NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617821 |
5l7m   |
34005 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5l7m
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 843
_Distance_constraint_stats_list.Viol_count 1692
_Distance_constraint_stats_list.Viol_total 2311.327
_Distance_constraint_stats_list.Viol_max 0.287
_Distance_constraint_stats_list.Viol_rms 0.0270
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0683
_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 ILE 0.329 0.223 8 0 "[ . 1 . 2]"
1 2 LEU 0.868 0.223 8 0 "[ . 1 . 2]"
1 3 GLU 0.990 0.223 19 0 "[ . 1 . 2]"
1 4 ALA 0.046 0.041 7 0 "[ . 1 . 2]"
1 6 TYR 0.064 0.064 19 0 "[ . 1 . 2]"
1 7 THR 0.684 0.161 20 0 "[ . 1 . 2]"
1 8 ASN 0.320 0.160 15 0 "[ . 1 . 2]"
1 9 LEU 0.773 0.160 15 0 "[ . 1 . 2]"
1 10 LYS 1.435 0.228 20 0 "[ . 1 . 2]"
1 11 CYS 1.110 0.191 10 0 "[ . 1 . 2]"
1 12 ARG 1.419 0.207 9 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.031 0.031 8 0 "[ . 1 . 2]"
1 16 VAL 1.485 0.142 6 0 "[ . 1 . 2]"
1 17 ILE 4.627 0.254 5 0 "[ . 1 . 2]"
1 18 SER 1.223 0.189 1 0 "[ . 1 . 2]"
1 19 THR 1.852 0.189 1 0 "[ . 1 . 2]"
1 20 VAL 5.577 0.229 7 0 "[ . 1 . 2]"
1 21 VAL 5.567 0.287 3 0 "[ . 1 . 2]"
1 22 GLY 0.412 0.073 17 0 "[ . 1 . 2]"
1 23 LEU 5.430 0.204 12 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 2.638 0.156 20 0 "[ . 1 . 2]"
1 26 ILE 6.133 0.267 8 0 "[ . 1 . 2]"
1 27 ASP 2.526 0.114 8 0 "[ . 1 . 2]"
1 28 ARG 2.365 0.206 20 0 "[ . 1 . 2]"
1 29 ILE 4.466 0.234 4 0 "[ . 1 . 2]"
1 30 GLN 0.565 0.063 1 0 "[ . 1 . 2]"
1 31 VAL 4.960 0.269 12 0 "[ . 1 . 2]"
1 32 THR 0.611 0.123 14 0 "[ . 1 . 2]"
1 33 PRO 0.052 0.031 8 0 "[ . 1 . 2]"
1 34 PRO 0.210 0.084 10 0 "[ . 1 . 2]"
1 35 GLY 0.203 0.084 10 0 "[ . 1 . 2]"
1 37 GLY 0.034 0.025 4 0 "[ . 1 . 2]"
1 38 CYS 0.129 0.049 11 0 "[ . 1 . 2]"
1 40 LYS 0.335 0.093 7 0 "[ . 1 . 2]"
1 41 THR 1.634 0.167 2 0 "[ . 1 . 2]"
1 42 GLU 0.322 0.123 14 0 "[ . 1 . 2]"
1 43 VAL 4.312 0.184 13 0 "[ . 1 . 2]"
1 44 VAL 5.570 0.234 11 0 "[ . 1 . 2]"
1 45 ILE 5.102 0.208 2 0 "[ . 1 . 2]"
1 46 TRP 3.280 0.206 20 0 "[ . 1 . 2]"
1 47 THR 2.847 0.155 1 0 "[ . 1 . 2]"
1 48 LYS 2.819 0.157 7 0 "[ . 1 . 2]"
1 49 MET 1.611 0.180 15 0 "[ . 1 . 2]"
1 50 LYS 0.559 0.138 16 0 "[ . 1 . 2]"
1 51 LYS 3.044 0.155 1 0 "[ . 1 . 2]"
1 52 VAL 5.045 0.234 11 0 "[ . 1 . 2]"
1 53 ILE 7.282 0.272 13 0 "[ . 1 . 2]"
1 54 CYS 1.629 0.144 3 0 "[ . 1 . 2]"
1 55 VAL 6.757 0.173 18 0 "[ . 1 . 2]"
1 56 ASN 0.177 0.052 14 0 "[ . 1 . 2]"
1 57 PRO 2.112 0.209 7 0 "[ . 1 . 2]"
1 58 ARG 0.884 0.231 18 0 "[ . 1 . 2]"
1 59 ALA 3.358 0.178 16 0 "[ . 1 . 2]"
1 60 LYS 0.317 0.186 13 0 "[ . 1 . 2]"
1 61 TRP 5.558 0.287 3 0 "[ . 1 . 2]"
