NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
496996 |
2xku   |
17166 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2xku
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 525
_Distance_constraint_stats_list.Viol_count 6014
_Distance_constraint_stats_list.Viol_total 51608.996
_Distance_constraint_stats_list.Viol_max 1.893
_Distance_constraint_stats_list.Viol_rms 0.2522
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1092
_Distance_constraint_stats_list.Viol_average_violations_only 0.2860
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 16.733 1.324 1 9 "[+ -. * *** * 2 * * 3]"
1 2 ILE 66.523 1.324 1 28 "[+******************2** ***-***]"
1 3 GLN 0.184 0.079 10 0 "[ . 1 . 2 . 3]"
1 4 VAL 3.442 0.334 1 0 "[ . 1 . 2 . 3]"
1 5 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 6 SER 35.958 1.213 11 30 [**********+*-*****************]
1 7 ARG 17.736 0.723 1 1 "[+ . 1 . 2 . 3]"
1 9 PRO 2.270 0.261 20 0 "[ . 1 . 2 . 3]"
1 10 ALA 42.648 1.475 28 28 "[**************-****2** ****+**]"
1 11 GLU 50.935 0.748 20 29 "[*******************+ ****-****]"
1 12 ASN 36.446 0.704 19 9 "[ . - ** * *+2 * * * 3]"
1 13 GLY 10.932 0.427 28 0 "[ . 1 . 2 . 3]"
1 14 LYS 108.075 1.475 28 30 [*************************-*+**]
1 15 SER 14.692 0.516 18 2 "[ . 1 . + 2- . 3]"
1 16 ASN 13.889 0.723 1 1 "[+ . 1 . 2 . 3]"
1 17 PHE 34.612 0.844 17 14 "[* *** *1 *. +* *- ** **]"
1 18 LEU 65.082 1.213 11 30 [**********+****************-**]
1 19 ASN 41.976 1.286 19 25 "[* *******1** -.***+** ********]"
1 20 CYS 14.559 0.979 2 6 "[*+ . * 1 . - 2 * . * 3]"
1 21 TYR 93.176 1.286 19 30 [******************+**-********]
1 22 VAL 203.710 1.551 1 30 [+***-*************************]
1 23 SER 3.039 0.265 24 0 "[ . 1 . 2 . 3]"
1 25 PHE 56.443 0.738 30 28 "[***** ** *****-**************+]"
1 26 HIS 1.170 0.602 2 1 "[ + . 1 . 2 . 3]"
1 27 PRO 38.863 0.829 20 21 "[* * *-* *1* ** **+******* **]"
1 28 SER 65.715 1.697 25 30 [*****-******************+*****]
1 29 ASP 66.119 1.697 25 30 [*****-******************+*****]
1 30 ILE 43.978 0.747 29 4 "[ - . *1 . 2 *. +3]"
1 31 GLU 33.285 1.324 1 10 "[+ -. ** *.* * 2 ** *3]"
1 32 VAL 23.562 0.747 29 3 "[ . *1 . 2 -. +3]"
1 33 ASP 272.225 1.893 11 30 [**********+****-**************]
1 34 LEU 210.601 1.113 3 30 [-*+***************************]
1 35 LEU 161.832 1.493 26 30 [*-***********************+****]
1 36 LYS 151.510 1.451 26 30 [******-******************+****]
1 37 ASN 44.343 1.451 26 30 [-************************+****]
1 38 GLY 58.754 1.493 26 30 [******-******************+****]
1 39 GLU 64.808 1.443 21 30 [********************+**-******]
1 40 ARG 193.156 1.893 11 30 [*-********+*******************]
1 41 ILE 152.064 1.073 3 30 [**+*************************-*]
1 42 GLU 39.252 0.984 19 22 "[ -* *** *** ***** +* **** ***]"
1 43 LYS 110.737 1.093 22 29 "[*-********* *********+********]"
1 44 VAL 236.825 1.551 1 30 [+**-**************************]
1 45 GLU 95.884 1.278 6 30 [***-*+************************]
1 46 HIS 8.397 0.739 12 1 "[ . 1 + . 2 . 3]"
1 47 SER 6.822 1.331 15 7 "[* * 1 + -2* .* * 3]"
1 48 ASP 0.495 0.159 23 0 "[ . 1 . 2 . 3]"
1 49 LEU 15.933 1.331 15 8 "[** * 1 + -2* .* * 3]"
1 54 ASP 19.137 1.233 6 20 "[*** *+* * * ******** .*-* *]"
1 55 TRP 21.285 1.233 6 20 "[*** *+* * * ******** .*-* *]"
1 57 PHE 24.621 1.233 6 20 "[*** *+* * * ******** .*-* *]"
1 58 TYR 16.798 0.507 14 1 "[ . 1 +. 2 . 3]"
1 59 LEU 127.233 1.179 7 30 [*-****+***********************]
1 60 LEU 69.172 1.278 6 30 [*****+***************-********]
1 61 TYR 140.709 1.551 1 30 [+-****************************]
1 62 TYR 99.930 1.286 19 30 [******************+**-********]
1 63 THR 70.224 0.944 8 30 [*******+*******************-**]
1 64 GLU 25.790 0.844 17 13 "[* *** *1 *. +* - ** **]"
1 65 PHE 81.994 1.213 11 30 [**********+*********-*********]
1 66 THR 1.510 0.106 12 0 "[ . 1 . 2 . 3]"
1 67 PRO 41.787 0.748 20 25 "[***** - *1* *******+ *********]"
1 68 THR 27.253 0.704 19 9 "[ . - ** * *+2 * * * 3]"
1 69 GLU 41.709 0.984 19 21 "[ ** *** *** -*.** +* **** ***]"
1 70 LYS 44.718 0.984 19 21 "[ ** *** *** -*.** +* **** ***]"
1 71 ASP 17.415 0.486 17 0 "[ . 1 . 2 . 3]"
1 72 GLU 65.470 1.451 26 30 [***********************-*+****]
1 73 TYR 44.797 0.758 26 27 "[*-*** * ****************+****]"
1 74 ALA 1.303 0.090 26 0 "[ . 1 . 2 . 3]"
1 75 CYS 183.338 1.893 11 30 [*-********+*******************]
1 76 ARG 104.467 1.735 8 30 [*******+********-*************]
1 77 VAL 74.138 1.324 1 28 "[+**** ** *****-***************]"
1 78 ASN 27.014 0.665 29 3 "[ . -1 . 2 *. +3]"
1 79 HIS 6.352 0.321 3 0 "[ . 1 . 2 . 3]"
1 80 VAL 6.593 0.314 28 0 "[ . 1 . 2 . 3]"
1 81 THR 7.460 0.460 3 0 "[ . 1 . 2 . 3]"
1 82 LEU 44.636 1.032 3 30 [**+***********************-***]
1 83 SER 1.576 0.090 13 0 "[ . 1 . 2 . 3]"
1 84 GLN 26.114 0.792 23 9 "[ ** * 1 .* * *+ . -*]"
1 85 PRO 33.409 0.665 29 3 "[ . -1 . 2 *. +3]"
1 86 LYS 82.760 1.093 22 28 "[*******************2*+ ***-***]"
1 87 ILE 93.414 1.493 26 30 [-************************+****]
1 88 VAL 29.201 0.347 2 0 "[ . 1 . 2 . 3]"
1 89 LYS 27.229 0.919 20 2 "[ . 1 . + - . 3]"
1 90 TRP 20.089 0.368 15 0 "[ . 1 . 2 . 3]"
1 91 ASP 19.537 0.751 18 5 "[ . * 1 . +-2 * . *]"
1 92 ARG 34.367 1.475 28 28 "[**************-****2** ****+**]"
1 93 ASP 14.911 0.832 18 8 "[ . * * . +-2** *. *]"
1 94 MET 17.677 0.919 20 10 "[ . * * . *-+****. *]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET QB 1 2 ILE MD 5.327 4.823 5.929 4.719 3.499 5.145 1.324 1 7 "[+ -. * *.* * 2 * 3]" 1
2 1 1 MET QB 1 77 VAL QG 4.650 3.959 5.341 3.743 3.506 3.846 0.453 25 0 "[ . 1 . 2 . 3]" 1
3 1 1 MET QB 1 86 LYS QE 5.042 4.177 5.907 4.542 3.084 5.382 1.093 22 2 "[ . 1 - 2 + . 3]" 1
4 1 1 MET QG 1 77 VAL QG 4.083 3.397 4.769 3.655 3.107 4.096 0.290 6 0 "[ . 1 . 2 . 3]" 1
5 1 2 ILE HA 1 2 ILE HG12 3.723 3.190 4.256 3.056 2.969 3.528 0.221 8 0 "[ . 1 . 2 . 3]" 1
6 1 2 ILE HA 1 22 VAL QG 3.885 3.397 4.373 3.555 3.436 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 2 ILE HB 1 2 ILE MD 1.938 . 2.231 1.946 1.918 1.981 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 2 ILE HB 1 2 ILE HG12 2.776 2.331 3.221 2.625 2.501 2.678 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 2 ILE HB 1 75 CYS H 4.658 4.018 5.298 4.892 4.654 5.067 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 2 ILE HB 1 76 ARG HA 4.960 4.185 5.735 4.765 4.696 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 2 ILE HB 1 88 VAL H 3.602 3.153 4.051 3.863 3.765 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 2 ILE HB 1 88 VAL HA 4.668 4.073 5.263 4.391 4.246 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 ILE MD 1 2 ILE HG12 2.275 . 2.623 1.919 1.874 1.950 0.053 16 0 "[ . 1 . 2 . 3]" 1
14 1 2 ILE MD 1 2 ILE HG13 2.260 . 2.578 2.004 1.935 2.079 0.007 18 0 "[ . 1 . 2 . 3]" 1
15 1 2 ILE MD 1 75 CYS HB2 3.567 3.090 4.044 3.470 2.756 3.661 0.334 1 0 "[ . 1 . 2 . 3]" 1
16 1 2 ILE MD 1 75 CYS HA 3.729 3.275 4.183 4.178 4.065 4.388 0.205 17 0 "[ . 1 . 2 . 3]" 1
17 1 2 ILE MD 1 75 CYS HB3 3.138 2.573 3.703 2.794 2.514 4.021 0.318 23 0 "[ . 1 . 2 . 3]" 1
