NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
581491 |
2mrf   |
25071 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mrf
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 591
_Distance_constraint_stats_list.Viol_count 1902
_Distance_constraint_stats_list.Viol_total 8163.360
_Distance_constraint_stats_list.Viol_max 1.286
_Distance_constraint_stats_list.Viol_rms 0.1097
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0345
_Distance_constraint_stats_list.Viol_average_violations_only 0.2146
_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 5 VAL 12.669 1.286 13 2 "[ * 1 + . 2]"
1 6 THR 17.263 1.286 13 2 "[ * 1 + . 2]"
1 7 LYS 20.434 0.439 5 0 "[ . 1 . 2]"
1 8 VAL 49.622 0.765 15 20 [******-*******+*****]
1 9 ASP 8.181 0.370 20 0 "[ . 1 . 2]"
1 10 CYS 17.829 0.620 19 4 "[- . 1 *. +*]"
1 11 PRO 14.425 0.571 1 1 "[+ . 1 . 2]"
1 12 VAL 27.347 0.930 15 9 "[* **** 1 *+*- 2]"
1 13 CYS 24.056 0.580 4 4 "[ +. -* . *2]"
1 14 GLY 11.569 0.646 7 2 "[ . + 1- . 2]"
1 15 VAL 37.014 0.646 7 7 "[ ** + -** . *2]"
1 16 ASN 14.069 0.486 5 0 "[ . 1 . 2]"
1 17 ILE 123.439 1.103 4 20 [***+****************]
1 18 PRO 46.902 0.563 9 6 "[ * *+1 . ** -]"
1 19 GLU 37.309 0.601 16 17 "[* ******-*** *.+****]"
1 20 SER 5.731 0.355 11 0 "[ . 1 . 2]"
1 21 HIS 11.541 0.480 10 0 "[ . 1 . 2]"
1 22 ILE 133.152 1.103 4 20 [***+**-*************]
1 23 ASN 23.401 0.595 10 9 "[* -*. * + **. * *]"
1 24 LYS 41.483 0.878 16 20 [*******-*******+****]
1 25 HIS 38.899 0.878 16 17 "[****.*-**1*****+* **]"
1 26 LEU 40.934 0.897 15 9 "[** . 1* **+ - **]"
1 27 ASP 10.213 0.289 20 0 "[ . 1 . 2]"
1 28 SER 4.083 0.827 6 1 "[ .+ 1 . 2]"
1 29 CYS 4.343 0.347 6 0 "[ . 1 . 2]"
1 30 LEU 9.733 0.930 15 8 "[* -*** 1 *+* 2]"
1 31 SER 4.391 0.827 6 1 "[ .+ 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 GLY H 1 15 VAL QG . . 4.170 3.408 3.244 3.759 . 0 0 "[ . 1 . 2]" 1
2 1 9 ASP HB2 1 14 GLY H . . 5.310 4.985 4.655 5.358 0.048 6 0 "[ . 1 . 2]" 1
3 1 10 CYS QB 1 14 GLY H . . 3.650 2.092 1.762 2.771 . 0 0 "[ . 1 . 2]" 1
4 1 13 CYS HB2 1 14 GLY H . . 4.470 4.139 3.946 4.491 0.021 11 0 "[ . 1 . 2]" 1
5 1 14 GLY H 1 15 VAL HA . . 4.740 5.104 5.000 5.386 0.646 7 2 "[ . + 1- . 2]" 1
6 1 10 CYS HA 1 14 GLY H . . 4.360 4.458 4.263 4.812 0.452 7 0 "[ . 1 . 2]" 1
7 1 13 CYS H 1 14 GLY H . . 3.040 2.133 2.010 2.276 . 0 0 "[ . 1 . 2]" 1
8 1 12 VAL H 1 14 GLY H . . 3.990 3.898 3.703 4.054 0.064 8 0 "[ . 1 . 2]" 1
9 1 13 CYS H 1 14 GLY QA . . 4.440 3.965 3.741 4.119 . 0 0 "[ . 1 . 2]" 1
10 1 13 CYS H 1 13 CYS HB3 . . 3.460 2.994 2.852 3.210 . 0 0 "[ . 1 . 2]" 1
11 1 13 CYS H 1 13 CYS HB2 . . 3.780 3.869 3.785 3.971 0.191 16 0 "[ . 1 . 2]" 1
12 1 12 VAL HB 1 13 CYS H . . 3.040 2.653 2.406 3.138 0.098 4 0 "[ . 1 . 2]" 1
13 1 12 VAL MG2 1 13 CYS H . . 3.570 3.723 3.494 3.898 0.328 16 0 "[ . 1 . 2]" 1
14 1 12 VAL MG1 1 13 CYS H . . 3.660 3.742 3.503 4.077 0.417 4 0 "[ . 1 . 2]" 1
15 1 12 VAL H 1 13 CYS H . . 3.120 2.573 2.477 2.666 . 0 0 "[ . 1 . 2]" 1
16 1 11 PRO HD2 1 12 VAL H . . 3.890 3.138 2.958 3.264 . 0 0 "[ . 1 . 2]" 1
17 1 10 CYS QB 1 12 VAL H . . 4.500 3.859 3.574 4.042 . 0 0 "[ . 1 . 2]" 1
18 1 12 VAL H 1 12 VAL HB . . 3.140 2.708 2.618 2.877 . 0 0 "[ . 1 . 2]" 1
19 1 11 PRO HG2 1 12 VAL H . . 3.820 2.707 2.600 2.900 . 0 0 "[ . 1 . 2]" 1
20 1 12 VAL H 1 12 VAL MG2 . . 3.130 2.055 1.941 2.133 . 0 0 "[ . 1 . 2]" 1
21 1 10 CYS H 1 15 VAL H . . 3.830 2.835 2.265 3.436 . 0 0 "[ . 1 . 2]" 1
22 1 10 CYS H 1 14 GLY H . . 4.150 3.614 3.426 4.070 . 0 0 "[ . 1 . 2]" 1
23 1 10 CYS H 1 15 VAL QG . . 3.930 3.399 3.245 3.534 . 0 0 "[ . 1 . 2]" 1
24 1 10 CYS H 1 22 ILE MD . . 3.990 3.115 2.601 3.476 . 0 0 "[ . 1 . 2]" 1
25 1 10 CYS H 1 17 ILE HG12 . . 4.720 4.340 3.739 5.068 0.348 1 0 "[ . 1 . 2]" 1
26 1 10 CYS H 1 17 ILE HG13 . . 5.040 4.900 4.589 5.189 0.149 19 0 "[ . 1 . 2]" 1
27 1 10 CYS H 1 15 VAL HB . . 5.280 5.193 5.014 5.269 . 0 0 "[ . 1 . 2]" 1
28 1 9 ASP HB2 1 10 CYS H . . 3.840 2.864 2.779 3.188 . 0 0 "[ . 1 . 2]" 1
29 1 10 CYS H 1 10 CYS QB . . 3.040 2.276 2.201 2.319 . 0 0 "[ . 1 . 2]" 1
30 1 10 CYS H 1 14 GLY QA . . 4.660 3.286 3.104 3.433 . 0 0 "[ . 1 . 2]" 1
31 1 10 CYS H 1 15 VAL HA . . 4.410 4.296 4.149 4.503 0.093 6 0 "[ . 1 . 2]" 1
32 1 9 ASP H 1 10 CYS H . . 5.190 4.597 4.563 4.617 . 0 0 "[ . 1 . 2]" 1
33 1 8 VAL HB 1 9 ASP H . . 2.970 2.323 2.157 2.512 . 0 0 "[ . 1 . 2]" 1
34 1 9 ASP H 1 9 ASP HB3 . . 3.000 2.677 2.304 2.775 . 0 0 "[ . 1 . 2]" 1
35 1 8 VAL QG 1 9 ASP H . . 3.450 3.137 3.041 3.246 . 0 0 "[ . 1 . 2]" 1
36 1 8 VAL H 1 16 ASN HA . . 4.540 4.250 4.034 4.529 . 0 0 "[ . 1 . 2]" 1
37 1 7 LYS HA 1 8 VAL H . . 3.040 2.228 2.173 2.285 . 0 0 "[ . 1 . 2]" 1
38 1 8 VAL H 1 17 ILE HA . . 4.740 4.858 4.741 5.016 0.276 5 0 "[ . 1 . 2]" 1
39 1 7 LYS QB 1 8 VAL H . . 3.510 2.963 2.856 3.127 . 0 0 "[ . 1 . 2]" 1
40 1 8 VAL H 1 22 ILE HB . . 4.220 3.637 3.456 3.758 . 0 0 "[ . 1 . 2]" 1
41 1 7 LYS HG2 1 8 VAL H . . 4.630 4.389 4.337 4.465 . 0 0 "[ . 1 . 2]" 1
42 1 8 VAL H 1 17 ILE HG13 . . 4.920 4.282 3.894 4.679 . 0 0 "[ . 1 . 2]" 1
43 1 8 VAL H 1 8 VAL QG . . 3.250 2.353 2.280 2.429 . 0 0 "[ . 1 . 2]" 1
44 1 6 THR HB 1 7 LYS H . . 4.060 4.126 4.010 4.427 0.367 13 0 "[ . 1 . 2]" 1
45 1 7 LYS H 1 7 LYS QB . . 3.590 2.615 2.485 2.663 . 0 0 "[ . 1 . 2]" 1
46 1 7 LYS H 1 7 LYS HG3 . . 3.860 2.991 2.629 3.169 . 0 0 "[ . 1 . 2]" 1
47 1 6 THR MG 1 7 LYS H . . 3.700 3.686 2.848 3.950 0.250 9 0 "[ . 1 . 2]" 1
48 1 7 LYS H 1 7 LYS HG2 . . 4.310 3.928 3.689 4.082 . 0 0 "[ . 1 . 2]" 1
49 1 7 LYS H 1 8 VAL QG . . 4.730 3.856 3.591 4.161 . 0 0 "[ . 1 . 2]" 1
50 1 30 LEU H 1 31 SER H . . 3.470 2.420 2.276 2.596 . 0 0 "[ . 1 . 2]" 1
51 1 31 SER H 1 31 SER HB2 . . 4.170 2.855 2.500 3.669 . 0 0 "[ . 1 . 2]" 1
52 1 31 SER H 1 31 SER HB3 . . 4.170 2.626 2.422 3.644 . 0 0 "[ . 1 . 2]" 1
53 1 30 LEU HA 1 31 SER H . . 3.570 3.447 3.392 3.491 . 0 0 "[ . 1 . 2]" 1
54 1 30 LEU HB2 1 31 SER H . . 4.200 3.933 3.709 4.091 . 0 0 "[ . 1 . 2]" 1
55 1 30 LEU HB3 1 31 SER H . . 4.130 3.031 2.812 3.479 . 0 0 "[ . 1 . 2]" 1
56 1 10 CYS QB 1 15 VAL H . . 3.390 2.168 1.877 2.561 . 0 0 "[ . 1 . 2]" 1
57 1 15 VAL H 1 15 VAL HB . . 3.790 3.747 3.658 3.846 0.056 19 0 "[ . 1 . 2]" 1
58 1 15 VAL H 1 15 VAL QG . . 3.040 2.031 1.912 2.167 . 0 0 "[ . 1 . 2]" 1
59 1 15 VAL H 1 17 ILE MD . . 4.900 4.553 3.996 4.985 0.085 11 0 "[ . 1 . 2]" 1