1 62 LEU 14.317 0.209 7 0 "[ . 1 . 2]"
1 63 GLN 1.302 0.110 2 0 "[ . 1 . 2]"
1 64 ARG 1.132 0.166 14 0 "[ . 1 . 2]"
1 65 LEU 12.146 0.234 4 0 "[ . 1 . 2]"
1 66 LEU 3.153 0.180 7 0 "[ . 1 . 2]"
1 67 ARG 0.986 0.174 15 0 "[ . 1 . 2]"
1 68 HIS 0.601 0.124 13 0 "[ . 1 . 2]"
1 69 VAL 3.390 0.214 1 0 "[ . 1 . 2]"
1 70 GLN 0.273 0.078 3 0 "[ . 1 . 2]"
1 71 SER 0.106 0.036 2 0 "[ . 1 . 2]"
1 73 SER 0.392 0.222 10 0 "[ . 1 . 2]"
1 74 LEU 1.851 0.222 10 0 "[ . 1 . 2]"
1 75 SER 0.160 0.044 18 0 "[ . 1 . 2]"
1 76 SER 0.546 0.081 13 0 "[ . 1 . 2]"
1 77 THR 1.755 0.122 18 0 "[ . 1 . 2]"
1 78 PRO 1.469 0.133 8 0 "[ . 1 . 2]"
1 79 GLN 2.115 0.243 3 0 "[ . 1 . 2]"
1 80 ALA 1.276 0.210 16 0 "[ . 1 . 2]"
1 81 PRO 1.281 0.121 3 0 "[ . 1 . 2]"
1 82 VAL 3.837 0.214 19 0 "[ . 1 . 2]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LYS 0.226 0.058 16 0 "[ . 1 . 2]"
1 85 ARG 1.220 0.196 7 0 "[ . 1 . 2]"
1 86 ARG 0.643 0.064 17 0 "[ . 1 . 2]"
1 87 ALA 0.352 0.064 17 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 1 ILE HA 1 2 LEU H 2.580 2.060 3.360 2.363 2.162 3.583 0.223 8 0 "[ . 1 . 2]" 1
2 1 1 ILE HB 1 2 LEU H 3.890 2.490 5.980 3.885 2.384 4.519 0.106 8 0 "[ . 1 . 2]" 1
3 1 2 LEU HA 1 3 GLU H 2.680 2.090 3.570 2.390 2.149 3.407 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLU H 1 3 GLU HB2 3.200 2.270 4.590 3.215 2.357 3.880 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLU H 1 3 GLU HB3 3.200 2.270 4.590 3.166 2.505 3.676 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLU HA 1 4 ALA H 2.620 2.070 3.440 2.293 2.171 2.506 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLU HB3 1 4 ALA H 3.560 2.390 5.320 3.775 2.632 4.535 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLU HB2 1 4 ALA H 3.560 2.390 5.320 3.392 2.349 4.571 0.041 7 0 "[ . 1 . 2]" 1
9 1 4 ALA H 1 4 ALA MB 2.710 2.100 3.620 2.395 2.223 2.999 . 0 0 "[ . 1 . 2]" 1
10 1 6 TYR QD 1 7 THR H 3.820 2.470 5.840 4.104 3.036 4.758 . 0 0 "[ . 1 . 2]" 1
11 1 6 TYR HB2 1 7 THR H 4.140 2.580 6.480 3.901 2.516 4.642 0.064 19 0 "[ . 1 . 2]" 1
12 1 6 TYR HB3 1 7 THR H 4.140 2.580 6.480 3.755 2.762 4.467 . 0 0 "[ . 1 . 2]" 1
13 1 7 THR H 1 7 THR MG 3.420 2.340 5.040 2.834 2.179 3.953 0.161 20 0 "[ . 1 . 2]" 1
14 1 7 THR MG 1 8 ASN H 4.000 2.530 6.200 3.710 2.953 4.332 . 0 0 "[ . 1 . 2]" 1
15 1 7 THR HB 1 8 ASN H 4.060 2.560 6.320 3.997 2.727 4.515 . 0 0 "[ . 1 . 2]" 1
16 1 9 LEU H 1 9 LEU HB2 3.440 2.340 5.080 2.844 2.326 3.780 0.014 13 0 "[ . 1 . 2]" 1
17 1 9 LEU H 1 9 LEU HB3 3.440 2.340 5.080 3.266 2.365 4.144 . 0 0 "[ . 1 . 2]" 1
18 1 10 LYS H 1 11 CYS H 3.970 2.520 6.140 4.424 3.526 4.690 . 0 0 "[ . 1 . 2]" 1
