NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
565992 |
2m6b   |
19126 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m6b
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 660
_Distance_constraint_stats_list.Viol_count 2253
_Distance_constraint_stats_list.Viol_total 41740.797
_Distance_constraint_stats_list.Viol_max 11.079
_Distance_constraint_stats_list.Viol_rms 1.1172
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2811
_Distance_constraint_stats_list.Viol_average_violations_only 1.2351
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 29.436 4.790 3 13 "[* +****- ******]"
1 2 LEU 0.014 0.006 3 0 "[ . 1 .]"
1 3 GLU 5.375 1.195 3 4 "[ + . 1 -**.]"
1 4 ARG 29.593 3.653 4 14 "[** +****-******]"
1 5 GLN 162.669 8.057 14 15 [**********-**+*]
1 6 LEU 32.690 2.721 13 15 [******-*****+**]
1 7 GLY 194.937 11.079 6 15 [*****+-********]
1 8 TYR 0.673 0.061 14 0 "[ . 1 .]"
1 9 TYR 40.734 3.125 6 15 [*****+*****-***]
1 10 LEU 110.137 8.297 6 15 [*****+-********]
1 11 ILE 103.005 7.710 6 15 [*****+-********]
1 12 GLN 62.717 4.032 6 15 [*****+******-**]
1 13 LEU 43.664 3.734 6 15 [*****+*****-***]
1 14 TYR 0.235 0.057 12 0 "[ . 1 .]"
1 15 ILE 82.074 6.436 6 15 [**-**+*********]
1 16 PRO 0.059 0.009 6 0 "[ . 1 .]"
1 17 SER 34.051 3.424 6 15 [*****+**-******]
1 18 LEU 0.037 0.007 14 0 "[ . 1 .]"
1 19 LEU 32.782 3.291 6 15 [**-**+*********]
1 20 ILE 0.090 0.009 6 0 "[ . 1 .]"
1 21 VAL 0.187 0.022 14 0 "[ . 1 .]"
1 22 ILE 99.477 7.820 5 15 [**-*+**********]
1 23 LEU 0.442 0.099 5 0 "[ . 1 .]"
1 24 SER 76.112 6.344 6 15 [**-**+*********]
1 25 TRP 13.851 2.162 6 12 "[** **+* ****-*]"
1 26 ILE 0.258 0.037 15 0 "[ . 1 .]"
1 27 SER 52.428 5.005 6 15 [*****+*-*******]
1 28 PHE 32.351 3.525 5 15 [****+*-********]
1 29 TRP 64.790 4.099 4 15 [***+********-**]
1 30 ILE 0.718 0.062 6 0 "[ . 1 .]"
1 31 ASN 20.045 2.853 6 10 "[*****+ * - * *]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 34 ALA 3.338 0.906 3 3 "[ + . - 1 *.]"
1 35 ALA 0.297 0.042 12 0 "[ . 1 .]"
1 36 PRO 1.015 0.062 6 0 "[ . 1 .]"
1 37 ALA 0.731 0.074 15 0 "[ . 1 .]"
1 38 ARG 88.988 7.996 6 15 [*****+****-****]
1 39 VAL 55.611 5.412 5 15 [****+*****-****]
1 40 GLY 0.248 0.030 7 0 "[ . 1 .]"
1 41 LEU 0.422 0.027 7 0 "[ . 1 .]"
1 42 GLY 66.066 5.896 5 15 [****+*****-****]
1 43 ILE 20.661 2.661 6 13 "[* ***+**-* ****]"
1 44 THR 0.846 0.056 14 0 "[ . 1 .]"
1 45 THR 0.922 0.059 1 0 "[ . 1 .]"
1 46 VAL 27.104 2.764 6 15 [*-***+*********]
1 47 LEU 1.031 0.058 1 0 "[ . 1 .]"
1 48 THR 0.630 0.050 14 0 "[ . 1 .]"
1 49 LEU 50.458 2.708 5 15 [**-*+**********]
1 50 THR 0.259 0.031 12 0 "[ . 1 .]"
1 51 THR 0.052 0.008 14 0 "[ . 1 .]"
1 52 GLN 0.057 0.016 14 0 "[ . 1 .]"
1 53 SER 12.448 1.124 14 15 [****-********+*]
1 54 SER 0.622 0.078 11 0 "[ . 1 .]"
1 55 GLY 0.450 0.069 7 0 "[ . 1 .]"
1 56 SER 20.786 4.345 14 5 "[ - . * * * +.]"
1 57 ARG 56.042 4.550 12 15 [***********+**-]
1 58 ALA 2.394 0.132 7 0 "[ . 1 .]"
1 59 SER 0.734 0.064 14 0 "[ . 1 .]"
1 60 LEU 1.872 0.220 13 0 "[ . 1 .]"
1 61 PRO 0.140 0.109 11 0 "[ . 1 .]"
1 62 LYS 1.407 0.220 13 0 "[ . 1 .]"
1 63 VAL 20.077 1.685 7 15 [***-**+********]
1 64 SER 56.093 4.152 1 15 [+**********-***]
1 65 TYR 127.063 8.306 6 15 [*****+*******-*]
1 66 VAL 37.106 2.949 11 15 [****-*****+****]
1 67 LYS 17.416 2.075 7 13 "[* ****+ ******-]"
1 68 ALA 18.343 1.577 7 15 [******+******-*]
1 69 ILE 18.615 1.832 8 15 [****-**+*******]
1 70 ASP 26.402 2.809 7 15 [****-*+********]
1 71 ILE 0.225 0.038 15 0 "[ . 1 .]"
1 72 TRP 0.005 0.001 10 0 "[ . 1 .]"
1 73 LEU 0.199 0.038 15 0 "[ . 1 .]"
1 74 ALA 116.289 8.005 3 15 [**+*********-**]
1 75 VAL 0.050 0.011 8 0 "[ . 1 .]"
1 76 CYS 645.633 8.002 14 15 [****-********+*]
1 77 LEU 18.786 1.750 10 15 [**-******+*****]
1 78 LEU 0.024 0.004 10 0 "[ . 1 .]"
1 79 PHE 0.530 0.036 14 0 "[ . 1 .]"
1 80 VAL 0.018 0.004 14 0 "[ . 1 .]"
1 81 PHE 9.131 0.916 1 12 "[+ ***** *****-]"
1 82 SER 737.752 8.057 14 15 [**-**********+*]
1 83 ALA 47.453 3.375 14 15 [********-****+*]
1 84 LEU 5.528 0.630 14 3 "[* - 1 +.]"
1 85 LEU 0.090 0.011 15 0 "[ . 1 .]"
1 86 GLU 0.080 0.010 15 0 "[ . 1 .]"
1 87 TYR 0.103 0.008 12 0 "[ . 1 .]"
1 88 ALA 0.037 0.004 10 0 "[ . 1 .]"
1 89 ALA 0.109 0.018 4 0 "[ . 1 .]"
1 90 VAL 2.152 0.441 4 0 "[ . 1 .]"
1 91 ASN 5.896 0.743 8 4 "[ *-* + 1 .]"
1 92 PHE 49.971 3.416 10 15 [**-******+*****]
1 93 VAL 0.102 0.072 7 0 "[ . 1 .]"
1 94 SER 1378.602 11.079 6 15 [*****+**-******]
1 95 ARG 9.091 0.943 9 9 "[ *- . * +**** *]"
1 96 GLN 90.008 5.660 7 15 [*****-+********]
1 97 ARG 0.551 0.125 10 0 "[ . 1 .]"
1 98 GLU 24.387 3.237 14 14 "[***-* *******+*]"
1 99 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 100 GLY 141.330 8.002 14 15 [********-****+*]
1 101 GLY 92.490 5.307 5 15 [****+******-***]
1 102 GLY 38.043 4.337 1 15 [+***********-**]
1 103 GLY 46.004 5.239 6 15 [**-**+*********]
1 104 PHE 41.293 3.891 7 15 [******+**-*****]
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 30 ILE QG 1 36 PRO QD . . 5.580 5.628 5.612 5.642 0.062 6 0 "[ . 1 .]" 1
2 1 46 VAL QG 1 79 PHE QB . . 5.000 5.016 5.004 5.036 0.036 14 0 "[ . 1 .]" 1
3 1 46 VAL QG 1 79 PHE QE . . 5.000 4.647 4.090 5.001 0.001 1 0 "[ . 1 .]" 1
4 1 13 LEU QB 1 53 SER QB . . 5.500 5.388 5.038 5.500 . 0 0 "[ . 1 .]" 1
5 1 29 TRP HD1 1 39 VAL QG . . 5.500 5.569 5.503 5.593 0.093 10 0 "[ . 1 .]" 1
6 1 9 TYR QE 1 52 GLN QE . . 5.510 4.834 3.499 5.499 . 0 0 "[ . 1 .]" 1
7 1 27 SER QB 1 38 ARG QD . . 4.030 3.902 2.911 4.042 0.012 2 0 "[ . 1 .]" 1
8 1 21 VAL QG 1 79 PHE QE . . 4.500 4.327 3.697 4.505 0.005 12 0 "[ . 1 .]" 1
9 1 4 ARG HD3 1 63 VAL H . . 5.310 5.301 5.192 5.329 0.019 12 0 "[ . 1 .]" 1
10 1 25 TRP HZ2 1 86 GLU QB . . 4.540 3.571 1.937 4.549 0.009 7 0 "[ . 1 .]" 1
11 1 4 ARG HA 1 63 VAL HB . . 5.360 4.755 3.885 5.341 . 0 0 "[ . 1 .]" 1
12 1 94 SER H 1 104 PHE QE . . 5.260 5.116 4.199 5.262 0.002 13 0 "[ . 1 .]" 1
13 1 6 LEU QD 1 59 SER H . . 4.800 4.008 2.298 4.802 0.002 3 0 "[ . 1 .]" 1
14 1 1 MET H1 1 1 MET HA . . 3.560 2.572 2.282 2.946 . 0 0 "[ . 1 .]" 1
15 1 1 MET H1 1 1 MET QB . . 4.000 2.789 2.258 3.346 . 0 0 "[ . 1 .]" 1
16 1 4 ARG H 1 4 ARG QD . . 4.820 2.762 2.562 3.315 . 0 0 "[ . 1 .]" 1
17 1 4 ARG H 1 4 ARG QG . . 3.880 2.615 1.941 3.559 . 0 0 "[ . 1 .]" 1
18 1 5 GLN H 1 5 GLN QG . . 3.730 2.564 2.459 2.759 . 0 0 "[ . 1 .]" 1
19 1 9 TYR H 1 9 TYR QB . . 3.910 2.240 2.088 2.290 . 0 0 "[ . 1 .]" 1
20 1 10 LEU H 1 10 LEU HG . . 4.000 3.488 2.732 4.001 0.001 3 0 "[ . 1 .]" 1
21 1 10 LEU H 1 10 LEU QB . . 3.770 2.179 2.117 2.314 . 0 0 "[ . 1 .]" 1
22 1 15 ILE H 1 15 ILE HA . . 3.110 2.756 2.749 2.758 . 0 0 "[ . 1 .]" 1
23 1 17 SER H 1 17 SER QB . . 3.820 2.188 2.057 2.422 . 0 0 "[ . 1 .]" 1
24 1 18 LEU H 1 18 LEU QB . . 3.610 2.233 2.060 2.396 . 0 0 "[ . 1 .]" 1
25 1 21 VAL H 1 21 VAL HB . . 3.700 2.347 2.270 2.417 . 0 0 "[ . 1 .]" 1
26 1 21 VAL H 1 21 VAL QG . . 3.350 2.471 2.324 2.641 . 0 0 "[ . 1 .]" 1
27 1 25 TRP H 1 25 TRP QB . . 2.670 2.132 2.066 2.242 . 0 0 "[ . 1 .]" 1
28 1 26 ILE H 1 26 ILE QG . . 3.900 2.456 1.989 3.914 0.014 12 0 "[ . 1 .]" 1
29 1 27 SER H 1 27 SER QB . . 3.860 2.552 2.347 2.675 . 0 0 "[ . 1 .]" 1
30 1 29 TRP H 1 29 TRP QB . . 3.490 2.270 2.236 2.314 . 0 0 "[ . 1 .]" 1
31 1 31 ASN H 1 31 ASN QD . . 4.030 3.258 2.270 3.617 . 0 0 "[ . 1 .]" 1
32 1 34 ALA H 1 34 ALA MB . . 3.350 2.029 2.026 2.044 . 0 0 "[ . 1 .]" 1
33 1 37 ALA H 1 37 ALA MB . . 3.350 2.128 2.037 2.235 . 0 0 "[ . 1 .]" 1
34 1 45 THR H 1 45 THR HB . . 3.800 2.493 2.355 2.585 . 0 0 "[ . 1 .]" 1
35 1 46 VAL H 1 46 VAL MG1 . . 3.760 2.901 1.912 3.762 0.002 1 0 "[ . 1 .]" 1
36 1 49 LEU H 1 49 LEU HG . . 3.680 3.082 2.891 3.722 0.042 5 0 "[ . 1 .]" 1
37 1 50 THR H 1 50 THR HB . . 4.060 2.606 2.386 3.507 . 0 0 "[ . 1 .]" 1
38 1 53 SER H 1 53 SER HA . . 2.860 2.833 2.793 2.873 0.013 2 0 "[ . 1 .]" 1
39 1 53 SER H 1 53 SER QB . . 2.760 2.146 2.062 2.280 . 0 0 "[ . 1 .]" 1
40 1 54 SER H 1 54 SER HA . . 2.870 2.903 2.875 2.948 0.078 11 0 "[ . 1 .]" 1
41 1 55 GLY H 1 55 GLY QA . . 2.740 2.233 2.195 2.245 . 0 0 "[ . 1 .]" 1
42 1 56 SER H 1 56 SER QB . . 2.760 2.413 2.098 2.498 . 0 0 "[ . 1 .]" 1
43 1 57 ARG H 1 57 ARG QB . . 3.290 2.854 2.292 3.306 0.016 7 0 "[ . 1 .]" 1
