NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
628514 |
6axd   |
30340 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6axd
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 384
_Distance_constraint_stats_list.Viol_count 4824
_Distance_constraint_stats_list.Viol_total 101302.844
_Distance_constraint_stats_list.Viol_max 7.073
_Distance_constraint_stats_list.Viol_rms 1.0714
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6595
_Distance_constraint_stats_list.Viol_average_violations_only 1.0500
_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 40 ILE 173.781 1.938 4 20 [***+************-***]
1 41 ALA 94.600 1.938 4 20 [***+*********-******]
1 42 LEU 116.656 3.490 20 20 [******************-+]
1 43 PRO 11.711 1.099 2 6 "[*+ *- 1 * * 2]"
1 44 ALA 189.496 5.346 15 20 [**************+***-*]
1 45 PHE 272.980 4.567 9 20 [********+**********-]
1 46 SER 94.961 3.085 6 20 [*****+*************-]
1 47 GLN 424.331 6.808 5 20 [***-+***************]
1 48 VAL 509.241 6.889 17 20 [***-************+***]
1 49 ASP 143.298 3.658 16 20 [*****-*********+****]
1 50 PRO 185.758 6.808 5 20 [****+***-***********]
1 51 GLU 331.951 6.889 17 20 [*****-**********+***]
1 52 VAL 306.333 5.896 5 20 [****+-**************]
1 53 PHE 408.652 7.073 14 20 [********-****+******]
1 54 ALA 432.969 6.043 12 20 [***********+*-******]
1 55 ALA 285.067 6.376 12 20 [**********-+********]
1 56 LEU 459.135 4.888 16 20 [*************-*+****]
1 57 PRO 145.628 5.332 17 20 [***********-****+***]
1 58 ALA 481.410 6.376 12 20 [***********+***-****]
1 59 GLU 476.469 6.043 12 20 [***********+***-****]
1 60 LEU 295.868 2.233 17 20 [*******-********+***]
1 61 GLN 305.663 4.290 16 20 [***************+***-]
1 62 ARG 276.944 1.917 12 20 [***********+****-***]
1 63 GLU 297.037 3.015 12 20 [********-**+********]
1 64 LEU 287.146 2.175 19 20 [****************-*+*]
1 65 LYS 287.060 2.100 11 20 [**********+***-*****]
1 66 ALA 225.029 1.953 8 20 [*******+-***********]
1 67 ALA 174.540 1.950 9 20 [********+**-********]
1 68 TYR 651.956 7.073 14 20 [**********-**+******]
1 69 ASP 180.382 2.130 19 20 [*********-********+*]
1 70 GLN 228.062 2.317 11 20 [**********+**-******]
1 71 ARG 242.979 2.645 12 20 [***-*******+********]
1 72 GLN 161.923 3.821 14 20 [***-*********+******]
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 40 ILE H 1 40 ILE HA . . 2.670 2.850 2.535 2.945 0.275 3 0 "[ . 1 . 2]" 1
2 1 40 ILE H 1 40 ILE HB . . 2.400 3.612 2.368 3.772 1.372 8 19 "[*** ***+***-********]" 1
3 1 40 ILE H 1 40 ILE MD . . 2.770 3.758 1.954 4.116 1.346 4 19 "[***+*********-**** *]" 1
4 1 40 ILE H 1 40 ILE QG . . 2.840 2.315 1.917 3.308 0.468 19 0 "[ . 1 . 2]" 1
5 1 40 ILE H 1 40 ILE MG . . 3.080 2.460 1.887 3.685 0.605 20 2 "[ -. 1 . +]" 1
6 1 40 ILE H 1 41 ALA H . . 2.640 3.104 1.956 4.578 1.938 4 8 "[* +* - 1*** . * 2]" 1
7 1 40 ILE HA 1 40 ILE HB . . 2.400 2.451 2.337 2.864 0.464 4 0 "[ . 1 . 2]" 1
8 1 40 ILE HA 1 40 ILE MD . . 2.400 3.788 3.527 4.166 1.766 7 20 [******+***********-*] 1
9 1 40 ILE HA 1 40 ILE QG . . 2.820 3.275 2.149 3.446 0.626 19 16 "[*** ** ****-*****+2]" 1
10 1 40 ILE HA 1 40 ILE MG . . 2.400 2.393 1.980 2.916 0.516 4 1 "[ +. 1 . 2]" 1
11 1 40 ILE HA 1 41 ALA H . . 2.400 3.185 2.255 3.550 1.150 20 13 "[ ** .****- *** **+]" 1
12 1 40 ILE HB 1 40 ILE MD . . 2.400 2.234 2.006 3.223 0.823 19 1 "[ . 1 . +2]" 1
13 1 40 ILE HB 1 40 ILE QG . . 2.240 2.483 2.187 2.541 0.301 17 0 "[ . 1 . 2]" 1
14 1 40 ILE HB 1 41 ALA H . . 2.830 3.246 1.929 4.226 1.396 10 12 "[ ***.* **+ -** **2]" 1
15 1 40 ILE MD 1 40 ILE MG . . 2.400 2.741 1.866 3.114 0.714 18 13 "[*** ** *1** ***-+ 2]" 1
16 1 40 ILE MD 1 41 ALA H . . 2.700 2.776 1.926 4.174 1.474 4 5 "[ +.- * * .* 2]" 1
17 1 40 ILE QG 1 40 ILE MG . . 2.400 2.082 1.912 2.363 . 0 0 "[ . 1 . 2]" 1
18 1 40 ILE QG 1 41 ALA H . . 2.750 2.468 1.905 3.064 0.314 5 0 "[ . 1 . 2]" 1
19 1 40 ILE MG 1 41 ALA H . . 2.990 3.732 2.439 4.002 1.012 10 19 "[*** *****+**-*******]" 1
20 1 41 ALA H 1 41 ALA HA . . 2.400 2.605 2.277 2.889 0.489 18 0 "[ . 1 . 2]" 1
21 1 41 ALA H 1 41 ALA MB . . 2.400 2.769 2.119 2.907 0.507 14 1 "[ . 1 +. 2]" 1
22 1 41 ALA HA 1 42 LEU H . . 2.590 3.209 2.516 3.542 0.952 6 16 "[*** *+ **1-********2]" 1
23 1 41 ALA MB 1 42 LEU H . . 4.500 3.189 2.568 3.721 . 0 0 "[ . 1 . 2]" 1
24 1 42 LEU H 1 42 LEU QB . . 3.340 2.747 2.153 3.138 . 0 0 "[ . 1 . 2]" 1