60 1 16 ASN H 1 17 ILE H . . 4.530 4.522 4.458 4.583 0.053 5 0 "[ . 1 . 2]" 1
61 1 10 CYS H 1 16 ASN H . . 5.100 4.725 4.564 4.928 . 0 0 "[ . 1 . 2]" 1
62 1 16 ASN H 1 16 ASN QD . . 4.600 4.501 4.343 4.607 0.007 1 0 "[ . 1 . 2]" 1
63 1 15 VAL QG 1 16 ASN H . . 3.680 3.492 3.387 3.578 . 0 0 "[ . 1 . 2]" 1
64 1 15 VAL HB 1 16 ASN H . . 3.320 3.076 2.828 3.303 . 0 0 "[ . 1 . 2]" 1
65 1 16 ASN H 1 16 ASN QB . . 2.940 2.336 2.292 2.392 . 0 0 "[ . 1 . 2]" 1
66 1 16 ASN QD 1 17 ILE H . . 4.420 3.325 2.352 3.818 . 0 0 "[ . 1 . 2]" 1
67 1 8 VAL QG 1 17 ILE H . . 4.320 4.109 3.988 4.246 . 0 0 "[ . 1 . 2]" 1
68 1 17 ILE H 1 17 ILE HG12 . . 3.430 2.714 2.503 2.964 . 0 0 "[ . 1 . 2]" 1
69 1 17 ILE H 1 17 ILE HG13 . . 3.640 2.847 2.677 2.983 . 0 0 "[ . 1 . 2]" 1
70 1 17 ILE H 1 22 ILE HB . . 4.530 3.706 3.190 4.275 . 0 0 "[ . 1 . 2]" 1
71 1 17 ILE H 1 18 PRO HD2 . . 4.940 4.859 4.793 4.912 . 0 0 "[ . 1 . 2]" 1
72 1 16 ASN QB 1 17 ILE H . . 4.440 3.733 3.639 3.832 . 0 0 "[ . 1 . 2]" 1
73 1 15 VAL HB 1 17 ILE H . . 5.500 5.723 5.554 5.934 0.434 9 0 "[ . 1 . 2]" 1
74 1 7 LYS QB 1 17 ILE H . . 4.270 3.169 3.060 3.309 . 0 0 "[ . 1 . 2]" 1
75 1 18 PRO QB 1 20 SER H . . 4.440 3.022 2.859 3.183 . 0 0 "[ . 1 . 2]" 1
76 1 19 GLU QB 1 20 SER H . . 4.270 3.483 3.410 3.601 . 0 0 "[ . 1 . 2]" 1
77 1 21 HIS H 1 22 ILE H . . 3.090 2.534 2.479 2.600 . 0 0 "[ . 1 . 2]" 1
78 1 19 GLU HA 1 22 ILE H . . 4.090 3.793 3.603 4.000 . 0 0 "[ . 1 . 2]" 1
79 1 7 LYS HA 1 22 ILE H . . 5.500 5.846 5.718 5.928 0.428 8 0 "[ . 1 . 2]" 1
80 1 18 PRO HA 1 22 ILE H . . 4.760 5.090 5.041 5.137 0.377 17 0 "[ . 1 . 2]" 1
81 1 20 SER HA 1 22 ILE H . . 5.060 4.492 4.342 4.645 . 0 0 "[ . 1 . 2]" 1
82 1 21 HIS HB3 1 22 ILE H . . 4.140 3.025 2.846 3.274 . 0 0 "[ . 1 . 2]" 1
83 1 21 HIS HB2 1 22 ILE H . . 4.140 4.014 3.821 4.218 0.078 5 0 "[ . 1 . 2]" 1
84 1 17 ILE MD 1 22 ILE H . . 4.840 3.725 3.503 3.937 . 0 0 "[ . 1 . 2]" 1
85 1 17 ILE MG 1 22 ILE H . . 4.050 4.818 4.693 4.936 0.886 11 20 [********-*+*********] 1
86 1 22 ILE H 1 22 ILE MD . . 3.890 4.247 4.161 4.359 0.469 5 0 "[ . 1 . 2]" 1
87 1 22 ILE H 1 22 ILE MG . . 3.100 2.021 1.958 2.101 . 0 0 "[ . 1 . 2]" 1
88 1 22 ILE H 1 22 ILE HG13 . . 4.570 4.528 4.489 4.574 0.004 20 0 "[ . 1 . 2]" 1
89 1 20 SER HB3 1 21 HIS H . . 4.280 3.913 3.652 4.094 . 0 0 "[ . 1 . 2]" 1
90 1 21 HIS H 1 21 HIS HB2 . . 3.710 2.462 2.310 2.666 . 0 0 "[ . 1 . 2]" 1
91 1 20 SER HB2 1 21 HIS H . . 4.750 3.454 2.473 3.740 . 0 0 "[ . 1 . 2]" 1
92 1 21 HIS H 1 21 HIS HB3 . . 3.710 2.675 2.555 2.768 . 0 0 "[ . 1 . 2]" 1
93 1 18 PRO QB 1 21 HIS H . . 4.520 3.506 3.408 3.594 . 0 0 "[ . 1 . 2]" 1
94 1 21 HIS H 1 22 ILE MG . . 5.050 3.755 3.693 3.843 . 0 0 "[ . 1 . 2]" 1
95 1 17 ILE MG 1 21 HIS H . . 4.770 5.170 4.988 5.250 0.480 10 0 "[ . 1 . 2]" 1
96 1 19 GLU H 1 20 SER H . . 4.000 2.949 2.810 3.040 . 0 0 "[ . 1 . 2]" 1
97 1 7 LYS HA 1 19 GLU H . . 3.600 3.511 3.359 3.611 0.011 12 0 "[ . 1 . 2]" 1
98 1 18 PRO HA 1 19 GLU H . . 2.790 2.319 2.240 2.395 . 0 0 "[ . 1 . 2]" 1
99 1 6 THR HA 1 19 GLU H . . 5.150 5.164 5.046 5.312 0.162 8 0 "[ . 1 . 2]" 1
100 1 18 PRO QB 1 19 GLU H . . 3.510 2.669 2.582 2.778 . 0 0 "[ . 1 . 2]" 1
101 1 19 GLU H 1 19 GLU QB . . 3.180 2.467 2.428 2.511 . 0 0 "[ . 1 . 2]" 1
102 1 8 VAL QG 1 19 GLU H . . 4.150 4.694 4.558 4.750 0.600 4 17 "[* *+****-*** *.*****]" 1
103 1 5 VAL MG2 1 19 GLU H . . 4.240 2.591 2.213 2.847 . 0 0 "[ . 1 . 2]" 1
104 1 7 LYS HG2 1 19 GLU H . . 4.710 4.096 3.886 4.257 . 0 0 "[ . 1 . 2]" 1
105 1 6 THR MG 1 19 GLU H . . 4.750 3.585 3.382 4.543 . 0 0 "[ . 1 . 2]" 1
106 1 18 PRO QG 1 19 GLU H . . 4.780 4.304 4.226 4.413 . 0 0 "[ . 1 . 2]" 1
107 1 7 LYS HG3 1 19 GLU H . . 5.280 4.928 4.747 5.155 . 0 0 "[ . 1 . 2]" 1
108 1 23 ASN H 1 24 LYS H . . 3.580 2.777 2.600 2.917 . 0 0 "[ . 1 . 2]" 1
109 1 21 HIS HA 1 24 LYS H . . 4.380 3.675 3.350 3.905 . 0 0 "[ . 1 . 2]" 1
110 1 24 LYS H 1 24 LYS QD . . 4.670 4.448 4.353 4.520 . 0 0 "[ . 1 . 2]" 1
111 1 24 LYS H 1 24 LYS HB2 . . 3.110 2.390 2.226 2.478 . 0 0 "[ . 1 . 2]" 1
112 1 24 LYS H 1 24 LYS HB3 . . 3.270 2.650 2.499 2.826 . 0 0 "[ . 1 . 2]" 1
113 1 24 LYS H 1 24 LYS QG . . 4.070 4.004 3.910 4.056 . 0 0 "[ . 1 . 2]" 1
114 1 22 ILE MG 1 24 LYS H . . 4.650 4.443 4.287 4.597 . 0 0 "[ . 1 . 2]" 1
115 1 23 ASN HB3 1 24 LYS H . . 3.490 3.157 2.465 3.506 0.016 13 0 "[ . 1 . 2]" 1
116 1 23 ASN HB2 1 24 LYS H . . 3.870 2.971 2.459 3.846 . 0 0 "[ . 1 . 2]" 1
117 1 24 LYS H 1 25 HIS QB . . 4.980 4.533 4.474 4.629 . 0 0 "[ . 1 . 2]" 1
118 1 24 LYS H 1 24 LYS QE . . 5.500 6.046 5.951 6.135 0.635 13 16 "[***** *-** *+** * **]" 1
119 1 22 ILE HA 1 24 LYS H . . 4.580 4.423 4.301 4.538 . 0 0 "[ . 1 . 2]" 1
120 1 25 HIS H 1 26 LEU H . . 3.510 2.711 2.603 2.788 . 0 0 "[ . 1 . 2]" 1
121 1 24 LYS H 1 25 HIS H . . 3.200 2.727 2.685 2.792 . 0 0 "[ . 1 . 2]" 1
122 1 23 ASN HA 1 25 HIS H . . 4.730 4.530 4.386 4.729 . 0 0 "[ . 1 . 2]" 1
123 1 22 ILE HA 1 25 HIS H . . 3.890 3.097 2.943 3.238 . 0 0 "[ . 1 . 2]" 1
124 1 25 HIS H 1 26 LEU HA . . 5.380 5.321 5.236 5.385 0.005 1 0 "[ . 1 . 2]" 1
125 1 25 HIS H 1 25 HIS QB . . 3.110 2.216 2.178 2.270 . 0 0 "[ . 1 . 2]" 1
126 1 24 LYS QE 1 25 HIS H . . 5.030 5.580 5.165 5.851 0.821 16 11 "[ * .****1*-* .+* *2]" 1
127 1 23 ASN HB3 1 25 HIS H . . 5.500 5.451 4.996 5.726 0.226 8 0 "[ . 1 . 2]" 1
128 1 23 ASN HB2 1 25 HIS H . . 5.500 5.318 4.976 5.904 0.404 6 0 "[ . 1 . 2]" 1
129 1 25 HIS H 1 27 ASP QB . . 5.500 4.613 4.411 4.771 . 0 0 "[ . 1 . 2]" 1
130 1 25 HIS H 1 26 LEU HG . . 4.980 4.634 4.401 4.844 . 0 0 "[ . 1 . 2]" 1
131 1 24 LYS HB3 1 25 HIS H . . 3.320 2.715 2.604 2.862 . 0 0 "[ . 1 . 2]" 1
132 1 24 LYS QD 1 25 HIS H . . 4.790 3.609 3.244 3.880 . 0 0 "[ . 1 . 2]" 1
133 1 24 LYS QG 1 25 HIS H . . 4.550 4.448 4.241 4.563 0.013 9 0 "[ . 1 . 2]" 1
134 1 22 ILE MD 1 25 HIS H . . 4.710 4.060 3.886 4.344 . 0 0 "[ . 1 . 2]" 1
135 1 17 ILE MG 1 25 HIS H . . 5.500 5.887 5.105 6.214 0.714 11 10 "[** *. - 1+ *** **]" 1
136 1 17 ILE MD 1 25 HIS H . . 4.680 3.732 3.613 3.840 . 0 0 "[ . 1 . 2]" 1
137 1 27 ASP H 1 28 SER H . . 3.330 2.785 2.684 2.878 . 0 0 "[ . 1 . 2]" 1
138 1 27 ASP H 1 27 ASP QB . . 2.980 2.226 2.201 2.259 . 0 0 "[ . 1 . 2]" 1
139 1 26 LEU HG 1 27 ASP H . . 3.600 2.361 2.173 2.553 . 0 0 "[ . 1 . 2]" 1