44 1 58 ALA H 1 58 ALA HA . . 2.910 2.899 2.898 2.900 . 0 0 "[ . 1 .]" 1
45 1 58 ALA H 1 58 ALA MB . . 2.930 2.182 2.108 2.283 . 0 0 "[ . 1 .]" 1
46 1 59 SER H 1 59 SER QB . . 3.230 2.407 2.183 2.817 . 0 0 "[ . 1 .]" 1
47 1 62 LYS HA 1 62 LYS QD . . 3.570 2.764 2.184 3.525 . 0 0 "[ . 1 .]" 1
48 1 64 SER H 1 64 SER QB . . 3.820 2.254 2.107 2.298 . 0 0 "[ . 1 .]" 1
49 1 66 VAL H 1 66 VAL HB . . 3.750 2.565 2.272 3.613 . 0 0 "[ . 1 .]" 1
50 1 71 ILE H 1 71 ILE HB . . 3.980 2.471 2.324 2.621 . 0 0 "[ . 1 .]" 1
51 1 73 LEU H 1 73 LEU QB . . 3.890 2.323 2.063 3.285 . 0 0 "[ . 1 .]" 1
52 1 78 LEU H 1 78 LEU HG . . 3.920 3.192 2.584 3.910 . 0 0 "[ . 1 .]" 1
53 1 84 LEU H 1 84 LEU HG . . 4.610 4.422 4.226 4.502 . 0 0 "[ . 1 .]" 1
54 1 84 LEU H 1 84 LEU QB . . 3.710 2.211 2.168 2.263 . 0 0 "[ . 1 .]" 1
55 1 85 LEU H 1 85 LEU HG . . 4.560 4.203 3.288 4.544 . 0 0 "[ . 1 .]" 1
56 1 86 GLU H 1 86 GLU QB . . 3.360 2.187 2.091 2.290 . 0 0 "[ . 1 .]" 1
57 1 86 GLU QB 1 86 GLU QG . . 2.400 2.002 1.939 2.081 . 0 0 "[ . 1 .]" 1
58 1 89 ALA H 1 89 ALA MB . . 3.550 2.164 2.043 2.245 . 0 0 "[ . 1 .]" 1
59 1 97 ARG H 1 97 ARG QB . . 3.390 2.225 2.042 2.537 . 0 0 "[ . 1 .]" 1
60 1 98 GLU QB 1 98 GLU QG . . 2.400 2.050 2.014 2.085 . 0 0 "[ . 1 .]" 1
61 1 99 PHE H 1 99 PHE QB . . 3.740 2.301 2.076 2.560 . 0 0 "[ . 1 .]" 1
62 1 104 PHE H 1 104 PHE QB . . 3.570 2.196 2.047 2.547 . 0 0 "[ . 1 .]" 1
63 1 2 LEU H 1 2 LEU QB . . 3.800 2.949 2.421 3.432 . 0 0 "[ . 1 .]" 1
64 1 4 ARG H 1 4 ARG QB . . 3.860 2.444 2.170 2.669 . 0 0 "[ . 1 .]" 1
65 1 5 GLN H 1 5 GLN QB . . 3.820 2.470 2.211 2.661 . 0 0 "[ . 1 .]" 1
66 1 13 LEU H 1 13 LEU QB . . 3.750 2.270 2.169 2.291 . 0 0 "[ . 1 .]" 1
67 1 23 LEU H 1 23 LEU QB . . 3.540 2.178 2.027 2.496 . 0 0 "[ . 1 .]" 1
68 1 38 ARG H 1 38 ARG QB . . 3.760 2.377 2.211 2.609 . 0 0 "[ . 1 .]" 1
69 1 52 GLN H 1 52 GLN QB . . 3.500 2.300 2.258 2.319 . 0 0 "[ . 1 .]" 1
70 1 1 MET H1 1 2 LEU H . . 4.010 3.068 1.945 4.012 0.002 9 0 "[ . 1 .]" 1
71 1 1 MET HA 1 2 LEU H . . 4.200 2.803 2.145 3.295 . 0 0 "[ . 1 .]" 1
72 1 2 LEU HA 1 3 GLU H . . 4.110 2.670 2.432 3.082 . 0 0 "[ . 1 .]" 1
73 1 3 GLU HA 1 4 ARG H . . 4.080 3.506 3.423 3.555 . 0 0 "[ . 1 .]" 1
74 1 3 GLU QB 1 4 ARG H . . 3.990 2.906 2.401 3.466 . 0 0 "[ . 1 .]" 1
75 1 4 ARG H 1 5 GLN H . . 3.910 2.493 2.383 2.578 . 0 0 "[ . 1 .]" 1
76 1 4 ARG HA 1 5 GLN H . . 4.070 3.366 3.364 3.368 . 0 0 "[ . 1 .]" 1
77 1 5 GLN H 1 6 LEU H . . 3.770 2.451 2.288 2.766 . 0 0 "[ . 1 .]" 1
78 1 7 GLY QA 1 8 TYR H . . 3.650 2.827 2.809 2.847 . 0 0 "[ . 1 .]" 1
79 1 8 TYR H 1 9 TYR H . . 3.780 2.656 2.572 2.673 . 0 0 "[ . 1 .]" 1
80 1 9 TYR QB 1 10 LEU H . . 4.070 2.969 2.923 3.014 . 0 0 "[ . 1 .]" 1
81 1 10 LEU H 1 11 ILE H . . 3.880 2.359 2.347 2.382 . 0 0 "[ . 1 .]" 1
82 1 10 LEU H 1 11 ILE QG . . 4.090 4.096 4.074 4.108 0.018 10 0 "[ . 1 .]" 1
83 1 10 LEU HA 1 11 ILE H . . 3.470 3.457 3.453 3.464 . 0 0 "[ . 1 .]" 1
84 1 11 ILE H 1 12 GLN H . . 3.820 2.576 2.548 2.646 . 0 0 "[ . 1 .]" 1
85 1 13 LEU HA 1 14 TYR H . . 4.020 3.439 3.433 3.442 . 0 0 "[ . 1 .]" 1
86 1 14 TYR HA 1 15 ILE H . . 3.770 3.496 3.482 3.519 . 0 0 "[ . 1 .]" 1
87 1 14 TYR QB 1 15 ILE H . . 3.800 2.858 2.784 2.904 . 0 0 "[ . 1 .]" 1
88 1 14 TYR H 1 15 ILE H . . 4.090 2.422 2.403 2.483 . 0 0 "[ . 1 .]" 1
89 1 16 PRO QG 1 17 SER H . . 4.030 2.285 2.111 2.439 . 0 0 "[ . 1 .]" 1
90 1 17 SER H 1 18 LEU H . . 4.000 2.590 2.512 2.700 . 0 0 "[ . 1 .]" 1
91 1 17 SER QB 1 18 LEU H . . 4.030 2.956 2.731 3.522 . 0 0 "[ . 1 .]" 1
92 1 18 LEU H 1 19 LEU H . . 3.890 2.397 2.277 2.478 . 0 0 "[ . 1 .]" 1
93 1 18 LEU HA 1 19 LEU H . . 3.890 3.515 3.498 3.529 . 0 0 "[ . 1 .]" 1
94 1 20 ILE H 1 21 VAL H . . 3.460 2.571 2.419 2.639 . 0 0 "[ . 1 .]" 1
95 1 20 ILE HA 1 21 VAL H . . 3.990 3.467 3.452 3.490 . 0 0 "[ . 1 .]" 1
96 1 22 ILE HB 1 23 LEU H . . 3.840 2.928 2.604 3.939 0.099 5 0 "[ . 1 .]" 1
97 1 23 LEU HA 1 24 SER H . . 3.830 3.429 3.381 3.467 . 0 0 "[ . 1 .]" 1
98 1 24 SER HA 1 25 TRP H . . 4.040 3.554 3.532 3.567 . 0 0 "[ . 1 .]" 1
99 1 25 TRP H 1 26 ILE H . . 4.060 2.593 2.425 2.684 . 0 0 "[ . 1 .]" 1
100 1 26 ILE H 1 27 SER H . . 3.010 2.752 2.713 2.774 . 0 0 "[ . 1 .]" 1
101 1 26 ILE HB 1 27 SER H . . 4.060 3.098 2.900 3.787 . 0 0 "[ . 1 .]" 1
102 1 27 SER H 1 28 PHE H . . 3.910 2.114 2.073 2.172 . 0 0 "[ . 1 .]" 1
103 1 27 SER QB 1 28 PHE H . . 3.920 3.156 2.908 3.718 . 0 0 "[ . 1 .]" 1
104 1 28 PHE HA 1 29 TRP H . . 3.710 3.436 3.393 3.474 . 0 0 "[ . 1 .]" 1
105 1 28 PHE QB 1 29 TRP H . . 3.740 3.016 2.912 3.124 . 0 0 "[ . 1 .]" 1
106 1 29 TRP H 1 30 ILE H . . 3.820 2.759 2.735 2.781 . 0 0 "[ . 1 .]" 1
107 1 29 TRP QB 1 30 ILE H . . 3.920 3.523 3.509 3.549 . 0 0 "[ . 1 .]" 1
108 1 30 ILE H 1 31 ASN H . . 3.990 1.912 1.877 1.991 . 0 0 "[ . 1 .]" 1
109 1 31 ASN QB 1 32 LEU H . . 3.750 3.267 3.261 3.274 . 0 0 "[ . 1 .]" 1
110 1 32 LEU H 1 33 ASP H . . 4.090 2.738 2.729 2.759 . 0 0 "[ . 1 .]" 1
111 1 33 ASP QB 1 34 ALA H . . 4.030 2.753 2.651 3.446 . 0 0 "[ . 1 .]" 1
112 1 34 ALA HA 1 35 ALA H . . 3.980 3.541 3.526 3.545 . 0 0 "[ . 1 .]" 1
113 1 35 ALA H 1 36 PRO QG . . 4.530 4.550 4.535 4.572 0.042 12 0 "[ . 1 .]" 1
114 1 36 PRO HA 1 37 ALA H . . 3.480 3.323 2.514 3.384 . 0 0 "[ . 1 .]" 1
115 1 37 ALA MB 1 38 ARG H . . 3.680 2.676 2.404 2.781 . 0 0 "[ . 1 .]" 1
116 1 38 ARG H 1 39 VAL H . . 3.690 2.535 2.396 2.679 . 0 0 "[ . 1 .]" 1
117 1 38 ARG HA 1 39 VAL H . . 3.610 3.490 3.466 3.511 . 0 0 "[ . 1 .]" 1
118 1 39 VAL HA 1 40 GLY H . . 4.050 3.495 3.450 3.534 . 0 0 "[ . 1 .]" 1
119 1 40 GLY H 1 41 LEU H . . 3.860 2.566 2.435 2.689 . 0 0 "[ . 1 .]" 1
120 1 40 GLY HA2 1 41 LEU H . . 3.910 3.468 3.454 3.482 . 0 0 "[ . 1 .]" 1
121 1 40 GLY HA3 1 41 LEU H . . 3.990 3.011 2.982 3.038 . 0 0 "[ . 1 .]" 1
122 1 41 LEU H 1 42 GLY H . . 3.670 2.412 2.374 2.441 . 0 0 "[ . 1 .]" 1
123 1 43 ILE H 1 44 THR H . . 4.050 2.494 2.458 2.542 . 0 0 "[ . 1 .]" 1
124 1 44 THR H 1 45 THR H . . 3.790 2.352 2.343 2.358 . 0 0 "[ . 1 .]" 1
125 1 44 THR HB 1 45 THR H . . 3.800 3.057 2.978 3.151 . 0 0 "[ . 1 .]" 1
126 1 45 THR H 1 46 VAL H . . 3.560 2.394 2.347 2.455 . 0 0 "[ . 1 .]" 1
127 1 45 THR HA 1 46 VAL H . . 4.010 3.470 3.447 3.493 . 0 0 "[ . 1 .]" 1
128 1 45 THR HB 1 46 VAL H . . 3.590 2.973 2.903 3.059 . 0 0 "[ . 1 .]" 1
129 1 46 VAL H 1 47 LEU H . . 3.940 2.375 2.340 2.418 . 0 0 "[ . 1 .]" 1
130 1 46 VAL HA 1 47 LEU H . . 3.860 3.519 3.510 3.529 . 0 0 "[ . 1 .]" 1
131 1 46 VAL MG1 1 47 LEU H . . 3.360 2.818 2.129 3.417 0.057 1 0 "[ . 1 .]" 1
132 1 47 LEU H 1 48 THR H . . 4.020 2.401 2.381 2.434 . 0 0 "[ . 1 .]" 1
133 1 47 LEU HA 1 48 THR H . . 3.830 3.433 3.404 3.442 . 0 0 "[ . 1 .]" 1
134 1 48 THR H 1 49 LEU H . . 3.940 2.254 2.232 2.343 . 0 0 "[ . 1 .]" 1
135 1 48 THR HB 1 49 LEU H . . 3.590 2.989 2.892 3.037 . 0 0 "[ . 1 .]" 1
136 1 49 LEU H 1 50 THR H . . 4.030 2.369 2.359 2.417 . 0 0 "[ . 1 .]" 1
137 1 49 LEU QB 1 50 THR H . . 4.110 3.037 2.874 3.551 . 0 0 "[ . 1 .]" 1
138 1 50 THR H 1 51 THR H . . 4.040 2.394 2.353 2.443 . 0 0 "[ . 1 .]" 1
139 1 50 THR HB 1 51 THR H . . 4.070 2.610 2.525 3.203 . 0 0 "[ . 1 .]" 1
140 1 51 THR H 1 52 GLN H . . 3.460 2.544 2.500 2.599 . 0 0 "[ . 1 .]" 1
141 1 53 SER H 1 54 SER H . . 3.010 2.562 2.421 2.676 . 0 0 "[ . 1 .]" 1
142 1 53 SER HA 1 54 SER H . . 3.710 3.431 3.352 3.516 . 0 0 "[ . 1 .]" 1
143 1 54 SER H 1 55 GLY H . . 3.200 2.489 2.389 2.550 . 0 0 "[ . 1 .]" 1
144 1 55 GLY H 1 56 SER H . . 3.140 2.502 2.346 2.832 . 0 0 "[ . 1 .]" 1
145 1 56 SER H 1 57 ARG H . . 3.000 2.586 2.423 2.833 . 0 0 "[ . 1 .]" 1
146 1 56 SER HA 1 57 ARG H . . 3.540 3.397 3.289 3.546 0.006 13 0 "[ . 1 .]" 1
147 1 57 ARG H 1 58 ALA H . . 3.230 2.680 2.674 2.687 . 0 0 "[ . 1 .]" 1
148 1 57 ARG HA 1 58 ALA H . . 2.960 3.056 3.040 3.065 0.105 9 0 "[ . 1 .]" 1
149 1 58 ALA H 1 59 SER H . . 3.220 2.318 2.315 2.321 . 0 0 "[ . 1 .]" 1
150 1 58 ALA HA 1 59 SER H . . 3.450 3.428 3.423 3.432 . 0 0 "[ . 1 .]" 1
151 1 59 SER H 1 60 LEU H . . 3.280 2.550 2.087 2.879 . 0 0 "[ . 1 .]" 1
152 1 59 SER HA 1 60 LEU H . . 3.560 3.344 3.167 3.568 0.008 6 0 "[ . 1 .]" 1
153 1 59 SER QB 1 60 LEU H . . 3.470 3.091 2.213 3.534 0.064 14 0 "[ . 1 .]" 1