19 1 75 SER HA 1 76 SER H 2.980 2.190 4.160 2.352 2.151 3.144 0.039 5 0 "[ . 1 . 2]" 1
20 1 76 SER HA 1 77 THR H 3.120 2.240 4.440 2.429 2.159 3.599 0.081 13 0 "[ . 1 . 2]" 1
21 1 78 PRO HA 1 79 GLN H 2.520 2.040 3.240 2.293 2.126 2.677 . 0 0 "[ . 1 . 2]" 1
22 1 79 GLN H 1 79 GLN HG2 4.560 2.720 7.320 3.742 2.477 4.704 0.243 3 0 "[ . 1 . 2]" 1
23 1 79 GLN H 1 79 GLN HG3 4.560 2.720 7.320 3.743 2.509 4.870 0.211 20 0 "[ . 1 . 2]" 1
24 1 79 GLN HA 1 80 ALA H 2.500 2.040 3.200 2.352 2.141 3.410 0.210 16 0 "[ . 1 . 2]" 1
25 1 79 GLN HB3 1 80 ALA H 4.010 2.530 6.220 4.062 3.007 4.615 . 0 0 "[ . 1 . 2]" 1
26 1 79 GLN HB2 1 80 ALA H 4.010 2.530 6.220 3.950 2.910 4.537 . 0 0 "[ . 1 . 2]" 1
27 1 80 ALA H 1 80 ALA MB 2.810 2.140 3.820 2.385 2.236 3.000 . 0 0 "[ . 1 . 2]" 1
28 1 81 PRO HA 1 82 VAL H 2.480 2.020 3.160 2.301 2.185 2.627 . 0 0 "[ . 1 . 2]" 1
29 1 82 VAL H 1 82 VAL HB 3.190 2.270 4.580 2.856 2.419 3.808 . 0 0 "[ . 1 . 2]" 1
30 1 81 PRO HB2 1 82 VAL H 3.700 2.430 5.610 3.567 2.328 4.383 0.102 3 0 "[ . 1 . 2]" 1
31 1 81 PRO HB3 1 82 VAL H 3.700 2.430 5.610 3.837 3.146 4.491 . 0 0 "[ . 1 . 2]" 1
32 1 82 VAL HA 1 83 SER H 2.720 2.100 3.640 2.382 2.110 3.421 . 0 0 "[ . 1 . 2]" 1
33 1 83 SER HA 1 84 LYS H 2.780 2.130 3.760 2.318 2.138 2.958 . 0 0 "[ . 1 . 2]" 1
34 1 84 LYS HA 1 85 ARG H 2.950 2.180 4.100 2.229 2.122 2.471 0.058 16 0 "[ . 1 . 2]" 1
35 1 85 ARG H 1 85 ARG HG2 4.360 2.650 6.920 3.948 2.454 4.917 0.196 7 0 "[ . 1 . 2]" 1
36 1 85 ARG H 1 85 ARG HG3 4.360 2.650 6.920 3.872 2.529 4.670 0.121 15 0 "[ . 1 . 2]" 1
37 1 85 ARG HA 1 86 ARG H 2.900 2.170 4.000 2.240 2.146 2.497 0.024 1 0 "[ . 1 . 2]" 1
38 1 86 ARG HA 1 87 ALA H 3.080 2.220 4.360 2.524 2.156 3.587 0.064 17 0 "[ . 1 . 2]" 1
39 1 74 LEU HA 1 75 SER H 2.850 2.150 3.900 2.302 2.145 3.056 0.005 11 0 "[ . 1 . 2]" 1
40 1 74 LEU HB2 1 75 SER H 4.410 2.670 7.020 4.456 4.061 4.634 . 0 0 "[ . 1 . 2]" 1
41 1 74 LEU HB3 1 75 SER H 4.410 2.670 7.020 4.155 2.834 4.573 . 0 0 "[ . 1 . 2]" 1
42 1 11 CYS H 1 12 ARG H 3.980 2.520 6.160 4.485 4.310 4.681 . 0 0 "[ . 1 . 2]" 1
43 1 10 LYS HA 1 11 CYS H 2.890 2.160 3.980 2.538 2.163 3.467 . 0 0 "[ . 1 . 2]" 1
44 1 11 CYS H 1 11 CYS HB2 3.250 2.290 4.700 2.874 2.418 3.653 . 0 0 "[ . 1 . 2]" 1
45 1 11 CYS H 1 11 CYS HB3 3.250 2.290 4.700 3.319 2.573 3.636 . 0 0 "[ . 1 . 2]" 1
46 1 10 LYS HB3 1 11 CYS H 3.160 2.260 4.520 3.428 2.069 4.185 0.191 10 0 "[ . 1 . 2]" 1
47 1 12 ARG H 1 13 CYS H 3.930 2.510 6.060 4.482 4.382 4.646 . 0 0 "[ . 1 . 2]" 1
48 1 11 CYS HA 1 12 ARG H 3.050 2.210 4.300 2.203 2.162 2.313 0.048 11 0 "[ . 1 . 2]" 1
49 1 11 CYS HB2 1 12 ARG H 3.740 2.450 5.680 4.027 2.772 4.411 . 0 0 "[ . 1 . 2]" 1
