 . 4.800 3.460 2.878 4.727 . 0 0 "[ . 1 . 2]" 2
807 1 70 MET HB2 1 72 SER H 4.400 . 6.000 4.339 3.892 4.842 . 0 0 "[ . 1 . 2]" 2
808 1 68 GLN QB 1 72 SER H 3.100 . 5.000 2.888 2.694 3.293 . 0 0 "[ . 1 . 2]" 2
809 1 72 SER H 1 73 PHE QB 6.000 . 6.000 3.855 3.081 4.211 . 0 0 "[ . 1 . 2]" 2
810 1 72 SER H 1 73 PHE QB 5.700 . 6.000 4.116 3.877 4.326 . 0 0 "[ . 1 . 2]" 2
811 1 42 TRP HD1 1 72 SER H 5.700 . 6.000 7.233 6.466 7.728 1.728 20 19 [*-************.****+] 2
812 1 68 GLN HE21 1 72 SER H 4.300 . 6.000 4.584 4.218 4.871 . 0 0 "[ . 1 . 2]" 2
813 1 72 SER HA 1 75 PHE QB 2.500 . 6.000 4.411 3.794 4.833 . 0 0 "[ . 1 . 2]" 2
814 1 72 SER HA 1 73 PHE QB 5.100 . 6.000 3.791 2.291 4.818 . 0 0 "[ . 1 . 2]" 2
815 1 68 GLN QB 1 72 SER HA 3.400 . 5.700 3.928 3.323 4.316 . 0 0 "[ . 1 . 2]" 2
816 1 72 SER HA 1 78 LYS QG 1.900 . 2.600 2.541 1.971 2.985 0.385 11 0 "[ . 1 . 2]" 2
817 1 72 SER H 1 72 SER HA 2.200 . 3.200 2.850 2.812 2.916 . 0 0 "[ . 1 . 2]" 2
818 1 68 GLN QB 1 72 SER QB 3.400 . 5.800 3.556 3.193 4.122 . 0 0 "[ . 1 . 2]" 2
819 1 72 SER QB 1 73 PHE QB 3.600 . 6.000 3.699 3.498 4.300 . 0 0 "[ . 1 . 2]" 2
820 1 72 SER QB 1 73 PHE QB 4.400 . 6.000 2.927 2.063 3.745 . 0 0 "[ . 1 . 2]" 2
821 1 42 TRP HD1 1 73 PHE H 4.300 . 6.000 5.717 5.138 5.996 . 0 0 "[ . 1 . 2]" 2
822 1 69 GLU QB 1 73 PHE HA 2.600 . 3.900 3.601 2.722 4.003 0.103 2 0 "[ . 1 . 2]" 2
823 1 30 ILE MG 1 73 PHE HA 3.800 . 6.000 4.711 4.051 4.944 . 0 0 "[ . 1 . 2]" 2
824 1 42 TRP HD1 1 73 PHE HA 3.500 . 6.000 4.592 4.527 4.696 . 0 0 "[ . 1 . 2]" 2
825 1 70 MET HB2 1 74 LEU H 2.800 . 4.400 2.639 2.404 4.019 . 0 0 "[ . 1 . 2]" 2
826 1 73 PHE QB 1 74 LEU H 2.800 . 4.400 2.523 2.271 2.857 . 0 0 "[ . 1 . 2]" 2
827 1 42 TRP HB2 1 74 LEU H 3.400 . 5.700 2.535 2.276 2.885 . 0 0 "[ . 1 . 2]" 2
828 1 71 VAL H 1 74 LEU H 3.300 . 5.400 2.480 2.254 2.681 . 0 0 "[ . 1 . 2]" 2
829 1 39 TRP HE3 1 74 LEU QB 4.800 . 6.000 4.131 3.089 4.778 . 0 0 "[ . 1 . 2]" 2
830 1 39 TRP HA 1 74 LEU QD 3.800 . 6.000 1.952 1.859 2.386 . 0 0 "[ . 1 . 2]" 2
831 1 39 TRP HB3 1 74 LEU QD 2.300 . 6.000 4.228 3.968 4.506 . 0 0 "[ . 1 . 2]" 2
832 1 42 TRP HB2 1 74 LEU QD 4.500 . 4.800 2.298 1.884 2.667 . 0 0 "[ . 1 . 2]" 2