154 1 62 LYS HA 1 63 VAL H . . 3.940 3.532 3.106 3.571 . 0 0 "[ . 1 .]" 1
155 1 62 LYS QB 1 63 VAL H . . 3.510 2.326 1.957 3.603 0.093 3 0 "[ . 1 .]" 1
156 1 64 SER H 1 65 TYR H . . 3.780 2.547 2.380 2.762 . 0 0 "[ . 1 .]" 1
157 1 64 SER QB 1 65 TYR H . . 3.810 2.858 2.582 3.127 . 0 0 "[ . 1 .]" 1
158 1 65 TYR H 1 66 VAL H . . 3.930 2.768 2.554 2.962 . 0 0 "[ . 1 .]" 1
159 1 66 VAL HA 1 67 LYS H . . 4.010 3.545 3.491 3.571 . 0 0 "[ . 1 .]" 1
160 1 67 LYS HA 1 68 ALA H . . 4.100 3.496 3.404 3.561 . 0 0 "[ . 1 .]" 1
161 1 68 ALA H 1 69 ILE H . . 4.050 2.491 2.294 2.723 . 0 0 "[ . 1 .]" 1
162 1 68 ALA HA 1 69 ILE H . . 3.940 3.466 3.446 3.504 . 0 0 "[ . 1 .]" 1
163 1 68 ALA MB 1 69 ILE H . . 3.970 2.884 2.768 2.956 . 0 0 "[ . 1 .]" 1
164 1 69 ILE H 1 70 ASP H . . 3.880 2.487 2.383 2.566 . 0 0 "[ . 1 .]" 1
165 1 70 ASP H 1 71 ILE H . . 4.050 2.455 2.404 2.586 . 0 0 "[ . 1 .]" 1
166 1 70 ASP HA 1 71 ILE H . . 4.040 3.419 3.412 3.467 . 0 0 "[ . 1 .]" 1
167 1 71 ILE HB 1 72 TRP H . . 3.980 3.485 2.914 3.981 0.001 10 0 "[ . 1 .]" 1
168 1 72 TRP HA 1 73 LEU H . . 3.860 3.407 3.374 3.486 . 0 0 "[ . 1 .]" 1
169 1 74 ALA HA 1 75 VAL H . . 3.870 3.385 2.805 3.572 . 0 0 "[ . 1 .]" 1
170 1 76 CYS H 1 77 LEU H . . 3.880 2.253 1.898 2.700 . 0 0 "[ . 1 .]" 1
171 1 76 CYS QB 1 77 LEU H . . 4.140 3.568 3.520 3.598 . 0 0 "[ . 1 .]" 1
172 1 77 LEU HG 1 78 LEU H . . 3.920 3.679 3.197 3.917 . 0 0 "[ . 1 .]" 1
173 1 77 LEU QB 1 78 LEU H . . 3.960 2.782 2.308 3.121 . 0 0 "[ . 1 .]" 1
174 1 78 LEU H 1 79 PHE H . . 3.720 2.460 2.107 2.663 . 0 0 "[ . 1 .]" 1
175 1 80 VAL HB 1 81 PHE H . . 3.990 3.897 3.474 3.990 . 0 0 "[ . 1 .]" 1
176 1 81 PHE HA 1 82 SER H . . 4.140 3.563 3.546 3.569 . 0 0 "[ . 1 .]" 1
177 1 82 SER H 1 83 ALA H . . 3.680 2.538 2.364 2.764 . 0 0 "[ . 1 .]" 1
178 1 83 ALA H 1 84 LEU H . . 4.140 2.373 2.350 2.481 . 0 0 "[ . 1 .]" 1
179 1 83 ALA HA 1 84 LEU H . . 3.890 3.457 3.445 3.490 . 0 0 "[ . 1 .]" 1
180 1 84 LEU H 1 85 LEU H . . 3.780 2.389 2.376 2.413 . 0 0 "[ . 1 .]" 1
181 1 84 LEU HA 1 85 LEU H . . 3.860 3.502 3.488 3.518 . 0 0 "[ . 1 .]" 1
182 1 84 LEU HG 1 85 LEU H . . 4.610 4.101 3.506 4.571 . 0 0 "[ . 1 .]" 1
183 1 84 LEU QB 1 85 LEU H . . 4.030 2.781 2.672 2.871 . 0 0 "[ . 1 .]" 1
184 1 85 LEU H 1 86 GLU H . . 4.140 2.555 2.514 2.590 . 0 0 "[ . 1 .]" 1
185 1 85 LEU HA 1 86 GLU H . . 3.700 3.487 3.480 3.494 . 0 0 "[ . 1 .]" 1
186 1 86 GLU H 1 87 TYR H . . 3.890 2.439 2.366 2.464 . 0 0 "[ . 1 .]" 1
187 1 86 GLU HA 1 87 TYR H . . 3.780 3.537 3.519 3.547 . 0 0 "[ . 1 .]" 1
188 1 86 GLU QB 1 87 TYR H . . 3.630 2.612 2.521 2.731 . 0 0 "[ . 1 .]" 1
189 1 87 TYR HA 1 88 ALA H . . 3.370 3.354 3.321 3.374 0.004 10 0 "[ . 1 .]" 1
190 1 88 ALA H 1 89 ALA H . . 3.570 2.077 1.931 2.147 . 0 0 "[ . 1 .]" 1
191 1 88 ALA HA 1 89 ALA H . . 3.730 3.436 3.366 3.460 . 0 0 "[ . 1 .]" 1
192 1 89 ALA H 1 90 VAL H . . 3.630 2.579 2.494 2.625 . 0 0 "[ . 1 .]" 1
193 1 89 ALA HA 1 90 VAL H . . 3.590 3.550 3.541 3.556 . 0 0 "[ . 1 .]" 1
194 1 90 VAL H 1 91 ASN H . . 3.800 2.744 2.553 2.897 . 0 0 "[ . 1 .]" 1
195 1 90 VAL HA 1 91 ASN H . . 3.960 3.516 3.472 3.562 . 0 0 "[ . 1 .]" 1
196 1 90 VAL HB 1 91 ASN H . . 3.820 3.027 2.417 3.893 0.073 12 0 "[ . 1 .]" 1
197 1 91 ASN HA 1 92 PHE H . . 4.040 3.425 3.415 3.456 . 0 0 "[ . 1 .]" 1
198 1 91 ASN QB 1 92 PHE H . . 4.060 3.059 2.976 3.093 . 0 0 "[ . 1 .]" 1
199 1 92 PHE H 1 93 VAL H . . 3.940 2.402 2.300 2.487 . 0 0 "[ . 1 .]" 1
200 1 93 VAL H 1 94 SER H . . 3.910 2.922 2.771 3.013 . 0 0 "[ . 1 .]" 1
201 1 93 VAL HA 1 94 SER H . . 3.890 3.563 3.531 3.572 . 0 0 "[ . 1 .]" 1
202 1 93 VAL HB 1 94 SER H . . 3.750 2.478 2.246 3.594 . 0 0 "[ . 1 .]" 1
203 1 95 ARG HA 1 96 GLN H . . 3.990 3.201 3.034 3.422 . 0 0 "[ . 1 .]" 1
204 1 95 ARG QB 1 96 GLN H . . 3.970 3.446 3.053 3.681 . 0 0 "[ . 1 .]" 1
205 1 96 GLN H 1 97 ARG H . . 3.800 2.587 1.900 3.130 . 0 0 "[ . 1 .]" 1
206 1 96 GLN HA 1 97 ARG H . . 3.510 2.815 2.360 3.061 . 0 0 "[ . 1 .]" 1
207 1 98 GLU HA 1 99 PHE H . . 3.850 3.170 2.592 3.569 . 0 0 "[ . 1 .]" 1
208 1 98 GLU QG 1 99 PHE H . . 3.930 3.176 1.969 3.920 . 0 0 "[ . 1 .]" 1
209 1 99 PHE H 1 100 GLY H . . 4.030 2.598 2.385 2.952 . 0 0 "[ . 1 .]" 1
210 1 100 GLY H 1 101 GLY H . . 4.110 3.376 2.176 4.110 . 0 0 "[ . 1 .]" 1
211 1 100 GLY QA 1 101 GLY H . . 2.880 2.405 2.139 2.874 . 0 0 "[ . 1 .]" 1
212 1 101 GLY H 1 102 GLY H . . 3.810 2.589 2.414 2.728 . 0 0 "[ . 1 .]" 1
213 1 101 GLY QA 1 102 GLY H . . 2.910 2.891 2.861 2.910 0.000 7 0 "[ . 1 .]" 1
214 1 102 GLY H 1 103 GLY H . . 4.010 2.507 2.258 2.803 . 0 0 "[ . 1 .]" 1
215 1 25 TRP QB 1 26 ILE H . . 3.200 2.528 2.305 2.620 . 0 0 "[ . 1 .]" 1
216 1 1 MET QB 1 2 LEU H . . 3.980 3.654 3.235 3.911 . 0 0 "[ . 1 .]" 1
217 1 4 ARG QB 1 5 GLN H . . 3.660 3.192 3.179 3.216 . 0 0 "[ . 1 .]" 1
218 1 5 GLN HA 1 6 LEU H . . 4.020 3.254 3.107 3.486 . 0 0 "[ . 1 .]" 1
219 1 8 TYR HA 1 9 TYR H . . 4.080 3.528 3.502 3.534 . 0 0 "[ . 1 .]" 1
220 1 8 TYR QB 1 9 TYR H . . 3.910 2.659 2.576 2.838 . 0 0 "[ . 1 .]" 1
221 1 10 LEU QB 1 11 ILE H . . 3.980 3.004 2.897 3.440 . 0 0 "[ . 1 .]" 1
222 1 11 ILE HA 1 12 GLN H . . 4.100 3.556 3.548 3.563 . 0 0 "[ . 1 .]" 1
223 1 19 LEU H 1 20 ILE H . . 3.880 2.629 2.591 2.651 . 0 0 "[ . 1 .]" 1
224 1 21 VAL HA 1 22 ILE H . . 3.590 3.558 3.550 3.567 . 0 0 "[ . 1 .]" 1
225 1 23 LEU H 1 24 SER H . . 3.790 2.556 2.471 2.620 . 0 0 "[ . 1 .]" 1
226 1 26 ILE HA 1 27 SER H . . 3.760 3.475 3.454 3.485 . 0 0 "[ . 1 .]" 1
227 1 30 ILE HA 1 31 ASN H . . 3.890 3.483 3.470 3.493 . 0 0 "[ . 1 .]" 1
228 1 31 ASN H 1 32 LEU H . . 3.870 2.546 2.541 2.552 . 0 0 "[ . 1 .]" 1
229 1 38 ARG QB 1 39 VAL H . . 4.090 2.786 2.692 2.895 . 0 0 "[ . 1 .]" 1
230 1 41 LEU HA 1 42 GLY H . . 3.780 3.533 3.521 3.545 . 0 0 "[ . 1 .]" 1
231 1 44 THR HA 1 45 THR H . . 3.710 3.445 3.417 3.470 . 0 0 "[ . 1 .]" 1
232 1 47 LEU QB 1 48 THR H . . 4.060 3.038 3.016 3.114 . 0 0 "[ . 1 .]" 1
233 1 48 THR HA 1 49 LEU H . . 4.050 3.470 3.456 3.498 . 0 0 "[ . 1 .]" 1
234 1 49 LEU HA 1 50 THR H . . 3.950 3.460 3.431 3.477 . 0 0 "[ . 1 .]" 1
235 1 50 THR HA 1 51 THR H . . 4.070 3.543 3.529 3.548 . 0 0 "[ . 1 .]" 1
236 1 51 THR HA 1 52 GLN H . . 3.680 3.479 3.455 3.503 . 0 0 "[ . 1 .]" 1
237 1 54 SER HA 1 55 GLY H . . 3.510 3.187 2.909 3.439 . 0 0 "[ . 1 .]" 1
238 1 67 LYS QB 1 68 ALA H . . 4.080 2.790 2.373 3.076 . 0 0 "[ . 1 .]" 1
239 1 72 TRP QB 1 73 LEU H . . 3.940 3.098 2.864 3.173 . 0 0 "[ . 1 .]" 1
240 1 77 LEU HA 1 78 LEU H . . 4.020 3.498 3.406 3.562 . 0 0 "[ . 1 .]" 1
241 1 78 LEU HA 1 79 PHE H . . 3.850 3.505 3.460 3.532 . 0 0 "[ . 1 .]" 1
242 1 83 ALA MB 1 84 LEU H . . 3.820 2.913 2.834 3.000 . 0 0 "[ . 1 .]" 1
243 1 88 ALA MB 1 89 ALA H . . 3.550 2.956 2.896 3.125 . 0 0 "[ . 1 .]" 1
244 1 91 ASN H 1 92 PHE H . . 4.000 2.384 2.305 2.567 . 0 0 "[ . 1 .]" 1
245 1 92 PHE QB 1 93 VAL H . . 3.840 3.243 3.094 3.495 . 0 0 "[ . 1 .]" 1
246 1 96 GLN QB 1 97 ARG H . . 3.750 3.768 3.651 3.875 0.125 10 0 "[ . 1 .]" 1
247 1 97 ARG HA 1 98 GLU H . . 4.160 3.426 3.380 3.497 . 0 0 "[ . 1 .]" 1
248 1 98 GLU QB 1 99 PHE H . . 3.390 2.548 1.964 3.008 . 0 0 "[ . 1 .]" 1
249 1 99 PHE QB 1 100 GLY H . . 3.990 2.953 2.195 3.903 . 0 0 "[ . 1 .]" 1
250 1 103 GLY QA 1 104 PHE H . . 3.610 2.729 2.548 2.918 . 0 0 "[ . 1 .]" 1
251 1 3 GLU HA 1 5 GLN H . . 3.900 3.749 3.455 3.923 0.023 12 0 "[ . 1 .]" 1
252 1 6 LEU H 1 8 TYR H . . 4.040 4.067 4.045 4.101 0.061 14 0 "[ . 1 .]" 1
253 1 6 LEU HA 1 8 TYR H . . 4.200 3.710 3.647 3.801 . 0 0 "[ . 1 .]" 1
254 1 6 LEU QB 1 8 TYR H . . 4.620 4.524 4.482 4.572 . 0 0 "[ . 1 .]" 1
255 1 8 TYR H 1 10 LEU H . . 4.070 3.863 3.816 3.934 . 0 0 "[ . 1 .]" 1
256 1 9 TYR H 1 11 ILE H . . 4.010 3.966 3.897 3.997 . 0 0 "[ . 1 .]" 1
257 1 9 TYR HA 1 11 ILE H . . 4.050 4.064 4.052 4.091 0.041 12 0 "[ . 1 .]" 1
258 1 11 ILE HB 1 13 LEU H . . 4.950 4.684 4.597 4.760 . 0 0 "[ . 1 .]" 1
259 1 12 GLN H 1 14 TYR H . . 4.090 3.939 3.895 3.981 . 0 0 "[ . 1 .]" 1
260 1 16 PRO HA 1 18 LEU H . . 4.240 4.171 3.993 4.244 0.004 7 0 "[ . 1 .]" 1
261 1 17 SER H 1 19 LEU H . . 4.070 4.062 4.009 4.079 0.009 7 0 "[ . 1 .]" 1
262 1 18 LEU H 1 20 ILE H . . 4.060 4.042 3.942 4.067 0.007 14 0 "[ . 1 .]" 1