18 1 2 ILE MD 1 88 VAL HB 2.861 2.502 3.220 2.692 2.639 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 2 ILE MD 1 4 VAL HB 5.806 4.871 6.741 6.468 6.355 6.587 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 2 ILE MD 1 88 VAL HA 3.502 3.090 3.914 3.829 3.748 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 2 ILE MD 1 22 VAL HA 4.998 4.149 5.847 4.330 4.157 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 2 ILE MD 1 25 PHE HZ 4.551 3.685 5.417 3.930 3.891 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 2 ILE MD 1 32 VAL HB 3.895 3.297 4.493 4.235 4.028 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 2 ILE MD 1 33 ASP H 3.919 3.518 4.320 4.202 4.125 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 2 ILE MD 1 75 CYS HB2 5.144 4.308 5.980 4.340 3.823 4.872 0.485 2 0 "[ . 1 . 2 . 3]" 1
26 1 2 ILE MD 1 77 VAL HB 2.286 . 2.636 1.832 1.791 1.872 0.145 18 0 "[ . 1 . 2 . 3]" 1
27 1 2 ILE MD 1 77 VAL MG1 1.801 . 2.056 1.590 1.548 1.667 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 2 ILE MD 1 85 PRO HB2 5.307 4.481 6.133 4.434 4.365 4.549 0.116 23 0 "[ . 1 . 2 . 3]" 1
29 1 2 ILE MD 1 86 LYS H 2.724 2.407 3.041 3.082 2.989 3.173 0.132 10 0 "[ . 1 . 2 . 3]" 1
30 1 2 ILE MD 1 86 LYS QG 3.639 3.217 4.061 2.501 2.185 2.721 1.032 3 28 "[**+****************2** ***-***]" 1
31 1 2 ILE MD 1 86 LYS QB 2.811 2.448 3.174 2.690 2.391 3.482 0.308 6 0 "[ . 1 . 2 . 3]" 1
32 1 2 ILE MD 1 86 LYS QG 3.863 3.336 4.390 3.862 3.190 4.202 0.146 6 0 "[ . 1 . 2 . 3]" 1
33 1 2 ILE HG12 1 20 CYS HA 4.389 3.734 5.044 5.212 5.125 5.373 0.329 23 0 "[ . 1 . 2 . 3]" 1
34 1 2 ILE HG12 1 21 TYR HA 4.936 4.220 5.652 5.312 5.044 5.489 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 2 ILE HG12 1 77 VAL QG 2.524 2.140 2.908 1.727 1.648 1.799 0.492 27 0 "[ . 1 . 2 . 3]" 1
36 1 2 ILE HG13 1 22 VAL HA 4.067 3.377 4.757 4.690 3.747 4.901 0.144 23 0 "[ . 1 . 2 . 3]" 1
37 1 2 ILE HG13 1 22 VAL QG 3.008 2.613 3.403 2.756 2.591 2.874 0.022 4 0 "[ . 1 . 2 . 3]" 1
38 1 2 ILE HG13 1 22 VAL QG 3.235 2.838 3.632 3.532 2.899 3.708 0.076 23 0 "[ . 1 . 2 . 3]" 1
39 1 2 ILE HG13 1 25 PHE QE 4.888 3.980 5.796 5.225 4.649 5.815 0.019 9 0 "[ . 1 . 2 . 3]" 1
40 1 2 ILE HG13 1 77 VAL QG 2.207 . 2.543 1.857 1.818 1.875 0.053 17 0 "[ . 1 . 2 . 3]" 1
41 1 2 ILE MG 1 4 VAL HA 2.978 2.610 3.346 3.084 3.020 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 2 ILE MG 1 20 CYS QB 4.070 3.377 4.763 3.454 3.050 3.624 0.327 17 0 "[ . 1 . 2 . 3]" 1
43 1 2 ILE MG 1 22 VAL QG 1.767 . 1.992 1.880 1.789 1.991 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 2 ILE MG 1 25 PHE QE 4.257 3.627 4.887 3.637 3.546 3.766 0.081 13 0 "[ . 1 . 2 . 3]" 1
45 1 3 GLN HA 1 88 VAL HA 4.832 4.090 5.574 4.277 4.240 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 3 GLN HA 1 88 VAL HB 4.809 3.914 5.704 4.078 3.959 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 3 GLN HA 1 89 LYS H 4.874 4.236 5.512 5.481 5.395 5.591 0.079 10 0 "[ . 1 . 2 . 3]" 1
48 1 4 VAL HA 1 19 ASN H 5.253 4.514 5.992 4.846 4.703 5.001 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 4 VAL HA 1 20 CYS H 4.665 4.018 5.312 4.672 4.562 4.772 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 4 VAL HA 1 22 VAL QG 4.548 3.851 5.245 3.882 3.774 3.998 0.077 12 0 "[ . 1 . 2 . 3]" 1
51 1 4 VAL HA 1 75 CYS H 4.937 4.098 5.776 4.724 4.630 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 4 VAL HA 1 75 CYS HB3 5.237 4.389 6.085 4.727 4.567 5.123 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 4 VAL HA 1 88 VAL MG1 4.252 3.534 4.970 3.728 3.672 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 4 VAL MG1 1 5 TYR H 3.410 3.046 3.774 3.310 3.190 3.404 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 4 VAL MG1 1 21 TYR H 3.976 3.487 4.465 3.481 3.257 3.644 0.230 2 0 "[ . 1 . 2 . 3]" 1
56 1 4 VAL MG1 1 74 ALA HA 3.576 3.053 4.099 3.339 3.213 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 4 VAL MG2 1 5 TYR QD 4.676 4.054 5.298 4.716 4.542 4.851 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 5 TYR H 1 6 SER H 4.498 3.965 5.031 4.173 4.137 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 5 TYR H 1 18 LEU MD2 4.615 3.955 5.275 4.726 4.542 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 5 TYR H 1 90 TRP HD1 4.616 4.064 5.168 4.375 4.296 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 6 SER HA 1 17 PHE QB 6.268 5.063 7.473 5.095 4.953 5.295 0.110 13 0 "[ . 1 . 2 . 3]" 1
62 1 6 SER HA 1 18 LEU MD1 4.003 3.401 4.605 3.641 3.503 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 6 SER QB 1 65 PHE HZ 5.061 4.298 5.824 3.118 3.085 3.223 1.213 11 30 [**********+*-*****************] 1
64 1 7 ARG H 1 7 ARG QD 4.721 4.118 5.324 3.926 3.797 4.357 0.321 6 0 "[ . 1 . 2 . 3]" 1
65 1 7 ARG H 1 16 ASN HD21 5.597 4.828 6.366 5.081 4.346 5.403 0.482 17 0 "[ . 1 . 2 . 3]" 1
66 1 7 ARG H 1 17 PHE H 3.885 3.292 4.478 3.721 3.568 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 7 ARG H 1 17 PHE QB 3.562 3.089 4.035 4.115 4.049 4.199 0.164 6 0 "[ . 1 . 2 . 3]" 1
68 1 7 ARG QB 1 16 ASN HD22 5.541 4.792 6.290 5.603 4.069 5.927 0.723 1 1 "[+ . 1 . 2 . 3]" 1
69 1 7 ARG QB 1 65 PHE HZ 5.928 4.893 6.963 4.703 4.610 4.800 0.283 8 0 "[ . 1 . 2 . 3]" 1
70 1 7 ARG QB 1 17 PHE HA 6.084 5.127 7.041 5.306 4.945 5.521 0.182 8 0 "[ . 1 . 2 . 3]" 1
71 1 9 PRO HA 1 11 GLU H 4.425 3.864 4.986 4.633 4.511 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 9 PRO HA 1 65 PHE QE 5.883 5.012 6.754 5.806 5.667 5.974 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 9 PRO HA 1 90 TRP HZ3 7.527 6.449 8.605 6.889 6.818 6.976 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 9 PRO QB 1 90 TRP HH2 5.415 4.670 6.160 4.615 4.409 4.822 0.261 20 0 "[ . 1 . 2 . 3]" 1
75 1 9 PRO QB 1 90 TRP HZ2 6.633 5.529 7.737 5.802 5.443 6.147 0.086 1 0 "[ . 1 . 2 . 3]" 1
76 1 10 ALA HA 1 14 LYS QE 8.134 6.815 9.453 8.229 7.130 8.584 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 10 ALA HA 1 14 LYS QE 8.018 6.582 9.454 5.539 5.107 6.287 1.475 28 28 "[**************-****2** ****+**]" 1
78 1 10 ALA HA 1 67 PRO HB2 5.048 4.353 5.743 4.267 4.180 4.517 0.173 8 0 "[ . 1 . 2 . 3]" 1
79 1 10 ALA MB 1 12 ASN HB3 5.290 4.512 6.068 5.682 5.334 5.973 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 10 ALA MB 1 90 TRP HA 4.847 4.111 5.583 5.044 4.546 5.343 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 10 ALA MB 1 65 PHE QR 5.361 4.633 6.089 4.653 4.553 4.806 0.080 14 0 "[ . 1 . 2 . 3]" 1
82 1 10 ALA MB 1 67 PRO HG2 2.987 2.553 3.421 3.111 3.015 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 10 ALA MB 1 90 TRP HB2 5.700 5.021 6.379 6.010 5.658 6.724 0.345 7 0 "[ . 1 . 2 . 3]" 1
84 1 11 GLU H 1 11 GLU QG 3.870 3.455 4.285 3.890 3.261 4.315 0.194 28 0 "[ . 1 . 2 . 3]" 1
85 1 11 GLU H 1 16 ASN HD21 4.658 4.109 5.207 5.207 4.335 5.439 0.232 18 0 "[ . 1 . 2 . 3]" 1
86 1 11 GLU HA 1 14 LYS QD 5.618 4.997 6.239 5.524 5.142 5.677 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 11 GLU QB 1 66 THR HB 6.312 5.303 7.321 6.445 6.350 6.610 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 11 GLU QB 1 14 LYS QE 4.198 3.833 4.563 4.238 3.930 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 11 GLU QG 1 12 ASN H 4.822 4.329 5.315 4.212 4.065 4.520 0.264 18 0 "[ . 1 . 2 . 3]" 1
90 1 11 GLU QG 1 12 ASN H 4.542 4.049 5.035 3.980 3.862 4.188 0.187 12 0 "[ . 1 . 2 . 3]" 1
91 1 11 GLU QG 1 14 LYS H 4.779 4.387 5.171 5.320 5.185 5.453 0.282 15 0 "[ . 1 . 2 . 3]" 1
92 1 11 GLU QG 1 14 LYS QE . 5.458 5.496 4.993 4.730 5.286 0.728 7 13 "[ **+* * ** . **2 *-** 3]" 1