140 1 26 LEU QB 1 27 ASP H . . 3.960 3.580 3.530 3.634 . 0 0 "[ . 1 . 2]" 1
141 1 26 LEU QD 1 27 ASP H . . 4.520 2.936 2.733 3.135 . 0 0 "[ . 1 . 2]" 1
142 1 27 ASP H 1 28 SER HA . . 5.360 5.410 5.310 5.484 0.124 18 0 "[ . 1 . 2]" 1
143 1 28 SER H 1 31 SER H . . 5.180 4.895 4.653 5.709 0.529 6 1 "[ .+ 1 . 2]" 1
144 1 27 ASP QB 1 28 SER H . . 3.840 2.225 2.160 2.380 . 0 0 "[ . 1 . 2]" 1
145 1 28 SER H 1 28 SER HB2 . . 3.650 2.553 2.489 2.619 . 0 0 "[ . 1 . 2]" 1
146 1 28 SER H 1 28 SER HB3 . . 3.930 2.469 2.422 2.532 . 0 0 "[ . 1 . 2]" 1
147 1 28 SER H 1 29 CYS QB . . 4.590 4.430 4.323 4.533 . 0 0 "[ . 1 . 2]" 1
148 1 29 CYS H 1 29 CYS QB . . 3.870 2.254 2.221 2.303 . 0 0 "[ . 1 . 2]" 1
149 1 29 CYS QB 1 30 LEU H . . 4.520 2.804 2.549 2.962 . 0 0 "[ . 1 . 2]" 1
150 1 30 LEU H 1 30 LEU HB2 . . 3.770 2.408 2.184 2.556 . 0 0 "[ . 1 . 2]" 1
151 1 29 CYS H 1 31 SER H . . 3.970 3.747 3.533 4.317 0.347 6 0 "[ . 1 . 2]" 1
152 1 22 ILE H 1 24 LYS H . . 4.740 4.104 3.834 4.335 . 0 0 "[ . 1 . 2]" 1
153 1 17 ILE HB 1 22 ILE H . . 3.230 3.459 3.294 3.561 0.331 11 0 "[ . 1 . 2]" 1
154 1 8 VAL H 1 9 ASP H . . 4.480 4.426 4.402 4.449 . 0 0 "[ . 1 . 2]" 1
155 1 8 VAL H 1 9 ASP HA . . 5.100 4.971 4.835 5.071 . 0 0 "[ . 1 . 2]" 1
156 1 8 VAL H 1 16 ASN QD . . 4.930 3.507 2.960 3.837 . 0 0 "[ . 1 . 2]" 1
157 1 8 VAL H 1 19 GLU HA . . 4.870 4.657 4.509 4.829 . 0 0 "[ . 1 . 2]" 1
158 1 8 VAL H 1 22 ILE HG12 . . 4.620 3.971 3.272 4.577 . 0 0 "[ . 1 . 2]" 1
159 1 8 VAL H 1 22 ILE MD . . 4.410 4.470 3.939 4.789 0.379 10 0 "[ . 1 . 2]" 1
160 1 9 ASP H 1 17 ILE H . . 5.330 5.044 4.858 5.335 0.005 1 0 "[ . 1 . 2]" 1
161 1 9 ASP H 1 16 ASN QD . . 4.650 3.356 3.042 3.736 . 0 0 "[ . 1 . 2]" 1
162 1 9 ASP H 1 22 ILE MD . . 4.700 4.689 4.451 4.866 0.166 10 0 "[ . 1 . 2]" 1
163 1 11 PRO HG3 1 12 VAL H . . 4.540 4.217 4.118 4.388 . 0 0 "[ . 1 . 2]" 1
164 1 13 CYS H 1 15 VAL H . . 3.840 4.193 3.945 4.375 0.535 19 2 "[ . -1 . +2]" 1
165 1 9 ASP HA 1 15 VAL H . . 4.920 4.546 4.002 5.061 0.141 13 0 "[ . 1 . 2]" 1
166 1 7 LYS HA 1 17 ILE H . . 4.520 4.101 4.018 4.223 . 0 0 "[ . 1 . 2]" 1
167 1 17 ILE H 1 22 ILE MD . . 4.170 3.847 2.839 4.712 0.542 5 1 "[ + 1 . 2]" 1
168 1 18 PRO QG 1 20 SER H . . 5.130 4.038 3.721 4.255 . 0 0 "[ . 1 . 2]" 1
169 1 18 PRO QG 1 21 HIS H . . 4.200 2.884 2.672 3.164 . 0 0 "[ . 1 . 2]" 1
170 1 19 GLU H 1 21 HIS H . . 5.030 4.508 4.334 4.628 . 0 0 "[ . 1 . 2]" 1
171 1 18 PRO QB 1 22 ILE H . . 5.130 4.862 4.760 4.958 . 0 0 "[ . 1 . 2]" 1
172 1 20 SER H 1 22 ILE H . . 4.220 4.026 3.921 4.133 . 0 0 "[ . 1 . 2]" 1
173 1 24 LYS H 1 27 ASP H . . 5.500 4.944 4.875 4.990 . 0 0 "[ . 1 . 2]" 1
174 1 22 ILE MG 1 25 HIS H . . 5.130 4.944 4.802 5.100 . 0 0 "[ . 1 . 2]" 1
175 1 27 ASP H 1 29 CYS H . . 4.050 3.834 3.652 3.929 . 0 0 "[ . 1 . 2]" 1
176 1 25 HIS H 1 27 ASP H . . 3.810 4.005 3.875 4.099 0.289 20 0 "[ . 1 . 2]" 1
177 1 28 SER H 1 30 LEU H . . 4.630 4.176 3.986 4.441 . 0 0 "[ . 1 . 2]" 1
178 1 28 SER H 1 29 CYS H . . 3.360 2.573 2.465 2.734 . 0 0 "[ . 1 . 2]" 1
179 1 5 VAL MG2 1 6 THR H . . 3.960 2.815 2.413 3.389 . 0 0 "[ . 1 . 2]" 1
180 1 5 VAL HB 1 6 THR H . . 4.240 4.261 4.075 4.436 0.196 13 0 "[ . 1 . 2]" 1
181 1 26 LEU HA 1 29 CYS H . . 3.910 3.376 3.227 3.485 . 0 0 "[ . 1 . 2]" 1
182 1 11 PRO HD2 1 26 LEU HA . . 3.670 3.910 3.598 4.121 0.451 1 0 "[ . 1 . 2]" 1
183 1 26 LEU HA 1 29 CYS QB . . 2.940 2.073 1.920 2.154 . 0 0 "[ . 1 . 2]" 1
184 1 26 LEU H 1 26 LEU QB . . 3.680 2.407 2.337 2.513 . 0 0 "[ . 1 . 2]" 1
185 1 23 ASN HA 1 26 LEU QB . . 4.320 4.481 4.056 4.789 0.469 12 0 "[ . 1 . 2]" 1
186 1 22 ILE MD 1 26 LEU QB . . 3.690 2.599 2.183 3.358 . 0 0 "[ . 1 . 2]" 1
187 1 12 VAL MG2 1 26 LEU QB . . 3.920 2.663 2.480 2.860 . 0 0 "[ . 1 . 2]" 1
188 1 26 LEU QB 1 29 CYS QB . . 5.070 3.767 3.608 3.844 . 0 0 "[ . 1 . 2]" 1
189 1 26 LEU QB 1 27 ASP QB . . 5.500 4.945 4.898 5.019 . 0 0 "[ . 1 . 2]" 1
190 1 12 VAL MG2 1 26 LEU HG . . 4.710 5.080 4.899 5.217 0.507 17 1 "[ . 1 . + 2]" 1
191 1 22 ILE HG13 1 26 LEU HG . . 4.490 4.225 3.920 4.970 0.480 11 0 "[ . 1 . 2]" 1
192 1 26 LEU H 1 26 LEU HG . . 3.790 2.657 2.359 2.913 . 0 0 "[ . 1 . 2]" 1
193 1 25 HIS QB 1 26 LEU HG . . 5.200 4.888 4.525 5.188 . 0 0 "[ . 1 . 2]" 1
194 1 26 LEU H 1 26 LEU QD . . 4.440 3.124 3.042 3.211 . 0 0 "[ . 1 . 2]" 1
195 1 26 LEU HA 1 26 LEU QD . . 3.490 3.435 3.411 3.457 . 0 0 "[ . 1 . 2]" 1
196 1 26 LEU QD 1 27 ASP HA . . 3.400 2.819 2.666 3.019 . 0 0 "[ . 1 . 2]" 1
197 1 23 ASN HA 1 26 LEU QD . . 3.220 2.478 2.133 2.857 . 0 0 "[ . 1 . 2]" 1
198 1 25 HIS HA 1 27 ASP H . . 4.410 4.422 4.320 4.490 0.080 7 0 "[ . 1 . 2]" 1
199 1 24 LYS QG 1 25 HIS HA . . 4.930 4.852 4.546 5.065 0.135 19 0 "[ . 1 . 2]" 1
200 1 25 HIS QB 1 26 LEU H . . 4.240 2.551 2.442 2.694 . 0 0 "[ . 1 . 2]" 1
201 1 15 VAL QG 1 25 HIS QB . . 4.350 3.485 3.110 3.738 . 0 0 "[ . 1 . 2]" 1
202 1 22 ILE MD 1 25 HIS QB . . 3.790 2.645 2.272 2.938 . 0 0 "[ . 1 . 2]" 1
203 1 17 ILE HB 1 25 HIS QB . . 5.500 4.536 4.057 4.733 . 0 0 "[ . 1 . 2]" 1
204 1 24 LYS HB3 1 25 HIS QB . . 5.500 4.074 3.870 4.213 . 0 0 "[ . 1 . 2]" 1
205 1 25 HIS QB 1 26 LEU QB . . 5.500 3.660 3.541 3.760 . 0 0 "[ . 1 . 2]" 1
206 1 24 LYS HA 1 24 LYS HB2 . . 2.580 2.558 2.490 2.643 0.063 16 0 "[ . 1 . 2]" 1
207 1 24 LYS HA 1 24 LYS QG . . 3.060 2.466 2.397 2.561 . 0 0 "[ . 1 . 2]" 1
208 1 24 LYS HA 1 24 LYS QD . . 3.500 3.225 2.659 3.516 0.016 2 0 "[ . 1 . 2]" 1
209 1 24 LYS HA 1 27 ASP H . . 4.070 3.906 3.765 4.053 . 0 0 "[ . 1 . 2]" 1
210 1 24 LYS HA 1 27 ASP QB . . 3.180 2.716 2.615 2.880 . 0 0 "[ . 1 . 2]" 1
211 1 23 ASN HB3 1 24 LYS QG . . 5.500 5.846 5.408 6.095 0.595 10 9 "[* -*. * + **. * *]" 1
212 1 24 LYS QD 1 25 HIS HA . . 4.670 2.957 2.569 3.329 . 0 0 "[ . 1 . 2]" 1
213 1 23 ASN HA 1 26 LEU H . . 4.320 4.130 3.779 4.365 0.045 9 0 "[ . 1 . 2]" 1
214 1 23 ASN HA 1 27 ASP H . . 4.480 4.317 4.150 4.456 . 0 0 "[ . 1 . 2]" 1
215 1 22 ILE MG 1 23 ASN HA . . 3.390 3.472 3.323 3.552 0.162 4 0 "[ . 1 . 2]" 1
216 1 22 ILE HG13 1 23 ASN HA . . 4.030 3.781 3.479 4.090 0.060 11 0 "[ . 1 . 2]" 1
217 1 23 ASN HA 1 26 LEU HG . . 3.280 2.919 2.403 3.255 . 0 0 "[ . 1 . 2]" 1
218 1 23 ASN H 1 23 ASN HB2 . . 3.410 2.463 2.290 2.628 . 0 0 "[ . 1 . 2]" 1
219 1 22 ILE HA 1 26 LEU H . . 3.990 3.618 3.418 3.890 . 0 0 "[ . 1 . 2]" 1