25 1 42 LEU H 1 42 LEU QD . . 2.740 2.566 1.943 3.564 0.824 1 4 "[+* . 1 * -]" 1
26 1 42 LEU H 1 42 LEU HG . . 2.900 2.746 1.950 3.301 0.401 15 0 "[ . 1 . 2]" 1
27 1 42 LEU HA 1 42 LEU QB . . 2.400 2.262 2.146 2.477 0.077 4 0 "[ . 1 . 2]" 1
28 1 42 LEU HA 1 42 LEU QD . . 2.290 3.025 1.945 3.461 1.171 6 16 "[ **-+********.****2]" 1
29 1 42 LEU HA 1 42 LEU HG . . 2.720 3.138 2.286 3.684 0.964 18 9 "[ .***-1* * .* +*2]" 1
30 1 42 LEU HA 1 43 PRO HD2 . . 2.400 2.345 1.959 2.508 0.108 4 0 "[ . 1 . 2]" 1
31 1 42 LEU HA 1 43 PRO HD3 . . 2.400 2.454 2.285 2.897 0.497 7 0 "[ . 1 . 2]" 1
32 1 42 LEU HA 1 44 ALA H . . 3.670 4.364 3.881 4.600 0.930 8 14 "[ * .**+*** **.****-]" 1
33 1 42 LEU QB 1 42 LEU QD . . 2.480 1.832 1.749 1.941 . 0 0 "[ . 1 . 2]" 1
34 1 42 LEU QB 1 42 LEU HG . . 2.400 2.468 2.339 2.530 0.130 9 0 "[ . 1 . 2]" 1
35 1 42 LEU QB 1 44 ALA H . . 3.180 3.355 2.167 4.100 0.920 6 9 "[ .+-**1* * .* **2]" 1
36 1 42 LEU QD 1 44 ALA H . . 3.470 3.697 2.350 4.864 1.394 10 5 "[ * . + *. - *]" 1
37 1 42 LEU HG 1 44 ALA H . . 2.960 4.827 2.753 6.450 3.490 20 17 "[***** ********* * -+]" 1
38 1 43 PRO HA 1 44 ALA H . . 2.400 2.833 2.510 3.499 1.099 2 6 "[*+ *- 1 * * 2]" 1
39 1 44 ALA H 1 44 ALA HA . . 2.750 2.884 2.762 2.948 0.198 19 0 "[ . 1 . 2]" 1
40 1 44 ALA H 1 44 ALA MB . . 2.400 2.392 2.029 2.883 0.483 2 0 "[ . 1 . 2]" 1
41 1 44 ALA H 1 45 PHE H . . 2.510 2.991 1.815 4.422 1.912 6 7 "[ .+ *1* * .*- *2]" 1
42 1 44 ALA HA 1 45 PHE H . . 2.400 3.122 2.728 3.571 1.171 20 11 "[* -** ** * * *. * +]" 1
43 1 44 ALA HA 1 46 SER H . . 3.310 3.490 3.035 4.262 0.952 15 4 "[ * . * 1 + -]" 1
44 1 44 ALA HA 1 47 GLN H . . 4.150 4.348 3.637 4.746 0.596 15 2 "[ - . 1 + 2]" 1
45 1 44 ALA HA 1 48 VAL H . . 3.380 6.493 4.170 8.726 5.346 15 20 [**************+-****] 1
46 1 44 ALA MB 1 45 PHE H . . 2.480 2.668 1.895 3.704 1.224 15 7 "[ ***. - *+ * 2]" 1
47 1 45 PHE H 1 45 PHE HA . . 2.850 2.589 2.273 2.939 0.089 3 0 "[ . 1 . 2]" 1
48 1 45 PHE H 1 45 PHE QB . . 2.730 2.813 2.106 3.405 0.675 9 6 "[ .* +1* * .* -2]" 1
49 1 45 PHE H 1 45 PHE QD . . 3.750 2.472 1.918 3.407 . 0 0 "[ . 1 . 2]" 1
50 1 45 PHE H 1 46 SER H . . 2.860 2.606 2.166 2.760 . 0 0 "[ . 1 . 2]" 1
51 1 45 PHE HA 1 45 PHE QB . . 2.400 2.353 2.184 2.522 0.122 12 0 "[ . 1 . 2]" 1
52 1 45 PHE HA 1 45 PHE QD . . 2.400 3.044 2.351 3.728 1.328 10 14 "[* **.***-+* **.* **]" 1
53 1 45 PHE HA 1 46 SER H . . 2.920 3.193 2.866 3.453 0.533 12 2 "[ . 1 + . -]" 1
54 1 45 PHE HA 1 47 GLN H . . 3.350 4.555 3.452 5.601 2.251 13 15 "[** .* -***+*******]" 1
55 1 45 PHE HA 1 48 VAL H . . 3.550 5.963 4.272 8.117 4.567 9 20 [********+**********-] 1
56 1 45 PHE QB 1 46 SER H . . 2.420 3.538 3.007 3.851 1.431 10 20 [*********+*-********] 1
57 1 45 PHE QB 1 68 TYR QE . . 2.390 4.372 3.206 6.215 3.825 7 20 [******+***********-*] 1
58 1 45 PHE QD 1 46 SER H . . 3.610 4.300 3.236 4.737 1.127 19 15 "[** *** *1***-****+2]" 1
59 1 45 PHE QD 1 68 TYR QD . . 2.400 4.314 3.373 5.378 2.978 10 20 [-********+**********] 1
60 1 45 PHE QD 1 68 TYR QE . . 2.400 3.701 3.158 4.521 2.121 7 20 [-*****+*************] 1
61 1 46 SER H 1 46 SER QB . . 3.440 2.372 2.062 2.940 . 0 0 "[ . 1 . 2]" 1
62 1 46 SER H 1 47 GLN H . . 2.810 2.743 1.898 3.249 0.439 1 0 "[ . 1 . 2]" 1
63 1 46 SER HA 1 46 SER QB . . 2.410 2.410 2.158 2.541 0.131 14 0 "[ . 1 . 2]" 1
64 1 46 SER HA 1 47 GLN H . . 3.190 3.369 2.732 3.558 0.368 10 0 "[ . 1 . 2]" 1
65 1 46 SER HA 1 48 VAL H . . 3.650 5.553 3.013 6.735 3.085 6 19 "[* ***+******-*******]" 1
66 1 46 SER QB 1 47 GLN H . . 3.650 2.798 2.011 3.962 0.312 15 0 "[ . 1 . 2]" 1
67 1 47 GLN H 1 47 GLN HA . . 2.510 2.810 2.274 2.948 0.438 19 0 "[ . 1 . 2]" 1
68 1 47 GLN H 1 47 GLN QB . . 2.880 2.770 2.076 3.432 0.552 14 3 "[ . 1- +.* 2]" 1
69 1 47 GLN H 1 47 GLN QE . . 3.610 4.518 3.805 4.691 1.081 10 19 "[*********+**-**** **]" 1
70 1 47 GLN H 1 47 GLN QG . . 2.890 3.646 2.243 4.229 1.339 3 14 "[* +-**** * ** . ****]" 1
71 1 47 GLN H 1 48 VAL H . . 4.190 3.395 1.893 4.415 0.225 9 0 "[ . 1 . 2]" 1
72 1 47 GLN HA 1 47 GLN QB . . 2.540 2.394 2.172 2.538 . 0 0 "[ . 1 . 2]" 1
73 1 47 GLN HA 1 47 GLN QE . . 2.230 3.421 2.248 4.489 2.259 3 11 "[ + . *-*** *.*** *]" 1
74 1 47 GLN HA 1 47 GLN QG . . 2.400 2.490 2.054 3.405 1.005 16 4 "[ . *1* -.+ 2]" 1
75 1 47 GLN HA 1 48 VAL H . . 2.400 2.519 2.141 3.559 1.159 1 2 "[+- . 1 . 2]" 1
76 1 47 GLN HA 1 49 ASP H . . 3.750 4.331 3.563 4.729 0.979 13 13 "[- * ****** +*.* **]" 1