833 1 67 GLU QG 1 74 LEU QD 1.800 . 6.000 2.133 1.923 2.900 . 0 0 "[ . 1 . 2]" 2
834 1 39 TRP HB3 1 74 LEU QD 2.300 . 6.000 3.253 2.185 3.459 . 0 0 "[ . 1 . 2]" 2
835 1 17 GLN QB 1 74 LEU QD 2.200 . 6.000 4.660 4.308 4.853 . 0 0 "[ . 1 . 2]" 2
836 1 74 LEU HG 1 75 PHE H 4.300 . 6.000 4.438 4.302 5.067 . 0 0 "[ . 1 . 2]" 2
837 1 69 GLU QB 1 75 PHE H 3.900 . 6.000 3.974 3.568 4.410 . 0 0 "[ . 1 . 2]" 2
838 1 73 PHE QB 1 75 PHE H 3.300 . 5.500 2.386 2.262 2.532 . 0 0 "[ . 1 . 2]" 2
839 1 72 SER QB 1 75 PHE H 3.200 . 5.300 3.499 3.444 3.538 . 0 0 "[ . 1 . 2]" 2
840 1 8 THR HA 1 76 GLU H 3.600 . 6.000 4.281 3.960 4.512 . 0 0 "[ . 1 . 2]" 2
841 1 11 GLN HA 1 76 GLU QB 1.900 . 6.000 4.453 4.267 4.647 . 0 0 "[ . 1 . 2]" 2
842 1 72 SER QB 1 76 GLU QG 3.500 . 6.000 4.648 3.498 5.365 . 0 0 "[ . 1 . 2]" 2
843 1 77 GLY H 1 80 VAL QG 6.000 . 6.000 6.695 5.292 7.757 1.757 20 13 "[*-* * ***1** * **+]" 2
844 1 68 GLN QB 1 77 GLY H 3.500 . 6.000 3.491 2.089 4.014 . 0 0 "[ . 1 . 2]" 2
845 1 75 PHE QB 1 77 GLY H 5.400 . 6.000 3.286 2.188 4.292 . 0 0 "[ . 1 . 2]" 2
846 1 73 PHE QB 1 77 GLY H 3.000 . 4.800 3.327 2.190 4.371 . 0 0 "[ . 1 . 2]" 2
847 1 68 GLN QB 1 77 GLY HA3 2.300 . 6.000 4.243 3.463 4.786 . 0 0 "[ . 1 . 2]" 2
848 1 68 GLN QB 1 78 LYS H 3.400 . 5.800 7.242 6.731 7.677 1.877 15 20 [*****-********+*****] 2
849 1 73 PHE QB 1 78 LYS H 2.400 . 6.000 5.105 4.156 5.540 . 0 0 "[ . 1 . 2]" 2
850 1 72 SER QB 1 78 LYS HA 5.100 . 6.000 4.434 4.290 4.516 . 0 0 "[ . 1 . 2]" 2
851 1 68 GLN QG 1 78 LYS HA 5.000 . 6.000 4.961 4.214 5.635 . 0 0 "[ . 1 . 2]" 2
852 1 78 LYS HA 1 80 VAL QG 4.800 . 6.000 4.498 3.611 5.192 . 0 0 "[ . 1 . 2]" 2
853 1 78 LYS QB 1 78 LYS QG 2.000 . 2.800 2.018 1.982 2.071 . 0 0 "[ . 1 . 2]" 2
854 1 78 LYS QB 1 80 VAL QG 5.100 . 6.000 3.190 2.495 3.607 . 0 0 "[ . 1 . 2]" 2
855 1 78 LYS H 1 78 LYS QB 3.100 . 4.500 2.393 2.077 2.795 . 0 0 "[ . 1 . 2]" 2
856 1 72 SER QB 1 78 LYS QB 5.100 . 6.000 4.111 2.821 4.902 . 0 0 "[ . 1 . 2]" 2
857 1 68 GLN HA 1 78 LYS QD 3.100 . 5.000 3.915 2.446 5.456 0.456 14 0 "[ . 1 . 2]" 2
858 1 78 LYS H 1 78 LYS QD 3.900 . 6.000 2.672 1.670 4.023 0.130 17 0 "[ . 1 . 2]" 2