220 1 22 ILE HA 1 25 HIS QB . . 2.890 2.466 2.242 2.673 . 0 0 "[ . 1 . 2]" 1
221 1 17 ILE MD 1 22 ILE HA . . 3.080 2.146 1.918 2.388 . 0 0 "[ . 1 . 2]" 1
222 1 22 ILE HA 1 22 ILE MD . . 2.670 2.089 1.983 2.216 . 0 0 "[ . 1 . 2]" 1
223 1 22 ILE HA 1 22 ILE MG . . 3.340 3.258 3.245 3.273 . 0 0 "[ . 1 . 2]" 1
224 1 22 ILE HA 1 22 ILE HG13 . . 3.130 3.191 3.037 3.290 0.160 10 0 "[ . 1 . 2]" 1
225 1 22 ILE HA 1 22 ILE HB . . 2.710 2.433 2.392 2.479 . 0 0 "[ . 1 . 2]" 1
226 1 22 ILE HA 1 26 LEU QB . . 3.900 4.445 4.134 4.797 0.897 15 9 "[** . 1* **+ - **]" 1
227 1 22 ILE HB 1 23 ASN H . . 4.520 4.043 3.948 4.109 . 0 0 "[ . 1 . 2]" 1
228 1 21 HIS H 1 22 ILE HB . . 5.500 5.056 4.812 5.244 . 0 0 "[ . 1 . 2]" 1
229 1 22 ILE H 1 22 ILE HB . . 3.390 2.780 2.666 2.935 . 0 0 "[ . 1 . 2]" 1
230 1 22 ILE HB 1 25 HIS QB . . 4.990 4.478 4.340 4.612 . 0 0 "[ . 1 . 2]" 1
231 1 17 ILE MD 1 22 ILE HB . . 4.720 3.206 2.988 3.533 . 0 0 "[ . 1 . 2]" 1
232 1 8 VAL QG 1 22 ILE HB . . 3.420 3.134 2.804 3.462 0.042 19 0 "[ . 1 . 2]" 1
233 1 22 ILE H 1 22 ILE HG12 . . 4.710 4.807 4.768 4.856 0.146 5 0 "[ . 1 . 2]" 1
234 1 19 GLU HA 1 22 ILE HG12 . . 5.150 5.020 4.888 5.122 . 0 0 "[ . 1 . 2]" 1
235 1 19 GLU HA 1 22 ILE HG13 . . 5.500 5.312 5.143 5.562 0.062 14 0 "[ . 1 . 2]" 1
236 1 17 ILE MD 1 22 ILE HG12 . . 5.500 4.444 4.133 4.762 . 0 0 "[ . 1 . 2]" 1
237 1 22 ILE MG 1 23 ASN H . . 3.560 2.136 2.046 2.219 . 0 0 "[ . 1 . 2]" 1
238 1 22 ILE MG 1 23 ASN HB2 . . 4.460 3.776 3.283 4.264 . 0 0 "[ . 1 . 2]" 1
239 1 11 PRO HD2 1 22 ILE MD . . 3.700 2.796 2.134 3.729 0.029 1 0 "[ . 1 . 2]" 1
240 1 22 ILE HB 1 22 ILE MD . . 2.970 2.450 2.350 2.504 . 0 0 "[ . 1 . 2]" 1
241 1 21 HIS HA 1 24 LYS HB3 . . 3.470 2.960 2.476 3.403 . 0 0 "[ . 1 . 2]" 1
242 1 18 PRO QG 1 21 HIS HB2 . . 4.960 2.602 2.198 3.218 . 0 0 "[ . 1 . 2]" 1
243 1 20 SER HA 1 20 SER HB2 . . 2.710 2.574 2.505 3.059 0.349 6 0 "[ . 1 . 2]" 1
244 1 20 SER HA 1 20 SER HB3 . . 2.510 2.422 2.371 2.462 . 0 0 "[ . 1 . 2]" 1
245 1 20 SER HA 1 22 ILE MG . . 4.310 4.464 4.299 4.665 0.355 11 0 "[ . 1 . 2]" 1
246 1 19 GLU HA 1 19 GLU HG3 . . 3.920 3.863 3.828 3.897 . 0 0 "[ . 1 . 2]" 1
247 1 19 GLU HA 1 22 ILE HB . . 3.970 4.254 4.099 4.398 0.428 7 0 "[ . 1 . 2]" 1
248 1 19 GLU HA 1 22 ILE MG . . 3.190 1.963 1.838 2.100 . 0 0 "[ . 1 . 2]" 1
249 1 8 VAL QG 1 19 GLU HA . . 2.880 3.413 3.198 3.481 0.601 16 14 "[ ******-1** .+****]" 1
250 1 7 LYS HA 1 19 GLU QB . . 5.400 4.511 4.430 4.619 . 0 0 "[ . 1 . 2]" 1
251 1 8 VAL QG 1 19 GLU QB . . 4.660 3.994 3.752 4.111 . 0 0 "[ . 1 . 2]" 1
252 1 6 THR MG 1 19 GLU QB . . 4.370 2.158 1.885 3.472 . 0 0 "[ . 1 . 2]" 1
253 1 19 GLU H 1 19 GLU HG2 . . 4.590 2.047 1.951 2.163 . 0 0 "[ . 1 . 2]" 1
254 1 19 GLU H 1 19 GLU HG3 . . 4.590 3.350 3.212 3.502 . 0 0 "[ . 1 . 2]" 1
255 1 7 LYS H 1 18 PRO HA . . 4.520 4.380 4.102 4.540 0.020 18 0 "[ . 1 . 2]" 1
256 1 7 LYS HA 1 18 PRO HA . . 2.710 2.221 2.136 2.300 . 0 0 "[ . 1 . 2]" 1
257 1 7 LYS QB 1 18 PRO HA . . 3.360 3.433 3.398 3.487 0.127 15 0 "[ . 1 . 2]" 1
258 1 7 LYS HG3 1 18 PRO HA . . 3.380 3.251 3.137 3.377 . 0 0 "[ . 1 . 2]" 1
259 1 8 VAL QG 1 18 PRO HA . . 4.510 4.689 4.570 4.773 0.263 2 0 "[ . 1 . 2]" 1
260 1 7 LYS HG2 1 18 PRO HA . . 2.930 1.927 1.794 2.024 . 0 0 "[ . 1 . 2]" 1
261 1 5 VAL MG2 1 18 PRO QB . . 3.610 2.159 1.985 2.540 . 0 0 "[ . 1 . 2]" 1
262 1 17 ILE HA 1 18 PRO QG . . 4.640 4.116 4.049 4.265 . 0 0 "[ . 1 . 2]" 1
263 1 7 LYS HE2 1 18 PRO QG . . 5.500 3.210 3.044 3.376 . 0 0 "[ . 1 . 2]" 1
264 1 7 LYS HE3 1 18 PRO QG . . 5.500 4.519 4.451 4.587 . 0 0 "[ . 1 . 2]" 1
265 1 18 PRO QG 1 21 HIS HB3 . . 4.960 2.720 2.462 3.004 . 0 0 "[ . 1 . 2]" 1
266 1 17 ILE MG 1 18 PRO QG . . 4.660 3.790 3.418 4.117 . 0 0 "[ . 1 . 2]" 1
267 1 5 VAL MG2 1 18 PRO QG . . 4.240 3.659 3.510 4.093 . 0 0 "[ . 1 . 2]" 1
268 1 17 ILE H 1 18 PRO HD3 . . 5.100 5.014 4.812 5.151 0.051 14 0 "[ . 1 . 2]" 1
269 1 18 PRO HD2 1 21 HIS HB3 . . 4.320 2.787 2.265 3.482 . 0 0 "[ . 1 . 2]" 1
270 1 17 ILE HB 1 18 PRO HD2 . . 3.160 2.512 2.333 2.648 . 0 0 "[ . 1 . 2]" 1
271 1 17 ILE MG 1 18 PRO HD2 . . 3.460 2.214 1.864 2.538 . 0 0 "[ . 1 . 2]" 1
272 1 7 LYS HG2 1 18 PRO HD2 . . 5.190 4.273 4.044 4.623 . 0 0 "[ . 1 . 2]" 1
273 1 7 LYS HG2 1 18 PRO HD3 . . 3.920 2.954 2.630 3.414 . 0 0 "[ . 1 . 2]" 1
274 1 17 ILE MG 1 18 PRO HD3 . . 3.480 3.390 2.937 3.568 0.088 4 0 "[ . 1 . 2]" 1
275 1 17 ILE MD 1 18 PRO HD3 . . 5.280 5.736 5.492 5.843 0.563 9 6 "[ * *+1 . ** -]" 1
276 1 17 ILE HA 1 18 PRO HD2 . . 2.940 2.403 2.287 2.644 . 0 0 "[ . 1 . 2]" 1
277 1 17 ILE HA 1 18 PRO HD3 . . 2.590 2.585 2.426 2.710 0.120 20 0 "[ . 1 . 2]" 1
278 1 17 ILE HA 1 17 ILE HB . . 2.960 2.745 2.670 2.821 . 0 0 "[ . 1 . 2]" 1
279 1 7 LYS QB 1 17 ILE HA . . 4.300 3.668 3.402 4.078 . 0 0 "[ . 1 . 2]" 1
280 1 7 LYS HD3 1 17 ILE HA . . 4.600 3.403 2.830 3.960 . 0 0 "[ . 1 . 2]" 1
281 1 17 ILE HA 1 17 ILE MG . . 2.840 2.241 2.223 2.261 . 0 0 "[ . 1 . 2]" 1
282 1 17 ILE HA 1 17 ILE HG12 . . 3.530 3.534 3.458 3.605 0.075 4 0 "[ . 1 . 2]" 1
283 1 17 ILE HA 1 17 ILE MD . . 4.220 4.206 4.182 4.225 0.005 10 0 "[ . 1 . 2]" 1
284 1 17 ILE H 1 17 ILE HB . . 3.850 3.784 3.695 3.838 . 0 0 "[ . 1 . 2]" 1
285 1 8 VAL H 1 17 ILE HB . . 4.940 5.230 5.102 5.343 0.403 11 0 "[ . 1 . 2]" 1
286 1 16 ASN HA 1 17 ILE HB . . 5.500 5.540 5.486 5.633 0.133 19 0 "[ . 1 . 2]" 1
287 1 17 ILE HB 1 18 PRO HD3 . . 3.740 3.949 3.783 4.089 0.349 20 0 "[ . 1 . 2]" 1
288 1 17 ILE HB 1 22 ILE MD . . 3.900 4.289 3.809 5.003 1.103 4 9 "[ *+-*** * .* * 2]" 1
289 1 17 ILE HG13 1 22 ILE HB . . 3.710 2.020 1.867 2.325 . 0 0 "[ . 1 . 2]" 1
290 1 16 ASN QB 1 17 ILE HG12 . . 5.020 4.771 4.696 4.869 . 0 0 "[ . 1 . 2]" 1
291 1 17 ILE HG12 1 18 PRO HD2 . . 5.160 4.980 4.839 5.124 . 0 0 "[ . 1 . 2]" 1
292 1 17 ILE HG13 1 18 PRO HD2 . . 5.470 4.737 4.618 4.823 . 0 0 "[ . 1 . 2]" 1
293 1 17 ILE HG12 1 18 PRO HD3 . . 5.500 5.923 5.808 6.017 0.517 20 1 "[ . 1 . +]" 1
294 1 17 ILE HG13 1 18 PRO HD3 . . 5.500 5.781 5.650 5.925 0.425 20 0 "[ . 1 . 2]" 1
295 1 16 ASN HA 1 17 ILE HG13 . . 5.500 4.123 3.919 4.358 . 0 0 "[ . 1 . 2]" 1
296 1 17 ILE H 1 17 ILE MG . . 4.110 3.781 3.655 3.899 . 0 0 "[ . 1 . 2]" 1
297 1 17 ILE MG 1 22 ILE HA . . 4.270 4.464 4.045 4.694 0.424 11 0 "[ . 1 . 2]" 1
298 1 17 ILE MG 1 21 HIS HB3 . . 4.010 2.996 2.904 3.137 . 0 0 "[ . 1 . 2]" 1