77 1 47 GLN HA 1 50 PRO QB . . 2.620 7.549 4.719 9.428 6.808 5 20 [****+*****-*********] 1
78 1 47 GLN HA 1 50 PRO QD . . 2.400 6.171 3.657 8.072 5.672 9 20 [********+*-*********] 1
79 1 47 GLN HA 1 52 VAL H . . 3.550 8.536 7.174 9.446 5.896 5 20 [***-+***************] 1
80 1 47 GLN QB 1 47 GLN QE . . 3.300 2.363 1.919 3.266 . 0 0 "[ . 1 . 2]" 1
81 1 47 GLN QB 1 47 GLN QG . . 2.400 2.032 2.014 2.072 . 0 0 "[ . 1 . 2]" 1
82 1 47 GLN QB 1 48 VAL H . . 3.260 3.559 1.876 4.017 0.757 16 14 "[ *-* * ** ***+****]" 1
83 1 47 GLN QE 1 47 GLN QG . . 2.420 2.425 2.080 2.590 0.170 10 0 "[ . 1 . 2]" 1
84 1 47 GLN QG 1 48 VAL H . . 3.070 3.720 2.166 4.344 1.274 2 14 "[*+ *** 1*-**** ***]" 1
85 1 48 VAL H 1 48 VAL HA . . 2.670 2.876 2.277 2.950 0.280 8 0 "[ . 1 . 2]" 1
86 1 48 VAL H 1 48 VAL HB . . 2.500 3.066 2.501 3.549 1.049 1 9 "[+ -* *1 ** * * *2]" 1
87 1 48 VAL H 1 48 VAL QG . . 2.400 2.326 1.885 3.001 0.601 3 5 "[ + .*- * . *]" 1
88 1 48 VAL H 1 49 ASP H . . 4.100 2.624 1.885 4.003 . 0 0 "[ . 1 . 2]" 1
89 1 48 VAL HA 1 48 VAL HB . . 2.400 2.725 2.402 3.022 0.622 16 8 "[- * .** * *.+ *]" 1
90 1 48 VAL HA 1 48 VAL QG . . 2.400 2.133 1.931 2.294 . 0 0 "[ . 1 . 2]" 1
91 1 48 VAL HA 1 49 ASP H . . 2.400 3.350 2.260 3.570 1.170 20 17 "[****.******* ****- +]" 1
92 1 48 VAL HA 1 51 GLU H . . 3.960 8.105 7.476 8.714 4.754 14 20 [************-+******] 1
93 1 48 VAL HA 1 51 GLU QB . . 2.540 8.476 7.675 9.429 6.889 17 20 [************-***+***] 1
94 1 48 VAL HA 1 52 VAL H . . 4.160 7.449 5.922 8.223 4.063 20 20 [************-******+] 1
95 1 48 VAL HB 1 49 ASP H . . 2.880 3.185 1.909 4.103 1.223 19 12 "[ * ** **1*** * -*+2]" 1
96 1 48 VAL QG 1 49 ASP H . . 2.400 2.503 1.906 3.576 1.176 5 3 "[ + 1 * . -2]" 1
97 1 49 ASP H 1 49 ASP QB . . 2.400 2.752 2.094 2.998 0.598 18 9 "[ * .** ** -.**+ 2]" 1
98 1 49 ASP HA 1 49 ASP QB . . 2.730 2.514 2.233 2.540 . 0 0 "[ . 1 . 2]" 1
99 1 49 ASP HA 1 51 GLU H . . 3.570 4.053 3.221 4.514 0.944 5 12 "[**-*+ ***1 *** *2]" 1
100 1 49 ASP HA 1 52 VAL H . . 4.200 4.640 4.009 4.960 0.760 9 14 "[*****-**+* * * **2]" 1
101 1 49 ASP HA 1 53 PHE H . . 2.530 5.752 5.360 6.188 3.658 16 20 [****-**********+****] 1
102 1 49 ASP QB 1 51 GLU H . . 3.500 3.054 2.461 3.947 0.447 18 0 "[ . 1 . 2]" 1
103 1 50 PRO HA 1 53 PHE QB . . 2.470 3.045 2.230 3.689 1.219 6 14 "[** *.+ *-******** 2]" 1
104 1 51 GLU H 1 51 GLU HA . . 2.400 2.819 2.756 2.928 0.528 12 4 "[ .- 1*+ . * 2]" 1
105 1 51 GLU H 1 51 GLU QB . . 2.400 2.205 2.040 2.789 0.389 17 0 "[ . 1 . 2]" 1
106 1 51 GLU H 1 51 GLU QG . . 3.820 3.055 1.920 3.831 0.011 11 0 "[ . 1 . 2]" 1
107 1 51 GLU H 1 52 VAL H . . 3.460 2.573 2.135 2.765 . 0 0 "[ . 1 . 2]" 1
108 1 51 GLU HA 1 51 GLU QB . . 2.400 2.471 2.179 2.539 0.139 6 0 "[ . 1 . 2]" 1
109 1 51 GLU HA 1 51 GLU QG . . 2.400 2.318 2.033 3.336 0.936 17 1 "[ . 1 . + 2]" 1
110 1 51 GLU HA 1 52 VAL H . . 2.440 3.451 3.352 3.537 1.097 18 20 [*****-***********+**] 1
111 1 51 GLU HA 1 53 PHE H . . 2.840 4.576 3.980 4.943 2.103 10 20 [*********+***-******] 1
112 1 51 GLU HA 1 54 ALA H . . 2.600 3.780 3.302 4.148 1.548 18 20 [*************-***+**] 1
113 1 51 GLU HA 1 54 ALA MB . . 2.400 3.083 2.727 3.738 1.338 18 14 "[ ** *-* ***** . *+**]" 1
114 1 51 GLU HA 1 55 ALA H . . 4.100 4.384 4.054 4.942 0.842 18 6 "[ * 1- . *+**]" 1
115 1 51 GLU QB 1 51 GLU QG . . 2.400 2.051 1.974 2.086 . 0 0 "[ . 1 . 2]" 1
116 1 51 GLU QB 1 52 VAL H . . 2.570 3.007 2.559 3.583 1.013 17 4 "[ .* 1 - .*+ 2]" 1
117 1 52 VAL H 1 52 VAL HA . . 2.440 2.874 2.814 2.911 0.471 5 0 "[ . 1 . 2]" 1
118 1 52 VAL H 1 52 VAL HB . . 2.400 2.612 2.117 2.865 0.465 5 0 "[ . 1 . 2]" 1
119 1 52 VAL H 1 52 VAL QG . . 2.230 2.206 1.891 2.871 0.641 20 2 "[ . 1 -. +]" 1
120 1 52 VAL H 1 53 PHE H . . 3.360 2.501 2.327 2.693 . 0 0 "[ . 1 . 2]" 1
121 1 52 VAL HA 1 52 VAL HB . . 2.570 2.921 2.711 3.014 0.444 15 0 "[ . 1 . 2]" 1
122 1 52 VAL HA 1 52 VAL QG . . 2.400 2.061 2.015 2.129 . 0 0 "[ . 1 . 2]" 1
123 1 52 VAL HA 1 53 PHE H . . 2.700 3.537 3.488 3.569 0.869 6 20 [*****+***********-**] 1
124 1 52 VAL HA 1 54 ALA H . . 3.160 4.524 4.237 4.609 1.449 7 20 [******+*******-*****] 1
125 1 52 VAL HA 1 55 ALA H . . 3.170 3.417 3.286 3.548 0.378 10 0 "[ . 1 . 2]" 1
126 1 52 VAL HA 1 55 ALA MB . . 2.530 2.286 2.063 2.513 . 0 0 "[ . 1 . 2]" 1
127 1 52 VAL HA 1 56 LEU H . . 3.690 4.776 4.726 4.823 1.133 10 20 [*********+*******-**] 1