263 1 19 LEU H 1 21 VAL H . . 3.900 3.906 3.896 3.922 0.022 14 0 "[ . 1 .]" 1
264 1 20 ILE HA 1 22 ILE H . . 4.660 4.570 4.498 4.664 0.004 7 0 "[ . 1 .]" 1
265 1 21 VAL H 1 23 LEU H . . 4.080 4.053 3.879 4.086 0.006 12 0 "[ . 1 .]" 1
266 1 23 LEU H 1 25 TRP H . . 4.830 4.687 4.491 4.833 0.003 1 0 "[ . 1 .]" 1
267 1 25 TRP HA 1 27 SER H . . 3.900 3.896 3.820 3.920 0.020 14 0 "[ . 1 .]" 1
268 1 28 PHE H 1 30 ILE H . . 5.000 4.425 4.349 4.516 . 0 0 "[ . 1 .]" 1
269 1 32 LEU H 1 34 ALA H . . 4.090 4.061 4.048 4.085 . 0 0 "[ . 1 .]" 1
270 1 37 ALA H 1 39 VAL H . . 4.040 4.045 3.382 4.114 0.074 15 0 "[ . 1 .]" 1
271 1 37 ALA HA 1 39 VAL H . . 4.390 4.178 4.103 4.353 . 0 0 "[ . 1 .]" 1
272 1 38 ARG H 1 40 GLY H . . 3.990 3.955 3.894 4.020 0.030 7 0 "[ . 1 .]" 1
273 1 39 VAL H 1 41 LEU H . . 4.360 3.928 3.793 4.041 . 0 0 "[ . 1 .]" 1
274 1 39 VAL HA 1 41 LEU H . . 4.090 3.976 3.767 4.117 0.027 7 0 "[ . 1 .]" 1
275 1 41 LEU H 1 43 ILE H . . 3.860 3.852 3.786 3.876 0.016 15 0 "[ . 1 .]" 1
276 1 41 LEU HA 1 43 ILE H . . 4.360 4.374 4.364 4.387 0.027 14 0 "[ . 1 .]" 1
277 1 42 GLY HA2 1 44 THR H . . 4.140 4.137 4.101 4.165 0.025 7 0 "[ . 1 .]" 1
278 1 42 GLY HA3 1 44 THR H . . 4.640 4.563 4.524 4.619 . 0 0 "[ . 1 .]" 1
279 1 43 ILE H 1 45 THR H . . 3.970 3.911 3.865 3.962 . 0 0 "[ . 1 .]" 1
280 1 43 ILE HA 1 45 THR H . . 4.290 4.096 4.007 4.174 . 0 0 "[ . 1 .]" 1
281 1 44 THR H 1 46 VAL H . . 3.940 3.963 3.948 3.996 0.056 14 0 "[ . 1 .]" 1
282 1 44 THR HA 1 46 VAL H . . 4.410 4.082 4.000 4.178 . 0 0 "[ . 1 .]" 1
283 1 45 THR H 1 47 LEU H . . 4.010 3.994 3.943 4.043 0.033 14 0 "[ . 1 .]" 1
284 1 46 VAL H 1 48 THR H . . 4.040 3.663 3.616 3.718 . 0 0 "[ . 1 .]" 1
285 1 47 LEU H 1 49 LEU H . . 4.430 3.924 3.873 4.026 . 0 0 "[ . 1 .]" 1
286 1 47 LEU HA 1 49 LEU H . . 4.410 4.238 4.175 4.363 . 0 0 "[ . 1 .]" 1
287 1 48 THR H 1 50 THR H . . 4.000 3.773 3.637 3.859 . 0 0 "[ . 1 .]" 1
288 1 49 LEU HA 1 51 THR H . . 4.730 4.701 4.516 4.738 0.008 14 0 "[ . 1 .]" 1
289 1 51 THR HA 1 53 SER H . . 4.310 4.224 4.033 4.312 0.002 7 0 "[ . 1 .]" 1
290 1 50 THR H 1 52 GLN H . . 3.810 3.680 3.636 3.741 . 0 0 "[ . 1 .]" 1
291 1 50 THR HB 1 52 GLN H . . 5.040 4.840 4.764 5.056 0.016 14 0 "[ . 1 .]" 1
292 1 52 GLN HA 1 54 SER H . . 4.690 3.749 3.437 4.291 . 0 0 "[ . 1 .]" 1
293 1 53 SER H 1 55 GLY H . . 4.590 4.125 3.837 4.361 . 0 0 "[ . 1 .]" 1
294 1 53 SER HA 1 55 GLY H . . 3.980 3.710 3.358 4.009 0.029 14 0 "[ . 1 .]" 1
295 1 54 SER H 1 56 SER H . . 4.960 4.648 3.965 4.962 0.002 7 0 "[ . 1 .]" 1
296 1 55 GLY H 1 57 ARG H . . 4.940 3.874 3.639 4.574 . 0 0 "[ . 1 .]" 1
297 1 60 LEU HG 1 62 LYS H . . 4.550 4.528 4.140 4.709 0.159 11 0 "[ . 1 .]" 1
298 1 60 LEU QB 1 62 LYS H . . 4.820 3.352 2.076 3.927 . 0 0 "[ . 1 .]" 1
299 1 61 PRO HA 1 63 VAL H . . 5.000 4.708 3.964 5.109 0.109 11 0 "[ . 1 .]" 1
300 1 62 LYS HA 1 64 SER H . . 5.000 4.713 4.096 5.033 0.033 11 0 "[ . 1 .]" 1
301 1 67 LYS H 1 69 ILE H . . 4.050 4.039 3.986 4.058 0.008 6 0 "[ . 1 .]" 1
302 1 67 LYS HA 1 69 ILE H . . 4.190 4.041 3.977 4.191 0.001 6 0 "[ . 1 .]" 1
303 1 69 ILE HB 1 71 ILE H . . 5.360 4.992 4.831 5.323 . 0 0 "[ . 1 .]" 1
304 1 71 ILE HA 1 73 LEU H . . 3.860 3.726 3.537 3.862 0.002 6 0 "[ . 1 .]" 1
305 1 74 ALA HA 1 76 CYS H . . 5.000 4.105 3.172 5.001 0.001 11 0 "[ . 1 .]" 1
306 1 75 VAL H 1 77 LEU H . . 3.930 3.834 3.649 3.936 0.006 3 0 "[ . 1 .]" 1
307 1 76 CYS H 1 78 LEU H . . 4.550 3.903 3.371 4.265 . 0 0 "[ . 1 .]" 1
308 1 77 LEU H 1 79 PHE H . . 3.880 3.886 3.882 3.895 0.015 15 0 "[ . 1 .]" 1
309 1 81 PHE HA 1 83 ALA H . . 4.440 4.218 4.160 4.440 0.000 5 0 "[ . 1 .]" 1
310 1 82 SER H 1 84 LEU H . . 3.980 3.992 3.983 4.007 0.027 14 0 "[ . 1 .]" 1
311 1 83 ALA H 1 85 LEU H . . 3.990 3.995 3.991 4.001 0.011 15 0 "[ . 1 .]" 1
312 1 83 ALA HA 1 85 LEU H . . 4.730 4.298 4.221 4.438 . 0 0 "[ . 1 .]" 1
313 1 84 LEU H 1 86 GLU H . . 4.270 3.926 3.887 3.980 . 0 0 "[ . 1 .]" 1
314 1 84 LEU HA 1 86 GLU H . . 4.070 4.074 4.071 4.080 0.010 15 0 "[ . 1 .]" 1
315 1 86 GLU H 1 88 ALA H . . 3.830 3.665 3.624 3.700 . 0 0 "[ . 1 .]" 1
316 1 86 GLU HA 1 88 ALA H . . 4.600 3.723 3.651 3.769 . 0 0 "[ . 1 .]" 1
317 1 87 TYR H 1 89 ALA H . . 4.080 4.048 3.948 4.083 0.003 13 0 "[ . 1 .]" 1
318 1 88 ALA H 1 90 VAL H . . 4.060 4.032 3.944 4.064 0.004 13 0 "[ . 1 .]" 1
319 1 89 ALA HA 1 91 ASN H . . 4.690 4.223 4.004 4.531 . 0 0 "[ . 1 .]" 1
320 1 90 VAL H 1 92 PHE H . . 3.940 3.919 3.826 3.960 0.020 12 0 "[ . 1 .]" 1
321 1 90 VAL HA 1 92 PHE H . . 4.070 4.070 4.054 4.080 0.010 15 0 "[ . 1 .]" 1
322 1 91 ASN H 1 93 VAL H . . 4.490 3.953 3.796 4.112 . 0 0 "[ . 1 .]" 1
323 1 91 ASN QB 1 93 VAL H . . 4.570 4.561 4.523 4.578 0.008 6 0 "[ . 1 .]" 1
324 1 93 VAL H 1 95 ARG H . . 4.040 3.782 3.417 4.045 0.005 15 0 "[ . 1 .]" 1
325 1 95 ARG HA 1 97 ARG H . . 5.260 4.538 4.140 5.121 . 0 0 "[ . 1 .]" 1
326 1 100 GLY QA 1 102 GLY H . . 3.040 3.035 2.962 3.058 0.018 14 0 "[ . 1 .]" 1
327 1 5 GLN HA 1 7 GLY H . . 5.160 4.044 3.899 4.385 . 0 0 "[ . 1 .]" 1
328 1 10 LEU HA 1 12 GLN H . . 5.140 4.648 4.540 4.772 . 0 0 "[ . 1 .]" 1
329 1 13 LEU HA 1 15 ILE H . . 5.070 4.184 4.121 4.274 . 0 0 "[ . 1 .]" 1
330 1 21 VAL HA 1 23 LEU H . . 4.510 4.469 4.359 4.521 0.011 7 0 "[ . 1 .]" 1
331 1 24 SER HA 1 26 ILE H . . 4.970 4.928 4.760 4.979 0.009 12 0 "[ . 1 .]" 1
332 1 26 ILE HA 1 28 PHE H . . 4.360 4.316 4.174 4.397 0.037 15 0 "[ . 1 .]" 1
333 1 27 SER H 1 29 TRP H . . 4.660 3.949 3.870 4.067 . 0 0 "[ . 1 .]" 1
334 1 58 ALA HA 1 60 LEU H . . 4.880 3.962 3.445 4.888 0.008 3 0 "[ . 1 .]" 1
335 1 60 LEU H 1 62 LYS H . . 4.970 5.015 4.832 5.190 0.220 13 0 "[ . 1 .]" 1
336 1 63 VAL H 1 65 TYR H . . 5.930 3.921 3.599 4.367 . 0 0 "[ . 1 .]" 1
337 1 63 VAL HA 1 65 TYR H . . 4.300 4.212 3.880 4.302 0.002 13 0 "[ . 1 .]" 1
338 1 65 TYR H 1 67 LYS H . . 5.140 4.190 3.829 4.482 . 0 0 "[ . 1 .]" 1
339 1 65 TYR HA 1 67 LYS H . . 4.840 4.640 4.286 4.848 0.008 10 0 "[ . 1 .]" 1
340 1 70 ASP HA 1 72 TRP H . . 4.570 4.162 3.566 4.571 0.001 9 0 "[ . 1 .]" 1
341 1 73 LEU HA 1 75 VAL H . . 4.730 4.598 4.378 4.741 0.011 8 0 "[ . 1 .]" 1
342 1 75 VAL HA 1 77 LEU H . . 4.550 4.280 4.032 4.537 . 0 0 "[ . 1 .]" 1
343 1 77 LEU HA 1 79 PHE H . . 4.490 4.340 3.947 4.491 0.001 12 0 "[ . 1 .]" 1
344 1 78 LEU HA 1 80 VAL H . . 4.510 4.335 4.152 4.513 0.003 15 0 "[ . 1 .]" 1
345 1 82 SER HA 1 84 LEU H . . 4.590 4.082 4.042 4.138 . 0 0 "[ . 1 .]" 1
346 1 85 LEU H 1 87 TYR H . . 4.350 4.166 4.067 4.213 . 0 0 "[ . 1 .]" 1
347 1 85 LEU HA 1 87 TYR H . . 5.060 4.632 4.545 4.750 . 0 0 "[ . 1 .]" 1
348 1 87 TYR HA 1 89 ALA H . . 4.200 4.179 4.073 4.206 0.006 15 0 "[ . 1 .]" 1
349 1 88 ALA HA 1 90 VAL H . . 4.510 4.481 4.365 4.514 0.004 6 0 "[ . 1 .]" 1
350 1 89 ALA H 1 91 ASN H . . 4.330 4.038 3.705 4.285 . 0 0 "[ . 1 .]" 1
351 1 92 PHE HA 1 94 SER H . . 5.910 4.315 3.728 4.602 . 0 0 "[ . 1 .]" 1
352 1 94 SER H 1 96 GLN H . . 4.430 3.923 3.441 4.376 . 0 0 "[ . 1 .]" 1
353 1 98 GLU H 1 100 GLY H . . 4.700 4.216 3.214 4.701 0.001 6 0 "[ . 1 .]" 1
354 1 1 MET HA 1 3 GLU H . . 4.110 3.881 3.540 4.112 0.002 9 0 "[ . 1 .]" 1
355 1 2 LEU HA 1 4 ARG H . . 3.810 3.578 3.134 3.816 0.006 3 0 "[ . 1 .]" 1
356 1 8 TYR HA 1 10 LEU H . . 4.120 4.124 4.105 4.159 0.039 12 0 "[ . 1 .]" 1
357 1 30 ILE HA 1 32 LEU H . . 3.850 3.549 3.528 3.565 . 0 0 "[ . 1 .]" 1
358 1 46 VAL HA 1 48 THR H . . 4.070 4.077 3.975 4.120 0.050 14 0 "[ . 1 .]" 1
359 1 49 LEU H 1 51 THR H . . 4.080 4.071 4.015 4.086 0.006 11 0 "[ . 1 .]" 1
360 1 52 GLN H 1 54 SER H . . 4.050 3.973 3.790 4.063 0.013 12 0 "[ . 1 .]" 1
361 1 56 SER HA 1 58 ALA H . . 3.990 3.650 3.259 4.122 0.132 7 0 "[ . 1 .]" 1
362 1 57 ARG HA 1 59 SER H . . 3.740 3.487 3.452 3.504 . 0 0 "[ . 1 .]" 1
363 1 69 ILE HA 1 71 ILE H . . 3.900 3.864 3.716 3.913 0.013 13 0 "[ . 1 .]" 1
364 1 71 ILE H 1 73 LEU H . . 4.190 3.832 3.530 4.228 0.038 15 0 "[ . 1 .]" 1
365 1 79 PHE HA 1 81 PHE H . . 3.950 3.957 3.907 3.970 0.020 14 0 "[ . 1 .]" 1
366 1 101 GLY QA 1 103 GLY H . . 3.450 3.351 3.040 3.450 0.000 9 0 "[ . 1 .]" 1
367 1 102 GLY QA 1 104 PHE H . . 3.610 3.592 3.348 3.617 0.007 14 0 "[ . 1 .]" 1
368 1 5 GLN HA 1 8 TYR H . . 4.000 3.910 3.837 4.002 0.002 8 0 "[ . 1 .]" 1