299 1 17 ILE MG 1 25 HIS QB . . 4.300 4.106 3.240 4.558 0.258 11 0 "[ . 1 . 2]" 1
300 1 15 VAL HB 1 17 ILE MG . . 4.190 3.632 3.048 4.231 0.041 11 0 "[ . 1 . 2]" 1
301 1 15 VAL QG 1 17 ILE MD . . 2.560 2.032 1.908 2.207 . 0 0 "[ . 1 . 2]" 1
302 1 17 ILE MD 1 17 ILE MG . . 2.780 1.990 1.950 2.014 . 0 0 "[ . 1 . 2]" 1
303 1 17 ILE HB 1 17 ILE MD . . 3.300 2.526 2.472 2.594 . 0 0 "[ . 1 . 2]" 1
304 1 15 VAL HB 1 17 ILE MD . . 4.070 3.802 3.609 4.102 0.032 5 0 "[ . 1 . 2]" 1
305 1 10 CYS QB 1 17 ILE MD . . 4.060 2.561 1.771 3.472 . 0 0 "[ . 1 . 2]" 1
306 1 17 ILE MD 1 25 HIS QB . . 3.480 2.036 1.924 2.116 . 0 0 "[ . 1 . 2]" 1
307 1 16 ASN HA 1 17 ILE H . . 2.610 2.180 2.135 2.215 . 0 0 "[ . 1 . 2]" 1
308 1 10 CYS H 1 16 ASN HA . . 4.000 3.820 3.604 4.008 0.008 5 0 "[ . 1 . 2]" 1
309 1 16 ASN HA 1 16 ASN QD . . 3.200 2.584 1.924 2.862 . 0 0 "[ . 1 . 2]" 1
310 1 16 ASN HA 1 17 ILE MD . . 5.020 4.675 4.392 4.946 . 0 0 "[ . 1 . 2]" 1
311 1 16 ASN HA 1 17 ILE HG12 . . 3.620 3.288 2.987 3.616 . 0 0 "[ . 1 . 2]" 1
312 1 16 ASN HA 1 22 ILE MD . . 4.550 4.210 3.271 5.036 0.486 5 0 "[ . 1 . 2]" 1
313 1 15 VAL QG 1 16 ASN HA . . 4.320 4.248 4.064 4.349 0.029 4 0 "[ . 1 . 2]" 1
314 1 7 LYS QB 1 16 ASN HA . . 4.500 4.394 4.246 4.538 0.038 12 0 "[ . 1 . 2]" 1
315 1 9 ASP HB3 1 16 ASN HA . . 4.630 4.055 3.639 4.547 . 0 0 "[ . 1 . 2]" 1
316 1 9 ASP HB2 1 16 ASN HA . . 5.010 4.408 3.812 4.853 . 0 0 "[ . 1 . 2]" 1
317 1 15 VAL HB 1 16 ASN HA . . 4.680 4.899 4.751 5.006 0.326 7 0 "[ . 1 . 2]" 1
318 1 10 CYS QB 1 16 ASN HA . . 5.500 4.826 4.629 5.016 . 0 0 "[ . 1 . 2]" 1
319 1 15 VAL HA 1 16 ASN HA . . 4.380 4.430 4.386 4.454 0.074 8 0 "[ . 1 . 2]" 1
320 1 15 VAL HA 1 16 ASN QB . . 4.210 4.117 4.046 4.185 . 0 0 "[ . 1 . 2]" 1
321 1 7 LYS HD3 1 16 ASN QB . . 4.500 4.784 4.703 4.853 0.353 17 0 "[ . 1 . 2]" 1
322 1 15 VAL QG 1 16 ASN QB . . 5.430 4.662 4.597 4.730 . 0 0 "[ . 1 . 2]" 1
323 1 16 ASN QB 1 17 ILE MG . . 4.950 4.757 4.613 4.902 . 0 0 "[ . 1 . 2]" 1
324 1 15 VAL HA 1 16 ASN H . . 2.400 2.212 2.157 2.288 . 0 0 "[ . 1 . 2]" 1
325 1 15 VAL HA 1 15 VAL HB . . 2.690 2.500 2.460 2.541 . 0 0 "[ . 1 . 2]" 1
326 1 15 VAL HA 1 15 VAL QG . . 2.650 2.312 2.279 2.345 . 0 0 "[ . 1 . 2]" 1
327 1 12 VAL MG2 1 30 LEU H . . 3.670 2.949 2.450 3.344 . 0 0 "[ . 1 . 2]" 1
328 1 13 CYS HA 1 14 GLY QA . . 5.310 4.199 4.023 4.266 . 0 0 "[ . 1 . 2]" 1
329 1 10 CYS QB 1 14 GLY QA . . 4.850 3.415 3.226 3.557 . 0 0 "[ . 1 . 2]" 1
330 1 9 ASP HB2 1 14 GLY QA . . 3.980 3.164 2.887 3.525 . 0 0 "[ . 1 . 2]" 1
331 1 14 GLY QA 1 15 VAL QG . . 4.380 3.667 3.556 3.806 . 0 0 "[ . 1 . 2]" 1
332 1 13 CYS HA 1 13 CYS HB3 . . 2.670 2.529 2.495 2.573 . 0 0 "[ . 1 . 2]" 1
333 1 13 CYS HA 1 13 CYS HB2 . . 2.750 2.390 2.353 2.416 . 0 0 "[ . 1 . 2]" 1
334 1 13 CYS HB3 1 14 GLY H . . 5.090 4.127 3.980 4.385 . 0 0 "[ . 1 . 2]" 1
335 1 13 CYS HB3 1 15 VAL H . . 5.060 5.284 4.973 5.640 0.580 4 4 "[ +. -* . *2]" 1
336 1 13 CYS HB2 1 15 VAL H . . 5.040 4.816 4.306 5.295 0.255 19 0 "[ . 1 . 2]" 1
337 1 13 CYS HB3 1 15 VAL QG . . 4.170 4.240 4.103 4.410 0.240 8 0 "[ . 1 . 2]" 1
338 1 12 VAL MG1 1 13 CYS HB3 . . 4.250 3.612 3.138 3.962 . 0 0 "[ . 1 . 2]" 1
339 1 13 CYS HB2 1 15 VAL QG . . 4.200 3.641 3.454 3.803 . 0 0 "[ . 1 . 2]" 1
340 1 12 VAL HA 1 14 GLY H . . 5.310 5.232 4.784 5.527 0.217 8 0 "[ . 1 . 2]" 1
341 1 12 VAL HA 1 29 CYS QB . . 4.880 4.575 4.529 4.688 . 0 0 "[ . 1 . 2]" 1
342 1 11 PRO HB2 1 12 VAL HA . . 4.780 4.208 4.070 4.392 . 0 0 "[ . 1 . 2]" 1
343 1 11 PRO HG2 1 12 VAL HA . . 5.200 4.582 4.458 4.717 . 0 0 "[ . 1 . 2]" 1
344 1 12 VAL HA 1 12 VAL MG1 . . 2.660 2.347 2.281 2.393 . 0 0 "[ . 1 . 2]" 1
345 1 12 VAL HA 1 12 VAL MG2 . . 2.710 2.606 2.551 2.712 0.002 1 0 "[ . 1 . 2]" 1
346 1 12 VAL HB 1 14 GLY H . . 4.900 4.745 4.527 5.069 0.169 16 0 "[ . 1 . 2]" 1
347 1 12 VAL HB 1 26 LEU HA . . 4.510 3.633 3.510 3.805 . 0 0 "[ . 1 . 2]" 1
348 1 11 PRO HD2 1 12 VAL MG2 . . 3.670 3.536 3.260 3.784 0.114 17 0 "[ . 1 . 2]" 1
349 1 12 VAL MG2 1 26 LEU HA . . 3.020 2.794 2.652 3.012 . 0 0 "[ . 1 . 2]" 1
350 1 12 VAL MG2 1 29 CYS QB . . 3.860 2.456 2.321 2.714 . 0 0 "[ . 1 . 2]" 1
351 1 9 ASP HA 1 17 ILE H . . 4.080 3.851 3.611 4.195 0.115 1 0 "[ . 1 . 2]" 1
352 1 9 ASP HA 1 10 CYS H . . 2.720 2.229 2.198 2.264 . 0 0 "[ . 1 . 2]" 1
353 1 9 ASP HA 1 16 ASN QD . . 3.930 3.350 3.050 3.533 . 0 0 "[ . 1 . 2]" 1
354 1 9 ASP HA 1 9 ASP HB2 . . 3.010 2.438 2.286 2.485 . 0 0 "[ . 1 . 2]" 1
355 1 9 ASP HA 1 16 ASN QB . . 5.000 3.577 3.256 4.039 . 0 0 "[ . 1 . 2]" 1
356 1 9 ASP HA 1 17 ILE HG12 . . 5.370 4.340 3.572 5.201 . 0 0 "[ . 1 . 2]" 1
357 1 9 ASP HA 1 17 ILE HG13 . . 5.500 4.855 4.402 5.296 . 0 0 "[ . 1 . 2]" 1
358 1 9 ASP HA 1 22 ILE MD . . 4.140 3.713 3.222 4.027 . 0 0 "[ . 1 . 2]" 1
359 1 8 VAL QG 1 9 ASP HA . . 4.710 4.316 4.164 4.436 . 0 0 "[ . 1 . 2]" 1
360 1 9 ASP HA 1 15 VAL QG . . 5.060 4.434 4.297 4.537 . 0 0 "[ . 1 . 2]" 1
361 1 9 ASP HA 1 17 ILE MD . . 5.400 5.056 4.185 5.770 0.370 20 0 "[ . 1 . 2]" 1
362 1 9 ASP HB3 1 10 CYS H . . 4.400 4.024 3.934 4.245 . 0 0 "[ . 1 . 2]" 1
363 1 9 ASP H 1 9 ASP HB2 . . 3.680 3.667 3.555 3.743 0.063 5 0 "[ . 1 . 2]" 1
364 1 9 ASP HB2 1 15 VAL HA . . 5.340 5.065 4.601 5.522 0.182 20 0 "[ . 1 . 2]" 1
365 1 9 ASP HB3 1 14 GLY QA . . 4.860 4.715 4.486 4.879 0.019 6 0 "[ . 1 . 2]" 1
366 1 10 CYS HA 1 17 ILE MD . . 4.590 4.264 3.128 5.122 0.532 19 2 "[- . 1 . +2]" 1
367 1 8 VAL QG 1 10 CYS HA . . 4.680 4.479 4.327 4.662 . 0 0 "[ . 1 . 2]" 1
368 1 10 CYS HA 1 15 VAL QG . . 4.950 4.435 4.253 4.542 . 0 0 "[ . 1 . 2]" 1
369 1 10 CYS HA 1 22 ILE MD . . 2.980 1.842 1.704 2.141 . 0 0 "[ . 1 . 2]" 1
370 1 10 CYS HA 1 11 PRO HG3 . . 4.450 4.514 4.473 4.557 0.107 11 0 "[ . 1 . 2]" 1
371 1 10 CYS HA 1 11 PRO HG2 . . 4.270 4.239 4.146 4.368 0.098 5 0 "[ . 1 . 2]" 1
372 1 10 CYS HA 1 11 PRO HB3 . . 4.980 5.077 5.030 5.126 0.146 2 0 "[ . 1 . 2]" 1
373 1 10 CYS HA 1 11 PRO HD3 . . 2.580 2.631 2.506 2.707 0.127 1 0 "[ . 1 . 2]" 1
374 1 10 CYS HA 1 11 PRO HD2 . . 2.550 2.043 1.965 2.170 . 0 0 "[ . 1 . 2]" 1
375 1 10 CYS QB 1 13 CYS H . . 4.380 2.854 2.314 3.173 . 0 0 "[ . 1 . 2]" 1
376 1 10 CYS QB 1 17 ILE H . . 5.500 5.339 5.185 5.542 0.042 11 0 "[ . 1 . 2]" 1
377 1 9 ASP HA 1 10 CYS QB . . 4.540 4.019 3.940 4.079 . 0 0 "[ . 1 . 2]" 1