128 1 52 VAL HB 1 53 PHE H . . 2.560 2.759 2.254 3.612 1.052 12 6 "[ . 1*+ *. ** -]" 1
129 1 52 VAL QG 1 53 PHE H . . 3.000 2.856 2.166 3.178 0.178 2 0 "[ . 1 . 2]" 1
130 1 53 PHE H 1 53 PHE HA . . 2.610 2.812 2.769 2.867 0.257 14 0 "[ . 1 . 2]" 1
131 1 53 PHE H 1 53 PHE QB . . 2.400 2.130 2.071 2.204 . 0 0 "[ . 1 . 2]" 1
132 1 53 PHE H 1 53 PHE QD . . 2.400 3.965 3.645 4.120 1.720 14 20 [*************+*-****] 1
133 1 53 PHE H 1 54 ALA H . . 3.720 2.693 2.482 2.871 . 0 0 "[ . 1 . 2]" 1
134 1 53 PHE HA 1 53 PHE QB . . 2.450 2.495 2.481 2.525 0.075 12 0 "[ . 1 . 2]" 1
135 1 53 PHE HA 1 53 PHE QD . . 2.690 2.907 2.551 3.034 0.344 17 0 "[ . 1 . 2]" 1
136 1 53 PHE HA 1 54 ALA H . . 3.100 3.540 3.506 3.564 0.464 18 0 "[ . 1 . 2]" 1
137 1 53 PHE HA 1 55 ALA H . . 3.810 3.975 3.922 4.021 0.211 16 0 "[ . 1 . 2]" 1
138 1 53 PHE HA 1 56 LEU H . . 3.730 3.831 3.644 3.930 0.200 8 0 "[ . 1 . 2]" 1
139 1 53 PHE HA 1 56 LEU QB . . 3.370 3.957 3.644 4.456 1.086 16 8 "[ * *.** 1 * *+ -]" 1
140 1 53 PHE QB 1 54 ALA H . . 2.640 2.538 2.315 2.767 0.127 16 0 "[ . 1 . 2]" 1
141 1 53 PHE QD 1 54 ALA H . . 3.240 4.114 3.890 4.518 1.278 12 20 [***********+*****-**] 1
142 1 53 PHE QD 1 56 LEU QD . . 2.400 4.404 3.350 5.042 2.642 5 20 [****+*******-*******] 1
143 1 53 PHE QD 1 64 LEU QD . . 2.400 3.355 3.078 3.468 1.068 9 20 [********+******-****] 1
144 1 53 PHE QD 1 68 TYR QE . . 2.400 8.876 7.556 9.473 7.073 14 20 [*************+**-***] 1
145 1 54 ALA H 1 54 ALA HA . . 2.430 2.856 2.814 2.892 0.462 15 0 "[ . 1 . 2]" 1
146 1 54 ALA H 1 54 ALA MB . . 2.400 2.200 2.038 2.260 . 0 0 "[ . 1 . 2]" 1
147 1 54 ALA H 1 55 ALA H . . 4.020 2.493 2.363 2.616 . 0 0 "[ . 1 . 2]" 1
148 1 54 ALA HA 1 55 ALA H . . 2.400 3.418 3.400 3.449 1.049 20 20 [**************-****+] 1
149 1 54 ALA HA 1 56 LEU H . . 3.640 4.103 3.866 4.246 0.606 12 7 "[ *. ** +*-. * 2]" 1
150 1 54 ALA HA 1 57 PRO QB . . 2.600 7.754 7.591 7.932 5.332 17 20 [***************-+***] 1
151 1 54 ALA HA 1 59 GLU H . . 3.240 8.906 8.773 9.283 6.043 12 20 [*********-*+********] 1
152 1 54 ALA MB 1 55 ALA H . . 2.630 3.010 2.903 3.108 0.478 15 0 "[ . 1 . 2]" 1
153 1 54 ALA MB 1 61 GLN QG . . 2.400 6.381 6.144 6.690 4.290 16 20 [***************+-***] 1
154 1 55 ALA H 1 55 ALA HA . . 2.470 2.828 2.815 2.847 0.377 12 0 "[ . 1 . 2]" 1
155 1 55 ALA H 1 55 ALA MB . . 2.400 2.093 2.030 2.237 . 0 0 "[ . 1 . 2]" 1
156 1 55 ALA HA 1 56 LEU H . . 2.400 3.523 3.480 3.532 1.132 3 20 [*-+*****************] 1
157 1 55 ALA HA 1 58 ALA H . . 3.520 8.140 8.006 8.396 4.876 12 20 [**********-+********] 1
158 1 55 ALA HA 1 58 ALA MB . . 2.400 8.455 8.286 8.776 6.376 12 20 [**********-+********] 1
159 1 55 ALA MB 1 56 LEU H . . 2.960 2.712 2.585 2.858 . 0 0 "[ . 1 . 2]" 1
160 1 56 LEU H 1 56 LEU QB . . 3.260 2.443 2.173 2.845 . 0 0 "[ . 1 . 2]" 1
161 1 56 LEU H 1 56 LEU QD . . 2.400 2.901 2.032 3.430 1.030 5 11 "[* * + **** *. -**2]" 1
162 1 56 LEU H 1 56 LEU HG . . 4.260 2.560 1.900 3.160 . 0 0 "[ . 1 . 2]" 1
163 1 56 LEU HA 1 56 LEU QB . . 2.440 2.349 2.180 2.468 0.028 17 0 "[ . 1 . 2]" 1
164 1 56 LEU HA 1 56 LEU QD . . 2.400 2.419 1.959 3.126 0.726 13 1 "[ . 1 + . 2]" 1
165 1 56 LEU HA 1 56 LEU HG . . 2.680 2.950 2.363 3.562 0.882 16 7 "[ * -.** 1 *+ *]" 1
166 1 56 LEU HA 1 58 ALA H . . 4.030 6.225 6.179 6.353 2.323 12 20 [**********-+********] 1
167 1 56 LEU HA 1 59 GLU H . . 3.620 7.463 7.302 7.839 4.219 16 20 [***************+*-**] 1
168 1 56 LEU HA 1 59 GLU QB . . 3.000 7.539 7.396 7.888 4.888 16 20 [*******-*******+****] 1
169 1 56 LEU QB 1 56 LEU QD . . 2.400 1.860 1.750 1.941 . 0 0 "[ . 1 . 2]" 1
170 1 56 LEU QB 1 56 LEU HG . . 2.510 2.422 2.322 2.525 0.015 13 0 "[ . 1 . 2]" 1
171 1 56 LEU QB 1 58 ALA H . . 3.630 5.457 5.409 5.610 1.980 12 20 [***********+**-*****] 1
172 1 56 LEU HG 1 58 ALA H . . 3.910 8.115 7.642 8.449 4.539 18 20 [***************-*+**] 1
173 1 57 PRO HA 1 58 ALA H . . 2.400 2.192 2.176 2.257 . 0 0 "[ . 1 . 2]" 1
174 1 57 PRO HA 1 60 LEU QB . . 2.840 4.968 4.520 5.073 2.233 17 20 [***********-****+***] 1
175 1 58 ALA H 1 58 ALA HA . . 2.810 2.752 2.746 2.756 . 0 0 "[ . 1 . 2]" 1
176 1 58 ALA H 1 58 ALA MB . . 2.400 2.132 2.030 2.235 . 0 0 "[ . 1 . 2]" 1
177 1 58 ALA H 1 59 GLU H . . 4.320 2.812 2.786 2.909 . 0 0 "[ . 1 . 2]" 1
178 1 58 ALA HA 1 59 GLU H . . 3.040 3.517 3.498 3.558 0.518 16 1 "[ . 1 .+ 2]" 1