93 1 11 GLU QG 1 14 LYS HG3 4.377 3.924 4.830 3.294 3.176 3.537 0.748 20 25 "[***** - *1* *******+ *********]" 1
94 1 12 ASN HA 1 12 ASN HD21 5.123 4.464 5.782 4.204 4.038 4.499 0.426 10 0 "[ . 1 . 2 . 3]" 1
95 1 12 ASN HA 1 14 LYS H 2.888 2.575 3.201 2.830 2.805 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 12 ASN HA 1 14 LYS HG3 4.774 4.132 5.416 4.509 4.348 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 12 ASN HB2 1 13 GLY HA3 6.267 5.338 7.196 5.232 4.932 5.647 0.406 8 0 "[ . 1 . 2 . 3]" 1
98 1 12 ASN HB2 1 14 LYS HG3 5.698 4.881 6.515 5.427 4.991 6.033 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 12 ASN HB3 1 13 GLY HA3 6.188 5.164 7.212 5.278 4.737 5.575 0.427 28 0 "[ . 1 . 2 . 3]" 1
100 1 12 ASN HB3 1 68 THR MG 4.332 3.685 4.979 5.246 4.656 5.683 0.704 19 9 "[ . - ** * *+2 * * * 3]" 1
101 1 12 ASN HB3 1 67 PRO HA 4.844 4.340 5.348 4.286 4.212 4.382 0.128 30 0 "[ . 1 . 2 . 3]" 1
102 1 13 GLY H 1 14 LYS HA 3.979 3.478 4.480 4.226 4.124 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 13 GLY H 1 66 THR H 5.394 4.642 6.146 5.134 5.011 5.356 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 13 GLY HA2 1 14 LYS HG3 4.657 3.952 5.362 5.140 4.637 5.271 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 13 GLY HA3 1 66 THR HB 5.249 4.534 5.964 4.486 4.428 4.544 0.106 12 0 "[ . 1 . 2 . 3]" 1
106 1 14 LYS H 1 67 PRO HB3 5.044 4.370 5.718 4.835 4.667 5.128 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 14 LYS HA 1 14 LYS QG 3.380 3.013 3.747 3.133 2.907 3.501 0.106 21 0 "[ . 1 . 2 . 3]" 1
108 1 14 LYS QB 1 14 LYS QD 3.659 3.312 4.006 2.524 2.339 2.863 0.973 21 21 "[** **** * **** **2+* ***-**]" 1
109 1 14 LYS QB 1 14 LYS QG 2.654 2.322 2.658 1.983 1.969 2.004 0.353 3 0 "[ . 1 . 2 . 3]" 1
110 1 14 LYS HD2 1 14 LYS QE 2.200 . 2.451 2.307 2.165 2.412 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 14 LYS HD2 1 14 LYS QG 2.251 2.003 2.499 2.208 2.139 2.352 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 14 LYS HD3 1 14 LYS QE 2.273 2.012 2.534 2.226 2.156 2.460 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 14 LYS HD3 1 14 LYS QG 2.323 2.016 2.630 2.303 2.149 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 14 LYS QE 1 14 LYS HG2 2.939 2.613 3.265 2.841 2.571 2.963 0.042 15 0 "[ . 1 . 2 . 3]" 1
115 1 14 LYS QE 1 14 LYS HG2 2.978 2.605 3.351 3.048 2.624 3.531 0.180 23 0 "[ . 1 . 2 . 3]" 1
116 1 14 LYS QE 1 14 LYS HG3 3.320 2.978 3.662 3.336 2.949 3.585 0.029 20 0 "[ . 1 . 2 . 3]" 1
117 1 14 LYS QE 1 15 SER HB2 5.878 5.122 6.634 6.500 5.183 7.054 0.420 19 0 "[ . 1 . 2 . 3]" 1
118 1 14 LYS QE 1 66 THR MG 5.194 4.487 5.901 5.019 4.467 5.909 0.020 6 0 "[ . 1 . 2 . 3]" 1
119 1 14 LYS QG 1 15 SER H 4.450 4.006 4.894 4.537 4.263 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 14 LYS QG 1 15 SER HA 5.849 4.892 6.806 5.736 5.145 5.879 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 14 LYS QG 1 15 SER HB2 6.852 5.790 7.914 6.952 6.370 7.199 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 14 LYS QG 1 15 SER HB3 8.430 6.922 9.938 7.019 6.483 7.155 0.439 13 0 "[ . 1 . 2 . 3]" 1
123 1 15 SER HA 1 65 PHE HB2 5.386 4.539 6.233 5.293 4.974 5.469 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 15 SER HB3 1 17 PHE HB3 5.666 4.857 6.475 6.764 6.626 6.991 0.516 18 2 "[ . 1 . + 2- . 3]" 1
125 1 15 SER HG 1 16 ASN H 3.889 3.400 4.378 3.466 3.230 3.716 0.170 21 0 "[ . 1 . 2 . 3]" 1
126 1 16 ASN QB 1 18 LEU H 5.099 4.512 5.686 4.754 4.633 4.860 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 17 PHE QB 1 19 ASN QB 6.137 5.041 7.233 4.612 4.197 5.173 0.844 17 13 "[* *** *1 *. +- * ** **]" 1
128 1 17 PHE HB2 1 18 LEU MD1 4.327 3.741 4.913 4.956 4.497 5.164 0.251 18 0 "[ . 1 . 2 . 3]" 1
129 1 17 PHE HB2 1 19 ASN QB 6.121 5.050 7.192 4.945 4.531 5.258 0.519 17 1 "[ . 1 . + 2 . 3]" 1
130 1 17 PHE HB2 1 34 LEU MD2 3.759 3.216 4.302 3.518 3.416 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 17 PHE HB2 1 34 LEU MD2 4.264 3.711 4.817 4.824 4.598 4.928 0.111 20 0 "[ . 1 . 2 . 3]" 1
132 1 17 PHE HB2 1 63 THR H 4.392 3.770 5.014 4.936 4.814 5.100 0.086 18 0 "[ . 1 . 2 . 3]" 1
133 1 17 PHE HB3 1 60 LEU MD2 5.981 4.780 7.182 4.803 4.384 5.130 0.396 14 0 "[ . 1 . 2 . 3]" 1
134 1 17 PHE QD 1 34 LEU MD2 5.194 4.524 5.864 4.770 4.573 4.914 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 17 PHE QD 1 60 LEU MD2 6.105 5.124 7.086 5.297 5.080 5.510 0.044 19 0 "[ . 1 . 2 . 3]" 1
136 1 18 LEU H 1 18 LEU QB 2.544 2.168 2.920 2.228 2.204 2.263 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 18 LEU QB 1 18 LEU MD2 2.833 2.364 3.302 2.046 2.036 2.061 0.328 2 0 "[ . 1 . 2 . 3]" 1
138 1 18 LEU QB 1 34 LEU MD2 1.693 . 1.933 1.669 1.547 1.742 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 18 LEU QB 1 34 LEU HG 3.133 2.720 3.546 3.531 3.445 3.580 0.034 18 0 "[ . 1 . 2 . 3]" 1
140 1 18 LEU QB 1 62 TYR HA 4.671 3.953 5.389 3.840 3.776 3.888 0.177 16 0 "[ . 1 . 2 . 3]" 1
141 1 18 LEU QB 1 65 PHE HB3 3.850 3.172 4.528 2.776 2.588 2.853 0.584 8 2 "[ . + 1 . 2 . - 3]" 1
142 1 18 LEU MD1 1 65 PHE HZ 4.675 3.973 5.377 4.821 4.701 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 18 LEU MD2 1 33 ASP HA 5.191 4.357 6.025 5.361 5.271 5.440 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 18 LEU MD2 1 33 ASP QB 5.762 4.919 6.605 5.616 5.554 5.666 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 18 LEU MD2 1 34 LEU HA 4.305 3.571 5.039 3.551 3.502 3.647 0.069 27 0 "[ . 1 . 2 . 3]" 1
146 1 18 LEU MD2 1 37 ASN HD21 5.326 4.560 6.092 6.135 6.093 6.198 0.106 2 0 "[ . 1 . 2 . 3]" 1
147 1 18 LEU MD2 1 74 ALA HA 4.303 3.560 5.046 3.832 3.725 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 18 LEU MD2 1 74 ALA HA 4.137 3.474 4.800 3.510 3.450 3.590 0.024 9 0 "[ . 1 . 2 . 3]" 1
149 1 18 LEU MD2 1 75 CYS HA 4.373 3.701 5.045 4.266 4.141 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 18 LEU HG 1 19 ASN HA 4.023 3.302 4.744 4.088 3.969 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 19 ASN HA 1 60 LEU H 5.000 4.418 5.582 5.683 5.428 6.089 0.507 14 1 "[ . 1 +. 2 . 3]" 1
152 1 19 ASN QB 1 21 TYR QD 6.535 5.524 7.546 4.857 4.238 5.931 1.286 19 22 "[- *******1** *.** +** ****** 3]" 1
153 1 20 CYS H 1 34 LEU QD 3.457 2.910 4.004 3.277 3.136 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 20 CYS HA 1 22 VAL HA 4.740 4.138 5.342 5.014 4.885 5.143 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 20 CYS QB 1 44 VAL QG 3.872 3.300 4.444 3.801 3.501 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 20 CYS QB 1 61 TYR QB 3.348 2.930 3.766 2.653 1.951 2.934 0.979 2 6 "[*+ . * 1 . - 2 * . * 3]" 1
157 1 21 TYR HA 1 21 TYR QE 4.867 4.257 5.477 4.548 4.002 4.785 0.255 29 0 "[ . 1 . 2 . 3]" 1
158 1 21 TYR HA 1 59 LEU H 4.435 3.710 5.160 3.873 3.562 5.131 0.148 13 0 "[ . 1 . 2 . 3]" 1
159 1 21 TYR QD 1 22 VAL HA 5.371 4.648 6.094 4.580 4.348 4.780 0.300 2 0 "[ . 1 . 2 . 3]" 1
160 1 21 TYR QD 1 22 VAL QG 4.891 4.280 5.502 4.021 3.889 4.127 0.391 12 0 "[ . 1 . 2 . 3]" 1
161 1 21 TYR QD 1 60 LEU QB 5.131 4.493 5.769 3.420 3.215 3.843 1.278 6 30 [*****+***********-************] 1
162 1 21 TYR QD 1 58 TYR QB 4.236 3.708 4.764 3.734 3.504 4.257 0.204 7 0 "[ . 1 . 2 . 3]" 1
163 1 21 TYR QD 1 60 LEU H 5.819 5.009 6.629 5.588 5.408 5.929 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 21 TYR QD 1 60 LEU QB 5.052 4.427 5.677 3.611 3.307 4.231 1.120 6 26 "[*****+******* .** ***-****** *]" 1