378 1 10 CYS QB 1 11 PRO HD2 . . 4.420 3.902 3.797 4.019 . 0 0 "[ . 1 . 2]" 1
379 1 10 CYS QB 1 11 PRO HD3 . . 5.050 4.655 4.545 4.719 . 0 0 "[ . 1 . 2]" 1
380 1 10 CYS QB 1 15 VAL HA . . 4.920 4.480 4.391 4.613 . 0 0 "[ . 1 . 2]" 1
381 1 10 CYS QB 1 15 VAL HB . . 4.890 4.490 4.344 4.639 . 0 0 "[ . 1 . 2]" 1
382 1 10 CYS QB 1 22 ILE MD . . 3.580 2.358 2.044 2.705 . 0 0 "[ . 1 . 2]" 1
383 1 10 CYS QB 1 15 VAL QG . . 3.780 2.171 1.992 2.267 . 0 0 "[ . 1 . 2]" 1
384 1 10 CYS QB 1 17 ILE HG12 . . 4.930 3.659 3.265 4.280 . 0 0 "[ . 1 . 2]" 1
385 1 10 CYS QB 1 17 ILE HG13 . . 5.220 3.953 3.713 4.328 . 0 0 "[ . 1 . 2]" 1
386 1 11 PRO HG3 1 12 VAL MG2 . . 4.130 3.925 3.754 4.223 0.093 19 0 "[ . 1 . 2]" 1
387 1 11 PRO HG2 1 12 VAL MG2 . . 3.490 2.366 2.189 2.672 . 0 0 "[ . 1 . 2]" 1
388 1 11 PRO HG2 1 26 LEU QD . . 4.220 3.088 2.942 3.244 . 0 0 "[ . 1 . 2]" 1
389 1 11 PRO HD3 1 12 VAL H . . 4.450 4.109 4.012 4.198 . 0 0 "[ . 1 . 2]" 1
390 1 10 CYS H 1 11 PRO HD2 . . 5.250 4.804 4.717 4.919 . 0 0 "[ . 1 . 2]" 1
391 1 10 CYS H 1 11 PRO HD3 . . 5.070 4.794 4.625 4.936 . 0 0 "[ . 1 . 2]" 1
392 1 11 PRO HD3 1 26 LEU QD . . 4.620 3.189 2.843 3.472 . 0 0 "[ . 1 . 2]" 1
393 1 11 PRO HD2 1 26 LEU QD . . 3.830 2.765 2.307 3.186 . 0 0 "[ . 1 . 2]" 1
394 1 8 VAL HA 1 9 ASP H . . 2.520 2.417 2.350 2.550 0.030 5 0 "[ . 1 . 2]" 1
395 1 8 VAL HA 1 8 VAL HB . . 2.710 2.528 2.503 2.554 . 0 0 "[ . 1 . 2]" 1
396 1 8 VAL HA 1 9 ASP HB3 . . 4.570 4.488 4.288 4.562 . 0 0 "[ . 1 . 2]" 1
397 1 8 VAL HA 1 8 VAL QG . . 2.820 2.326 2.302 2.346 . 0 0 "[ . 1 . 2]" 1
398 1 8 VAL H 1 8 VAL HB . . 4.030 3.949 3.905 4.008 . 0 0 "[ . 1 . 2]" 1
399 1 7 LYS QB 1 16 ASN QD . . 4.750 2.590 2.113 3.122 . 0 0 "[ . 1 . 2]" 1
400 1 7 LYS QB 1 16 ASN QB . . 5.410 4.259 4.174 4.376 . 0 0 "[ . 1 . 2]" 1
401 1 6 THR MG 1 7 LYS QB . . 5.410 5.130 4.441 5.344 . 0 0 "[ . 1 . 2]" 1
402 1 7 LYS HG3 1 8 VAL H . . 5.180 5.191 5.139 5.253 0.073 12 0 "[ . 1 . 2]" 1
403 1 7 LYS HA 1 7 LYS HG2 . . 4.050 2.595 2.524 2.667 . 0 0 "[ . 1 . 2]" 1
404 1 10 CYS HA 1 22 ILE HG13 . . 4.690 3.936 3.351 4.336 . 0 0 "[ . 1 . 2]" 1
405 1 7 LYS HA 1 7 LYS HD3 . . 4.370 4.337 4.199 4.429 0.059 17 0 "[ . 1 . 2]" 1
406 1 7 LYS QB 1 7 LYS HD3 . . 2.820 2.330 2.258 2.369 . 0 0 "[ . 1 . 2]" 1
407 1 22 ILE HG13 1 26 LEU QB . . 2.960 3.403 3.245 3.527 0.567 14 3 "[- . 1* +. 2]" 1
408 1 6 THR HA 1 6 THR MG . . 3.300 3.212 2.654 3.277 . 0 0 "[ . 1 . 2]" 1
409 1 6 THR H 1 6 THR MG . . 4.030 2.257 2.040 3.671 . 0 0 "[ . 1 . 2]" 1
410 1 5 VAL HA 1 6 THR H . . 2.970 2.157 2.020 2.240 . 0 0 "[ . 1 . 2]" 1
411 1 5 VAL HA 1 5 VAL HB . . 2.750 2.460 2.424 2.525 . 0 0 "[ . 1 . 2]" 1
412 1 5 VAL HA 1 6 THR MG . . 4.070 3.999 3.750 5.356 1.286 13 2 "[ - 1 + . 2]" 1
413 1 5 VAL HA 1 5 VAL MG2 . . 2.470 2.424 2.340 2.481 0.011 4 0 "[ . 1 . 2]" 1
414 1 5 VAL H 1 5 VAL HB . . 3.700 3.585 3.504 3.663 . 0 0 "[ . 1 . 2]" 1
415 1 12 VAL MG2 1 27 ASP HA . . 5.050 5.074 4.840 5.317 0.267 6 0 "[ . 1 . 2]" 1
416 1 28 SER HA 1 28 SER HB2 . . 2.610 2.473 2.451 2.503 . 0 0 "[ . 1 . 2]" 1
417 1 29 CYS QB 1 31 SER H . . 5.000 4.513 4.403 4.682 . 0 0 "[ . 1 . 2]" 1
418 1 26 LEU QD 1 29 CYS QB . . 5.120 4.494 4.420 4.556 . 0 0 "[ . 1 . 2]" 1
419 1 12 VAL MG2 1 30 LEU HA . . 4.130 2.873 2.267 3.409 . 0 0 "[ . 1 . 2]" 1
420 1 29 CYS H 1 30 LEU HA . . 5.340 5.153 5.022 5.350 0.010 19 0 "[ . 1 . 2]" 1
421 1 27 ASP HA 1 30 LEU HB2 . . 4.430 3.708 2.784 4.710 0.280 12 0 "[ . 1 . 2]" 1
422 1 30 LEU HB3 1 31 SER HA . . 4.780 4.386 4.024 4.683 . 0 0 "[ . 1 . 2]" 1
423 1 12 VAL MG2 1 30 LEU HB2 . . 3.480 2.673 2.104 3.385 . 0 0 "[ . 1 . 2]" 1
424 1 12 VAL MG1 1 29 CYS HA . . 4.150 3.700 3.539 4.014 . 0 0 "[ . 1 . 2]" 1
425 1 7 LYS HG2 1 17 ILE HA . . 5.500 4.025 3.778 4.395 . 0 0 "[ . 1 . 2]" 1
426 1 7 LYS HG3 1 17 ILE HA . . 5.500 5.539 5.300 5.939 0.439 5 0 "[ . 1 . 2]" 1
427 1 7 LYS HG2 1 17 ILE H . . 5.500 4.842 4.740 5.019 . 0 0 "[ . 1 . 2]" 1
428 1 7 LYS HG3 1 18 PRO QB . . 5.500 3.666 3.539 3.783 . 0 0 "[ . 1 . 2]" 1
429 1 7 LYS HG2 1 18 PRO QG . . 5.060 3.964 3.847 4.131 . 0 0 "[ . 1 . 2]" 1
430 1 7 LYS H 1 7 LYS HD3 . . 5.500 5.293 5.039 5.399 . 0 0 "[ . 1 . 2]" 1
431 1 7 LYS H 1 7 LYS HD2 . . 5.500 4.706 4.380 4.963 . 0 0 "[ . 1 . 2]" 1
432 1 22 ILE HG13 1 26 LEU QD . . 3.450 2.002 1.779 2.830 . 0 0 "[ . 1 . 2]" 1
433 1 7 LYS HD3 1 18 PRO HD2 . . 5.500 4.595 4.152 5.086 . 0 0 "[ . 1 . 2]" 1
434 1 7 LYS QB 1 8 VAL HA . . 4.640 4.074 3.980 4.163 . 0 0 "[ . 1 . 2]" 1
435 1 8 VAL HA 1 16 ASN QD . . 4.570 2.613 2.452 2.755 . 0 0 "[ . 1 . 2]" 1
436 1 8 VAL HA 1 17 ILE H . . 4.760 4.481 4.331 4.687 . 0 0 "[ . 1 . 2]" 1
437 1 8 VAL HB 1 22 ILE MG . . 4.690 4.560 4.431 4.704 0.014 5 0 "[ . 1 . 2]" 1
438 1 8 VAL HB 1 22 ILE MD . . 4.230 4.757 4.449 4.995 0.765 15 12 "[** . - *****+ * **]" 1
439 1 7 LYS HA 1 8 VAL QG . . 4.300 3.361 3.273 3.469 . 0 0 "[ . 1 . 2]" 1
440 1 8 VAL QG 1 22 ILE HA . . 4.700 4.737 4.570 4.884 0.184 14 0 "[ . 1 . 2]" 1
441 1 8 VAL QG 1 22 ILE HG12 . . 3.440 1.761 1.639 1.890 . 0 0 "[ . 1 . 2]" 1
442 1 8 VAL HA 1 9 ASP HA . . 4.430 4.352 4.314 4.390 . 0 0 "[ . 1 . 2]" 1
443 1 8 VAL HB 1 9 ASP HA . . 4.770 4.748 4.663 4.825 0.055 8 0 "[ . 1 . 2]" 1
444 1 9 ASP HA 1 15 VAL HA . . 4.960 4.684 4.500 4.916 . 0 0 "[ . 1 . 2]" 1
445 1 9 ASP HA 1 14 GLY QA . . 5.500 4.550 4.413 4.697 . 0 0 "[ . 1 . 2]" 1
446 1 9 ASP HB2 1 22 ILE MD . . 5.210 5.092 4.717 5.482 0.272 6 0 "[ . 1 . 2]" 1
447 1 9 ASP HA 1 10 CYS HA . . 4.370 4.386 4.320 4.435 0.065 19 0 "[ . 1 . 2]" 1
448 1 10 CYS HA 1 12 VAL H . . 3.790 3.871 3.767 3.955 0.165 17 0 "[ . 1 . 2]" 1
449 1 10 CYS HA 1 22 ILE HG12 . . 4.130 3.897 3.735 4.026 . 0 0 "[ . 1 . 2]" 1
450 1 10 CYS QB 1 22 ILE HG12 . . 5.500 4.765 4.455 5.205 . 0 0 "[ . 1 . 2]" 1
451 1 10 CYS QB 1 22 ILE HG13 . . 5.500 4.886 4.166 5.437 . 0 0 "[ . 1 . 2]" 1
452 1 11 PRO HA 1 13 CYS H . . 5.130 4.949 4.586 5.267 0.137 18 0 "[ . 1 . 2]" 1
453 1 11 PRO HA 1 14 GLY H . . 4.920 4.880 4.391 5.057 0.137 17 0 "[ . 1 . 2]" 1
454 1 11 PRO HB2 1 26 LEU QD . . 4.930 4.609 4.455 4.722 . 0 0 "[ . 1 . 2]" 1
455 1 12 VAL HB 1 26 LEU QD . . 5.500 5.428 5.249 5.580 0.080 5 0 "[ . 1 . 2]" 1
456 1 15 VAL HB 1 17 ILE HG12 . . 4.000 3.917 3.364 4.555 0.555 5 1 "[ + 1 . 2]" 1
457 1 11 PRO HD3 1 26 LEU QB . . 3.850 3.511 3.338 3.639 . 0 0 "[ . 1 . 2]" 1