50 1 11 CYS HB3 1 12 ARG H 3.740 2.450 5.680 3.772 3.303 4.388 . 0 0 "[ . 1 . 2]" 1
51 1 13 CYS H 1 13 CYS HB3 3.330 2.310 4.860 2.852 2.521 3.887 . 0 0 "[ . 1 . 2]" 1
52 1 13 CYS H 1 13 CYS HB2 3.330 2.310 4.860 3.103 2.675 3.463 . 0 0 "[ . 1 . 2]" 1
53 1 15 GLY HA3 1 16 VAL H 2.930 2.180 4.060 2.622 2.149 3.556 0.031 8 0 "[ . 1 . 2]" 1
54 1 15 GLY HA2 1 16 VAL H 2.930 2.180 4.060 2.667 2.259 3.501 . 0 0 "[ . 1 . 2]" 1
55 1 16 VAL H 1 16 VAL HB 3.410 2.340 5.020 3.475 2.546 3.932 . 0 0 "[ . 1 . 2]" 1
56 1 16 VAL H 1 17 ILE H 3.850 2.480 5.900 4.476 4.278 4.558 . 0 0 "[ . 1 . 2]" 1
57 1 16 VAL HA 1 17 ILE H 2.930 2.180 4.060 2.319 2.172 2.543 0.008 10 0 "[ . 1 . 2]" 1
58 1 17 ILE H 1 55 VAL HA 3.820 2.470 5.850 4.119 3.085 4.808 . 0 0 "[ . 1 . 2]" 1
59 1 17 ILE H 1 17 ILE HB 3.270 2.290 4.740 3.790 3.694 3.903 . 0 0 "[ . 1 . 2]" 1
60 1 18 SER H 1 19 THR H 3.760 2.450 5.720 2.395 2.261 2.475 0.189 1 0 "[ . 1 . 2]" 1
61 1 17 ILE HA 1 19 THR H 3.690 2.430 5.580 3.745 3.321 4.285 . 0 0 "[ . 1 . 2]" 1
62 1 19 THR H 1 19 THR HB 3.160 2.250 4.520 2.765 2.426 3.625 . 0 0 "[ . 1 . 2]" 1
63 1 18 SER HB2 1 19 THR H 4.100 2.570 6.400 3.833 2.478 4.572 0.092 16 0 "[ . 1 . 2]" 1
64 1 18 SER HB3 1 19 THR H 4.100 2.570 6.400 4.238 3.595 4.560 . 0 0 "[ . 1 . 2]" 1
65 1 17 ILE HG13 1 19 THR H 4.070 2.550 6.340 4.719 3.179 6.101 . 0 0 "[ . 1 . 2]" 1
66 1 19 THR H 1 19 THR MG 3.530 2.380 5.250 3.563 2.407 3.985 . 0 0 "[ . 1 . 2]" 1
67 1 17 ILE MD 1 19 THR H 3.400 2.330 5.000 3.282 2.380 4.598 . 0 0 "[ . 1 . 2]" 1
68 1 19 THR H 1 20 VAL H 3.840 2.480 5.880 4.449 4.177 4.579 . 0 0 "[ . 1 . 2]" 1
69 1 19 THR HA 1 20 VAL H 2.830 2.140 3.860 2.217 2.157 2.284 . 0 0 "[ . 1 . 2]" 1
70 1 19 THR HB 1 20 VAL H 3.840 2.480 5.880 4.060 2.991 4.444 . 0 0 "[ . 1 . 2]" 1
71 1 18 SER HA 1 20 VAL H 4.720 2.780 7.640 5.977 4.963 6.529 . 0 0 "[ . 1 . 2]" 1
72 1 20 VAL H 1 20 VAL HB 3.320 2.300 4.840 2.764 2.428 3.743 . 0 0 "[ . 1 . 2]" 1
73 1 19 THR MG 1 20 VAL H 3.720 2.440 5.640 2.970 2.496 4.055 . 0 0 "[ . 1 . 2]" 1
74 1 20 VAL H 1 20 VAL MG2 3.860 2.490 5.910 2.735 2.300 3.860 0.190 8 0 "[ . 1 . 2]" 1
75 1 20 VAL H 1 20 VAL MG1 3.860 2.490 5.910 3.153 2.261 3.846 0.229 7 0 "[ . 1 . 2]" 1
76 1 21 VAL HA 1 22 GLY H 2.580 2.060 3.360 2.214 2.142 2.291 . 0 0 "[ . 1 . 2]" 1
77 1 21 VAL HB 1 22 GLY H 3.530 2.380 5.260 4.116 3.962 4.232 . 0 0 "[ . 1 . 2]" 1
78 1 21 VAL MG2 1 22 GLY H 3.680 2.430 5.560 3.411 2.357 4.160 0.073 17 0 "[ . 1 . 2]" 1
79 1 22 GLY H 1 25 ILE MD 3.190 2.270 4.580 2.698 2.206 3.797 0.064 7 0 "[ . 1 . 2]" 1
80 1 23 LEU H 1 23 LEU HB2 3.220 2.270 4.650 2.339 2.232 2.491 0.038 16 0 "[ . 1 . 2]" 1