165 1 21 TYR QD 1 60 LEU MD1 4.115 3.621 4.609 3.739 3.468 4.327 0.153 28 0 "[ . 1 . 2 . 3]" 1
166 1 22 VAL HA 1 22 VAL QG 2.701 2.327 3.075 2.120 2.094 2.151 0.233 24 0 "[ . 1 . 2 . 3]" 1
167 1 22 VAL HA 1 23 SER HA 4.645 3.961 5.329 3.998 3.696 4.214 0.265 24 0 "[ . 1 . 2 . 3]" 1
168 1 22 VAL HA 1 77 VAL QG 3.982 3.772 4.596 3.754 3.627 3.841 0.145 7 0 "[ . 1 . 2 . 3]" 1
169 1 22 VAL HB 1 22 VAL QG 1.876 . 2.126 1.686 1.682 1.689 0.077 6 0 "[ . 1 . 2 . 3]" 1
170 1 22 VAL HB 1 30 ILE MG 4.244 3.531 4.957 3.758 3.649 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 22 VAL HB 1 61 TYR QD 4.448 3.907 4.989 4.650 4.505 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 22 VAL QG 1 25 PHE HZ 3.359 2.979 3.739 2.592 2.507 2.732 0.472 6 0 "[ . 1 . 2 . 3]" 1
173 1 22 VAL QG 1 30 ILE MD 1.921 . 2.184 1.601 1.552 1.660 0.106 8 0 "[ . 1 . 2 . 3]" 1
174 1 22 VAL QG 1 32 VAL H 4.239 3.668 4.810 3.387 2.921 3.621 0.747 29 3 "[ . *1 . 2 -. +3]" 1
175 1 22 VAL QG 1 32 VAL HA 5.005 4.302 5.708 4.030 3.929 4.115 0.373 24 0 "[ . 1 . 2 . 3]" 1
176 1 22 VAL QG 1 32 VAL MG1 2.376 2.004 2.748 2.329 2.190 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 22 VAL MG1 1 22 VAL MG2 1.811 . 2.046 1.844 1.835 1.852 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 22 VAL QG 1 59 LEU QB 4.536 3.929 5.143 2.983 2.750 3.199 1.179 7 30 [******+*******-***************] 1
179 1 22 VAL QG 1 61 TYR HA 4.833 4.090 5.576 3.956 3.834 4.088 0.256 12 0 "[ . 1 . 2 . 3]" 1
180 1 22 VAL QG 1 61 TYR QB 4.468 3.737 5.199 2.264 2.186 2.394 1.551 1 30 [+************************-****] 1
181 1 22 VAL QG 1 75 CYS HB3 3.916 3.275 4.557 2.263 2.182 2.392 1.093 1 30 [+************************-****] 1
182 1 22 VAL QG 1 61 TYR QE 3.683 3.680 4.202 3.548 3.320 3.681 0.360 13 0 "[ . 1 . 2 . 3]" 1
183 1 22 VAL QG 1 59 LEU H 4.170 4.069 4.704 3.476 3.366 3.999 0.703 8 29 "[****-**+***** ****************]" 1
184 1 22 VAL QG 1 60 LEU HA 4.320 3.704 4.936 3.908 3.683 4.468 0.021 29 0 "[ . 1 . 2 . 3]" 1
185 1 22 VAL QG 1 76 ARG H 3.819 3.386 4.252 4.380 4.343 4.408 0.156 18 0 "[ . 1 . 2 . 3]" 1
186 1 23 SER HA 1 58 TYR QB 5.561 4.693 6.429 5.966 4.639 6.518 0.089 27 0 "[ . 1 . 2 . 3]" 1
187 1 25 PHE HA 1 30 ILE HB 5.565 4.793 6.337 5.350 5.071 5.748 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 25 PHE HA 1 30 ILE MD 4.863 4.158 5.568 4.325 4.198 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 25 PHE HB2 1 27 PRO HG3 4.471 3.708 5.234 5.064 4.530 5.242 0.008 18 0 "[ . 1 . 2 . 3]" 1
190 1 25 PHE QR 1 29 ASP HB2 6.420 5.476 7.364 5.984 5.412 7.003 0.064 16 0 "[ . 1 . 2 . 3]" 1
191 1 25 PHE QR 1 30 ILE MD 4.108 3.551 4.665 3.593 3.480 3.725 0.071 3 0 "[ . 1 . 2 . 3]" 1
192 1 25 PHE QR 1 77 VAL QG 4.686 3.926 5.446 3.383 3.285 3.557 0.641 2 26 "[*+* * ** *****- **************]" 1
193 1 25 PHE QE 1 30 ILE MG 4.679 3.990 5.368 3.592 3.537 3.661 0.453 23 0 "[ . 1 . 2 . 3]" 1
194 1 25 PHE HZ 1 30 ILE MD 4.249 3.546 4.952 4.996 4.902 5.075 0.123 3 0 "[ . 1 . 2 . 3]" 1
195 1 25 PHE HZ 1 59 LEU QD 5.125 4.291 5.959 3.810 3.553 4.089 0.738 30 15 "[*-**. * 1** .* *** **. *+]" 1
196 1 25 PHE HZ 1 77 VAL QG 4.087 3.391 4.783 3.912 3.870 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 25 PHE HZ 1 82 LEU QD 4.051 3.251 4.851 3.647 3.226 4.461 0.025 23 0 "[ . 1 . 2 . 3]" 1
198 1 26 HIS HD2 1 49 LEU MD2 4.449 3.578 5.320 4.480 3.180 5.922 0.602 2 1 "[ + . 1 . 2 . 3]" 1
199 1 27 PRO HA 1 29 ASP H 3.901 3.495 4.307 2.922 2.666 3.292 0.829 20 21 "[* * *-* *1* ** **+******* **]" 1
200 1 27 PRO HA 1 30 ILE HB 5.665 4.813 6.517 5.344 5.112 5.651 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 27 PRO HB2 1 59 LEU QD 3.832 3.388 4.276 3.065 3.005 3.162 0.383 25 0 "[ . 1 . 2 . 3]" 1
202 1 27 PRO HB2 1 59 LEU HG 3.768 3.381 4.155 3.923 3.738 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 27 PRO HB3 1 28 SER HA 5.501 4.558 6.444 4.726 4.491 5.113 0.067 10 0 "[ . 1 . 2 . 3]" 1
204 1 27 PRO HG2 1 48 ASP HA 4.868 4.339 5.397 4.395 4.180 4.509 0.159 23 0 "[ . 1 . 2 . 3]" 1
205 1 27 PRO HG3 1 30 ILE MD 4.141 3.483 4.799 3.830 3.700 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 27 PRO HG3 1 57 PHE QE 5.701 4.798 6.604 4.913 4.543 5.448 0.255 15 0 "[ . 1 . 2 . 3]" 1
207 1 27 PRO HG3 1 58 TYR H 5.216 4.082 6.350 4.784 3.956 6.163 0.126 26 0 "[ . 1 . 2 . 3]" 1
208 1 27 PRO HG3 1 59 LEU QD 2.502 2.089 2.728 1.780 1.754 1.806 0.335 7 0 "[ . 1 . 2 . 3]" 1
209 1 27 PRO HG3 1 61 TYR QD 5.424 4.497 6.351 5.941 5.737 6.116 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 28 SER HA 1 29 ASP QB 6.461 5.494 7.428 5.516 5.438 5.586 0.056 4 0 "[ . 1 . 2 . 3]" 1
211 1 28 SER QB 1 29 ASP HA 4.418 3.885 4.951 3.950 3.801 4.169 0.084 12 0 "[ . 1 . 2 . 3]" 1
212 1 28 SER QB 1 29 ASP QB . 5.964 6.219 4.371 4.267 4.596 1.697 25 30 [*********-**************+*****] 1
213 1 29 ASP H 1 29 ASP QB 2.646 2.370 2.922 2.561 2.414 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 29 ASP QB 1 30 ILE H 3.747 3.339 4.155 3.815 3.637 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 29 ASP QB 1 30 ILE MG 3.629 3.107 4.151 3.362 3.072 3.609 0.035 8 0 "[ . 1 . 2 . 3]" 1
216 1 29 ASP QB 1 80 VAL HB 4.923 4.234 5.612 4.613 4.205 5.030 0.029 10 0 "[ . 1 . 2 . 3]" 1
217 1 29 ASP QB 1 79 HIS HD2 4.723 3.947 5.499 4.109 3.829 5.373 0.118 30 0 "[ . 1 . 2 . 3]" 1
218 1 30 ILE H 1 59 LEU QD 5.236 4.479 5.993 4.564 4.109 4.764 0.370 22 0 "[ . 1 . 2 . 3]" 1
219 1 30 ILE HA 1 32 VAL H 4.709 4.043 5.375 4.670 4.616 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 30 ILE HA 1 77 VAL QG 5.176 4.318 6.034 4.142 4.004 4.500 0.314 28 0 "[ . 1 . 2 . 3]" 1
221 1 30 ILE HB 1 77 VAL QG 3.134 2.674 3.594 2.866 2.710 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 30 ILE HB 1 78 ASN H 4.413 3.811 5.015 4.021 3.864 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 30 ILE HB 1 78 ASN HA 5.168 4.489 5.847 4.267 4.208 4.352 0.281 8 0 "[ . 1 . 2 . 3]" 1
224 1 30 ILE MD 1 31 GLU HA 4.877 4.242 5.512 4.185 4.127 4.249 0.115 20 0 "[ . 1 . 2 . 3]" 1
225 1 30 ILE MD 1 32 VAL HA 4.572 3.867 5.277 4.615 4.473 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 30 ILE MD 1 61 TYR QE 3.708 3.304 4.112 3.639 3.587 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 30 ILE QG 1 30 ILE MG 2.578 2.168 2.988 2.323 2.305 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 30 ILE QG 1 79 HIS HD2 5.461 4.620 6.302 4.514 4.299 4.882 0.321 3 0 "[ . 1 . 2 . 3]" 1
229 1 30 ILE MG 1 31 GLU HB2 5.892 4.875 6.909 5.055 4.876 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 30 ILE MG 1 77 VAL QG 3.754 3.175 4.333 3.760 3.668 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 31 GLU H 1 78 ASN HD21 5.210 4.449 5.971 4.478 4.385 4.715 0.064 1 0 "[ . 1 . 2 . 3]" 1
232 1 31 GLU H 1 86 LYS H 5.657 4.963 6.351 5.847 5.686 5.978 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 31 GLU HA 1 31 GLU QG 2.699 2.398 3.000 2.423 2.279 2.692 0.119 9 0 "[ . 1 . 2 . 3]" 1
234 1 31 GLU HA 1 76 ARG H 6.646 5.505 7.787 7.432 7.326 7.579 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 31 GLU HA 1 78 ASN HA 5.940 5.102 6.778 6.252 6.174 6.342 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 31 GLU HA 1 78 ASN HB2 5.448 4.816 6.080 6.028 5.880 6.167 0.087 25 0 "[ . 1 . 2 . 3]" 1