458 1 11 PRO HD2 1 26 LEU QB . . 3.770 2.129 1.995 2.258 . 0 0 "[ . 1 . 2]" 1
459 1 11 PRO HD3 1 22 ILE HG12 . . 5.500 4.606 4.154 5.013 . 0 0 "[ . 1 . 2]" 1
460 1 11 PRO HD3 1 22 ILE HG13 . . 5.500 4.603 4.350 4.921 . 0 0 "[ . 1 . 2]" 1
461 1 11 PRO HD2 1 22 ILE HG12 . . 5.400 4.745 4.310 5.141 . 0 0 "[ . 1 . 2]" 1
462 1 11 PRO HD2 1 22 ILE HG13 . . 5.500 4.237 3.895 4.495 . 0 0 "[ . 1 . 2]" 1
463 1 11 PRO HA 1 12 VAL HA . . 4.840 4.736 4.710 4.757 . 0 0 "[ . 1 . 2]" 1
464 1 12 VAL HA 1 13 CYS HA . . 5.060 4.631 4.597 4.659 . 0 0 "[ . 1 . 2]" 1
465 1 10 CYS HA 1 12 VAL MG2 . . 4.950 4.748 4.504 4.930 . 0 0 "[ . 1 . 2]" 1
466 1 11 PRO HA 1 12 VAL MG2 . . 5.370 4.679 4.580 4.765 . 0 0 "[ . 1 . 2]" 1
467 1 12 VAL MG2 1 30 LEU HB3 . . 3.670 4.029 3.405 4.600 0.930 15 8 "[* -*** 1 *+* 2]" 1
468 1 12 VAL HB 1 13 CYS HA . . 4.560 4.431 4.244 4.711 0.151 4 0 "[ . 1 . 2]" 1
469 1 12 VAL MG1 1 13 CYS HA . . 3.950 3.932 3.630 4.270 0.320 4 0 "[ . 1 . 2]" 1
470 1 12 VAL HB 1 13 CYS HB3 . . 4.330 3.545 3.295 3.844 . 0 0 "[ . 1 . 2]" 1
471 1 15 VAL QG 1 17 ILE HB . . 4.670 4.682 4.423 4.868 0.198 15 0 "[ . 1 . 2]" 1
472 1 8 VAL HA 1 16 ASN HA . . 5.210 4.458 4.271 4.585 . 0 0 "[ . 1 . 2]" 1
473 1 17 ILE HB 1 22 ILE HA . . 4.860 3.746 3.464 4.106 . 0 0 "[ . 1 . 2]" 1
474 1 17 ILE HB 1 18 PRO HA . . 4.800 4.840 4.794 4.882 0.082 15 0 "[ . 1 . 2]" 1
475 1 17 ILE HB 1 21 HIS HA . . 5.470 4.876 4.751 5.108 . 0 0 "[ . 1 . 2]" 1
476 1 17 ILE HB 1 21 HIS H . . 5.500 4.282 4.118 4.427 . 0 0 "[ . 1 . 2]" 1
477 1 10 CYS H 1 17 ILE MD . . 4.420 4.300 3.335 5.040 0.620 19 4 "[* . 1 -. +*]" 1
478 1 17 ILE MD 1 21 HIS H . . 5.500 5.113 4.838 5.451 . 0 0 "[ . 1 . 2]" 1
479 1 17 ILE MD 1 18 PRO HD2 . . 4.380 4.491 4.207 4.707 0.327 5 0 "[ . 1 . 2]" 1
480 1 17 ILE MD 1 21 HIS HA . . 5.220 4.481 4.095 4.930 . 0 0 "[ . 1 . 2]" 1
481 1 17 ILE MD 1 22 ILE MG . . 4.250 4.210 4.046 4.470 0.220 14 0 "[ . 1 . 2]" 1
482 1 17 ILE MD 1 22 ILE HG13 . . 4.110 4.438 4.210 4.613 0.503 4 1 "[ +. 1 . 2]" 1
483 1 17 ILE MD 1 22 ILE MD . . 2.830 2.322 2.047 2.643 . 0 0 "[ . 1 . 2]" 1
484 1 17 ILE H 1 17 ILE MD . . 4.240 4.122 4.055 4.202 . 0 0 "[ . 1 . 2]" 1
485 1 17 ILE MD 1 26 LEU H . . 5.130 4.263 3.911 4.731 . 0 0 "[ . 1 . 2]" 1
486 1 17 ILE MD 1 25 HIS HA . . 4.440 4.359 4.256 4.467 0.027 6 0 "[ . 1 . 2]" 1
487 1 17 ILE MG 1 21 HIS HB2 . . 4.010 4.047 3.877 4.247 0.237 14 0 "[ . 1 . 2]" 1
488 1 16 ASN H 1 17 ILE MG . . 5.500 4.550 4.241 4.859 . 0 0 "[ . 1 . 2]" 1
489 1 16 ASN H 1 17 ILE HG12 . . 5.140 4.291 4.009 4.512 . 0 0 "[ . 1 . 2]" 1
490 1 8 VAL H 1 18 PRO HA . . 4.000 4.008 3.911 4.115 0.115 2 0 "[ . 1 . 2]" 1
491 1 18 PRO HA 1 20 SER H . . 4.480 4.548 4.434 4.726 0.246 8 0 "[ . 1 . 2]" 1
492 1 7 LYS HA 1 18 PRO QB . . 4.780 4.128 4.054 4.207 . 0 0 "[ . 1 . 2]" 1
493 1 18 PRO QB 1 19 GLU HA . . 5.110 4.706 4.665 4.768 . 0 0 "[ . 1 . 2]" 1
494 1 18 PRO QB 1 20 SER HB3 . . 5.500 4.827 4.550 5.383 . 0 0 "[ . 1 . 2]" 1
495 1 7 LYS HA 1 18 PRO HD3 . . 5.130 4.863 4.659 5.085 . 0 0 "[ . 1 . 2]" 1
496 1 7 LYS HA 1 18 PRO HD2 . . 5.500 5.497 5.362 5.633 0.133 18 0 "[ . 1 . 2]" 1
497 1 7 LYS QB 1 18 PRO HD3 . . 4.920 4.143 3.933 4.399 . 0 0 "[ . 1 . 2]" 1
498 1 7 LYS HD3 1 18 PRO HD3 . . 5.170 3.167 2.844 3.527 . 0 0 "[ . 1 . 2]" 1
499 1 7 LYS QB 1 18 PRO HD2 . . 5.310 5.054 4.818 5.355 0.045 5 0 "[ . 1 . 2]" 1
500 1 26 LEU HA 1 30 LEU HB2 . . 4.980 4.539 4.311 4.753 . 0 0 "[ . 1 . 2]" 1
501 1 30 LEU HB3 1 31 SER HB2 . . 5.500 4.463 3.857 5.705 0.205 8 0 "[ . 1 . 2]" 1
502 1 30 LEU HB3 1 31 SER HB3 . . 5.500 4.958 4.056 5.796 0.296 1 0 "[ . 1 . 2]" 1
503 1 28 SER HA 1 31 SER HB2 . . 5.100 3.734 2.909 5.927 0.827 6 1 "[ .+ 1 . 2]" 1
504 1 28 SER HA 1 31 SER HB3 . . 5.100 3.024 2.251 5.231 0.131 6 0 "[ . 1 . 2]" 1
505 1 25 HIS HA 1 29 CYS QB . . 4.530 4.679 4.568 4.760 0.230 16 0 "[ . 1 . 2]" 1
506 1 25 HIS QB 1 29 CYS QB . . 5.370 4.419 4.324 4.518 . 0 0 "[ . 1 . 2]" 1
507 1 28 SER HB3 1 29 CYS QB . . 4.570 4.586 4.421 4.769 0.199 10 0 "[ . 1 . 2]" 1
508 1 28 SER HA 1 30 LEU H . . 4.710 4.413 4.217 4.721 0.011 12 0 "[ . 1 . 2]" 1
509 1 27 ASP QB 1 28 SER HA . . 4.430 4.147 4.055 4.240 . 0 0 "[ . 1 . 2]" 1
510 1 24 LYS HB2 1 27 ASP QB . . 5.500 5.005 4.881 5.200 . 0 0 "[ . 1 . 2]" 1
511 1 24 LYS QG 1 27 ASP QB . . 5.010 4.132 3.906 4.543 . 0 0 "[ . 1 . 2]" 1
512 1 24 LYS QD 1 27 ASP QB . . 5.000 4.120 3.514 4.579 . 0 0 "[ . 1 . 2]" 1
513 1 27 ASP QB 1 28 SER HB2 . . 5.500 3.855 3.664 3.959 . 0 0 "[ . 1 . 2]" 1
514 1 27 ASP QB 1 28 SER HB3 . . 5.500 4.368 4.308 4.452 . 0 0 "[ . 1 . 2]" 1
515 1 23 ASN HA 1 27 ASP QB . . 4.700 4.432 4.252 4.719 0.019 11 0 "[ . 1 . 2]" 1
516 1 26 LEU HA 1 27 ASP HA . . 4.790 4.900 4.864 4.948 0.158 11 0 "[ . 1 . 2]" 1
517 1 26 LEU HG 1 27 ASP HA . . 4.170 4.079 3.789 4.417 0.247 1 0 "[ . 1 . 2]" 1
518 1 27 ASP HA 1 30 LEU HB3 . . 4.180 3.315 2.831 3.821 . 0 0 "[ . 1 . 2]" 1
519 1 26 LEU HA 1 26 LEU HG . . 3.950 3.805 3.773 3.833 . 0 0 "[ . 1 . 2]" 1
520 1 22 ILE HA 1 26 LEU HG . . 5.500 5.330 5.083 5.762 0.262 11 0 "[ . 1 . 2]" 1
521 1 7 LYS HA 1 19 GLU HA . . 4.370 4.288 4.142 4.452 0.082 16 0 "[ . 1 . 2]" 1
522 1 19 GLU HA 1 19 GLU HG2 . . 3.920 3.714 3.684 3.741 . 0 0 "[ . 1 . 2]" 1
523 1 19 GLU HA 1 21 HIS H . . 4.940 4.665 4.511 4.789 . 0 0 "[ . 1 . 2]" 1
524 1 19 GLU HG2 1 22 ILE MG . . 4.760 4.850 4.797 4.917 0.157 12 0 "[ . 1 . 2]" 1
525 1 19 GLU HG3 1 22 ILE MG . . 4.760 4.888 4.790 4.970 0.210 14 0 "[ . 1 . 2]" 1
526 1 20 SER HA 1 21 HIS HA . . 4.760 4.758 4.682 4.824 0.064 17 0 "[ . 1 . 2]" 1
527 1 20 SER HB2 1 21 HIS HA . . 4.300 4.248 4.121 4.382 0.082 8 0 "[ . 1 . 2]" 1
528 1 18 PRO HD2 1 21 HIS HB2 . . 4.320 3.663 3.214 4.520 0.200 20 0 "[ . 1 . 2]" 1
529 1 10 CYS HA 1 22 ILE HA . . 5.500 5.003 4.700 5.291 . 0 0 "[ . 1 . 2]" 1
530 1 22 ILE HA 1 23 ASN HA . . 5.500 4.865 4.802 4.902 . 0 0 "[ . 1 . 2]" 1
531 1 11 PRO HG3 1 22 ILE MD . . 5.500 4.817 4.040 5.855 0.355 1 0 "[ . 1 . 2]" 1
532 1 9 ASP HB3 1 22 ILE MD . . 5.500 5.582 5.195 5.858 0.358 18 0 "[ . 1 . 2]" 1
533 1 22 ILE MD 1 23 ASN H . . 5.020 4.460 4.351 4.625 . 0 0 "[ . 1 . 2]" 1
534 1 11 PRO HD3 1 22 ILE MD . . 3.590 3.262 2.415 4.161 0.571 1 1 "[+ . 1 . 2]" 1
535 1 7 LYS HA 1 22 ILE MG . . 4.330 3.952 3.629 4.264 . 0 0 "[ . 1 . 2]" 1