81 1 23 LEU H 1 23 LEU HG 3.690 2.430 5.580 4.263 2.433 4.508 . 0 0 "[ . 1 . 2]" 1
82 1 22 GLY HA3 1 24 ASN H 3.670 2.420 5.540 3.474 3.033 3.756 . 0 0 "[ . 1 . 2]" 1
83 1 22 GLY HA2 1 24 ASN H 3.670 2.420 5.540 3.865 3.640 4.236 . 0 0 "[ . 1 . 2]" 1
84 1 24 ASN H 1 25 ILE MG 3.660 2.420 5.520 4.289 3.746 4.826 . 0 0 "[ . 1 . 2]" 1
85 1 24 ASN H 1 26 ILE HG13 4.950 2.850 8.100 5.720 5.479 5.849 . 0 0 "[ . 1 . 2]" 1
86 1 24 ASN H 1 24 ASN HB2 2.950 2.180 4.100 2.571 2.417 3.615 . 0 0 "[ . 1 . 2]" 1
87 1 24 ASN H 1 24 ASN HB3 2.950 2.180 4.100 2.566 2.403 3.610 . 0 0 "[ . 1 . 2]" 1
88 1 25 ILE H 1 26 ILE HG12 3.860 2.480 5.920 3.613 3.504 3.798 . 0 0 "[ . 1 . 2]" 1
89 1 25 ILE H 1 25 ILE HG13 3.610 2.400 5.430 3.226 3.020 3.505 . 0 0 "[ . 1 . 2]" 1
90 1 23 LEU HA 1 26 ILE H 3.810 2.470 5.820 3.515 2.784 4.034 . 0 0 "[ . 1 . 2]" 1
91 1 26 ILE H 1 26 ILE HG12 3.220 2.280 4.640 2.295 2.201 2.507 0.079 1 0 "[ . 1 . 2]" 1
92 1 26 ILE H 1 26 ILE HB 3.130 2.240 4.470 2.556 2.449 2.655 . 0 0 "[ . 1 . 2]" 1
93 1 26 ILE H 1 26 ILE MD 3.340 2.310 4.890 3.398 3.087 3.647 . 0 0 "[ . 1 . 2]" 1
94 1 26 ILE H 1 26 ILE MG 3.610 2.400 5.420 3.840 3.793 3.872 . 0 0 "[ . 1 . 2]" 1
95 1 26 ILE H 1 26 ILE HG13 3.880 2.490 5.970 3.707 3.636 3.827 . 0 0 "[ . 1 . 2]" 1
96 1 27 ASP H 1 47 THR HA 3.430 2.340 5.060 2.368 2.236 2.678 0.104 8 0 "[ . 1 . 2]" 1
97 1 26 ILE HA 1 27 ASP H 3.090 2.230 4.380 2.204 2.180 2.275 0.050 11 0 "[ . 1 . 2]" 1
98 1 27 ASP H 1 27 ASP HB3 3.550 2.380 5.310 2.502 2.372 2.656 0.008 3 0 "[ . 1 . 2]" 1
99 1 26 ILE MD 1 27 ASP H 3.530 2.380 5.260 3.959 3.801 4.068 . 0 0 "[ . 1 . 2]" 1
100 1 27 ASP HB3 1 28 ARG H 3.280 2.290 4.770 2.337 2.232 2.451 0.058 6 0 "[ . 1 . 2]" 1
101 1 28 ARG H 1 46 TRP HB3 3.990 2.530 6.180 4.250 3.842 4.700 . 0 0 "[ . 1 . 2]" 1
102 1 28 ARG H 1 46 TRP HB2 3.990 2.530 6.180 3.113 2.551 3.560 . 0 0 "[ . 1 . 2]" 1
103 1 27 ASP HB2 1 28 ARG H 3.680 2.430 5.560 3.746 3.639 3.857 . 0 0 "[ . 1 . 2]" 1
104 1 26 ILE MG 1 28 ARG H 3.430 2.340 5.060 3.251 2.880 3.591 . 0 0 "[ . 1 . 2]" 1
105 1 28 ARG HA 1 29 ILE H 3.100 2.230 4.400 2.228 2.176 2.305 0.054 10 0 "[ . 1 . 2]" 1
106 1 29 ILE H 1 29 ILE HB 3.280 2.290 4.770 2.571 2.488 2.669 . 0 0 "[ . 1 . 2]" 1
107 1 28 ARG HG2 1 29 ILE H 4.350 2.650 6.900 4.093 2.661 5.146 . 0 0 "[ . 1 . 2]" 1
108 1 28 ARG HG3 1 29 ILE H 4.350 2.650 6.900 3.870 2.612 5.246 0.038 9 0 "[ . 1 . 2]" 1
109 1 29 ILE H 1 29 ILE MG 3.740 2.450 5.680 3.858 3.813 3.917 . 0 0 "[ . 1 . 2]" 1
110 1 29 ILE H 1 29 ILE MD 4.000 2.530 6.200 3.967 3.782 4.251 . 0 0 "[ . 1 . 2]" 1
111 1 29 ILE H 1 30 GLN H 4.200 2.600 6.600 4.261 4.070 4.505 . 0 0 "[ . 1 . 2]" 1
112 1 29 ILE HA 1 30 GLN H 3.010 2.200 4.230 2.190 2.137 2.242 0.063 1 0 "[ . 1 . 2]" 1