237 1 31 GLU HB2 1 31 GLU QG 2.752 2.453 3.051 2.330 2.160 2.429 0.293 25 0 "[ . 1 . 2 . 3]" 1
238 1 31 GLU HB2 1 78 ASN H 3.364 2.937 3.791 3.275 2.955 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 31 GLU HB2 1 78 ASN HA 4.798 4.153 5.443 4.809 4.512 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 31 GLU HB2 1 85 PRO HA 5.197 4.533 5.861 4.610 4.474 5.199 0.059 12 0 "[ . 1 . 2 . 3]" 1
241 1 31 GLU HB3 1 31 GLU QG 2.643 2.364 2.922 2.326 2.274 2.388 0.090 5 0 "[ . 1 . 2 . 3]" 1
242 1 31 GLU HB3 1 78 ASN H 3.691 3.302 4.080 3.904 3.268 4.243 0.163 22 0 "[ . 1 . 2 . 3]" 1
243 1 31 GLU HB3 1 78 ASN HB3 3.696 3.299 4.093 3.524 2.634 4.019 0.665 29 3 "[ . -1 . 2 *. +3]" 1
244 1 31 GLU HB3 1 78 ASN HD21 4.103 3.556 4.650 4.556 3.872 4.971 0.321 27 0 "[ . 1 . 2 . 3]" 1
245 1 31 GLU HB3 1 79 HIS HA 4.204 3.661 4.747 4.736 4.567 4.840 0.093 21 0 "[ . 1 . 2 . 3]" 1
246 1 31 GLU QG 1 77 VAL QG 4.725 4.073 5.377 5.288 5.138 5.473 0.096 20 0 "[ . 1 . 2 . 3]" 1
247 1 31 GLU QG 1 32 VAL H 4.463 4.047 4.879 4.095 3.727 4.374 0.320 29 0 "[ . 1 . 2 . 3]" 1
248 1 31 GLU QG 1 78 ASN HD22 6.384 5.495 7.273 5.222 5.007 5.424 0.488 12 0 "[ . 1 . 2 . 3]" 1
249 1 31 GLU QG 1 78 ASN HB3 4.373 3.918 4.828 4.260 3.946 4.705 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 31 GLU QG 1 78 ASN HD21 4.675 4.081 5.269 4.863 4.484 5.302 0.033 29 0 "[ . 1 . 2 . 3]" 1
251 1 32 VAL H 1 33 ASP QB 6.453 5.338 7.568 5.324 5.116 5.496 0.222 3 0 "[ . 1 . 2 . 3]" 1
252 1 32 VAL HA 1 61 TYR QE 4.912 4.294 5.530 4.456 4.274 4.736 0.020 26 0 "[ . 1 . 2 . 3]" 1
253 1 32 VAL MG1 1 33 ASP H 3.476 3.113 3.839 3.930 3.892 3.959 0.120 11 0 "[ . 1 . 2 . 3]" 1
254 1 32 VAL MG1 1 33 ASP HA 4.191 3.644 4.738 4.116 4.063 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 32 VAL MG1 1 34 LEU MD1 4.937 3.889 5.985 4.374 4.288 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 32 VAL MG1 1 61 TYR HA 5.224 4.272 6.176 5.836 5.689 6.006 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 32 VAL MG2 1 33 ASP HA 3.415 2.868 3.962 3.195 3.109 3.285 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 32 VAL MG2 1 34 LEU QB 4.127 3.417 4.837 4.481 4.386 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 32 VAL MG2 1 61 TYR HA 5.088 4.181 5.995 4.855 4.710 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 32 VAL MG2 1 61 TYR QB 2.945 2.407 3.483 3.137 2.945 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 33 ASP H 1 76 ARG QG 4.338 3.821 4.855 4.560 4.430 4.709 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 33 ASP HA 1 34 LEU MD1 2.446 2.176 2.716 2.522 2.442 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 33 ASP HA 1 44 VAL HB 5.383 4.482 6.284 4.878 4.734 5.080 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 33 ASP HA 1 34 LEU QB 4.538 3.986 5.090 4.146 4.114 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 33 ASP HA 1 34 LEU QB 5.189 4.567 5.811 3.960 3.926 4.000 0.641 6 30 [*****+*********-**************] 1
266 1 33 ASP HA 1 34 LEU QB 5.368 4.685 6.051 3.915 3.872 3.992 0.813 1 30 [+*********************-*******] 1
267 1 33 ASP HA 1 40 ARG QG 5.638 4.844 6.432 4.843 4.684 5.041 0.160 8 0 "[ . 1 . 2 . 3]" 1
268 1 33 ASP HA 1 61 TYR QE 5.385 4.536 6.234 4.526 4.402 4.782 0.134 3 0 "[ . 1 . 2 . 3]" 1
269 1 33 ASP QB 1 40 ARG QD 5.610 4.835 6.385 3.686 3.392 3.992 1.443 21 30 [**-*****************+*********] 1
270 1 33 ASP QB 1 34 LEU QB 5.747 5.059 6.435 4.016 3.946 4.111 1.113 3 30 [**+*****************-*********] 1
271 1 33 ASP QB 1 34 LEU QB 5.759 5.107 6.411 4.119 4.034 4.225 1.073 3 30 [**+*****************-*********] 1
272 1 33 ASP QB 1 34 LEU MD1 5.419 4.603 6.235 3.982 3.945 4.020 0.658 28 30 [********************-******+**] 1
273 1 33 ASP QB 1 40 ARG HB2 4.764 4.138 5.390 4.038 3.917 4.249 0.221 30 0 "[ . 1 . 2 . 3]" 1
274 1 33 ASP QB 1 40 ARG HA 4.717 3.983 5.451 3.836 3.743 3.936 0.240 3 0 "[ . 1 . 2 . 3]" 1
275 1 33 ASP QB 1 40 ARG QB 5.041 4.398 5.684 4.593 4.420 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 33 ASP QB 1 40 ARG QD 6.247 5.294 7.200 3.707 3.401 4.030 1.893 11 30 [**-*******+*******************] 1
277 1 33 ASP QB 1 40 ARG QG 5.050 4.343 5.757 2.726 2.608 2.902 1.735 8 30 [******-+**********************] 1
278 1 33 ASP QB 1 76 ARG QG 5.235 4.463 6.007 4.512 4.294 4.688 0.169 3 0 "[ . 1 . 2 . 3]" 1
279 1 34 LEU HA 1 34 LEU QB 2.750 2.344 3.156 2.187 2.174 2.197 0.170 2 0 "[ . 1 . 2 . 3]" 1
280 1 34 LEU HA 1 35 LEU HG 3.719 3.145 4.293 3.229 3.195 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 34 LEU HA 1 40 ARG QD 6.370 5.474 7.266 6.078 5.930 6.274 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 34 LEU HA 1 41 ILE MG 5.419 4.693 6.145 4.826 4.760 4.873 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 34 LEU HA 1 63 THR MG 5.035 4.252 5.818 4.661 4.595 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 34 LEU HA 1 87 ILE MD 4.623 3.991 5.255 4.401 4.360 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 34 LEU HA 1 41 ILE QG 3.967 3.404 4.530 3.959 3.913 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 34 LEU HA 1 44 VAL QG 4.286 3.757 4.815 3.940 3.891 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 34 LEU QB 1 34 LEU MD1 1.984 . 2.265 1.963 1.955 1.970 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 34 LEU QB 1 34 LEU MD2 2.079 . 2.376 1.880 1.873 1.885 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 34 LEU QB 1 73 TYR QE 5.281 4.640 5.922 4.575 4.454 4.756 0.186 10 0 "[ . 1 . 2 . 3]" 1
290 1 34 LEU QB 1 61 TYR QD 5.155 4.498 5.812 4.437 4.302 4.612 0.196 6 0 "[ . 1 . 2 . 3]" 1
291 1 34 LEU QB 1 62 TYR H 6.482 5.211 7.753 5.301 5.124 5.389 0.087 12 0 "[ . 1 . 2 . 3]" 1
292 1 34 LEU QB 1 35 LEU H 2.447 2.166 2.728 2.768 2.739 2.790 0.062 18 0 "[ . 1 . 2 . 3]" 1
293 1 34 LEU QB 1 36 LYS HA 7.176 5.740 8.612 5.816 5.790 5.843 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 34 LEU QB 1 40 ARG HA 4.593 3.887 5.299 4.420 4.350 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 34 LEU QB 1 41 ILE MD 2.596 2.286 2.906 1.700 1.670 1.740 0.616 27 30 [**************************+-**] 1
296 1 34 LEU QB 1 44 VAL HA 5.377 4.448 6.306 4.769 4.673 4.866 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 34 LEU QB 1 63 THR MG 3.002 2.570 3.434 2.435 2.355 2.513 0.215 8 0 "[ . 1 . 2 . 3]" 1
298 1 34 LEU QB 1 41 ILE QG 3.547 2.915 4.179 2.135 2.069 2.293 0.846 10 30 [*********+*-******************] 1
299 1 34 LEU QB 1 44 VAL QG 3.510 2.918 4.102 2.035 1.974 2.162 0.944 8 30 [*******+***-******************] 1
300 1 34 LEU MD1 1 40 ARG QG 5.541 4.734 6.348 4.742 4.590 4.885 0.144 21 0 "[ . 1 . 2 . 3]" 1
301 1 34 LEU MD1 1 60 LEU QB 6.192 5.062 7.322 6.120 4.909 6.305 0.153 2 0 "[ . 1 . 2 . 3]" 1
302 1 34 LEU MD1 1 60 LEU QB 5.843 4.866 6.820 6.110 5.912 6.266 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 34 LEU MD1 1 75 CYS HA 3.035 2.666 3.404 3.120 3.082 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 34 LEU MD1 1 75 CYS HB3 4.506 3.812 5.200 3.942 3.298 4.125 0.514 8 2 "[- . + 1 . 2 . 3]" 1
305 1 34 LEU MD2 1 61 TYR QB 3.822 3.241 4.403 3.440 3.365 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 34 LEU HG 1 75 CYS H 3.996 3.349 4.643 4.501 4.458 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 34 LEU HG 1 75 CYS HA 3.721 3.244 4.198 3.493 3.372 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 34 LEU HG 1 76 ARG H 4.652 4.038 5.266 4.354 4.243 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 34 LEU HG 1 61 TYR QB 4.777 3.997 5.557 4.114 3.328 4.307 0.669 23 2 "[ . 1 . 2 + . - 3]" 1