536 1 19 GLU H 1 22 ILE MG . . 5.370 3.715 3.610 3.803 . 0 0 "[ . 1 . 2]" 1
537 1 19 GLU QB 1 22 ILE MG . . 3.960 3.447 3.309 3.590 . 0 0 "[ . 1 . 2]" 1
538 1 22 ILE MG 1 23 ASN HB3 . . 4.690 4.604 4.087 4.925 0.235 17 0 "[ . 1 . 2]" 1
539 1 22 ILE H 1 23 ASN HB2 . . 4.930 4.734 4.457 4.971 0.041 6 0 "[ . 1 . 2]" 1
540 1 23 ASN HB3 1 24 LYS HB2 . . 4.600 4.663 3.961 5.055 0.455 14 0 "[ . 1 . 2]" 1
541 1 23 ASN HB3 1 26 LEU HG . . 5.500 5.212 4.508 5.971 0.471 6 0 "[ . 1 . 2]" 1
542 1 24 LYS HA 1 24 LYS QE . . 4.420 4.327 4.000 4.596 0.176 2 0 "[ . 1 . 2]" 1
543 1 24 LYS HA 1 26 LEU H . . 5.370 4.871 4.709 5.059 . 0 0 "[ . 1 . 2]" 1
544 1 24 LYS HA 1 28 SER H . . 4.750 4.107 3.841 4.334 . 0 0 "[ . 1 . 2]" 1
545 1 24 LYS HB3 1 25 HIS HA . . 4.540 4.100 3.863 4.282 . 0 0 "[ . 1 . 2]" 1
546 1 24 LYS QE 1 25 HIS HA . . 4.380 4.663 4.001 5.258 0.878 16 8 "[ * .*-**1* .+ *2]" 1
547 1 25 HIS HA 1 28 SER H . . 4.370 3.751 3.526 3.946 . 0 0 "[ . 1 . 2]" 1
548 1 17 ILE HG12 1 25 HIS QB . . 5.500 4.441 4.284 4.530 . 0 0 "[ . 1 . 2]" 1
549 1 17 ILE HG13 1 25 HIS QB . . 5.500 3.947 3.692 4.204 . 0 0 "[ . 1 . 2]" 1
550 1 25 HIS QB 1 26 LEU QD . . 5.500 4.362 4.151 4.509 . 0 0 "[ . 1 . 2]" 1
551 1 10 CYS QB 1 26 LEU HA . . 4.730 4.565 4.352 4.705 . 0 0 "[ . 1 . 2]" 1
552 1 25 HIS QB 1 26 LEU HA . . 4.240 3.748 3.656 3.824 . 0 0 "[ . 1 . 2]" 1
553 1 26 LEU HA 1 30 LEU H . . 4.690 3.864 3.634 4.019 . 0 0 "[ . 1 . 2]" 1
554 1 11 PRO HB3 1 26 LEU QD . . 5.500 4.579 4.376 4.733 . 0 0 "[ . 1 . 2]" 1
555 1 11 PRO HG3 1 26 LEU QD . . 3.990 2.822 2.581 2.955 . 0 0 "[ . 1 . 2]" 1
556 1 12 VAL H 1 26 LEU QD . . 5.040 4.669 4.505 4.852 . 0 0 "[ . 1 . 2]" 1
557 1 6 THR HA 1 6 THR HB . . 2.550 2.526 2.452 2.985 0.435 13 0 "[ . 1 . 2]" 1
558 1 6 THR HA 1 7 LYS H . . 2.700 2.254 2.169 2.311 . 0 0 "[ . 1 . 2]" 1
559 1 6 THR HA 1 8 VAL QG . . 5.500 4.939 4.760 5.192 . 0 0 "[ . 1 . 2]" 1
560 1 5 VAL MG2 1 6 THR HA . . 3.980 4.177 3.777 4.674 0.694 13 1 "[ . 1 + . 2]" 1
561 1 6 THR HA 1 7 LYS HG3 . . 4.040 3.862 3.604 4.076 0.036 16 0 "[ . 1 . 2]" 1
562 1 6 THR HA 1 7 LYS QB . . 4.800 4.447 4.298 4.557 . 0 0 "[ . 1 . 2]" 1
563 1 6 THR HA 1 19 GLU QB . . 5.500 5.039 4.816 5.180 . 0 0 "[ . 1 . 2]" 1
564 1 5 VAL MG2 1 6 THR HB . . 5.000 4.977 4.431 5.160 0.160 16 0 "[ . 1 . 2]" 1
565 1 6 THR HB 1 19 GLU QB . . 4.960 4.406 2.875 4.696 . 0 0 "[ . 1 . 2]" 1
566 1 5 VAL H 1 6 THR HB . . 4.950 5.130 5.025 5.334 0.384 5 0 "[ . 1 . 2]" 1
567 1 6 THR H 1 6 THR HB . . 3.490 2.726 2.090 3.046 . 0 0 "[ . 1 . 2]" 1
568 1 5 VAL H 1 6 THR MG . . 5.500 5.452 5.233 5.970 0.470 5 0 "[ . 1 . 2]" 1
569 1 17 ILE HB 1 21 HIS QB . . 4.350 2.165 1.907 2.451 . 0 0 "[ . 1 . 2]" 1
570 1 17 ILE HG13 1 21 HIS QB . . 4.290 4.165 3.730 4.564 0.274 5 0 "[ . 1 . 2]" 1
571 1 17 ILE MD 1 21 HIS QB . . 4.000 3.287 2.964 3.933 . 0 0 "[ . 1 . 2]" 1
572 1 18 PRO QB 1 21 HIS QB . . 4.920 3.908 3.701 4.196 . 0 0 "[ . 1 . 2]" 1
573 1 18 PRO QG 1 21 HIS QB . . 4.280 2.350 2.096 2.760 . 0 0 "[ . 1 . 2]" 1
574 1 18 PRO HD2 1 21 HIS QB . . 3.790 2.703 2.232 3.374 . 0 0 "[ . 1 . 2]" 1
575 1 18 PRO HD3 1 21 HIS QB . . 4.380 4.178 3.817 4.803 0.423 20 0 "[ . 1 . 2]" 1
576 1 19 GLU H 1 19 GLU QG . . 3.990 2.029 1.937 2.144 . 0 0 "[ . 1 . 2]" 1
577 1 19 GLU HA 1 19 GLU QG . . 3.370 3.371 3.353 3.384 0.014 16 0 "[ . 1 . 2]" 1
578 1 19 GLU QG 1 20 SER H . . 4.810 2.306 2.158 2.500 . 0 0 "[ . 1 . 2]" 1
579 1 19 GLU QG 1 20 SER HA . . 3.790 3.731 3.637 3.836 0.046 2 0 "[ . 1 . 2]" 1
580 1 19 GLU QG 1 20 SER HB3 . . 4.370 3.476 3.278 4.692 0.322 6 0 "[ . 1 . 2]" 1
581 1 19 GLU QG 1 22 ILE MG . . 4.120 4.337 4.286 4.381 0.261 14 0 "[ . 1 . 2]" 1
582 1 21 HIS H 1 21 HIS QB . . 3.190 2.270 2.201 2.344 . 0 0 "[ . 1 . 2]" 1
583 1 21 HIS QB 1 24 LYS H . . 5.340 5.291 5.131 5.453 0.113 7 0 "[ . 1 . 2]" 1
584 1 21 HIS QB 1 24 LYS HB3 . . 5.340 4.905 4.452 5.324 . 0 0 "[ . 1 . 2]" 1
585 1 23 ASN HA 1 23 ASN QD . . 4.250 3.555 1.925 4.129 . 0 0 "[ . 1 . 2]" 1
586 1 27 ASP HA 1 30 LEU QD . . 5.440 4.006 3.293 4.882 . 0 0 "[ . 1 . 2]" 1
587 1 28 SER HA 1 31 SER QB . . 4.360 2.835 2.185 4.904 0.544 6 1 "[ .+ 1 . 2]" 1
588 1 30 LEU HB3 1 30 LEU QD . . 3.060 2.270 2.190 2.378 . 0 0 "[ . 1 . 2]" 1
589 1 30 LEU QD 1 31 SER H . . 4.440 3.927 3.572 4.331 . 0 0 "[ . 1 . 2]" 1
590 1 30 LEU QD 1 31 SER HA . . 4.390 3.826 3.212 4.802 0.412 16 0 "[ . 1 . 2]" 1
591 1 31 SER H 1 31 SER QB . . 3.560 2.394 2.272 2.785 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 23
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 GLU O 1 23 ASN H . . 2.700 2.424 2.373 2.494 . 0 0 "[ . 1 . 2]" 2
2 1 20 SER O 1 24 LYS H . . 2.700 2.394 2.228 2.470 . 0 0 "[ . 1 . 2]" 2
3 1 21 HIS O 1 25 HIS H . . 2.700 2.090 2.013 2.213 . 0 0 "[ . 1 . 2]" 2
4 1 22 ILE O 1 26 LEU H . . 2.700 1.974 1.932 2.032 . 0 0 "[ . 1 . 2]" 2
5 1 23 ASN O 1 27 ASP H . . 2.700 2.457 2.344 2.524 . 0 0 "[ . 1 . 2]" 2
6 1 24 LYS O 1 28 SER H . . 2.700 2.039 1.932 2.245 . 0 0 "[ . 1 . 2]" 2
7 1 20 SER O 1 24 LYS N . . 3.930 3.356 3.151 3.450 . 0 0 "[ . 1 . 2]" 2
8 1 22 ILE O 1 26 LEU N . . 3.930 2.944 2.903 3.002 . 0 0 "[ . 1 . 2]" 2
9 1 21 HIS O 1 25 HIS N . . 3.930 2.906 2.792 3.070 . 0 0 "[ . 1 . 2]" 2
10 1 24 LYS O 1 28 SER N . . 3.930 3.001 2.893 3.211 . 0 0 "[ . 1 . 2]" 2
11 1 19 GLU O 1 23 ASN N . . 3.930 3.363 3.266 3.441 . 0 0 "[ . 1 . 2]" 2
12 1 23 ASN O 1 27 ASP N . . 3.930 3.325 3.201 3.402 . 0 0 "[ . 1 . 2]" 2
13 1 18 PRO O 1 22 ILE N . . 3.930 2.882 2.819 2.947 . 0 0 "[ . 1 . 2]" 2
14 1 8 VAL O 1 17 ILE H . . 2.700 2.175 2.083 2.294 . 0 0 "[ . 1 . 2]" 2
15 1 8 VAL O 1 17 ILE N . . 3.930 3.100 2.999 3.240 . 0 0 "[ . 1 . 2]" 2
16 1 8 VAL H 1 17 ILE O . . 2.700 2.123 2.056 2.206 . 0 0 "[ . 1 . 2]" 2
17 1 8 VAL N 1 17 ILE O . . 3.930 3.049 2.975 3.141 . 0 0 "[ . 1 . 2]" 2
18 1 25 HIS O 1 29 CYS H . . 2.700 2.001 1.939 2.055 . 0 0 "[ . 1 . 2]" 2
19 1 25 HIS O 1 29 CYS N . . 3.930 2.778 2.728 2.868 . 0 0 "[ . 1 . 2]" 2
20 1 26 LEU O 1 30 LEU H . . 2.700 2.081 2.005 2.142 . 0 0 "[ . 1 . 2]" 2
21 1 26 LEU O 1 30 LEU N . . 3.930 2.885 2.794 2.982 . 0 0 "[ . 1 . 2]" 2
22 1 10 CYS H 1 15 VAL O . . 2.700 2.113 2.053 2.178 . 0 0 "[ . 1 . 2]" 2
23 1 10 CYS N 1 15 VAL O . . 3.930 2.865 2.806 2.923 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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