369 1 8 TYR HA 1 11 ILE H . . 3.910 3.542 3.502 3.565 . 0 0 "[ . 1 .]" 1
370 1 10 LEU HA 1 13 LEU H . . 3.790 3.479 3.439 3.514 . 0 0 "[ . 1 .]" 1
371 1 10 LEU HA 1 13 LEU QB . . 3.570 2.472 2.431 2.589 . 0 0 "[ . 1 .]" 1
372 1 11 ILE HA 1 14 TYR QB . . 4.040 2.627 2.544 2.666 . 0 0 "[ . 1 .]" 1
373 1 12 GLN HA 1 15 ILE H . . 3.850 3.612 3.581 3.681 . 0 0 "[ . 1 .]" 1
374 1 15 ILE HA 1 18 LEU H . . 4.000 3.902 3.841 4.002 0.002 6 0 "[ . 1 .]" 1
375 1 16 PRO HA 1 19 LEU H . . 3.830 3.345 3.224 3.444 . 0 0 "[ . 1 .]" 1
376 1 20 ILE HA 1 23 LEU H . . 3.570 3.521 3.418 3.573 0.003 5 0 "[ . 1 .]" 1
377 1 21 VAL HA 1 24 SER H . . 3.540 3.501 3.429 3.542 0.002 8 0 "[ . 1 .]" 1
378 1 24 SER HA 1 27 SER H . . 4.200 3.948 3.811 4.058 . 0 0 "[ . 1 .]" 1
379 1 36 PRO HA 1 39 VAL H . . 3.930 3.178 2.964 3.365 . 0 0 "[ . 1 .]" 1
380 1 41 LEU HA 1 44 THR H . . 4.050 3.597 3.524 3.677 . 0 0 "[ . 1 .]" 1
381 1 42 GLY QA 1 45 THR H . . 3.710 3.293 3.224 3.344 . 0 0 "[ . 1 .]" 1
382 1 40 GLY HA3 1 43 ILE H . . 4.890 4.893 4.857 4.912 0.022 10 0 "[ . 1 .]" 1
383 1 43 ILE HA 1 46 VAL H . . 3.590 3.594 3.553 3.628 0.038 10 0 "[ . 1 .]" 1
384 1 45 THR HA 1 48 THR H . . 3.800 3.574 3.520 3.624 . 0 0 "[ . 1 .]" 1
385 1 46 VAL HA 1 49 LEU H . . 3.430 3.465 3.438 3.494 0.064 1 0 "[ . 1 .]" 1
386 1 49 LEU HA 1 52 GLN H . . 3.890 3.748 3.647 3.808 . 0 0 "[ . 1 .]" 1
387 1 50 THR HA 1 53 SER H . . 3.360 3.361 3.302 3.381 0.021 10 0 "[ . 1 .]" 1
388 1 66 VAL HA 1 69 ILE H . . 3.400 3.420 3.400 3.453 0.053 10 0 "[ . 1 .]" 1
389 1 67 LYS HA 1 70 ASP H . . 3.500 3.517 3.503 3.547 0.047 10 0 "[ . 1 .]" 1
390 1 68 ALA HA 1 71 ILE H . . 3.540 3.466 3.361 3.552 0.012 15 0 "[ . 1 .]" 1
391 1 74 ALA HA 1 77 LEU H . . 3.770 3.262 2.827 3.771 0.001 13 0 "[ . 1 .]" 1
392 1 76 CYS HA 1 79 PHE H . . 3.950 3.557 3.261 3.761 . 0 0 "[ . 1 .]" 1
393 1 80 VAL HA 1 83 ALA H . . 3.970 3.464 3.273 3.681 . 0 0 "[ . 1 .]" 1
394 1 77 LEU HA 1 80 VAL HB . . 3.860 3.786 3.539 3.864 0.004 14 0 "[ . 1 .]" 1
395 1 78 LEU HA 1 81 PHE H . . 3.890 3.361 3.198 3.440 . 0 0 "[ . 1 .]" 1
396 1 82 SER HA 1 85 LEU H . . 3.870 3.517 3.363 3.598 . 0 0 "[ . 1 .]" 1
397 1 83 ALA HA 1 86 GLU H . . 3.890 3.607 3.555 3.708 . 0 0 "[ . 1 .]" 1
398 1 84 LEU HA 1 87 TYR H . . 3.380 3.364 3.262 3.384 0.004 15 0 "[ . 1 .]" 1
399 1 85 LEU HA 1 88 ALA H . . 4.050 3.712 3.656 3.785 . 0 0 "[ . 1 .]" 1
400 1 86 GLU HA 1 89 ALA H . . 3.700 3.236 3.161 3.306 . 0 0 "[ . 1 .]" 1
401 1 87 TYR HA 1 90 VAL H . . 4.870 4.034 3.940 4.240 . 0 0 "[ . 1 .]" 1
402 1 88 ALA HA 1 91 ASN H . . 3.790 3.602 3.469 3.790 0.000 8 0 "[ . 1 .]" 1
403 1 89 ALA HA 1 92 PHE H . . 3.990 3.218 3.098 3.374 . 0 0 "[ . 1 .]" 1
404 1 65 TYR HA 1 68 ALA H . . 3.660 3.591 3.463 3.678 0.018 11 0 "[ . 1 .]" 1
405 1 11 ILE HA 1 14 TYR H . . 3.990 3.496 3.460 3.512 . 0 0 "[ . 1 .]" 1
406 1 15 ILE HA 1 18 LEU QB . . 4.050 3.316 3.128 3.591 . 0 0 "[ . 1 .]" 1
407 1 19 LEU HA 1 22 ILE H . . 4.010 3.648 3.505 3.872 . 0 0 "[ . 1 .]" 1
408 1 21 VAL HA 1 24 SER QB . . 2.590 2.538 2.326 2.594 0.004 15 0 "[ . 1 .]" 1
409 1 47 LEU HA 1 50 THR H . . 3.630 3.629 3.520 3.661 0.031 12 0 "[ . 1 .]" 1
410 1 49 LEU HA 1 52 GLN QB . . 3.780 2.967 2.865 3.134 . 0 0 "[ . 1 .]" 1
411 1 50 THR HA 1 53 SER QB . . 2.590 2.401 2.215 2.536 . 0 0 "[ . 1 .]" 1
412 1 65 TYR HA 1 68 ALA MB . . 4.150 2.646 2.248 3.205 . 0 0 "[ . 1 .]" 1
413 1 70 ASP HA 1 73 LEU H . . 4.010 3.943 3.677 4.030 0.020 12 0 "[ . 1 .]" 1
414 1 80 VAL HA 1 83 ALA MB . . 3.520 2.495 2.166 2.820 . 0 0 "[ . 1 .]" 1
415 1 81 PHE HA 1 84 LEU H . . 3.940 3.522 3.268 3.896 . 0 0 "[ . 1 .]" 1
416 1 88 ALA HA 1 91 ASN QB . . 4.010 3.040 2.606 3.506 . 0 0 "[ . 1 .]" 1
417 1 7 GLY QA 1 11 ILE H . . 3.980 3.989 3.980 4.025 0.045 12 0 "[ . 1 .]" 1
418 1 10 LEU HA 1 14 TYR H . . 4.020 4.035 4.025 4.077 0.057 12 0 "[ . 1 .]" 1
419 1 11 ILE HA 1 15 ILE H . . 4.530 4.527 4.481 4.560 0.030 12 0 "[ . 1 .]" 1
420 1 14 TYR HA 1 18 LEU H . . 3.940 3.886 3.775 3.943 0.003 12 0 "[ . 1 .]" 1
421 1 16 PRO HA 1 20 ILE H . . 3.920 3.924 3.920 3.929 0.009 6 0 "[ . 1 .]" 1
422 1 17 SER HA 1 21 VAL H . . 4.670 4.590 4.434 4.674 0.004 11 0 "[ . 1 .]" 1
423 1 19 LEU HA 1 23 LEU H . . 4.530 4.517 4.397 4.547 0.017 7 0 "[ . 1 .]" 1
424 1 37 ALA HA 1 41 LEU H . . 5.240 4.376 4.215 4.551 . 0 0 "[ . 1 .]" 1
425 1 39 VAL HA 1 43 ILE H . . 4.050 4.045 3.804 4.087 0.037 10 0 "[ . 1 .]" 1
426 1 40 GLY QA 1 44 THR H . . 4.140 4.141 4.099 4.167 0.027 7 0 "[ . 1 .]" 1
427 1 42 GLY QA 1 46 VAL H . . 4.460 4.262 4.221 4.312 . 0 0 "[ . 1 .]" 1
428 1 47 LEU HA 1 51 THR H . . 4.070 3.983 3.741 4.071 0.001 1 0 "[ . 1 .]" 1
429 1 64 SER HA 1 68 ALA H . . 5.080 4.077 3.789 4.569 . 0 0 "[ . 1 .]" 1
430 1 64 SER HG 1 68 ALA H . . 4.260 4.138 3.847 4.265 0.005 13 0 "[ . 1 .]" 1
431 1 71 ILE HA 1 75 VAL H . . 5.000 4.374 3.149 5.003 0.003 10 0 "[ . 1 .]" 1
432 1 74 ALA HA 1 78 LEU H . . 4.060 3.855 3.276 4.064 0.004 10 0 "[ . 1 .]" 1
433 1 75 VAL HA 1 79 PHE H . . 5.000 4.373 3.787 5.001 0.001 15 0 "[ . 1 .]" 1
434 1 79 PHE HA 1 83 ALA H . . 5.000 4.717 4.414 5.004 0.004 5 0 "[ . 1 .]" 1
435 1 80 VAL HA 1 84 LEU H . . 4.560 4.011 3.605 4.222 . 0 0 "[ . 1 .]" 1
436 1 81 PHE HA 1 85 LEU H . . 4.480 4.389 4.129 4.483 0.003 11 0 "[ . 1 .]" 1
437 1 83 ALA HA 1 87 TYR H . . 4.270 4.273 4.270 4.278 0.008 12 0 "[ . 1 .]" 1
438 1 84 LEU HA 1 88 ALA H . . 4.510 4.367 4.221 4.454 . 0 0 "[ . 1 .]" 1
439 1 88 ALA HA 1 92 PHE H . . 4.900 4.539 4.235 4.709 . 0 0 "[ . 1 .]" 1
440 1 96 GLN QE 1 100 GLY H . . 4.120 4.046 3.837 4.120 0.000 10 0 "[ . 1 .]" 1
441 1 8 TYR HA 1 12 GLN H . . 4.450 4.448 4.337 4.479 0.029 7 0 "[ . 1 .]" 1
442 1 15 ILE HA 1 19 LEU H . . 4.520 4.504 4.387 4.541 0.021 7 0 "[ . 1 .]" 1
443 1 23 LEU HA 1 27 SER H . . 5.000 3.911 3.706 4.234 . 0 0 "[ . 1 .]" 1
444 1 45 THR HA 1 49 LEU H . . 4.340 4.070 3.972 4.200 . 0 0 "[ . 1 .]" 1
445 1 49 LEU HA 1 53 SER H . . 4.740 4.123 3.958 4.380 . 0 0 "[ . 1 .]" 1
446 1 82 SER HA 1 86 GLU H . . 4.710 4.651 4.361 4.714 0.004 15 0 "[ . 1 .]" 1
447 1 86 GLU HA 1 90 VAL H . . 4.630 4.325 4.058 4.444 . 0 0 "[ . 1 .]" 1
448 1 44 THR HA 1 48 THR H . . 4.070 4.092 4.072 4.116 0.046 14 0 "[ . 1 .]" 1
449 1 71 ILE QG 1 74 ALA MB . . 5.000 4.771 4.256 5.009 0.009 8 0 "[ . 1 .]" 1
450 1 84 LEU QD 1 85 LEU H . . 4.090 3.314 2.812 3.970 . 0 0 "[ . 1 .]" 1
451 1 78 LEU QD 1 79 PHE H . . 4.300 4.171 4.096 4.301 0.001 8 0 "[ . 1 .]" 1
452 1 79 PHE H 1 79 PHE QB . . 3.840 2.133 2.093 2.194 . 0 0 "[ . 1 .]" 1
453 1 67 LYS H 1 67 LYS QB . . 3.710 2.142 2.041 2.328 . 0 0 "[ . 1 .]" 1
454 1 66 VAL HB 1 67 LYS H . . 4.070 2.597 2.206 3.592 . 0 0 "[ . 1 .]" 1
455 1 77 LEU H 1 77 LEU QD . . 3.790 3.683 2.685 3.789 . 0 0 "[ . 1 .]" 1
456 1 44 THR HA 1 47 LEU H . . 4.050 3.457 3.384 3.516 . 0 0 "[ . 1 .]" 1
457 1 77 LEU H 1 77 LEU QB . . 3.470 2.232 2.113 2.658 . 0 0 "[ . 1 .]" 1
458 1 97 ARG H 1 97 ARG QG . . 3.820 3.148 2.048 3.820 . 0 0 "[ . 1 .]" 1
459 1 43 ILE H 1 43 ILE QG . . 4.050 3.390 1.987 4.051 0.001 11 0 "[ . 1 .]" 1
460 1 51 THR MG 1 52 GLN H . . 3.840 3.700 3.458 3.830 . 0 0 "[ . 1 .]" 1
461 1 31 ASN HA 1 35 ALA H . . 4.070 2.178 2.078 2.726 . 0 0 "[ . 1 .]" 1
462 1 52 GLN H 1 52 GLN QG . . 4.090 4.033 3.942 4.075 . 0 0 "[ . 1 .]" 1
463 1 84 LEU H 1 84 LEU QD . . 3.910 3.640 3.486 3.758 . 0 0 "[ . 1 .]" 1
464 1 55 GLY QA 1 57 ARG H . . 3.870 3.678 3.351 3.939 0.069 7 0 "[ . 1 .]" 1
465 1 57 ARG H 1 57 ARG QG . . 3.440 2.600 1.959 3.104 . 0 0 "[ . 1 .]" 1
466 1 56 SER QB 1 57 ARG H . . 3.620 3.042 2.540 3.348 . 0 0 "[ . 1 .]" 1
467 1 54 SER QB 1 55 GLY H . . 3.960 3.620 3.316 3.874 . 0 0 "[ . 1 .]" 1
468 1 51 THR H 1 51 THR HB . . 4.050 2.510 2.378 2.612 . 0 0 "[ . 1 .]" 1
469 1 51 THR H 1 51 THR MG . . 3.800 3.763 3.733 3.771 . 0 0 "[ . 1 .]" 1
470 1 58 ALA MB 1 59 SER H . . 3.410 3.010 2.958 3.049 . 0 0 "[ . 1 .]" 1
471 1 52 GLN QG 1 53 SER H . . 4.440 4.241 4.050 4.381 . 0 0 "[ . 1 .]" 1
472 1 56 SER H 1 57 ARG QG . . 4.420 4.035 3.239 4.422 0.002 12 0 "[ . 1 .]" 1
473 1 55 GLY QA 1 56 SER H . . 3.020 2.715 2.591 2.906 . 0 0 "[ . 1 .]" 1
474 1 54 SER H 1 54 SER QB . . 3.010 2.452 2.107 3.009 . 0 0 "[ . 1 .]" 1
475 1 75 VAL H 1 75 VAL HB . . 3.940 2.866 2.391 3.637 . 0 0 "[ . 1 .]" 1