310 1 35 LEU H 1 35 LEU QB 3.054 2.754 3.354 2.586 2.547 2.613 0.207 28 0 "[ . 1 . 2 . 3]" 1
311 1 35 LEU HA 1 35 LEU MD1 3.689 3.137 4.241 3.160 3.100 3.210 0.037 10 0 "[ . 1 . 2 . 3]" 1
312 1 35 LEU HA 1 35 LEU HG 3.663 3.077 4.249 3.069 3.037 3.114 0.040 18 0 "[ . 1 . 2 . 3]" 1
313 1 35 LEU HA 1 40 ARG QB 5.174 4.500 5.848 4.871 4.762 5.080 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 35 LEU QB 1 35 LEU MD1 2.051 . 2.333 1.662 1.645 1.682 0.124 14 0 "[ . 1 . 2 . 3]" 1
315 1 35 LEU QB 1 35 LEU MD2 2.926 2.616 3.236 2.437 2.407 2.462 0.209 5 0 "[ . 1 . 2 . 3]" 1
316 1 35 LEU QB 1 35 LEU MD2 2.934 2.628 3.240 2.493 2.479 2.510 0.149 17 0 "[ . 1 . 2 . 3]" 1
317 1 35 LEU QB 1 35 LEU MD2 2.400 2.094 2.706 2.472 2.460 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 35 LEU QB 1 36 LYS HA 4.596 3.989 5.203 3.708 3.663 3.758 0.326 14 0 "[ . 1 . 2 . 3]" 1
319 1 35 LEU QB 1 38 GLY QA 4.893 4.297 5.489 2.862 2.804 2.943 1.493 26 30 [******-******************+****] 1
320 1 35 LEU MD1 1 37 ASN H 4.398 3.927 4.869 4.747 4.692 4.794 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 35 LEU MD1 1 37 ASN HD22 5.139 4.483 5.795 5.448 5.230 5.734 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 35 LEU MD1 1 40 ARG HA 4.544 3.845 5.243 3.840 3.783 3.909 0.062 26 0 "[ . 1 . 2 . 3]" 1
323 1 35 LEU MD1 1 40 ARG QG 5.482 4.692 6.272 4.338 4.055 4.594 0.637 27 6 "[ *. 1 - *2* * . + 3]" 1
324 1 35 LEU MD1 1 73 TYR HA 5.973 5.047 6.899 5.041 4.967 5.116 0.080 30 0 "[ . 1 . 2 . 3]" 1
325 1 35 LEU MD1 1 76 ARG QG 3.876 3.447 4.305 3.446 3.362 3.588 0.085 8 0 "[ . 1 . 2 . 3]" 1
326 1 35 LEU MD2 1 40 ARG QD 5.185 4.497 5.873 3.980 3.808 4.269 0.689 19 18 "[*- *. ** 1* * * **+** *** ** 3]" 1
327 1 35 LEU HG 1 39 GLU H 4.935 4.380 5.490 4.365 4.290 4.491 0.090 26 0 "[ . 1 . 2 . 3]" 1
328 1 35 LEU HG 1 75 CYS HA 3.346 2.869 3.823 3.203 3.145 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 35 LEU HG 1 76 ARG H 2.668 2.317 3.019 2.257 2.200 2.295 0.117 17 0 "[ . 1 . 2 . 3]" 1
330 1 35 LEU HG 1 87 ILE HA 4.656 4.047 5.265 3.847 3.779 3.898 0.268 1 0 "[ . 1 . 2 . 3]" 1
331 1 35 LEU HG 1 87 ILE HB 5.764 5.018 6.510 5.108 5.052 5.170 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 35 LEU HG 1 87 ILE HG13 3.831 3.344 4.318 3.764 3.709 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 36 LYS H 1 36 LYS HE3 5.660 4.974 6.346 4.989 4.691 5.397 0.283 29 0 "[ . 1 . 2 . 3]" 1
334 1 36 LYS H 1 40 ARG H 3.668 3.277 4.059 4.058 4.028 4.090 0.031 11 0 "[ . 1 . 2 . 3]" 1
335 1 36 LYS HA 1 37 ASN H 1.939 . 2.153 2.021 1.998 2.047 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 36 LYS HA 1 39 GLU H 3.843 3.379 4.307 3.865 3.824 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 36 LYS HA 1 39 GLU HB2 5.812 5.118 6.506 5.383 4.851 5.582 0.267 6 0 "[ . 1 . 2 . 3]" 1
338 1 36 LYS HA 1 72 GLU H 4.273 3.866 4.680 4.192 3.995 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 36 LYS HA 1 72 GLU HB2 5.345 4.792 5.898 4.745 4.628 4.883 0.164 15 0 "[ . 1 . 2 . 3]" 1
340 1 36 LYS HA 1 72 GLU QG . 4.949 5.152 3.777 3.498 4.116 1.451 26 30 [-************************+****] 1
341 1 36 LYS HA 1 41 ILE QG 5.525 4.666 6.384 4.171 4.117 4.328 0.549 21 18 "[* *. *** ***.*** *+ *.* *-*]" 1
342 1 36 LYS HB2 1 36 LYS HE2 3.129 2.725 3.533 2.468 2.352 2.518 0.373 1 0 "[ . 1 . 2 . 3]" 1
343 1 36 LYS HB2 1 41 ILE QG 4.109 3.671 4.547 3.456 3.234 3.593 0.437 18 0 "[ . 1 . 2 . 3]" 1
344 1 36 LYS HB2 1 73 TYR QD 6.116 5.223 7.009 5.797 5.741 5.842 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 36 LYS HB2 1 37 ASN HA 4.696 4.076 5.316 4.763 4.582 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 36 LYS HB2 1 72 GLU H 5.249 4.660 5.838 4.900 4.699 5.101 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 36 LYS HB2 1 73 TYR QE 6.281 5.431 7.131 6.078 5.965 6.188 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 36 LYS HB3 1 41 ILE MG 7.115 5.821 8.409 5.651 5.590 5.697 0.231 15 0 "[ . 1 . 2 . 3]" 1
349 1 36 LYS HD2 1 71 ASP HA 6.192 5.314 7.070 5.985 5.679 6.262 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 36 LYS HD3 1 41 ILE MG 3.034 2.649 3.419 3.203 3.086 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 36 LYS HE2 1 39 GLU HB2 5.643 5.007 6.279 6.408 5.509 6.975 0.696 26 8 "[ * . * 1 ** .** 2 -.+ 3]" 1
352 1 36 LYS HE2 1 73 TYR QE 4.418 3.895 4.941 3.829 3.803 3.854 0.092 6 0 "[ . 1 . 2 . 3]" 1
353 1 36 LYS HE3 1 39 GLU HB2 6.371 5.685 7.057 5.856 5.018 6.789 0.667 11 1 "[ . 1+ . 2 . 3]" 1
354 1 36 LYS HE3 1 41 ILE MD 4.533 3.889 5.177 3.537 3.428 3.678 0.461 26 0 "[ . 1 . 2 . 3]" 1
355 1 36 LYS HE3 1 41 ILE MD 4.946 4.276 5.616 3.651 3.518 3.805 0.758 26 27 "[*-*** * ****************+****]" 1
356 1 36 LYS HG2 1 72 GLU H 5.065 4.476 5.654 5.682 5.457 5.795 0.141 8 0 "[ . 1 . 2 . 3]" 1
357 1 37 ASN H 1 39 GLU HB3 4.620 4.186 5.054 4.377 4.238 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 37 ASN HA 1 39 GLU HB3 4.565 4.111 5.019 4.829 4.689 5.044 0.025 11 0 "[ . 1 . 2 . 3]" 1
359 1 37 ASN HA 1 89 LYS HG2 4.911 4.102 5.720 4.076 3.991 4.204 0.111 15 0 "[ . 1 . 2 . 3]" 1
360 1 37 ASN HB2 1 37 ASN HD22 3.740 3.393 4.087 3.459 2.993 3.969 0.400 18 0 "[ . 1 . 2 . 3]" 1
361 1 37 ASN HB3 1 74 ALA MB 4.486 3.897 5.075 4.783 4.420 5.003 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 38 GLY H 1 39 GLU HB2 4.890 4.303 5.477 4.796 4.663 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 38 GLY H 1 87 ILE MD 3.283 2.767 3.799 4.045 3.902 4.165 0.366 30 0 "[ . 1 . 2 . 3]" 1
364 1 38 GLY QA 1 39 GLU HA 4.604 3.976 5.232 3.698 3.668 3.722 0.308 6 0 "[ . 1 . 2 . 3]" 1
365 1 39 GLU HA 1 87 ILE MD 5.012 4.319 5.705 5.568 5.521 5.613 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 39 GLU HB2 1 40 ARG HB2 5.629 4.999 6.259 5.205 4.860 5.527 0.139 15 0 "[ . 1 . 2 . 3]" 1
367 1 39 GLU HB2 1 41 ILE H 5.410 4.697 6.123 5.991 5.568 6.297 0.174 26 0 "[ . 1 . 2 . 3]" 1
368 1 40 ARG HA 1 40 ARG QB 2.779 2.424 3.134 2.516 2.453 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 40 ARG QB 1 40 ARG QG 2.615 2.316 2.914 2.088 2.073 2.093 0.243 26 0 "[ . 1 . 2 . 3]" 1
370 1 40 ARG QB 1 42 GLU HB3 5.880 5.254 6.506 5.799 5.244 6.353 0.010 4 0 "[ . 1 . 2 . 3]" 1
371 1 40 ARG QG 1 42 GLU HB2 5.718 4.891 6.545 4.909 4.708 5.161 0.183 10 0 "[ . 1 . 2 . 3]" 1
372 1 41 ILE QG 1 42 GLU H 4.224 3.783 4.665 3.777 3.608 4.028 0.175 19 0 "[ . 1 . 2 . 3]" 1
373 1 41 ILE MG 1 42 GLU HA 3.561 3.130 3.992 3.660 3.393 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 41 ILE MG 1 42 GLU HB2 3.803 3.259 4.347 3.638 3.454 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 41 ILE MG 1 43 LYS HA 5.108 4.446 5.770 4.189 4.158 4.224 0.288 26 0 "[ . 1 . 2 . 3]" 1
376 1 41 ILE MG 1 43 LYS QD 3.683 3.326 4.040 4.130 3.912 4.220 0.180 7 0 "[ . 1 . 2 . 3]" 1
377 1 41 ILE MG 1 44 VAL H 3.384 3.051 3.717 2.858 2.679 3.043 0.372 12 0 "[ . 1 . 2 . 3]" 1
378 1 41 ILE MG 1 63 THR HA 5.108 4.207 6.009 4.176 4.068 4.282 0.139 9 0 "[ . 1 . 2 . 3]" 1
379 1 41 ILE MG 1 73 TYR QE 4.090 3.456 4.724 3.469 3.397 3.620 0.059 20 0 "[ . 1 . 2 . 3]" 1
380 1 42 GLU H 1 43 LYS QG 5.103 4.463 5.743 4.389 4.240 4.543 0.223 15 0 "[ . 1 . 2 . 3]" 1