859 1 68 GLN QG 1 79 ASP H 3.100 . 5.100 3.084 2.303 3.820 . 0 0 "[ . 1 . 2]" 2
860 1 78 LYS H 1 79 ASP H 2.600 . 4.000 2.180 1.951 2.679 . 0 0 "[ . 1 . 2]" 2
861 1 78 LYS QG 1 79 ASP HA 3.100 . 6.000 5.097 4.541 5.799 . 0 0 "[ . 1 . 2]" 2
862 1 79 ASP HA 1 80 VAL QG 4.300 . 6.000 4.564 4.360 4.727 . 0 0 "[ . 1 . 2]" 2
863 1 79 ASP HA 1 80 VAL HA 4.300 . 6.000 4.037 3.978 4.082 . 0 0 "[ . 1 . 2]" 2
864 1 68 GLN QB 1 80 VAL HA 3.300 . 6.000 6.248 5.910 6.631 0.631 10 1 "[ . + . 2]" 2
865 1 72 SER H 1 80 VAL HB 2.500 . 6.000 6.986 6.220 7.787 1.787 2 17 "[-+ ************* * *]" 2
866 1 72 SER QB 1 81 HIS H 4.100 . 6.000 6.962 5.156 8.334 2.334 5 14 "[****+ * ******* - 2]" 2
867 1 68 GLN HE22 1 81 HIS H 5.500 . 6.000 3.593 1.962 4.948 . 0 0 "[ . 1 . 2]" 2
868 1 68 GLN HE22 1 81 HIS HA 4.100 . 6.000 3.222 2.353 4.297 . 0 0 "[ . 1 . 2]" 2
869 1 78 LYS QE 1 82 ILE H 3.500 . 6.000 3.135 2.579 3.698 . 0 0 "[ . 1 . 2]" 2
870 1 69 GLU HA 1 82 ILE H 3.000 . 4.800 2.909 2.842 2.944 . 0 0 "[ . 1 . 2]" 2
871 1 68 GLN HE22 1 82 ILE H 4.200 . 6.000 4.231 2.729 5.667 . 0 0 "[ . 1 . 2]" 2
872 1 69 GLU HA 1 82 ILE MD 2.900 . 4.600 2.460 1.925 3.103 . 0 0 "[ . 1 . 2]" 2
873 1 79 ASP HA 1 82 ILE MD 2.200 . 6.000 4.841 4.080 5.061 . 0 0 "[ . 1 . 2]" 2
874 1 67 GLU HA 1 82 ILE MD 2.300 . 6.000 5.453 4.651 5.820 . 0 0 "[ . 1 . 2]" 2
875 1 73 PHE QB 1 82 ILE MD 2.200 . 6.000 2.942 1.995 4.293 . 0 0 "[ . 1 . 2]" 2
876 1 70 MET H 1 82 ILE MD 2.000 . 6.000 4.844 4.591 5.323 . 0 0 "[ . 1 . 2]" 2
877 1 78 LYS H 1 82 ILE MD 1.800 . 6.000 5.458 4.528 6.248 0.248 5 0 "[ . 1 . 2]" 2
878 1 9 TYR QD 1 82 ILE MD 1.900 . 6.000 4.648 3.970 5.302 . 0 0 "[ . 1 . 2]" 2
879 1 53 LYS QE 1 82 ILE MG 2.600 . 6.000 4.694 4.211 5.863 . 0 0 "[ . 1 . 2]" 2
880 1 72 SER H 1 82 ILE MG 4.800 . 6.000 5.803 5.242 6.345 0.345 11 0 "[ . 1 . 2]" 2
881 1 65 LEU QB 1 83 GLU H 3.400 . 5.800 6.555 5.468 7.583 1.783 13 13 "[-**** ** ***+ * *2]" 2
882 1 69 GLU QG 1 83 GLU H 3.800 . 6.000 2.866 2.207 3.509 . 0 0 "[ . 1 . 2]" 2
883 1 68 GLN HE22 1 83 GLU H 4.300 . 6.000 3.819 2.410 5.586 . 0 0 "[ . 1 . 2]" 2
884 1 82 ILE H 1 83 GLU H 4.600 . 6.000 4.094 3.803 4.478 . 0 0 "[ . 1 . 2]" 2