476 1 46 VAL H 1 46 VAL HB . . 3.820 2.567 2.440 2.723 . 0 0 "[ . 1 .]" 1
477 1 90 VAL H 1 90 VAL HB . . 3.750 2.528 2.336 2.674 . 0 0 "[ . 1 .]" 1
478 1 15 ILE H 1 15 ILE HB . . 4.000 2.259 2.258 2.264 . 0 0 "[ . 1 .]" 1
479 1 38 ARG H 1 38 ARG QG . . 4.660 3.116 1.934 4.012 . 0 0 "[ . 1 .]" 1
480 1 31 ASN H 1 31 ASN QB . . 3.800 2.459 2.170 2.566 . 0 0 "[ . 1 .]" 1
481 1 81 PHE H 1 82 SER H . . 3.930 2.600 2.500 2.692 . 0 0 "[ . 1 .]" 1
482 1 79 PHE H 1 81 PHE H . . 3.990 3.698 3.568 3.752 . 0 0 "[ . 1 .]" 1
483 1 57 ARG QB 1 59 SER H . . 4.790 4.794 4.771 4.807 0.017 3 0 "[ . 1 .]" 1
484 1 51 THR H 1 53 SER H . . 4.140 3.916 3.839 3.993 . 0 0 "[ . 1 .]" 1
485 1 29 TRP H 1 31 ASN QB . . 5.330 4.829 4.564 5.006 . 0 0 "[ . 1 .]" 1
486 1 38 ARG H 1 39 VAL HB . . 4.900 4.667 4.418 4.904 0.004 5 0 "[ . 1 .]" 1
487 1 57 ARG H 1 58 ALA MB . . 4.560 4.149 3.924 4.367 . 0 0 "[ . 1 .]" 1
488 1 34 ALA MB 1 35 ALA H . . 3.820 2.643 2.616 2.750 . 0 0 "[ . 1 .]" 1
489 1 31 ASN HA 1 34 ALA MB . . 4.250 3.866 3.781 4.255 0.005 7 0 "[ . 1 .]" 1
490 1 88 ALA H 1 88 ALA MB . . 3.540 2.318 2.235 2.418 . 0 0 "[ . 1 .]" 1
491 1 58 ALA MB 1 59 SER QB . . 4.780 4.332 3.920 4.760 . 0 0 "[ . 1 .]" 1
492 1 12 GLN HA 1 15 ILE MD . . 5.010 4.739 2.539 5.019 0.009 7 0 "[ . 1 .]" 1
493 1 57 ARG HA 1 57 ARG QD . . 4.590 3.228 1.991 4.006 . 0 0 "[ . 1 .]" 1
494 1 38 ARG HA 1 39 VAL QG . . 4.920 4.733 4.612 4.841 . 0 0 "[ . 1 .]" 1
495 1 38 ARG HA 1 41 LEU QD . . 3.540 2.881 2.201 3.257 . 0 0 "[ . 1 .]" 1
496 1 85 LEU QB 1 86 GLU HA . . 4.340 3.904 3.847 4.048 . 0 0 "[ . 1 .]" 1
497 1 6 LEU HA 1 6 LEU QD . . 3.580 2.364 1.984 2.947 . 0 0 "[ . 1 .]" 1
498 1 56 SER QB 1 57 ARG QG . . 4.860 4.106 3.335 4.864 0.004 7 0 "[ . 1 .]" 1
499 1 57 ARG H 1 57 ARG QD . . 4.480 3.634 2.879 4.231 . 0 0 "[ . 1 .]" 1
500 1 57 ARG QD 1 58 ALA H . . 5.170 5.060 4.515 5.178 0.008 13 0 "[ . 1 .]" 1
501 1 56 SER QB 1 57 ARG QD . . 5.040 4.477 2.636 5.057 0.017 10 0 "[ . 1 .]" 1
502 1 43 ILE H 1 43 ILE MG . . 4.060 2.341 1.934 3.752 . 0 0 "[ . 1 .]" 1
503 1 85 LEU H 1 85 LEU MD2 . . 4.300 4.028 2.577 4.299 . 0 0 "[ . 1 .]" 1
504 1 30 ILE MG 1 31 ASN H . . 3.980 2.211 1.997 2.268 . 0 0 "[ . 1 .]" 1
505 1 87 TYR H 1 88 ALA MB . . 4.410 4.183 4.127 4.244 . 0 0 "[ . 1 .]" 1
506 1 33 ASP H 1 34 ALA H . . 3.930 1.863 1.855 1.878 . 0 0 "[ . 1 .]" 1
507 1 50 THR H 1 53 SER H . . 4.790 4.418 4.351 4.544 . 0 0 "[ . 1 .]" 1
508 1 88 ALA H 1 90 VAL QG . . 4.670 4.522 4.362 4.616 . 0 0 "[ . 1 .]" 1
509 1 56 SER QB 1 58 ALA H . . 4.400 3.482 2.156 4.425 0.025 9 0 "[ . 1 .]" 1
510 1 8 TYR H 1 10 LEU QB . . 4.990 4.738 4.622 5.003 0.013 4 0 "[ . 1 .]" 1
511 1 11 ILE H 1 11 ILE HB . . 3.820 2.420 2.371 2.435 . 0 0 "[ . 1 .]" 1
512 1 85 LEU QB 1 86 GLU H . . 3.780 2.854 2.754 2.907 . 0 0 "[ . 1 .]" 1
513 1 51 THR HB 1 52 GLN H . . 3.810 2.936 2.825 3.024 . 0 0 "[ . 1 .]" 1
514 1 46 VAL H 1 47 LEU QD . . 4.790 4.520 4.153 4.761 . 0 0 "[ . 1 .]" 1
515 1 89 ALA H 1 90 VAL HB . . 5.010 4.781 4.669 4.899 . 0 0 "[ . 1 .]" 1
516 1 22 ILE QG 1 23 LEU H . . 4.250 3.969 2.165 4.255 0.005 14 0 "[ . 1 .]" 1
517 1 42 GLY H 1 45 THR H . . 4.950 4.785 4.751 4.832 . 0 0 "[ . 1 .]" 1
518 1 51 THR MG 1 54 SER H . . 4.850 4.780 4.565 4.858 0.008 11 0 "[ . 1 .]" 1
519 1 78 LEU H 1 78 LEU QD . . 4.610 3.277 3.032 3.474 . 0 0 "[ . 1 .]" 1
520 1 38 ARG H 1 41 LEU QD . . 4.830 4.527 4.356 4.828 . 0 0 "[ . 1 .]" 1
521 1 57 ARG QB 1 58 ALA H . . 3.790 3.669 3.650 3.711 . 0 0 "[ . 1 .]" 1
522 1 52 GLN QB 1 53 SER H . . 4.040 2.925 2.817 3.053 . 0 0 "[ . 1 .]" 1
523 1 45 THR H 1 46 VAL HB . . 5.010 4.709 4.547 4.895 . 0 0 "[ . 1 .]" 1
524 1 86 GLU H 1 88 ALA MB . . 5.030 4.584 4.494 4.724 . 0 0 "[ . 1 .]" 1
525 1 38 ARG HA 1 41 LEU H . . 4.060 3.808 3.560 4.049 . 0 0 "[ . 1 .]" 1
526 1 41 LEU H 1 42 GLY QA . . 4.340 4.335 4.307 4.355 0.015 14 0 "[ . 1 .]" 1
527 1 84 LEU H 1 85 LEU QB . . 4.500 4.081 4.037 4.134 . 0 0 "[ . 1 .]" 1
528 1 22 ILE H 1 22 ILE QG . . 4.210 2.573 2.095 3.972 . 0 0 "[ . 1 .]" 1
529 1 22 ILE H 1 22 ILE MG . . 4.040 3.372 1.921 3.763 . 0 0 "[ . 1 .]" 1
530 1 22 ILE H 1 22 ILE HB . . 4.140 2.498 2.315 3.615 . 0 0 "[ . 1 .]" 1
531 1 83 ALA H 1 85 LEU QB . . 5.050 4.911 4.835 4.988 . 0 0 "[ . 1 .]" 1
532 1 30 ILE H 1 31 ASN QB . . 4.570 4.021 3.717 4.204 . 0 0 "[ . 1 .]" 1
533 1 45 THR HA 1 47 LEU H . . 4.460 4.477 4.423 4.518 0.058 1 0 "[ . 1 .]" 1
534 1 54 SER H 1 55 GLY QA . . 4.320 4.161 3.816 4.321 0.001 2 0 "[ . 1 .]" 1
535 1 38 ARG H 1 38 ARG QD . . 4.150 4.007 3.517 4.181 0.031 6 0 "[ . 1 .]" 1
536 1 95 ARG H 1 97 ARG H . . 5.000 4.124 3.155 5.031 0.031 14 0 "[ . 1 .]" 1
537 1 5 GLN H 1 7 GLY H . . 4.760 4.356 4.184 4.582 . 0 0 "[ . 1 .]" 1
538 1 5 GLN H 1 6 LEU QD . . 4.710 4.519 4.023 4.717 0.007 14 0 "[ . 1 .]" 1
539 1 89 ALA H 1 90 VAL QG . . 3.930 3.879 3.789 3.948 0.018 4 0 "[ . 1 .]" 1
540 1 60 LEU QB 1 63 VAL H . . 4.540 3.979 3.256 4.551 0.011 6 0 "[ . 1 .]" 1
541 1 18 LEU H 1 18 LEU QD . . 3.850 3.394 2.510 3.772 . 0 0 "[ . 1 .]" 1
542 1 2 LEU HA 1 5 GLN H . . 4.020 3.529 3.038 4.021 0.001 9 0 "[ . 1 .]" 1
543 1 90 VAL H 1 90 VAL QG . . 3.570 2.153 1.956 2.413 . 0 0 "[ . 1 .]" 1
544 1 75 VAL H 1 75 VAL QG . . 3.620 2.098 1.844 2.493 . 0 0 "[ . 1 .]" 1
545 1 6 LEU H 1 6 LEU QD . . 3.670 3.394 2.895 3.626 . 0 0 "[ . 1 .]" 1
546 1 47 LEU H 1 47 LEU QD . . 3.610 3.025 2.667 3.262 . 0 0 "[ . 1 .]" 1
547 1 22 ILE MG 1 23 LEU H . . 3.770 3.062 2.033 3.849 0.079 15 0 "[ . 1 .]" 1
548 1 62 LYS H 1 62 LYS QD . . 4.760 4.007 2.084 4.751 . 0 0 "[ . 1 .]" 1
549 1 85 LEU H 1 85 LEU MD1 . . 4.300 3.509 2.671 4.191 . 0 0 "[ . 1 .]" 1
550 1 29 TRP HA 1 31 ASN H . . 4.730 4.821 4.770 4.849 0.119 13 0 "[ . 1 .]" 1
551 1 32 LEU H 1 32 LEU QD . . 3.730 3.590 3.516 3.694 . 0 0 "[ . 1 .]" 1
552 1 38 ARG H 1 39 VAL QG . . 4.200 4.192 4.017 4.231 0.031 8 0 "[ . 1 .]" 1
553 1 32 LEU QD 1 33 ASP H . . 4.030 3.027 2.822 3.578 . 0 0 "[ . 1 .]" 1
554 1 8 TYR H 1 10 LEU QD . . 4.680 4.540 4.312 4.681 0.001 2 0 "[ . 1 .]" 1
555 1 54 SER HA 1 56 SER H . . 4.260 4.147 3.717 4.281 0.021 7 0 "[ . 1 .]" 1
556 1 60 LEU H 1 60 LEU HG . . 3.610 3.110 2.587 3.686 0.076 15 0 "[ . 1 .]" 1
557 1 60 LEU H 1 60 LEU QB . . 3.530 3.163 2.126 3.361 . 0 0 "[ . 1 .]" 1
558 1 50 THR HA 1 52 GLN H . . 4.410 4.170 4.067 4.245 . 0 0 "[ . 1 .]" 1
559 1 12 GLN H 1 15 ILE H . . 5.340 5.022 4.973 5.133 . 0 0 "[ . 1 .]" 1
560 1 41 LEU H 1 41 LEU QB . . 3.210 2.197 2.117 2.461 . 0 0 "[ . 1 .]" 1
561 1 41 LEU H 1 41 LEU QD . . 3.560 3.258 2.979 3.421 . 0 0 "[ . 1 .]" 1
562 1 41 LEU H 1 41 LEU HG . . 3.540 3.134 2.428 3.500 . 0 0 "[ . 1 .]" 1
563 1 49 LEU QD 1 50 THR H . . 4.450 4.063 3.256 4.313 . 0 0 "[ . 1 .]" 1
564 1 49 LEU H 1 49 LEU QD . . 3.610 3.317 2.329 3.489 . 0 0 "[ . 1 .]" 1
565 1 56 SER QB 1 59 SER H . . 5.110 4.603 3.865 5.160 0.050 3 0 "[ . 1 .]" 1
566 1 2 LEU QB 1 5 GLN H . . 4.040 3.754 3.282 4.040 . 6 0 "[ . 1 .]" 1
567 1 49 LEU H 1 49 LEU QB . . 3.260 2.189 2.155 2.266 . 0 0 "[ . 1 .]" 1
568 1 63 VAL H 1 63 VAL HB . . 3.960 2.641 2.275 3.628 . 0 0 "[ . 1 .]" 1
569 1 38 ARG QG 1 39 VAL H . . 4.030 4.000 3.869 4.051 0.021 13 0 "[ . 1 .]" 1
570 1 5 GLN QB 1 6 LEU H . . 3.810 3.383 2.871 3.621 . 0 0 "[ . 1 .]" 1
571 1 6 LEU H 1 7 GLY H . . 4.020 2.322 2.307 2.421 . 0 0 "[ . 1 .]" 1
572 1 6 LEU H 1 6 LEU QB . . 3.790 2.201 2.070 2.444 . 0 0 "[ . 1 .]" 1
573 1 7 GLY QA 1 10 LEU H . . 4.140 3.114 3.090 3.171 . 0 0 "[ . 1 .]" 1
574 1 10 LEU H 1 10 LEU QD . . 3.870 2.834 2.235 3.364 . 0 0 "[ . 1 .]" 1
575 1 40 GLY QA 1 41 LEU H . . 3.550 2.837 2.821 2.851 . 0 0 "[ . 1 .]" 1
576 1 60 LEU H 1 60 LEU HA . . 2.850 2.619 2.272 2.901 0.051 11 0 "[ . 1 .]" 1
577 1 45 THR H 1 46 VAL QG . . 3.720 3.671 3.538 3.779 0.059 1 0 "[ . 1 .]" 1
578 1 46 VAL H 1 46 VAL QG . . 3.510 2.148 1.907 2.376 . 0 0 "[ . 1 .]" 1
579 1 46 VAL QG 1 47 LEU H . . 3.730 2.704 2.115 3.210 . 0 0 "[ . 1 .]" 1
580 1 60 LEU H 1 60 LEU QD . . 3.250 2.923 2.417 3.249 . 0 0 "[ . 1 .]" 1
581 1 60 LEU QD 1 62 LYS H . . 4.310 3.865 3.141 4.311 0.001 11 0 "[ . 1 .]" 1
582 1 66 VAL H 1 66 VAL QG . . 4.060 2.273 1.855 2.674 . 0 0 "[ . 1 .]" 1
583 1 66 VAL QG 1 67 LYS H . . 4.030 2.995 2.018 3.364 . 0 0 "[ . 1 .]" 1