381 1 42 GLU HA 1 43 LYS HA 4.599 3.906 5.292 4.500 4.429 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 42 GLU HB2 1 43 LYS HA 3.582 3.168 3.996 3.764 3.579 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 42 GLU HB2 1 43 LYS QG 3.984 3.456 4.512 3.642 3.300 4.264 0.156 9 0 "[ . 1 . 2 . 3]" 1
384 1 42 GLU HB2 1 43 LYS QG 3.255 2.915 3.595 3.108 2.942 3.694 0.099 19 0 "[ . 1 . 2 . 3]" 1
385 1 42 GLU HB3 1 43 LYS QE 4.868 4.300 5.436 3.755 3.316 4.188 0.984 19 20 "[ ** *** *** -*.** +* *** ***]" 1
386 1 42 GLU HB3 1 43 LYS QG 4.853 4.328 5.378 4.537 3.818 5.207 0.510 19 2 "[ - . 1 . +2 . 3]" 1
387 1 42 GLU HB3 1 43 LYS HG3 4.022 3.670 4.374 3.398 3.115 3.996 0.555 26 2 "[ - . 1 . 2 .+ 3]" 1
388 1 42 GLU HG2 1 43 LYS QD 5.069 4.470 5.668 5.208 4.492 5.616 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 42 GLU HG3 1 43 LYS QD 5.578 4.805 6.351 4.956 4.645 5.416 0.160 26 0 "[ . 1 . 2 . 3]" 1
390 1 42 GLU HG3 1 43 LYS QG 5.077 4.476 5.678 5.598 5.262 6.280 0.602 2 4 "[ + . - 1 * *2 . 3]" 1
391 1 43 LYS H 1 43 LYS HB2 2.702 2.387 3.017 2.567 2.425 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 43 LYS HA 1 43 LYS QG 3.631 3.268 3.994 3.237 3.204 3.274 0.064 10 0 "[ . 1 . 2 . 3]" 1
393 1 43 LYS HA 1 43 LYS QG 3.257 2.910 3.604 2.774 2.535 2.960 0.375 11 0 "[ . 1 . 2 . 3]" 1
394 1 43 LYS HA 1 43 LYS HG3 3.052 2.756 3.348 2.715 2.651 2.801 0.105 12 0 "[ . 1 . 2 . 3]" 1
395 1 43 LYS HA 1 43 LYS HG3 3.102 2.773 3.431 2.523 2.381 2.641 0.392 22 0 "[ . 1 . 2 . 3]" 1
396 1 43 LYS HA 1 44 VAL HA 4.223 3.692 4.754 3.938 3.895 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 43 LYS HA 1 44 VAL HB 4.337 3.760 4.914 4.605 4.566 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 43 LYS HA 1 44 VAL QG 4.327 3.756 4.898 3.163 3.048 3.459 0.708 11 29 "[***-******+ ******************]" 1
399 1 43 LYS HA 1 64 GLU HB3 5.812 5.060 6.564 6.087 5.614 6.314 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 43 LYS HB2 1 43 LYS QG 2.076 . 2.283 1.718 1.674 1.747 0.195 6 0 "[ . 1 . 2 . 3]" 1
401 1 43 LYS HB2 1 43 LYS QG 2.652 2.294 3.010 2.176 2.163 2.182 0.131 26 0 "[ . 1 . 2 . 3]" 1
402 1 43 LYS HB2 1 43 LYS QG 2.115 . 2.336 1.929 1.924 1.934 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 43 LYS HB2 1 43 LYS QG 2.047 . 2.256 1.989 1.910 2.034 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 43 LYS HB2 1 63 THR MG 4.335 3.749 4.921 3.869 3.720 4.027 0.029 27 0 "[ . 1 . 2 . 3]" 1
405 1 43 LYS HB2 1 64 GLU H 3.063 2.692 3.434 2.466 2.143 2.644 0.549 17 2 "[ . 1 . + - . 3]" 1
406 1 43 LYS HB3 1 43 LYS QG 2.665 2.332 2.998 2.288 2.202 2.314 0.130 26 0 "[ . 1 . 2 . 3]" 1
407 1 43 LYS HB3 1 44 VAL QG 5.121 4.537 5.705 4.817 4.628 4.956 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 43 LYS HD2 1 43 LYS HG2 2.066 . 2.270 1.799 1.740 1.840 0.122 6 0 "[ . 1 . 2 . 3]" 1
409 1 43 LYS HD2 1 43 LYS HG2 2.181 . 2.402 1.879 1.837 1.933 0.123 21 0 "[ . 1 . 2 . 3]" 1
410 1 43 LYS QD 1 43 LYS QE 2.215 . 2.453 1.822 1.787 1.868 0.190 20 0 "[ . 1 . 2 . 3]" 1
411 1 43 LYS QG 1 44 VAL H 4.937 4.412 5.462 4.964 4.895 5.136 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 43 LYS QG 1 64 GLU HB2 3.794 3.242 4.346 4.463 4.052 4.696 0.350 27 0 "[ . 1 . 2 . 3]" 1
413 1 43 LYS QG 1 64 GLU HB3 3.959 3.383 4.535 3.591 3.196 3.912 0.187 20 0 "[ . 1 . 2 . 3]" 1
414 1 44 VAL QG 1 46 HIS HA 5.703 4.755 6.651 5.135 4.016 5.416 0.739 12 1 "[ . 1 + . 2 . 3]" 1
415 1 44 VAL QG 1 61 TYR QD 3.386 3.063 3.709 2.567 2.487 2.694 0.576 6 15 "[* * *+* *** .* *2 ***. *-]" 1
416 1 45 GLU H 1 45 GLU QG 3.206 2.868 3.544 3.401 2.786 3.662 0.118 14 0 "[ . 1 . 2 . 3]" 1
417 1 45 GLU HA 1 45 GLU QG 2.985 2.672 3.298 2.609 2.501 2.842 0.171 11 0 "[ . 1 . 2 . 3]" 1
418 1 45 GLU QG 1 46 HIS H 5.028 4.557 5.499 4.499 4.164 4.762 0.393 12 0 "[ . 1 . 2 . 3]" 1
419 1 45 GLU QG 1 62 TYR QE 5.367 4.647 6.087 4.981 4.620 5.340 0.027 29 0 "[ . 1 . 2 . 3]" 1
420 1 46 HIS QB 1 59 LEU QD 5.222 4.446 5.998 4.620 4.249 5.612 0.197 16 0 "[ . 1 . 2 . 3]" 1
421 1 46 HIS QB 1 59 LEU QD 5.079 4.303 5.855 4.383 4.104 4.930 0.199 16 0 "[ . 1 . 2 . 3]" 1
422 1 47 SER HA 1 49 LEU QD 5.685 4.657 6.713 5.505 4.480 6.602 0.177 5 0 "[ . 1 . 2 . 3]" 1
423 1 47 SER QB 1 49 LEU QD 5.841 4.976 6.706 5.174 3.645 6.307 1.331 15 7 "[* * 1 + -2* .* * 3]" 1
424 1 49 LEU H 1 59 LEU QD 5.004 4.331 5.677 5.251 4.152 6.054 0.377 4 0 "[ . 1 . 2 . 3]" 1
425 1 49 LEU QD 1 49 LEU HG 2.337 . 2.749 1.889 1.877 1.899 0.048 7 0 "[ . 1 . 2 . 3]" 1
426 1 49 LEU QD 1 59 LEU QD 3.381 2.927 3.835 3.323 2.949 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 49 LEU QD 1 59 LEU HG 4.809 4.081 5.537 4.300 3.941 5.253 0.140 17 0 "[ . 1 . 2 . 3]" 1
428 1 49 LEU MD1 1 59 LEU QD 4.063 3.410 4.716 3.418 2.989 4.014 0.421 26 0 "[ . 1 . 2 . 3]" 1
429 1 54 ASP QB 1 55 TRP HA 5.548 4.930 6.166 4.292 3.697 4.691 1.233 6 20 "[*** *+* * * ******** .*-* *]" 1
430 1 55 TRP HD1 1 55 TRP HZ2 4.064 3.668 4.460 4.282 3.545 4.722 0.262 24 0 "[ . 1 . 2 . 3]" 1
431 1 57 PHE QD 1 59 LEU QD 5.225 4.411 6.039 5.291 4.360 5.748 0.051 22 0 "[ . 1 . 2 . 3]" 1
432 1 58 TYR QB 1 59 LEU HA 5.810 4.801 6.819 4.595 4.368 4.795 0.433 3 0 "[ . 1 . 2 . 3]" 1
433 1 58 TYR QB 1 60 LEU QB 4.612 3.636 5.588 4.609 3.787 5.123 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 63 THR HA 1 63 THR MG 3.535 3.032 4.038 3.087 3.051 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 65 PHE HB2 1 67 PRO HB2 4.822 4.218 5.426 5.341 4.693 5.647 0.221 26 0 "[ . 1 . 2 . 3]" 1
436 1 65 PHE HB2 1 73 TYR QD 4.023 3.548 4.498 3.644 3.369 3.817 0.179 24 0 "[ . 1 . 2 . 3]" 1
437 1 65 PHE QR 1 67 PRO HA 5.143 4.421 5.865 4.374 4.347 4.404 0.074 27 0 "[ . 1 . 2 . 3]" 1
438 1 65 PHE QR 1 90 TRP HZ2 6.513 5.545 7.481 5.907 5.697 6.307 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 67 PRO HA 1 67 PRO HG2 3.889 3.387 4.391 3.281 3.120 3.377 0.267 30 0 "[ . 1 . 2 . 3]" 1
440 1 67 PRO HA 1 71 ASP H 3.961 3.582 4.340 4.313 4.209 4.431 0.091 22 0 "[ . 1 . 2 . 3]" 1
441 1 67 PRO HB2 1 68 THR MG 4.148 3.619 4.677 3.564 3.270 3.868 0.349 20 0 "[ . 1 . 2 . 3]" 1
442 1 67 PRO HB2 1 73 TYR QD 4.983 4.274 5.692 4.800 4.374 5.349 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 67 PRO HG2 1 90 TRP HH2 4.861 4.110 5.612 4.226 4.017 4.482 0.093 3 0 "[ . 1 . 2 . 3]" 1
444 1 67 PRO HG3 1 68 THR H 5.575 5.032 6.118 4.906 4.865 4.962 0.167 16 0 "[ . 1 . 2 . 3]" 1
445 1 68 THR HB 1 70 LYS QG 3.202 2.805 3.599 2.933 2.605 3.245 0.200 20 0 "[ . 1 . 2 . 3]" 1
446 1 69 GLU HA 1 70 LYS QD 6.998 6.018 7.978 6.348 6.193 6.470 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 69 GLU QB 1 70 LYS HA 3.944 3.497 4.391 4.275 4.099 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 69 GLU QB 1 70 LYS QD 4.853 4.310 5.396 4.972 4.722 5.250 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 69 GLU QB 1 70 LYS QE 3.151 2.790 3.512 3.127 1.871 3.667 0.919 20 2 "[ . 1 . + - . 3]" 1
450 1 70 LYS HA 1 70 LYS HB2 2.494 2.246 2.742 2.685 2.679 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 70 LYS HA 1 70 LYS HB3 2.050 . 2.294 2.170 2.134 2.198 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 70 LYS HA 1 70 LYS QD 3.441 3.095 3.787 3.177 2.941 3.448 0.154 23 0 "[ . 1 . 2 . 3]" 1
453 1 70 LYS HB2 1 70 LYS QG 2.394 2.119 2.669 1.953 1.919 2.050 0.200 8 0 "[ . 1 . 2 . 3]" 1