885 1 68 GLN HE22 1 85 TYR H 3.400 . 5.700 4.584 3.828 6.145 0.445 11 0 "[ . 1 . 2]" 2
886 1 87 PRO HG3 1 88 GLU H 2.800 . 4.300 2.868 2.280 3.713 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 238
_Distance_constraint_stats_list.Viol_total 152.911
_Distance_constraint_stats_list.Viol_max 0.187
_Distance_constraint_stats_list.Viol_rms 0.0189
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0074
_Distance_constraint_stats_list.Viol_average_violations_only 0.0321
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ARG 0.279 0.056 16 0 "[ . 1 . 2]"
1 5 ILE 0.443 0.067 9 0 "[ . 1 . 2]"
1 14 ALA 0.443 0.067 9 0 "[ . 1 . 2]"
1 16 GLY 0.279 0.056 16 0 "[ . 1 . 2]"
1 25 GLU 0.083 0.055 10 0 "[ . 1 . 2]"
1 26 LEU 0.314 0.054 18 0 "[ . 1 . 2]"
1 27 GLY 0.188 0.040 10 0 "[ . 1 . 2]"
1 28 LYS 0.811 0.187 8 0 "[ . 1 . 2]"
1 29 ARG 0.083 0.055 10 0 "[ . 1 . 2]"
1 30 ILE 0.314 0.054 18 0 "[ . 1 . 2]"
1 31 TYR 0.188 0.040 10 0 "[ . 1 . 2]"
1 32 ASN 0.811 0.187 8 0 "[ . 1 . 2]"
1 37 ASP 0.134 0.039 14 0 "[ . 1 . 2]"
1 38 ALA 0.017 0.017 7 0 "[ . 1 . 2]"
1 39 TRP 0.010 0.006 9 0 "[ . 1 . 2]"
1 40 ALA 0.015 0.015 11 0 "[ . 1 . 2]"
1 41 GLN 0.184 0.039 14 0 "[ . 1 . 2]"
1 42 TRP 1.276 0.122 20 0 "[ . 1 . 2]"
1 43 GLN 0.046 0.019 3 0 "[ . 1 . 2]"
1 44 HIS 0.263 0.041 6 0 "[ . 1 . 2]"
1 45 LYS 0.077 0.037 5 0 "[ . 1 . 2]"
1 46 GLN 1.802 0.122 20 0 "[ . 1 . 2]"
1 47 THR 0.223 0.051 14 0 "[ . 1 . 2]"
1 48 MET 0.247 0.041 6 0 "[ . 1 . 2]"
1 49 LEU 0.027 0.015 17 0 "[ . 1 . 2]"
1 50 ILE 0.542 0.091 14 0 "[ . 1 . 2]"
1 51 ASN 0.187 0.051 14 0 "[ . 1 . 2]"
1 61 GLU 1.072 0.118 13 0 "[ . 1 . 2]"
1 62 HIS 0.140 0.056 5 0 "[ . 1 . 2]"
1 63 ARG 0.511 0.093 19 0 "[ . 1 . 2]"
1 64 LYS 0.392 0.068 5 0 "[ . 1 . 2]"
1 65 LEU 1.102 0.118 13 0 "[ . 1 . 2]"
1 66 LEU 0.494 0.070 20 0 "[ . 1 . 2]"
1 67 GLU 0.638 0.093 19 0 "[ . 1 . 2]"
1 68 GLN 0.466 0.068 5 0 "[ . 1 . 2]"
1 69 GLU 0.333 0.053 2 0 "[ . 1 . 2]"
1 70 MET 0.354 0.070 20 0 "[ . 1 . 2]"
1 71 VAL 0.127 0.069 13 0 "[ . 1 . 2]"
1 72 SER 0.074 0.055 11 0 "[ . 1 . 2]"
1 73 PHE 0.302 0.053 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ARG O 1 16 GLY H 1.800 . 2.300 2.058 1.802 2.356 0.056 16 0 "[ . 1 . 2]" 3