179 1 58 ALA HA 1 60 LEU H . . 2.910 4.195 3.945 4.595 1.685 12 20 [***********+***-****] 1
180 1 58 ALA HA 1 61 GLN H . . 2.830 3.234 3.132 3.745 0.915 12 1 "[ . 1 + . 2]" 1
181 1 58 ALA HA 1 61 GLN QB . . 2.400 2.532 1.967 3.938 1.538 12 1 "[ . 1 + . 2]" 1
182 1 58 ALA HA 1 61 GLN QG . . 2.400 2.174 1.911 3.084 0.684 17 1 "[ . 1 . + 2]" 1
183 1 58 ALA HA 1 62 ARG H . . 4.060 3.662 3.529 3.985 . 0 0 "[ . 1 . 2]" 1
184 1 58 ALA HA 1 63 GLU H . . 3.520 5.986 5.834 6.535 3.015 12 20 [******-****+********] 1
185 1 58 ALA MB 1 59 GLU H . . 2.400 2.709 2.521 2.857 0.457 20 0 "[ . 1 . 2]" 1
186 1 59 GLU H 1 59 GLU HA . . 2.480 2.779 2.751 2.812 0.332 12 0 "[ . 1 . 2]" 1
187 1 59 GLU H 1 59 GLU QB . . 2.400 2.241 2.066 2.393 . 0 0 "[ . 1 . 2]" 1
188 1 59 GLU H 1 59 GLU QG . . 2.740 3.694 2.298 4.043 1.303 19 16 "[****.*-*** ***** +*]" 1
189 1 59 GLU H 1 60 LEU H . . 4.260 2.759 2.684 2.851 . 0 0 "[ . 1 . 2]" 1
190 1 59 GLU HA 1 59 GLU QB . . 2.400 2.380 2.296 2.517 0.117 7 0 "[ . 1 . 2]" 1
191 1 59 GLU HA 1 59 GLU QG . . 2.400 2.838 2.587 3.197 0.797 4 8 "[** +.* * .* -*]" 1
192 1 59 GLU HA 1 60 LEU H . . 2.860 3.529 3.491 3.553 0.693 12 20 [***********+***-****] 1
193 1 59 GLU HA 1 61 GLN H . . 3.940 4.753 4.726 4.834 0.894 12 20 [******-****+********] 1
194 1 59 GLU HA 1 62 ARG H . . 2.580 3.965 3.529 4.077 1.497 7 20 [******+****-********] 1
195 1 59 GLU HA 1 62 ARG QB . . 2.400 3.829 2.307 4.305 1.905 7 19 "[******+**** ***-****]" 1
196 1 59 GLU HA 1 62 ARG QG . . 2.400 2.706 2.173 4.115 1.715 12 8 "[* . ***+**- 2]" 1
197 1 59 GLU HA 1 63 GLU H . . 2.400 4.803 4.486 4.992 2.592 16 20 [***********-***+****] 1
198 1 59 GLU QB 1 59 GLU QG . . 2.400 1.999 1.954 2.018 . 0 0 "[ . 1 . 2]" 1
199 1 59 GLU QB 1 60 LEU H . . 2.460 2.614 2.483 2.817 0.357 16 0 "[ . 1 . 2]" 1
200 1 59 GLU QG 1 60 LEU H . . 4.240 3.806 3.406 4.236 . 0 0 "[ . 1 . 2]" 1
201 1 60 LEU H 1 60 LEU HA . . 2.500 2.896 2.804 2.904 0.404 13 0 "[ . 1 . 2]" 1
202 1 60 LEU H 1 60 LEU QB . . 2.400 2.231 2.143 2.402 0.002 17 0 "[ . 1 . 2]" 1
203 1 60 LEU H 1 60 LEU QD . . 2.400 3.334 3.212 3.670 1.270 12 20 [***********+****-***] 1
204 1 60 LEU H 1 60 LEU HG . . 2.740 3.872 2.450 4.515 1.775 16 14 "[** *.** *******+ -]" 1
205 1 60 LEU H 1 61 GLN H . . 3.320 2.363 2.316 2.809 . 0 0 "[ . 1 . 2]" 1
206 1 60 LEU H 1 62 ARG H . . 3.750 3.796 3.725 4.021 0.271 17 0 "[ . 1 . 2]" 1
207 1 60 LEU HA 1 60 LEU QB . . 2.400 2.272 2.211 2.375 . 0 0 "[ . 1 . 2]" 1
208 1 60 LEU HA 1 60 LEU QD . . 2.400 2.849 1.963 3.245 0.845 9 14 "[** *.** +**-**** *]" 1
209 1 60 LEU HA 1 60 LEU HG . . 2.400 2.873 2.538 3.045 0.645 17 6 "[ * * - 1 . +**2]" 1
210 1 60 LEU HA 1 61 GLN H . . 2.820 3.530 3.521 3.565 0.745 12 20 [*-*********+********] 1
211 1 60 LEU HA 1 62 ARG H . . 2.430 4.012 3.834 4.114 1.684 16 20 [**-************+****] 1
212 1 60 LEU HA 1 63 GLU H . . 2.410 3.247 3.053 3.637 1.227 12 20 [***********+****-***] 1
213 1 60 LEU HA 1 63 GLU QB . . 2.400 2.593 2.151 3.302 0.902 12 1 "[ . 1 + . 2]" 1
214 1 60 LEU HA 1 64 LEU H . . 3.110 4.588 4.084 4.720 1.610 12 20 [***********+****-***] 1
215 1 60 LEU QB 1 60 LEU QD . . 2.400 1.842 1.782 1.917 . 0 0 "[ . 1 . 2]" 1
216 1 60 LEU QB 1 60 LEU HG . . 2.400 2.454 2.377 2.508 0.108 15 0 "[ . 1 . 2]" 1
217 1 60 LEU QB 1 61 GLN H . . 2.620 2.685 2.298 2.819 0.199 2 0 "[ . 1 . 2]" 1
218 1 60 LEU QD 1 61 GLN H . . 2.400 2.987 2.465 4.071 1.671 3 6 "[ + * * 1 . -**2]" 1
219 1 60 LEU HG 1 61 GLN H . . 2.730 4.109 3.873 4.394 1.664 3 20 [**+****************-] 1
220 1 61 GLN H 1 61 GLN HA . . 2.620 2.811 2.768 2.826 0.206 20 0 "[ . 1 . 2]" 1
221 1 61 GLN H 1 61 GLN QB . . 2.890 2.093 2.043 2.507 . 0 0 "[ . 1 . 2]" 1
222 1 61 GLN H 1 61 GLN QE . . 3.550 3.899 3.783 4.198 0.648 17 3 "[ . - 1 * . + 2]" 1
223 1 61 GLN H 1 61 GLN QG . . 2.610 3.192 2.232 3.779 1.169 17 16 "[*********** **. +* -]" 1
224 1 61 GLN H 1 62 ARG H . . 2.560 2.624 2.576 2.765 0.205 17 0 "[ . 1 . 2]" 1
225 1 61 GLN HA 1 61 GLN QB . . 2.400 2.155 2.147 2.205 . 0 0 "[ . 1 . 2]" 1
226 1 61 GLN HA 1 61 GLN QE . . 3.020 4.363 4.242 4.689 1.669 12 20 [***********+****-***] 1
227 1 61 GLN HA 1 61 GLN QG . . 2.400 3.104 2.785 3.338 0.938 12 18 "[*-**** ****+**** ***]" 1
228 1 61 GLN HA 1 62 ARG H . . 3.090 3.478 3.444 3.517 0.427 17 0 "[ . 1 . 2]" 1
229 1 61 GLN HA 1 63 GLU H . . 3.390 4.122 3.920 4.288 0.898 17 20 [**************-*+***] 1