113 1 29 ILE HB 1 30 GLN H 3.940 2.520 6.080 4.332 4.020 4.485 . 0 0 "[ . 1 . 2]" 1
114 1 29 ILE MG 1 30 GLN H 3.440 2.340 5.080 3.027 2.431 3.304 . 0 0 "[ . 1 . 2]" 1
115 1 30 GLN HA 1 31 VAL H 2.970 2.190 4.140 2.207 2.144 2.321 0.046 19 0 "[ . 1 . 2]" 1
116 1 31 VAL H 1 31 VAL HB 3.340 2.320 4.880 2.868 2.460 3.902 . 0 0 "[ . 1 . 2]" 1
117 1 31 VAL H 1 31 VAL MG2 4.500 2.700 7.200 3.166 2.447 4.031 0.253 15 0 "[ . 1 . 2]" 1
118 1 31 VAL H 1 31 VAL MG1 4.500 2.700 7.200 3.248 2.431 3.916 0.269 12 0 "[ . 1 . 2]" 1
119 1 31 VAL HA 1 32 THR H 2.970 2.190 4.140 2.178 2.130 2.246 0.060 12 0 "[ . 1 . 2]" 1
120 1 32 THR H 1 32 THR HB 3.490 2.360 5.180 2.918 2.573 3.769 . 0 0 "[ . 1 . 2]" 1
121 1 31 VAL HB 1 32 THR H 4.020 2.540 6.240 4.249 2.914 4.452 . 0 0 "[ . 1 . 2]" 1
122 1 32 THR H 1 32 THR MG 3.870 2.490 5.940 3.636 2.797 3.964 . 0 0 "[ . 1 . 2]" 1
123 1 32 THR H 1 41 THR MG 3.890 2.490 5.980 3.967 3.143 4.935 . 0 0 "[ . 1 . 2]" 1
124 1 34 PRO HA 1 35 GLY H 2.570 2.050 3.340 2.350 2.108 3.340 . 0 0 "[ . 1 . 2]" 1
125 1 34 PRO HB2 1 35 GLY H 3.290 2.290 4.780 3.498 2.279 4.279 0.011 19 0 "[ . 1 . 2]" 1
126 1 34 PRO HB3 1 35 GLY H 3.290 2.290 4.780 3.958 3.241 4.568 . 0 0 "[ . 1 . 2]" 1
127 1 35 GLY H 1 38 CYS H 3.680 2.430 5.560 3.767 2.987 5.605 0.045 2 0 "[ . 1 . 2]" 1
128 1 37 GLY H 1 38 CYS H 3.530 2.380 5.250 2.715 2.355 3.070 0.025 4 0 "[ . 1 . 2]" 1
129 1 40 LYS H 1 41 THR H 3.810 2.470 5.820 4.442 4.138 4.563 . 0 0 "[ . 1 . 2]" 1
130 1 34 PRO HA 1 40 LYS H 4.220 2.610 6.630 4.039 2.890 5.726 . 0 0 "[ . 1 . 2]" 1
131 1 40 LYS H 1 41 THR HA 4.900 2.840 8.000 5.135 4.714 5.412 . 0 0 "[ . 1 . 2]" 1
132 1 40 LYS H 1 40 LYS HB2 3.410 2.330 5.020 2.946 2.441 4.046 . 0 0 "[ . 1 . 2]" 1
133 1 40 LYS H 1 40 LYS HB3 3.410 2.330 5.020 3.508 2.447 3.846 . 0 0 "[ . 1 . 2]" 1
134 1 41 THR H 1 41 THR HB 2.960 2.190 4.120 2.601 2.495 2.758 . 0 0 "[ . 1 . 2]" 1
135 1 40 LYS HA 1 41 THR H 2.700 2.100 3.600 2.392 2.133 2.621 . 0 0 "[ . 1 . 2]" 1
136 1 32 THR H 1 42 GLU H 3.980 2.520 6.160 3.463 2.977 3.845 . 0 0 "[ . 1 . 2]" 1
137 1 32 THR HB 1 42 GLU H 3.870 2.490 5.940 3.283 2.367 4.556 0.123 14 0 "[ . 1 . 2]" 1
138 1 41 THR MG 1 42 GLU H 3.460 2.350 5.120 3.033 2.565 3.905 . 0 0 "[ . 1 . 2]" 1
139 1 43 VAL H 1 43 VAL HB 3.030 2.210 4.260 2.627 2.455 2.872 . 0 0 "[ . 1 . 2]" 1
140 1 43 VAL H 1 43 VAL MG2 3.160 2.250 4.520 2.461 2.243 2.785 0.007 2 0 "[ . 1 . 2]" 1
141 1 43 VAL H 1 43 VAL MG1 3.490 2.360 5.180 3.875 3.799 3.997 . 0 0 "[ . 1 . 2]" 1
142 1 30 GLN H 1 44 VAL H 3.890 2.490 5.980 3.991 3.624 4.222 . 0 0 "[ . 1 . 2]" 1