584 1 85 LEU H 1 85 LEU QD . . 3.700 3.184 2.553 3.688 . 0 0 "[ . 1 .]" 1
585 1 1 MET H1 1 76 CYS HG . . 26.350 28.312 26.351 31.140 4.790 3 13 "[* +****- ******]" 1
586 1 3 GLU H 1 76 CYS HG . . 24.600 24.954 24.594 25.795 1.195 3 4 "[ + . 1 -**.]" 1
587 1 5 GLN H 1 76 CYS HG . . 22.360 24.374 23.768 24.974 2.614 13 15 [******-*****+**] 1
588 1 6 LEU H 1 76 CYS HG . . 20.200 22.352 21.673 22.921 2.721 13 15 [******-*****+**] 1
589 1 7 GLY H 1 76 CYS HG . . 18.300 20.920 20.238 21.563 3.263 13 15 [******-*****+**] 1
590 1 28 PHE H 1 76 CYS HG . . 19.780 19.942 19.771 20.332 0.552 7 1 "[ . + 1 .]" 1
591 1 29 TRP H 1 76 CYS HG . . 18.210 21.831 21.493 22.309 4.099 4 15 [***+*******-***] 1
592 1 31 ASN H 1 76 CYS HG . . 22.840 23.112 22.999 23.324 0.484 3 0 "[ . 1 .]" 1
593 1 34 ALA H 1 76 CYS HG . . 25.680 25.901 25.671 26.586 0.906 3 3 "[ + . - 1 *.]" 1
594 1 63 VAL H 1 76 CYS HG . . 19.960 20.100 19.945 20.548 0.588 1 2 "[+ -. 1 .]" 1
595 1 76 CYS HG 1 90 VAL H . . 21.280 21.389 21.271 21.721 0.441 4 0 "[ . 1 .]" 1
596 1 76 CYS HG 1 91 ASN H . . 21.780 22.153 21.871 22.523 0.743 8 4 "[ *-* + 1 .]" 1
597 1 76 CYS HG 1 92 PHE H . . 19.870 23.195 23.081 23.286 3.416 10 15 [**-******+*****] 1
598 1 76 CYS HG 1 93 VAL H . . 25.480 25.481 25.470 25.552 0.072 7 0 "[ . 1 .]" 1
599 1 76 CYS HG 1 95 ARG H . . 27.130 27.729 27.130 28.073 0.943 9 9 "[ *- . * +**** *]" 1
600 1 76 CYS HG 1 98 GLU H . . 27.750 29.376 27.955 30.987 3.237 14 14 "[***-* *******+*]" 1
601 1 76 CYS HG 1 100 GLY H . . 25.680 32.387 30.849 33.682 8.002 14 15 [***********-*+*] 1
602 1 76 CYS HG 1 101 GLY H . . 30.310 34.599 33.555 35.617 5.307 5 15 [*-**+**********] 1
603 1 76 CYS HG 1 102 GLY H . . 34.450 35.127 34.448 36.155 1.705 15 10 "[*-* * * *1*** +]" 1
604 1 76 CYS HG 1 103 GLY H . . 34.450 35.044 34.455 36.380 1.930 4 6 "[ +** * 1 *-]" 1
605 1 76 CYS HG 1 104 PHE H . . 31.590 34.342 32.851 35.481 3.891 7 15 [******+**-*****] 1
606 1 5 GLN H 1 82 SER HG . . 25.680 33.702 33.685 33.737 8.057 14 15 [*-***********+*] 1
607 1 9 TYR H 1 82 SER HG . . 26.350 29.052 28.598 29.475 3.125 6 15 [*****+*****-***] 1
608 1 12 GLN H 1 82 SER HG . . 22.640 25.960 25.334 26.672 4.032 6 15 [*****+*****-***] 1
609 1 13 LEU H 1 82 SER HG . . 21.560 24.471 23.764 25.294 3.734 6 15 [*****+*****-***] 1
610 1 63 VAL H 1 82 SER HG . . 30.310 31.482 31.000 31.995 1.685 7 15 [*-****+********] 1
611 1 64 SER H 1 82 SER HG . . 25.680 29.415 28.873 29.832 4.152 1 15 [+**********-***] 1
612 1 65 TYR H 1 82 SER HG . . 26.850 28.243 27.411 28.855 2.005 8 15 [*******+*****-*] 1
613 1 66 VAL H 1 82 SER HG . . 24.930 27.384 26.873 27.879 2.949 11 15 [****-*****+****] 1
614 1 67 LYS H 1 82 SER HG . . 24.600 25.740 24.957 26.675 2.075 7 13 "[* ****+ ******-]" 1
615 1 68 ALA H 1 82 SER HG . . 22.740 23.957 23.578 24.317 1.577 7 15 [******+******-*] 1
616 1 69 ILE H 1 82 SER HG . . 21.630 22.844 22.261 23.462 1.832 8 15 [****-**+*******] 1
617 1 70 ASP H 1 82 SER HG . . 19.570 21.307 20.704 22.379 2.809 7 15 [****-*+********] 1
618 1 82 SER HG 1 100 GLY H . . 20.400 23.112 20.399 26.760 6.360 14 8 "[* *** *-* +.]" 1
619 1 82 SER HG 1 101 GLY H . . 23.500 25.377 23.500 28.547 5.047 5 8 "[* *+* * * - *.]" 1
620 1 82 SER HG 1 102 GLY H . . 23.500 25.356 23.864 27.837 4.337 1 14 [+***********-*.] 1
621 1 82 SER HG 1 103 GLY H . . 22.540 25.013 22.873 27.779 5.239 6 14 [**-**+********.] 1
622 1 15 ILE H 1 94 SER HG . . 37.770 43.234 42.564 44.206 6.436 6 15 [**-**+*********] 1
623 1 17 SER H 1 94 SER HG . . 37.770 40.038 39.472 41.194 3.424 6 15 [*****+**-******] 1
624 1 19 LEU H 1 94 SER HG . . 35.870 38.040 37.341 39.161 3.291 6 15 [**-**+*********] 1
625 1 22 ILE H 1 94 SER HG . . 26.590 33.199 32.428 34.410 7.820 5 15 [**-*+**********] 1
626 1 24 SER H 1 94 SER HG . . 25.480 30.551 29.939 31.824 6.344 6 15 [**-**+*********] 1
627 1 25 TRP H 1 94 SER HG . . 27.130 28.043 27.241 29.292 2.162 6 12 "[** **+* ****-*]" 1
628 1 27 SER H 1 94 SER HG . . 24.600 28.083 27.552 29.605 5.005 6 15 [*****+*-*******] 1
629 1 28 PHE H 1 94 SER HG . . 24.150 26.130 25.612 27.675 3.525 5 15 [****+*****-****] 1
630 1 29 TRP H 1 94 SER HG . . 24.150 24.688 24.149 26.325 2.175 5 6 "[* *+* 1 - *]" 1
631 1 74 ALA H 1 94 SER HG . . 26.110 33.860 32.675 34.115 8.005 3 15 [**+*********-**] 1
632 1 77 LEU H 1 94 SER HG . . 29.290 30.534 29.818 31.040 1.750 10 15 [**-******+*****] 1
633 1 81 PHE H 1 94 SER HG . . 24.600 25.198 24.743 25.516 0.916 1 12 "[+ ***** *****-]" 1
634 1 83 ALA H 1 94 SER HG . . 19.610 22.765 22.556 22.985 3.375 14 15 [********-****+*] 1
635 1 84 LEU H 1 94 SER HG . . 20.560 20.911 20.559 21.190 0.630 14 3 "[* - 1 +.]" 1
636 1 4 ARG HE 1 82 SER HG . . 31.590 33.558 31.597 35.243 3.653 4 14 "[** +****-******]" 1
637 1 5 GLN QE 1 76 CYS HG . . 25.680 26.468 25.900 26.990 1.310 13 12 "[****.* **1-*+**]" 1
638 1 5 GLN QE 1 82 SER HG . . 34.450 34.454 34.400 34.572 0.122 8 0 "[ . 1 .]" 1
639 1 12 GLN QE 1 82 SER HG . . 26.110 26.886 26.114 27.735 1.625 6 11 "[** **+***** - .]" 1
640 1 12 GLN QE 1 76 CYS HG . . 23.500 23.572 23.493 24.181 0.681 13 1 "[ . 1 + .]" 1
641 1 76 CYS HG 1 96 GLN QE . . 25.680 30.345 29.089 31.340 5.660 7 15 [*****-+********] 1
642 1 82 SER HG 1 96 GLN QE . . 21.350 22.656 21.351 24.650 3.300 10 7 "[* **- * + *.]" 1
643 1 56 SER H 1 76 CYS HG . . 18.100 19.390 18.094 22.445 4.345 14 5 "[ - . * * * +.]" 1
644 1 57 ARG H 1 76 CYS HG . . 17.600 19.242 17.673 22.150 4.550 12 9 "[ ** . ** * +**-]" 1
645 1 43 ILE H 1 82 SER HG . . 23.500 17.028 15.956 18.338 . 0 0 "[ . 1 .]" 1
646 1 49 LEU H 1 82 SER HG . . 19.100 21.495 21.178 21.808 2.708 5 15 [****+*-********] 1
647 1 50 THR H 1 82 SER HG . . 21.100 21.090 21.081 21.096 . 0 0 "[ . 1 .]" 1
648 1 53 SER H 1 82 SER HG . . 24.100 24.913 24.654 25.224 1.124 14 15 [****-********+*] 1
649 1 57 ARG H 1 82 SER HG . . 28.700 30.661 29.632 32.225 3.525 12 15 [********-**+***] 1
650 1 38 ARG H 1 94 SER HG . . 23.300 29.198 27.172 31.296 7.996 6 15 [*****+****-****] 1
651 1 39 VAL H 1 94 SER HG . . 24.700 28.252 26.554 30.112 5.412 5 15 [****+*****-****] 1
652 1 42 GLY H 1 94 SER HG . . 27.400 31.795 30.352 33.296 5.896 5 15 [****+*****-****] 1
653 1 43 ILE H 1 94 SER HG . . 29.400 30.731 29.569 32.061 2.661 6 13 "[* ***+**-* ****]" 1
654 1 46 VAL H 1 94 SER HG . . 32.700 34.351 33.478 35.464 2.764 6 15 [*-***+*********] 1
655 1 49 LEU H 1 94 SER HG . . 37.000 37.928 36.997 38.939 1.939 6 11 "[* -**+ * * ****]" 1
656 1 7 GLY H 1 94 SER HG . . 40.580 50.947 49.830 51.659 11.079 6 15 [*****+-********] 1
657 1 10 LEU H 1 94 SER HG . . 40.580 47.891 46.886 48.877 8.297 6 15 [*****+-********] 1
658 1 11 ILE H 1 94 SER HG . . 40.580 47.412 46.713 48.290 7.710 6 15 [*****+-********] 1
659 1 65 TYR H 1 94 SER HG . . 40.580 47.654 46.030 48.886 8.306 6 15 [*****+-********] 1
660 1 31 ASN QD 1 94 SER HG . . 23.880 24.853 23.877 26.733 2.853 6 10 "[*****+ * - * *]" 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 82
_Distance_constraint_stats_list.Viol_count 1229
_Distance_constraint_stats_list.Viol_total 9722.136
_Distance_constraint_stats_list.Viol_max 0.813
_Distance_constraint_stats_list.Viol_rms 0.2098
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5269
_Distance_constraint_stats_list.Viol_average_violations_only 0.5274
_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 6 LEU 17.843 0.717 3 14 [**+*.-*********]
1 7 GLY 8.157 0.408 4 0 "[ . 1 .]"
1 8 TYR 22.099 0.789 12 15 [****-******+***]
1 9 TYR 18.550 0.712 10 15 [*********+****-]
1 10 LEU 29.331 0.717 3 15 [**+**********-*]
1 11 ILE 28.473 0.707 7 15 [**-***+********]
1 12 GLN 22.099 0.789 12 15 [****-******+***]
1 13 LEU 38.845 0.715 6 15 [*****+********-]
1 14 TYR 14.578 0.549 4 11 "[** +** **1* *-*]"
1 15 ILE 33.526 0.707 7 15 [******+********]
1 16 PRO 7.926 0.384 12 0 "[ . 1 .]"
1 17 SER 20.295 0.715 6 15 [*****+*****-***]
1 18 LEU 23.218 0.762 7 13 "[-***. +********]"
1 19 LEU 31.028 0.713 6 15 [*****+-********]
1 20 ILE 23.979 0.707 12 14 [***********+*-.]
1 22 ILE 42.487 0.804 7 15 [-*****+********]
1 23 LEU 23.973 0.713 6 15 [*-***+*********]
1 24 SER 16.053 0.707 12 14 [***********+*-.]