454 1 70 LYS QD 1 70 LYS QE 1.996 . 2.184 2.055 2.007 2.092 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 70 LYS QD 1 70 LYS QG 2.113 . 2.318 2.017 2.002 2.031 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 71 ASP HB2 1 73 TYR QD 5.155 4.486 5.824 4.267 4.000 4.683 0.486 17 0 "[ . 1 . 2 . 3]" 1
457 1 71 ASP HB3 1 73 TYR QD 4.374 3.884 4.864 4.094 3.512 4.455 0.372 30 0 "[ . 1 . 2 . 3]" 1
458 1 72 GLU HB3 1 93 ASP HB3 4.333 3.826 4.840 4.716 4.171 5.672 0.832 18 6 "[ . * * . + 2** -. 3]" 1
459 1 72 GLU QG 1 89 LYS QD 3.768 3.149 4.387 3.185 2.928 3.455 0.221 21 0 "[ . 1 . 2 . 3]" 1
460 1 74 ALA H 1 75 CYS H 3.832 3.376 4.288 4.262 4.209 4.298 0.010 21 0 "[ . 1 . 2 . 3]" 1
461 1 74 ALA HA 1 75 CYS H 2.105 . 2.368 2.292 2.257 2.317 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 74 ALA HA 1 88 VAL H 3.836 3.337 4.335 3.850 3.792 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 74 ALA HA 1 89 LYS QD 5.832 5.120 6.544 5.262 5.175 5.378 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 74 ALA MB 1 75 CYS HB3 5.449 4.611 6.287 4.671 4.576 5.100 0.035 24 0 "[ . 1 . 2 . 3]" 1
465 1 74 ALA MB 1 89 LYS QD 3.537 3.153 3.921 3.480 3.338 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 75 CYS H 1 76 ARG QB 3.533 3.108 3.958 4.232 4.170 4.305 0.347 2 0 "[ . 1 . 2 . 3]" 1
467 1 75 CYS H 1 87 ILE HG13 4.234 3.565 4.903 4.454 4.311 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 75 CYS HB2 1 88 VAL MG2 4.542 3.911 5.173 4.677 3.943 5.040 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 76 ARG HA 1 77 VAL HB 4.942 4.094 5.790 4.145 4.057 4.324 0.037 29 0 "[ . 1 . 2 . 3]" 1
470 1 76 ARG HA 1 77 VAL HB 5.007 4.159 5.855 4.056 3.951 4.269 0.208 29 0 "[ . 1 . 2 . 3]" 1
471 1 76 ARG HA 1 85 PRO HG2 5.080 4.502 5.658 5.321 5.262 5.373 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 76 ARG QB 1 87 ILE HA 4.580 3.837 5.323 3.724 3.676 3.760 0.161 1 0 "[ . 1 . 2 . 3]" 1
473 1 76 ARG QG 1 77 VAL HA 4.976 4.103 5.849 4.037 3.895 4.177 0.208 3 0 "[ . 1 . 2 . 3]" 1
474 1 76 ARG QG 1 77 VAL QG 4.763 4.090 5.436 4.451 4.276 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 77 VAL QG 1 79 HIS HD2 4.606 3.876 5.336 4.315 3.976 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 78 ASN HB3 1 79 HIS HA 4.338 3.928 4.748 4.106 3.973 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 78 ASN HD22 1 80 VAL MG1 5.348 4.530 6.166 5.066 4.784 5.419 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 79 HIS H 1 84 GLN H 5.019 4.422 5.616 4.669 4.416 4.881 0.006 5 0 "[ . 1 . 2 . 3]" 1
479 1 79 HIS HA 1 83 SER HA 5.094 4.461 5.727 4.782 4.406 5.237 0.055 27 0 "[ . 1 . 2 . 3]" 1
480 1 80 VAL HA 1 81 THR HB 6.201 5.159 7.243 5.747 5.582 5.922 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 80 VAL HA 1 82 LEU H 4.073 3.527 4.619 4.607 4.337 4.709 0.090 13 0 "[ . 1 . 2 . 3]" 1
482 1 80 VAL MG1 1 83 SER HA 4.994 4.360 5.628 4.922 4.574 5.182 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 80 VAL MG1 1 83 SER QB 4.958 4.285 5.631 4.851 4.553 5.156 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 81 THR MG 1 82 LEU QD 3.004 2.573 3.435 2.324 2.113 2.562 0.460 3 0 "[ . 1 . 2 . 3]" 1
485 1 82 LEU HA 1 84 GLN H 3.926 3.410 4.442 3.504 3.383 3.626 0.027 29 0 "[ . 1 . 2 . 3]" 1
486 1 82 LEU HA 1 84 GLN HB2 5.631 4.905 6.357 5.119 4.989 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 82 LEU HA 1 84 GLN QG 4.643 3.973 5.313 4.158 3.878 4.377 0.095 4 0 "[ . 1 . 2 . 3]" 1
488 1 82 LEU HB2 1 84 GLN QG 4.212 3.503 4.921 4.775 4.390 5.269 0.348 12 0 "[ . 1 . 2 . 3]" 1
489 1 82 LEU HB3 1 85 PRO HA 3.517 3.135 3.899 3.559 3.475 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 82 LEU QD 1 84 GLN H 4.116 3.650 4.582 3.789 3.578 4.054 0.072 28 0 "[ . 1 . 2 . 3]" 1
491 1 82 LEU QD 1 84 GLN HE21 6.567 5.677 7.457 5.655 4.885 6.379 0.792 23 6 "[ *. * 1 . * + . -*]" 1
492 1 82 LEU QD 1 84 GLN HE22 5.615 4.900 6.330 6.022 5.136 6.970 0.640 22 3 "[ - 1 .* 2 + . 3]" 1
493 1 82 LEU HG 1 84 GLN QG 6.011 5.163 6.859 6.225 6.015 6.659 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 84 GLN H 1 84 GLN HE22 1.696 . 1.924 1.730 1.719 1.737 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 84 GLN H 1 84 GLN QG 2.918 2.532 3.304 2.709 2.355 3.283 0.177 6 0 "[ . 1 . 2 . 3]" 1
496 1 84 GLN HA 1 84 GLN QG 3.858 3.460 4.256 3.433 3.370 3.528 0.090 29 0 "[ . 1 . 2 . 3]" 1
497 1 84 GLN HA 1 85 PRO HB3 4.253 3.871 4.635 4.246 4.200 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 84 GLN HB2 1 84 GLN QG 2.713 2.448 2.978 2.266 2.126 2.406 0.322 8 0 "[ . 1 . 2 . 3]" 1
499 1 84 GLN HB3 1 84 GLN QG 2.264 2.028 2.500 2.376 2.304 2.502 0.002 8 0 "[ . 1 . 2 . 3]" 1
500 1 84 GLN QG 1 85 PRO HD2 5.329 4.751 5.907 4.590 4.402 4.801 0.349 3 0 "[ . 1 . 2 . 3]" 1
501 1 84 GLN QG 1 85 PRO HD3 4.926 4.397 5.455 5.138 5.051 5.234 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 84 GLN QG 1 86 LYS QG 4.882 4.167 5.617 4.369 3.703 4.985 0.464 11 0 "[ . 1 . 2 . 3]" 1
503 1 85 PRO HB3 1 85 PRO HD2 3.293 2.909 3.677 2.717 2.701 2.735 0.208 5 0 "[ . 1 . 2 . 3]" 1
504 1 86 LYS HA 1 86 LYS HB3 2.177 . 2.426 2.120 1.918 2.420 0.010 9 0 "[ . 1 . 2 . 3]" 1
505 1 86 LYS HA 1 87 ILE MD 4.668 4.039 5.297 4.360 4.283 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 86 LYS QB 1 86 LYS QD 2.678 2.415 2.941 2.391 2.161 2.715 0.254 27 0 "[ . 1 . 2 . 3]" 1
507 1 86 LYS QB 1 86 LYS QG 2.129 . 2.338 2.019 1.969 2.105 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 86 LYS HB3 1 88 VAL HA 5.028 4.430 5.626 4.862 4.664 5.263 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 87 ILE HG13 1 88 VAL H 3.496 2.998 3.994 3.925 3.834 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 87 ILE MG 1 88 VAL HB 4.174 3.708 4.640 4.019 3.961 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 88 VAL HB 1 89 LYS QE 5.590 4.781 6.399 6.296 5.939 6.583 0.184 27 0 "[ . 1 . 2 . 3]" 1
512 1 88 VAL MG2 1 91 ASP H 3.853 3.245 4.461 4.448 4.320 4.563 0.102 24 0 "[ . 1 . 2 . 3]" 1
513 1 89 LYS H 1 89 LYS QD 3.772 3.433 4.111 4.180 4.088 4.263 0.152 5 0 "[ . 1 . 2 . 3]" 1
514 1 89 LYS HA 1 89 LYS QD 4.045 3.651 4.439 4.197 4.134 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 89 LYS HA 1 90 TRP HE3 7.505 6.332 8.678 6.012 5.964 6.094 0.368 15 0 "[ . 1 . 2 . 3]" 1
516 1 89 LYS QD 1 89 LYS HE2 1.940 . 2.128 2.269 2.187 2.318 0.190 8 0 "[ . 1 . 2 . 3]" 1
517 1 89 LYS QD 1 89 LYS HG2 2.112 . 2.368 2.172 2.158 2.183 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 89 LYS QD 1 89 LYS HG3 2.235 . 2.481 2.389 2.321 2.425 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 89 LYS QD 1 94 MET HG2 5.618 4.840 6.396 4.931 4.661 5.259 0.179 3 0 "[ . 1 . 2 . 3]" 1
520 1 89 LYS QE 1 89 LYS HG2 3.831 3.413 4.249 3.347 3.303 3.445 0.110 4 0 "[ . 1 . 2 . 3]" 1
521 1 89 LYS QE 1 89 LYS HG3 2.194 . 2.461 2.415 2.276 2.634 0.173 17 0 "[ . 1 . 2 . 3]" 1
522 1 90 TRP HB2 1 91 ASP H 4.287 3.844 4.730 3.850 3.595 4.153 0.249 16 0 "[ . 1 . 2 . 3]" 1
523 1 91 ASP HB3 1 92 ARG H 3.826 3.383 4.269 3.807 3.525 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 91 ASP HB3 1 94 MET HB3 4.726 4.157 5.295 5.150 4.415 6.046 0.751 18 3 "[ . * 1 . + 2 - . 3]" 1
525 1 91 ASP HB3 1 94 MET HG2 4.691 4.154 5.228 4.266 3.531 5.369 0.623 30 2 "[ . 1 . -2 . +]" 1
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