2 1 3 ARG O 1 16 GLY N 2.800 2.800 3.300 2.934 2.761 3.232 0.039 4 0 "[ . 1 . 2]" 3
3 1 5 ILE H 1 14 ALA O 1.800 . 2.300 1.868 1.782 2.055 0.018 15 0 "[ . 1 . 2]" 3
4 1 5 ILE N 1 14 ALA O 2.800 2.800 3.300 2.809 2.733 3.031 0.067 9 0 "[ . 1 . 2]" 3
5 1 25 GLU O 1 29 ARG H 1.800 . 2.300 2.120 1.859 2.355 0.055 10 0 "[ . 1 . 2]" 3
6 1 25 GLU O 1 29 ARG N 2.800 2.800 3.300 3.026 2.790 3.301 0.010 11 0 "[ . 1 . 2]" 3
7 1 26 LEU O 1 30 ILE H 1.800 . 2.300 2.255 1.974 2.354 0.054 18 0 "[ . 1 . 2]" 3
8 1 26 LEU O 1 30 ILE N 2.800 2.800 3.300 3.146 2.949 3.262 . 0 0 "[ . 1 . 2]" 3
9 1 27 GLY O 1 31 TYR H 1.800 . 2.300 1.903 1.794 2.150 0.006 5 0 "[ . 1 . 2]" 3
10 1 27 GLY O 1 31 TYR N 2.800 2.800 3.300 2.844 2.760 3.035 0.040 10 0 "[ . 1 . 2]" 3
11 1 28 LYS O 1 32 ASN H 1.800 . 2.300 2.297 2.120 2.487 0.187 8 0 "[ . 1 . 2]" 3
12 1 28 LYS O 1 32 ASN N 2.800 2.800 3.300 3.070 2.815 3.297 . 0 0 "[ . 1 . 2]" 3
13 1 61 GLU O 1 65 LEU H 1.800 . 2.300 2.347 2.182 2.418 0.118 13 0 "[ . 1 . 2]" 3
14 1 61 GLU O 1 65 LEU N 2.800 2.800 3.300 3.200 3.064 3.306 0.006 5 0 "[ . 1 . 2]" 3
15 1 62 HIS O 1 66 LEU H 1.800 . 2.300 2.083 1.825 2.356 0.056 5 0 "[ . 1 . 2]" 3
16 1 62 HIS O 1 66 LEU N 2.800 2.800 3.300 3.023 2.778 3.317 0.022 19 0 "[ . 1 . 2]" 3
17 1 63 ARG O 1 67 GLU H 1.800 . 2.300 2.201 1.880 2.393 0.093 19 0 "[ . 1 . 2]" 3
18 1 63 ARG O 1 67 GLU N 2.800 2.800 3.300 3.130 2.779 3.358 0.058 19 0 "[ . 1 . 2]" 3
19 1 64 LYS O 1 68 GLN H 1.800 . 2.300 1.848 1.751 1.987 0.049 5 0 "[ . 1 . 2]" 3
20 1 64 LYS O 1 68 GLN N 2.800 2.800 3.300 2.807 2.732 2.939 0.068 5 0 "[ . 1 . 2]" 3
21 1 65 LEU O 1 69 GLU H 1.800 . 2.300 1.953 1.801 2.182 . 0 0 "[ . 1 . 2]" 3
22 1 65 LEU O 1 69 GLU N 2.800 2.800 3.300 2.924 2.783 3.146 0.017 19 0 "[ . 1 . 2]" 3
23 1 66 LEU O 1 70 MET H 1.800 . 2.300 1.944 1.819 2.329 0.029 5 0 "[ . 1 . 2]" 3
24 1 66 LEU O 1 70 MET N 2.800 2.800 3.300 2.845 2.730 3.167 0.070 20 0 "[ . 1 . 2]" 3
25 1 67 GLU O 1 71 VAL H 1.800 . 2.300 2.050 1.807 2.369 0.069 13 0 "[ . 1 . 2]" 3
26 1 67 GLU O 1 71 VAL N 2.800 2.800 3.300 3.020 2.780 3.326 0.026 13 0 "[ . 1 . 2]" 3
27 1 68 GLN O 1 72 SER H 1.800 . 2.300 2.174 2.028 2.355 0.055 11 0 "[ . 1 . 2]" 3