143 1 43 VAL HA 1 44 VAL H 3.040 2.210 4.280 2.164 2.146 2.206 0.064 14 0 "[ . 1 . 2]" 1
144 1 44 VAL H 1 44 VAL HB 3.450 2.350 5.100 2.839 2.463 3.837 . 0 0 "[ . 1 . 2]" 1
145 1 43 VAL MG1 1 44 VAL H 3.370 2.320 4.940 3.282 3.019 3.380 . 0 0 "[ . 1 . 2]" 1
146 1 45 ILE H 1 54 CYS HA 4.000 2.540 6.200 3.360 2.830 3.912 . 0 0 "[ . 1 . 2]" 1
147 1 44 VAL HA 1 45 ILE H 3.000 2.200 4.200 2.197 2.126 2.265 0.074 12 0 "[ . 1 . 2]" 1
148 1 45 ILE H 1 45 ILE HB 3.380 2.330 4.960 2.610 2.512 2.798 . 0 0 "[ . 1 . 2]" 1
149 1 45 ILE H 1 45 ILE MG 3.960 2.520 6.120 3.872 3.831 3.942 . 0 0 "[ . 1 . 2]" 1
150 1 45 ILE H 1 45 ILE MD 4.250 2.620 6.700 3.951 3.783 4.207 . 0 0 "[ . 1 . 2]" 1
151 1 45 ILE HA 1 46 TRP H 3.090 2.230 4.380 2.160 2.131 2.195 0.099 10 0 "[ . 1 . 2]" 1
152 1 45 ILE HB 1 46 TRP H 4.320 2.640 6.840 4.189 4.020 4.319 . 0 0 "[ . 1 . 2]" 1
153 1 45 ILE MG 1 46 TRP H 3.410 2.330 5.020 2.736 2.477 2.983 . 0 0 "[ . 1 . 2]" 1
154 1 46 TRP HE1 1 52 VAL MG1 3.290 2.290 4.780 4.117 3.140 4.850 0.070 4 0 "[ . 1 . 2]" 1
155 1 46 TRP HA 1 47 THR H 2.810 2.140 3.820 2.197 2.165 2.237 . 0 0 "[ . 1 . 2]" 1
156 1 47 THR H 1 52 VAL HA 3.790 2.460 5.780 3.953 3.479 4.354 . 0 0 "[ . 1 . 2]" 1
157 1 47 THR H 1 47 THR MG 3.070 2.220 4.340 2.466 2.239 2.602 . 0 0 "[ . 1 . 2]" 1
158 1 45 ILE MG 1 47 THR H 3.850 2.480 5.900 3.923 3.327 4.326 . 0 0 "[ . 1 . 2]" 1
159 1 48 LYS H 1 49 MET H 3.330 2.310 4.860 2.573 2.480 2.695 . 0 0 "[ . 1 . 2]" 1
160 1 47 THR HG1 1 48 LYS H 3.770 2.460 5.740 4.594 4.027 4.774 . 0 0 "[ . 1 . 2]" 1
161 1 47 THR HA 1 48 LYS H 3.070 2.220 4.350 2.510 2.384 2.635 . 0 0 "[ . 1 . 2]" 1
162 1 47 THR HB 1 48 LYS H 2.880 2.160 3.960 2.315 2.141 2.507 0.019 15 0 "[ . 1 . 2]" 1
163 1 25 ILE HB 1 48 LYS H 3.440 2.340 5.080 3.375 2.803 3.937 . 0 0 "[ . 1 . 2]" 1
164 1 27 ASP HB2 1 48 LYS H 3.820 2.470 5.850 3.199 2.818 3.545 . 0 0 "[ . 1 . 2]" 1
165 1 48 LYS H 1 48 LYS HB3 3.280 2.300 4.760 3.159 2.529 3.666 . 0 0 "[ . 1 . 2]" 1
166 1 48 LYS H 1 48 LYS HB2 3.280 2.300 4.760 3.002 2.303 3.654 . 0 0 "[ . 1 . 2]" 1
167 1 48 LYS H 1 48 LYS HG3 3.490 2.360 5.180 3.123 2.227 3.855 0.133 18 0 "[ . 1 . 2]" 1
168 1 48 LYS H 1 48 LYS HG2 3.490 2.360 5.180 2.730 2.203 3.627 0.157 7 0 "[ . 1 . 2]" 1
169 1 25 ILE MD 1 48 LYS H 3.580 2.390 5.360 4.750 4.230 5.321 . 0 0 "[ . 1 . 2]" 1
170 1 49 MET H 1 51 LYS H 3.640 2.410 5.490 3.599 3.416 3.934 . 0 0 "[ . 1 . 2]" 1
171 1 47 THR HG1 1 49 MET H 3.070 2.220 4.350 3.841 2.906 4.370 0.020 3 0 "[ . 1 . 2]" 1
172 1 49 MET H 1 50 LYS HA 4.160 2.580 6.520 4.638 4.462 4.826 . 0 0 "[ . 1 . 2]" 1
173 1 49 MET H 1 49 MET HG3 3.490 2.360 5.190 2.981 2.299 3.645 0.061 6 0 "[ . 1 . 2]" 1