230 1 61 GLN HA 1 64 LEU H . . 3.220 3.602 3.172 3.828 0.608 7 1 "[ . + 1 . 2]" 1
231 1 61 GLN HA 1 64 LEU QB . . 2.400 3.633 2.726 4.036 1.636 7 19 "[******+**** ***-****]" 1
232 1 61 GLN HA 1 64 LEU QD . . 2.480 1.890 1.870 1.923 . 0 0 "[ . 1 . 2]" 1
233 1 61 GLN HA 1 64 LEU HG . . 3.240 3.186 2.824 3.276 0.036 19 0 "[ . 1 . 2]" 1
234 1 61 GLN HA 1 65 LYS H . . 4.130 4.452 3.757 4.572 0.442 10 0 "[ . 1 . 2]" 1
235 1 61 GLN QB 1 61 GLN QE . . 2.910 1.942 1.886 2.377 . 0 0 "[ . 1 . 2]" 1
236 1 61 GLN QB 1 61 GLN QG . . 2.400 2.078 2.054 2.083 . 0 0 "[ . 1 . 2]" 1
237 1 61 GLN QB 1 62 ARG H . . 2.590 3.328 2.894 3.607 1.017 12 18 "[*-**** ****+**** ***]" 1
238 1 61 GLN QE 1 61 GLN QG . . 2.720 2.609 2.370 2.631 . 0 0 "[ . 1 . 2]" 1
239 1 61 GLN QG 1 62 ARG H . . 3.670 2.651 2.278 3.073 . 0 0 "[ . 1 . 2]" 1
240 1 62 ARG H 1 62 ARG HA . . 2.740 2.881 2.834 2.900 0.160 20 0 "[ . 1 . 2]" 1
241 1 62 ARG H 1 62 ARG QB . . 2.400 2.430 2.203 2.581 0.181 3 0 "[ . 1 . 2]" 1
242 1 62 ARG H 1 62 ARG QD . . 3.980 3.877 3.338 4.732 0.752 12 1 "[ . 1 + . 2]" 1
243 1 62 ARG H 1 62 ARG QG . . 2.920 2.469 2.189 3.920 1.000 12 1 "[ . 1 + . 2]" 1
244 1 62 ARG H 1 63 GLU H . . 2.560 2.380 2.298 2.568 0.008 12 0 "[ . 1 . 2]" 1
245 1 62 ARG HA 1 62 ARG QB . . 2.400 2.178 2.165 2.279 . 0 0 "[ . 1 . 2]" 1
246 1 62 ARG HA 1 62 ARG QD . . 2.430 4.119 3.666 4.347 1.917 12 20 [***********+***-****] 1
247 1 62 ARG HA 1 62 ARG QG . . 2.790 3.302 2.612 3.415 0.625 16 18 "[-********** **.+****]" 1
248 1 62 ARG HA 1 63 GLU H . . 2.400 3.462 3.431 3.509 1.109 12 20 [***********+**-*****] 1
249 1 62 ARG HA 1 64 LEU H . . 3.540 4.041 4.010 4.171 0.631 12 6 "[ . 1 + **- **]" 1
250 1 62 ARG HA 1 65 LYS H . . 2.970 3.301 3.221 3.582 0.612 12 2 "[ . 1 + .- 2]" 1
251 1 62 ARG HA 1 65 LYS QB . . 2.400 2.844 2.552 4.016 1.616 16 3 "[ . 1 - *+ 2]" 1
252 1 62 ARG HA 1 65 LYS QD . . 2.870 2.530 2.223 2.684 . 0 0 "[ . 1 . 2]" 1
253 1 62 ARG HA 1 65 LYS QG . . 2.750 3.492 1.969 3.951 1.201 2 17 "[*+*******-* **. ****]" 1
254 1 62 ARG HA 1 66 ALA H . . 2.590 3.577 3.430 3.891 1.301 12 20 [-**********+********] 1
255 1 62 ARG QB 1 62 ARG QD . . 2.400 2.110 1.942 2.471 0.071 12 0 "[ . 1 . 2]" 1
256 1 62 ARG QB 1 62 ARG QG . . 2.400 2.060 2.021 2.087 . 0 0 "[ . 1 . 2]" 1
257 1 62 ARG QB 1 63 GLU H . . 2.460 3.547 2.786 3.633 1.173 20 19 "[**********- *******+]" 1
258 1 62 ARG QD 1 62 ARG QG . . 2.400 2.075 1.968 2.090 . 0 0 "[ . 1 . 2]" 1
259 1 62 ARG QG 1 63 GLU H . . 3.110 2.336 2.122 3.427 0.317 12 0 "[ . 1 . 2]" 1
260 1 63 GLU H 1 63 GLU HA . . 2.580 2.858 2.841 2.891 0.311 15 0 "[ . 1 . 2]" 1
261 1 63 GLU H 1 63 GLU QB . . 2.400 2.234 2.229 2.251 . 0 0 "[ . 1 . 2]" 1
262 1 63 GLU H 1 63 GLU QG . . 2.880 3.929 3.925 3.933 1.053 7 20 [***-**+*************] 1
263 1 63 GLU H 1 64 LEU H . . 3.900 2.471 2.338 2.538 . 0 0 "[ . 1 . 2]" 1
264 1 63 GLU HA 1 63 GLU QB . . 2.400 2.306 2.304 2.309 . 0 0 "[ . 1 . 2]" 1
265 1 63 GLU HA 1 63 GLU QG . . 2.550 2.502 2.485 2.521 . 0 0 "[ . 1 . 2]" 1
266 1 63 GLU HA 1 64 LEU H . . 2.970 3.475 3.446 3.490 0.520 7 14 "[* ***+**-* **. ***]" 1
267 1 63 GLU HA 1 65 LYS H . . 2.880 4.397 4.295 4.603 1.723 20 20 [**********-********+] 1
268 1 63 GLU HA 1 66 ALA H . . 2.970 3.741 3.531 3.841 0.871 17 20 [***************-+***] 1
269 1 63 GLU HA 1 66 ALA MB . . 2.400 2.929 2.588 3.163 0.763 20 13 "[* ***** -** * . ** +]" 1
270 1 63 GLU HA 1 67 ALA H . . 2.400 3.619 3.556 3.686 1.286 8 20 [*******+***-********] 1
271 1 63 GLU QB 1 63 GLU QG . . 2.400 2.051 2.040 2.073 . 0 0 "[ . 1 . 2]" 1
272 1 63 GLU QB 1 64 LEU H . . 2.720 2.886 2.832 2.983 0.263 12 0 "[ . 1 . 2]" 1
273 1 63 GLU QG 1 64 LEU H . . 3.980 3.707 3.660 3.779 . 0 0 "[ . 1 . 2]" 1
274 1 64 LEU H 1 64 LEU HA . . 2.470 2.894 2.892 2.900 0.430 12 0 "[ . 1 . 2]" 1
275 1 64 LEU H 1 64 LEU QB . . 2.400 2.388 2.200 2.515 0.115 20 0 "[ . 1 . 2]" 1
276 1 64 LEU H 1 64 LEU QD . . 2.400 3.086 2.980 3.403 1.003 12 20 [***********+*******-] 1
277 1 64 LEU H 1 64 LEU HG . . 2.710 2.629 2.319 3.128 0.418 12 0 "[ . 1 . 2]" 1
278 1 64 LEU H 1 65 LYS H . . 3.410 2.339 2.307 2.373 . 0 0 "[ . 1 . 2]" 1
279 1 64 LEU HA 1 64 LEU QB . . 2.400 2.153 2.134 2.162 . 0 0 "[ . 1 . 2]" 1
280 1 64 LEU HA 1 64 LEU QD . . 2.400 3.280 2.949 3.374 0.974 20 20 [***********-*******+] 1
281 1 64 LEU HA 1 64 LEU HG . . 2.500 3.677 3.665 3.694 1.194 3 20 [**+********-********] 1