1 25 TRP 20.095 0.756 14 15 [***-*********+*]
1 26 ILE 22.359 0.804 7 15 [-*****+********]
1 27 SER 6.155 0.544 7 1 "[ . + 1 .]"
1 29 TRP 20.095 0.756 14 15 [***-*********+*]
1 36 PRO 3.107 0.743 7 1 "[ . + 1 .]"
1 37 ALA 19.435 0.743 10 15 [*********+****-]
1 39 VAL 10.385 0.585 1 2 "[+ . - .]"
1 40 GLY 3.107 0.743 7 1 "[ . + 1 .]"
1 41 LEU 35.594 0.743 10 15 [*-*******+*****]
1 42 GLY 19.475 0.718 15 15 [**-***********+]
1 43 ILE 10.385 0.585 1 2 "[+ . - .]"
1 44 THR 16.217 0.719 7 15 [******+******-*]
1 45 THR 32.744 0.712 1 14 "[+-********* ***]"
1 46 VAL 38.810 0.728 14 15 [-************+*]
1 47 LEU 20.820 0.726 14 15 [-************+*]
1 48 THR 34.639 0.719 7 15 [******+****-***]
1 49 LEU 16.585 0.712 1 14 "[+******-*** ***]"
1 50 THR 19.335 0.728 14 15 [-************+*]
1 51 THR 20.820 0.726 14 15 [-************+*]
1 52 GLN 18.422 0.703 13 15 [***********-+**]
1 62 LYS 18.615 0.813 13 13 "[** -****** *+**]"
1 63 VAL 19.959 0.804 12 14 "[***********+ *-]"
1 64 SER 7.746 0.560 8 1 "[ . + 1 .]"
1 65 TYR 13.737 0.717 15 10 "[** *.* **1*-* +]"
1 66 VAL 18.615 0.813 13 13 "[** -****** *+**]"
1 67 LYS 19.959 0.804 12 14 "[***********+ *-]"
1 68 ALA 7.746 0.560 8 1 "[ . + 1 .]"
1 69 ILE 13.737 0.717 15 10 "[** *.* **1*-* +]"
1 74 ALA 5.934 0.700 13 2 "[ . 1 +-.]"
1 76 CYS 20.264 0.725 15 15 [**********-***+]
1 78 LEU 28.052 0.784 14 15 [*************+*]
1 80 VAL 35.888 0.725 15 15 [-*************+]
1 81 PHE 14.128 0.694 7 8 "[- * + ***** .]"
1 82 SER 22.118 0.784 14 15 [*******-*****+*]
1 83 ALA 16.753 0.588 12 15 [*****-*****+***]
1 84 LEU 31.178 0.707 10 15 [-********+*****]
1 85 LEU 31.394 0.706 15 15 [-*************+]
1 86 GLU 21.788 0.778 6 15 [*****+***-*****]
1 87 TYR 16.753 0.588 12 15 [*****-*****+***]
1 88 ALA 32.557 0.707 10 15 [*********+**-**]
1 89 ALA 33.398 0.710 12 15 [***********+*-*]
1 90 VAL 21.788 0.778 6 15 [*****+***-*****]
1 92 PHE 17.003 0.706 1 15 [+***********-**]
1 93 VAL 16.132 0.710 12 15 [********-**+***]
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 6 LEU O 1 10 LEU H . . 1.800 2.429 2.260 2.517 0.717 3 14 [*-+*.**********] 2
2 1 6 LEU O 1 10 LEU N . . 2.700 3.261 3.093 3.357 0.657 12 12 "[* **.-*****+* *]" 2
3 1 7 GLY O 1 11 ILE H . . 1.800 2.141 2.117 2.208 0.408 4 0 "[ . 1 .]" 2
4 1 7 GLY O 1 11 ILE N . . 2.700 2.903 2.875 2.973 0.273 4 0 "[ . 1 .]" 2
5 1 8 TYR O 1 12 GLN H . . 1.800 2.504 2.499 2.513 0.713 12 15 [****-******+***] 2
6 1 8 TYR O 1 12 GLN N . . 2.700 3.469 3.454 3.489 0.789 12 15 [******-****+***] 2
7 1 9 TYR O 1 13 LEU H . . 1.800 2.504 2.499 2.512 0.712 10 15 [*********+****-] 2
8 1 9 TYR O 1 13 LEU N . . 2.700 3.232 3.216 3.288 0.588 10 15 [*********+****-] 2
9 1 10 LEU O 1 14 TYR H . . 1.800 2.308 2.261 2.349 0.549 4 11 "[** +** **1* *-*]" 2
10 1 10 LEU O 1 14 TYR N . . 2.700 2.958 2.904 3.002 0.302 4 0 "[ . 1 .]" 2
11 1 11 ILE O 1 15 ILE H . . 1.800 2.500 2.478 2.507 0.707 7 15 [******+****-***] 2
12 1 11 ILE O 1 15 ILE N . . 2.700 3.354 3.322 3.377 0.677 12 15 [**-********+***] 2
13 1 13 LEU O 1 17 SER H . . 1.800 2.500 2.448 2.512 0.712 3 15 [**+********-***] 2
14 1 13 LEU O 1 17 SER N . . 2.700 3.353 3.236 3.415 0.715 6 15 [*****+*****-***] 2
15 1 14 TYR O 1 18 LEU H . . 1.800 1.932 1.875 2.000 0.200 13 0 "[ . 1 .]" 2
16 1 14 TYR O 1 18 LEU N . . 2.700 2.774 2.748 2.889 0.189 5 0 "[ . 1 .]" 2
17 1 15 ILE O 1 19 LEU H . . 1.800 2.248 2.150 2.301 0.501 7 1 "[ . + 1 .]" 2
18 1 15 ILE O 1 19 LEU N . . 2.700 3.133 3.000 3.228 0.528 7 1 "[ . + 1 .]" 2
19 1 16 PRO O 1 20 ILE H . . 1.800 2.043 1.967 2.142 0.342 12 0 "[ . 1 .]" 2
20 1 16 PRO O 1 20 ILE N . . 2.700 2.986 2.887 3.084 0.384 12 0 "[ . 1 .]" 2
21 1 18 LEU O 1 22 ILE H . . 1.800 2.452 2.102 2.509 0.709 7 13 "[-***. +********]" 2
22 1 18 LEU O 1 22 ILE N . . 2.700 3.390 3.074 3.462 0.762 7 13 "[-***. +********]" 2
23 1 19 LEU O 1 23 LEU H . . 1.800 2.373 2.296 2.501 0.701 5 14 "[*-**+******* **]" 2
24 1 19 LEU O 1 23 LEU N . . 2.700 3.315 3.239 3.413 0.713 6 15 [*****+******-**] 2
25 1 20 ILE O 1 24 SER H . . 1.800 2.467 2.186 2.507 0.707 12 14 [******-****+**.] 2
26 1 20 ILE O 1 24 SER N . . 2.700 3.103 2.861 3.222 0.522 10 3 "[ . +* -.]" 2
27 1 22 ILE O 1 26 ILE H . . 1.800 2.508 2.502 2.524 0.724 7 15 [-*****+********] 2
28 1 22 ILE O 1 26 ILE N . . 2.700 3.482 3.467 3.504 0.804 7 15 [****-*+********] 2
29 1 23 LEU O 1 27 SER H . . 1.800 2.065 1.948 2.344 0.544 7 1 "[ . + 1 .]" 2
30 1 23 LEU O 1 27 SER N . . 2.700 2.846 2.747 3.125 0.425 7 0 "[ . 1 .]" 2
31 1 25 TRP O 1 29 TRP H . . 1.800 2.534 2.516 2.556 0.756 14 15 [***-*********+*] 2
32 1 25 TRP O 1 29 TRP N . . 2.700 3.306 3.223 3.382 0.682 7 15 [***-**+********] 2
33 1 36 PRO O 1 40 GLY H . . 1.800 1.926 1.817 2.543 0.743 7 1 "[ . + 1 .]" 2
34 1 36 PRO O 1 40 GLY N . . 2.700 2.781 2.728 3.279 0.579 7 1 "[ . + 1 .]" 2
35 1 37 ALA O 1 41 LEU H . . 1.800 2.511 2.413 2.543 0.743 10 15 [*********+-****] 2
36 1 37 ALA O 1 41 LEU N . . 2.700 3.285 3.198 3.315 0.615 7 14 "[******+*** ***-]" 2
37 1 39 VAL O 1 43 ILE H . . 1.800 2.148 1.969 2.385 0.585 1 2 "[+ . - .]" 2
38 1 39 VAL O 1 43 ILE N . . 2.700 3.044 2.882 3.235 0.535 1 2 "[+ . - .]" 2
39 1 41 LEU O 1 45 THR H . . 1.800 2.426 2.270 2.509 0.709 15 14 "[*********-* **+]" 2
40 1 41 LEU O 1 45 THR N . . 2.700 3.151 3.036 3.210 0.510 1 3 "[+- * 1 .]" 2
41 1 42 GLY O 1 46 VAL H . . 1.800 2.505 2.446 2.518 0.718 15 15 [******-*******+] 2
42 1 42 GLY O 1 46 VAL N . . 2.700 3.293 3.185 3.346 0.646 12 14 "[**-*** ****+***]" 2
43 1 44 THR O 1 48 THR H . . 1.800 2.441 2.319 2.519 0.719 7 15 [******+-*******] 2
44 1 44 THR O 1 48 THR N . . 2.700 3.140 3.025 3.228 0.528 5 7 "[****+ * 1 -.]" 2
45 1 45 THR O 1 49 LEU H . . 1.800 2.435 2.297 2.512 0.712 1 14 "[+******-*** ***]" 2
46 1 45 THR O 1 49 LEU N . . 2.700 3.171 3.022 3.304 0.604 1 3 "[+ . *- .]" 2
47 1 46 VAL O 1 50 THR H . . 1.800 2.500 2.408 2.528 0.728 14 15 [**********-**+*] 2
48 1 46 VAL O 1 50 THR N . . 2.700 3.289 3.192 3.350 0.650 14 14 "[-********* **+*]" 2
49 1 47 LEU O 1 51 THR H . . 1.800 2.495 2.407 2.512 0.712 14 15 [-************+*] 2
50 1 47 LEU O 1 51 THR N . . 2.700 3.393 3.293 3.426 0.726 14 15 [-************+*] 2
51 1 48 THR O 1 52 GLN H . . 1.800 2.478 2.347 2.503 0.703 13 15 [****-*******+**] 2
52 1 48 THR O 1 52 GLN N . . 2.700 3.251 3.176 3.319 0.619 2 14 [*+**.******-***] 2
53 1 62 LYS O 1 66 VAL H . . 1.800 2.403 1.950 2.545 0.745 10 12 "[** -**** + ****]" 2
54 1 62 LYS O 1 66 VAL N . . 2.700 3.338 2.909 3.513 0.813 13 13 "[** *-***** *+**]" 2
55 1 63 VAL O 1 67 LYS H . . 1.800 2.447 1.826 2.547 0.747 11 14 "[**********+* *-]" 2
56 1 63 VAL O 1 67 LYS N . . 2.700 3.383 2.750 3.504 0.804 12 14 "[***********+ *-]" 2
57 1 64 SER O 1 68 ALA H . . 1.800 2.113 1.963 2.327 0.527 8 1 "[ . + 1 .]" 2
58 1 64 SER O 1 68 ALA N . . 2.700 2.904 2.748 3.260 0.560 8 1 "[ . + 1 .]" 2
59 1 65 TYR O 1 69 ILE H . . 1.800 2.338 2.050 2.517 0.717 15 10 "[** *.* **1*-* +]" 2
60 1 65 TYR O 1 69 ILE N . . 2.700 3.078 2.749 3.371 0.671 8 5 "[ * .* + 1- *]" 2
61 1 74 ALA O 1 78 LEU H . . 1.800 2.016 1.800 2.500 0.700 13 2 "[ . 1 +-.]" 2
62 1 74 ALA O 1 78 LEU N . . 2.700 2.880 2.747 3.345 0.645 13 1 "[ . 1 + .]" 2
63 1 76 CYS O 1 80 VAL H . . 1.800 2.507 2.502 2.514 0.714 14 15 [********-****+*] 2
64 1 76 CYS O 1 80 VAL N . . 2.700 3.344 3.265 3.425 0.725 15 15 [**********-***+] 2
65 1 78 LEU O 1 82 SER H . . 1.800 2.503 2.495 2.509 0.709 10 15 [*******-*+*****] 2
66 1 78 LEU O 1 82 SER N . . 2.700 3.472 3.439 3.484 0.784 14 15 [******-******+*] 2
67 1 80 VAL O 1 84 LEU H . . 1.800 2.446 2.272 2.505 0.705 10 14 "[-* ******+*****]" 2
68 1 80 VAL O 1 84 LEU N . . 2.700 3.096 2.927 3.247 0.547 5 2 "[ + - .]" 2
69 1 81 PHE O 1 85 LEU H . . 1.800 2.282 1.931 2.494 0.694 7 8 "[- * + ***** .]" 2
70 1 81 PHE O 1 85 LEU N . . 2.700 3.160 2.805 3.392 0.692 7 8 "[- * + ***** .]" 2
71 1 83 ALA O 1 87 TYR H . . 1.800 2.351 2.327 2.373 0.573 15 15 [*-************+] 2
72 1 83 ALA O 1 87 TYR N . . 2.700 3.266 3.203 3.288 0.588 12 15 [*****-*****+***] 2
73 1 84 LEU O 1 88 ALA H . . 1.800 2.485 2.397 2.507 0.707 10 15 [**-******+*****] 2
74 1 84 LEU O 1 88 ALA N . . 2.700 3.052 2.929 3.114 0.414 10 0 "[ . 1 .]" 2
75 1 85 LEU O 1 89 ALA H . . 1.800 2.500 2.466 2.506 0.706 15 15 [*******-******+] 2
76 1 85 LEU O 1 89 ALA N . . 2.700 3.151 3.003 3.211 0.511 15 2 "[ . 1 -+]" 2
77 1 86 GLU O 1 90 VAL H . . 1.800 2.494 2.396 2.504 0.704 11 15 [*********-+****] 2
78 1 86 GLU O 1 90 VAL N . . 2.700 3.459 3.363 3.478 0.778 6 15 [*****+***-*****] 2
79 1 88 ALA O 1 92 PHE H . . 1.800 2.496 2.449 2.506 0.706 1 15 [+*****-********] 2
80 1 88 ALA O 1 92 PHE N . . 2.700 3.137 3.070 3.208 0.508 13 1 "[ . 1 + .]" 2
81 1 89 ALA O 1 93 VAL H . . 1.800 2.504 2.501 2.510 0.710 12 15 [********-**+***] 2
82 1 89 ALA O 1 93 VAL N . . 2.700 3.071 2.892 3.146 0.446 13 0 "[ . 1 .]" 2
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