28 1 68 GLN O 1 72 SER N 2.800 2.800 3.300 3.013 2.829 3.201 . 0 0 "[ . 1 . 2]" 3
29 1 69 GLU O 1 73 PHE H 1.800 . 2.300 2.091 1.771 2.342 0.042 19 0 "[ . 1 . 2]" 3
30 1 69 GLU O 1 73 PHE N 2.800 2.800 3.300 2.935 2.747 3.244 0.053 2 0 "[ . 1 . 2]" 3
31 1 37 ASP O 1 41 GLN H 1.800 . 2.300 1.996 1.813 2.325 0.025 7 0 "[ . 1 . 2]" 3
32 1 37 ASP O 1 41 GLN N 2.800 2.800 3.300 2.925 2.761 3.274 0.039 14 0 "[ . 1 . 2]" 3
33 1 38 ALA O 1 42 TRP H 1.800 . 2.300 2.011 1.823 2.263 . 0 0 "[ . 1 . 2]" 3
34 1 38 ALA O 1 42 TRP N 2.800 2.800 3.300 2.953 2.783 3.191 0.017 7 0 "[ . 1 . 2]" 3
35 1 39 TRP O 1 43 GLN H 1.800 . 2.300 2.080 1.842 2.306 0.006 9 0 "[ . 1 . 2]" 3
36 1 39 TRP O 1 43 GLN N 2.800 2.800 3.300 3.044 2.797 3.254 0.003 12 0 "[ . 1 . 2]" 3
37 1 40 ALA O 1 44 HIS H 1.800 . 2.300 2.027 1.842 2.209 . 0 0 "[ . 1 . 2]" 3
38 1 40 ALA O 1 44 HIS N 2.800 2.800 3.300 2.946 2.785 3.136 0.015 11 0 "[ . 1 . 2]" 3
39 1 41 GLN O 1 45 LYS H 1.800 . 2.300 2.052 1.858 2.337 0.037 5 0 "[ . 1 . 2]" 3
40 1 41 GLN O 1 45 LYS N 2.800 2.800 3.300 2.989 2.796 3.282 0.004 2 0 "[ . 1 . 2]" 3
41 1 42 TRP O 1 46 GLN H 1.800 . 2.300 1.793 1.733 1.857 0.067 20 0 "[ . 1 . 2]" 3
42 1 42 TRP O 1 46 GLN N 2.800 2.800 3.300 2.752 2.678 2.832 0.122 20 0 "[ . 1 . 2]" 3
43 1 43 GLN O 1 47 THR H 1.800 . 2.300 1.967 1.847 2.236 . 0 0 "[ . 1 . 2]" 3
44 1 43 GLN O 1 47 THR N 2.800 2.800 3.300 2.894 2.781 3.156 0.019 3 0 "[ . 1 . 2]" 3
45 1 44 HIS O 1 48 MET H 1.800 . 2.300 2.254 1.835 2.341 0.041 6 0 "[ . 1 . 2]" 3
46 1 44 HIS O 1 48 MET N 2.800 2.800 3.300 3.167 2.792 3.278 0.008 10 0 "[ . 1 . 2]" 3
47 1 45 LYS O 1 49 LEU H 1.800 . 2.300 2.039 1.871 2.315 0.015 17 0 "[ . 1 . 2]" 3
48 1 45 LYS O 1 49 LEU N 2.800 2.800 3.300 2.952 2.791 3.243 0.009 15 0 "[ . 1 . 2]" 3
49 1 46 GLN O 1 50 ILE H 1.800 . 2.300 1.902 1.784 2.311 0.016 14 0 "[ . 1 . 2]" 3
50 1 46 GLN O 1 50 ILE N 2.800 2.800 3.300 2.825 2.709 3.166 0.091 14 0 "[ . 1 . 2]" 3
51 1 47 THR O 1 51 ASN H 1.800 . 2.300 2.188 1.818 2.351 0.051 14 0 "[ . 1 . 2]" 3
52 1 47 THR O 1 51 ASN N 2.800 2.800 3.300 3.075 2.795 3.245 0.005 20 0 "[ . 1 . 2]" 3
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 12:59:31 AM GMT (wattos1)