282 1 64 LEU HA 1 65 LYS H . . 2.710 3.500 3.482 3.527 0.817 20 20 [**********-********+] 1
283 1 64 LEU HA 1 67 ALA H . . 2.400 3.861 3.728 4.018 1.618 17 20 [****************+**-] 1
284 1 64 LEU HA 1 67 ALA MB . . 2.400 2.813 2.620 2.999 0.599 15 3 "[ . 1 - +* 2]" 1
285 1 64 LEU HA 1 68 TYR H . . 2.400 4.470 3.978 4.575 2.175 19 20 [******************+-] 1
286 1 64 LEU QB 1 64 LEU QD . . 2.400 1.744 1.725 1.831 . 0 0 "[ . 1 . 2]" 1
287 1 64 LEU QB 1 64 LEU HG . . 2.400 2.486 2.447 2.498 0.098 10 0 "[ . 1 . 2]" 1
288 1 64 LEU QB 1 65 LYS H . . 2.920 3.463 3.322 3.508 0.588 10 17 "[*********+* **- ***2]" 1
289 1 64 LEU QD 1 65 LYS H . . 2.400 2.948 2.561 3.227 0.827 12 16 "[** -** ****+**.****2]" 1
290 1 64 LEU HG 1 65 LYS H . . 2.800 2.087 1.921 2.302 . 0 0 "[ . 1 . 2]" 1
291 1 65 LYS H 1 65 LYS HA . . 2.430 2.882 2.838 2.895 0.465 16 0 "[ . 1 . 2]" 1
292 1 65 LYS H 1 65 LYS QB . . 2.630 2.465 2.387 2.660 0.030 16 0 "[ . 1 . 2]" 1
293 1 65 LYS H 1 65 LYS QD . . 3.040 3.426 3.285 3.485 0.445 20 0 "[ . 1 . 2]" 1
294 1 65 LYS H 1 65 LYS QG . . 2.990 2.275 1.893 2.445 . 0 0 "[ . 1 . 2]" 1
295 1 65 LYS H 1 66 ALA H . . 3.910 2.445 2.324 2.592 . 0 0 "[ . 1 . 2]" 1
296 1 65 LYS HA 1 65 LYS QB . . 2.400 2.335 2.178 2.385 . 0 0 "[ . 1 . 2]" 1
297 1 65 LYS HA 1 65 LYS QD . . 2.420 4.169 4.146 4.251 1.831 12 20 [***********+*******-] 1
298 1 65 LYS HA 1 65 LYS QG . . 2.590 2.634 2.470 3.343 0.753 16 3 "[ . 1 - *+ 2]" 1
299 1 65 LYS HA 1 66 ALA H . . 2.880 3.530 3.452 3.558 0.678 17 20 [**************-*+***] 1
300 1 65 LYS HA 1 68 TYR H . . 2.890 3.785 3.628 3.947 1.057 20 20 [****************-**+] 1
301 1 65 LYS HA 1 68 TYR QB . . 2.710 3.047 2.675 3.125 0.415 8 0 "[ . 1 . 2]" 1
302 1 65 LYS HA 1 69 ASP H . . 3.090 4.997 4.870 5.190 2.100 11 20 [**********+********-] 1
303 1 65 LYS QB 1 65 LYS QD . . 2.400 2.049 2.016 2.129 . 0 0 "[ . 1 . 2]" 1
304 1 65 LYS QB 1 65 LYS QG . . 2.400 2.072 2.064 2.077 . 0 0 "[ . 1 . 2]" 1
305 1 65 LYS QB 1 66 ALA H . . 3.120 2.669 2.401 3.609 0.489 15 0 "[ . 1 . 2]" 1
306 1 65 LYS QD 1 65 LYS QG . . 2.400 2.036 2.028 2.076 . 0 0 "[ . 1 . 2]" 1
307 1 65 LYS QD 1 66 ALA H . . 2.850 4.331 4.223 4.552 1.702 8 20 [*****-*+************] 1
308 1 65 LYS QG 1 66 ALA H . . 2.940 3.800 2.255 4.117 1.177 8 17 "[**-****+*** **. ****]" 1
309 1 66 ALA H 1 66 ALA HA . . 2.400 2.841 2.803 2.886 0.486 15 0 "[ . 1 . 2]" 1
310 1 66 ALA H 1 66 ALA MB . . 2.440 2.226 2.135 2.275 . 0 0 "[ . 1 . 2]" 1
311 1 66 ALA H 1 67 ALA H . . 2.400 2.617 2.463 2.778 0.378 17 0 "[ . 1 . 2]" 1
312 1 66 ALA HA 1 67 ALA H . . 2.400 3.548 3.539 3.561 1.161 17 20 [****************+-**] 1
313 1 66 ALA HA 1 68 TYR H . . 2.400 4.187 3.926 4.353 1.953 8 20 [*******+*-**********] 1
314 1 66 ALA HA 1 69 ASP H . . 3.120 3.297 3.236 3.383 0.263 17 0 "[ . 1 . 2]" 1
315 1 66 ALA HA 1 69 ASP QB . . 2.400 2.752 2.432 3.070 0.670 11 3 "[ . 1+ -* 2]" 1
316 1 66 ALA HA 1 70 GLN H . . 2.400 4.092 4.064 4.154 1.754 9 20 [********+*******-***] 1
317 1 66 ALA MB 1 67 ALA H . . 3.320 2.468 2.371 2.546 . 0 0 "[ . 1 . 2]" 1
318 1 67 ALA H 1 67 ALA HA . . 2.400 2.762 2.750 2.776 0.376 17 0 "[ . 1 . 2]" 1
319 1 67 ALA H 1 67 ALA MB . . 2.400 2.206 2.075 2.237 . 0 0 "[ . 1 . 2]" 1
320 1 67 ALA H 1 68 TYR H . . 2.400 2.803 2.721 2.860 0.460 20 0 "[ . 1 . 2]" 1
321 1 67 ALA HA 1 68 TYR H . . 2.400 3.527 3.482 3.547 1.147 8 20 [*******+********-***] 1
322 1 67 ALA HA 1 69 ASP H . . 4.110 4.043 3.949 4.123 0.013 16 0 "[ . 1 . 2]" 1
323 1 67 ALA HA 1 70 GLN H . . 2.690 3.329 3.279 3.370 0.680 13 20 [************+**-****] 1
324 1 67 ALA HA 1 70 GLN QB . . 2.920 2.602 2.321 2.821 . 0 0 "[ . 1 . 2]" 1
325 1 67 ALA HA 1 70 GLN QG . . 2.940 2.658 2.393 3.242 0.302 9 0 "[ . 1 . 2]" 1
326 1 67 ALA HA 1 71 ARG H . . 2.700 4.182 3.791 4.650 1.950 9 20 [********+*******-***] 1
327 1 67 ALA MB 1 68 TYR H . . 2.400 2.639 2.509 2.833 0.433 17 0 "[ . 1 . 2]" 1
328 1 68 TYR H 1 68 TYR HA . . 2.400 2.830 2.798 2.857 0.457 10 0 "[ . 1 . 2]" 1
329 1 68 TYR H 1 68 TYR QB . . 2.230 2.094 2.070 2.132 . 0 0 "[ . 1 . 2]" 1
330 1 68 TYR H 1 68 TYR QD . . 2.400 2.797 2.567 2.991 0.591 19 2 "[ . 1 . -+2]" 1
331 1 68 TYR H 1 68 TYR QE . . 2.780 5.079 4.895 5.268 2.488 19 20 [***********-******+*] 1
332 1 68 TYR H 1 69 ASP H . . 3.120 2.561 2.471 2.670 . 0 0 "[ . 1 . 2]" 1
333 1 68 TYR HA 1 68 TYR QB . . 2.570 2.521 2.504 2.532 . 0 0 "[ . 1 . 2]" 1
334 1 68 TYR HA 1 68 TYR QD . . 2.400 2.663 2.221 3.003 0.603 16 5 "[ .* 1- * .+ *]" 1
335 1 68 TYR HA 1 69 ASP H . . 2.890 3.468 3.455 3.503 0.613 11 20 [**********+******-**] 1
336 1 68 TYR HA 1 70 GLN H . . 2.400 4.565 4.320 4.717 2.317 11 20 [********-*+*********] 1
337 1 68 TYR HA 1 71 ARG H . . 2.850 4.112 3.989 4.283 1.433 12 20 [***********+-*******] 1
338 1 68 TYR HA 1 71 ARG QB . . 2.910 4.394 3.608 5.555 2.645 12 20 [*****-*****+********] 1
339 1 68 TYR HA 1 72 GLN H . . 2.400 5.098 4.738 6.221 3.821 14 20 [*************+**-***] 1
340 1 68 TYR QB 1 69 ASP H . . 2.560 2.955 2.850 2.999 0.439 18 0 "[ . 1 . 2]" 1
341 1 68 TYR QD 1 69 ASP H . . 2.580 4.661 4.609 4.710 2.130 19 20 [***********-******+*] 1
342 1 69 ASP H 1 69 ASP HA . . 2.410 2.901 2.887 2.921 0.511 17 4 "[ . - * * + 2]" 1
343 1 69 ASP H 1 69 ASP QB . . 2.400 2.251 2.119 2.327 . 0 0 "[ . 1 . 2]" 1
344 1 69 ASP H 1 70 GLN H . . 3.420 2.338 2.245 2.415 . 0 0 "[ . 1 . 2]" 1
345 1 69 ASP HA 1 69 ASP QB . . 2.400 2.459 2.316 2.535 0.135 1 0 "[ . 1 . 2]" 1
346 1 69 ASP HA 1 70 GLN H . . 2.930 3.523 3.488 3.539 0.609 6 20 [*****+**-***********] 1
347 1 69 ASP HA 1 71 ARG H . . 2.830 4.522 4.466 4.539 1.709 13 20 [************+-******] 1
348 1 69 ASP HA 1 72 GLN H . . 2.700 3.382 3.148 4.176 1.476 14 18 "[******** *-**+* ****]" 1
349 1 69 ASP QB 1 70 GLN H . . 2.880 2.675 2.560 2.882 0.002 9 0 "[ . 1 . 2]" 1
350 1 70 GLN H 1 70 GLN HA . . 2.680 2.764 2.747 2.788 0.108 13 0 "[ . 1 . 2]" 1
351 1 70 GLN H 1 70 GLN QB . . 2.800 2.420 2.164 2.446 . 0 0 "[ . 1 . 2]" 1
352 1 70 GLN H 1 70 GLN QE . . 4.480 2.742 2.693 2.836 . 0 0 "[ . 1 . 2]" 1
353 1 70 GLN H 1 70 GLN QG . . 2.300 2.364 2.275 3.560 1.260 9 1 "[ . +1 . 2]" 1
354 1 70 GLN H 1 71 ARG H . . 2.400 2.893 2.815 2.987 0.587 9 9 "[ * *+1** -.* **]" 1
355 1 70 GLN HA 1 70 GLN QB . . 2.410 2.403 2.392 2.509 0.099 9 0 "[ . 1 . 2]" 1
356 1 70 GLN HA 1 70 GLN QE . . 2.400 2.723 1.935 2.834 0.434 6 0 "[ . 1 . 2]" 1
357 1 70 GLN HA 1 70 GLN QG . . 2.420 2.972 2.332 3.017 0.597 13 19 "[******** ***+*****-*]" 1
358 1 70 GLN HA 1 71 ARG H . . 2.400 3.562 3.559 3.569 1.169 9 20 [********+***-*******] 1
359 1 70 GLN HA 1 72 GLN H . . 2.400 3.967 3.812 4.016 1.616 9 20 [********+*****-*****] 1
360 1 70 GLN QB 1 70 GLN QE . . 2.520 3.460 3.186 3.499 0.979 6 20 [*****+**-***********] 1
361 1 70 GLN QB 1 70 GLN QG . . 2.400 1.967 1.963 2.000 . 0 0 "[ . 1 . 2]" 1
362 1 70 GLN QB 1 71 ARG H . . 2.830 2.371 2.341 2.425 . 0 0 "[ . 1 . 2]" 1
363 1 70 GLN QE 1 70 GLN QG . . 2.570 2.118 2.098 2.277 . 0 0 "[ . 1 . 2]" 1
364 1 70 GLN QG 1 71 ARG H . . 2.980 4.057 4.029 4.314 1.334 9 20 [********+**********-] 1
365 1 71 ARG H 1 71 ARG HA . . 2.400 2.862 2.787 2.939 0.539 12 6 "[ * ** 1 + -. *]" 1
366 1 71 ARG H 1 71 ARG QB . . 2.920 2.617 2.357 2.927 0.007 12 0 "[ . 1 . 2]" 1
367 1 71 ARG H 1 71 ARG QD . . 3.220 2.935 2.242 3.319 0.099 15 0 "[ . 1 . 2]" 1
368 1 71 ARG H 1 71 ARG QG . . 2.590 2.078 1.848 2.598 0.008 19 0 "[ . 1 . 2]" 1
369 1 71 ARG H 1 72 GLN H . . 2.400 2.667 2.469 3.213 0.813 14 3 "[ - . 1 +. *]" 1
370 1 71 ARG HA 1 71 ARG QB . . 2.400 2.257 2.176 2.348 . 0 0 "[ . 1 . 2]" 1
371 1 71 ARG HA 1 71 ARG QD . . 2.880 3.346 2.016 4.130 1.250 19 13 "[ * *** *1** *-** +*]" 1
372 1 71 ARG HA 1 71 ARG QG . . 2.400 3.126 2.532 3.430 1.030 15 17 "[***** ***- ***+* ***]" 1
373 1 71 ARG HA 1 72 GLN H . . 2.400 3.250 2.732 3.445 1.045 19 17 "[* *-********* ****+2]" 1
374 1 71 ARG QB 1 71 ARG QD . . 2.480 2.249 1.939 2.842 0.362 13 0 "[ . 1 . 2]" 1
375 1 71 ARG QB 1 71 ARG QG . . 2.400 2.022 1.990 2.066 . 0 0 "[ . 1 . 2]" 1
376 1 71 ARG QB 1 72 GLN H . . 3.080 3.454 2.987 4.042 0.962 14 10 "[ * ** *1 * +** -*]" 1
377 1 71 ARG QD 1 71 ARG QG . . 2.400 2.038 1.992 2.085 . 0 0 "[ . 1 . 2]" 1
378 1 71 ARG QG 1 72 GLN H . . 4.170 3.678 2.188 4.188 0.018 17 0 "[ . 1 . 2]" 1
379 1 72 GLN H 1 72 GLN HA . . 2.400 2.657 2.274 2.947 0.547 8 4 "[ * . + 1 -. *]" 1
380 1 72 GLN H 1 72 GLN QB . . 3.050 2.694 2.056 3.418 0.368 9 0 "[ . 1 . 2]" 1
381 1 72 GLN H 1 72 GLN QG . . 2.400 3.512 2.608 4.004 1.604 14 18 "[**-***** * **+******]" 1
382 1 72 GLN HA 1 72 GLN QB . . 2.400 2.458 2.173 2.538 0.138 13 0 "[ . 1 . 2]" 1
383 1 72 GLN HA 1 72 GLN QG . . 2.480 2.327 2.023 3.323 0.843 11 2 "[ . -1+ . 2]" 1
384 1 72 GLN QB 1 72 GLN QG . . 2.400 2.043 2.002 2.086 . 0 0 "[ . 1 . 2]" 1
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