174 1 49 MET H 1 49 MET HG2 3.490 2.360 5.190 3.372 2.180 4.086 0.180 15 0 "[ . 1 . 2]" 1
175 1 49 MET H 1 49 MET HB3 3.260 2.280 4.720 3.417 2.594 3.724 . 0 0 "[ . 1 . 2]" 1
176 1 49 MET H 1 49 MET ME 4.200 2.600 6.600 3.573 2.526 4.561 0.074 7 0 "[ . 1 . 2]" 1
177 1 49 MET H 1 49 MET HB2 3.260 2.280 4.720 2.801 2.372 3.720 . 0 0 "[ . 1 . 2]" 1
178 1 49 MET H 1 51 LYS HB2 4.310 2.640 6.820 5.060 4.681 5.575 . 0 0 "[ . 1 . 2]" 1
179 1 49 MET H 1 51 LYS HB3 4.310 2.640 6.820 4.894 4.560 5.403 . 0 0 "[ . 1 . 2]" 1
180 1 47 THR MG 1 49 MET H 3.640 2.410 5.480 4.176 3.923 4.390 . 0 0 "[ . 1 . 2]" 1
181 1 25 ILE MD 1 49 MET H 4.350 2.650 6.900 4.939 4.069 5.538 . 0 0 "[ . 1 . 2]" 1
182 1 49 MET H 1 50 LYS H 2.940 2.180 4.080 2.502 2.351 2.646 . 0 0 "[ . 1 . 2]" 1
183 1 50 LYS H 1 51 LYS H 2.830 2.140 3.860 2.625 2.455 2.883 . 0 0 "[ . 1 . 2]" 1
184 1 48 LYS H 1 50 LYS H 3.760 2.450 5.720 3.947 3.746 4.189 . 0 0 "[ . 1 . 2]" 1
185 1 47 THR H 1 50 LYS H 4.180 2.590 6.570 4.002 3.715 4.462 . 0 0 "[ . 1 . 2]" 1
186 1 47 THR HG1 1 50 LYS H 3.750 2.450 5.700 3.995 3.725 4.311 . 0 0 "[ . 1 . 2]" 1
187 1 49 MET HA 1 50 LYS H 3.050 2.210 4.300 3.248 3.069 3.345 . 0 0 "[ . 1 . 2]" 1
188 1 48 LYS HA 1 50 LYS H 3.420 2.340 5.040 3.374 3.158 3.534 . 0 0 "[ . 1 . 2]" 1
189 1 50 LYS H 1 50 LYS HA 2.530 2.050 3.260 2.226 2.207 2.252 . 0 0 "[ . 1 . 2]" 1
190 1 49 MET HB3 1 50 LYS H 3.930 2.510 6.060 4.361 4.265 4.569 . 0 0 "[ . 1 . 2]" 1
191 1 50 LYS H 1 50 LYS HB3 3.560 2.390 5.320 4.123 4.051 4.176 . 0 0 "[ . 1 . 2]" 1
192 1 50 LYS H 1 50 LYS HB2 3.560 2.390 5.320 3.560 3.328 3.674 . 0 0 "[ . 1 . 2]" 1
193 1 49 MET HB2 1 50 LYS H 3.930 2.510 6.060 3.794 3.407 4.498 . 0 0 "[ . 1 . 2]" 1
194 1 50 LYS H 1 50 LYS HD2 3.970 2.530 6.140 3.671 2.392 4.715 0.138 16 0 "[ . 1 . 2]" 1
195 1 50 LYS H 1 50 LYS HD3 3.970 2.530 6.140 3.350 2.467 4.635 0.063 11 0 "[ . 1 . 2]" 1
196 1 50 LYS H 1 50 LYS HG2 4.160 2.580 6.520 3.708 2.907 4.758 . 0 0 "[ . 1 . 2]" 1
197 1 50 LYS H 1 50 LYS HG3 4.160 2.580 6.520 4.278 3.785 4.558 . 0 0 "[ . 1 . 2]" 1
198 1 47 THR MG 1 50 LYS H 4.550 2.720 7.290 4.853 4.604 5.138 . 0 0 "[ . 1 . 2]" 1
199 1 47 THR H 1 51 LYS H 3.400 2.330 5.000 3.254 2.735 3.576 . 0 0 "[ . 1 . 2]" 1
200 1 47 THR HG1 1 51 LYS H 3.610 2.400 5.430 2.331 2.245 2.508 0.155 1 0 "[ . 1 . 2]" 1
201 1 49 MET HA 1 51 LYS H 4.000 2.540 6.200 4.502 4.365 4.879 . 0 0 "[ . 1 . 2]" 1
202 1 50 LYS HA 1 51 LYS H 3.130 2.250 4.460 3.001 2.748 3.187 . 0 0 "[ . 1 . 2]" 1
203 1 51 LYS H 1 51 LYS HB2 3.340 2.320 4.880 2.573 2.377 2.776 . 0 0 "[ . 1 . 2]" 1
204 1 51 LYS H 1 51 LYS HB3 3.340 2.320 4.880 2.584 2.443 2.758 . 0 0 "[ . 1 . 2]" 1
205 1 47 THR MG 1 51 LYS H 3.500 2.370 5.200 3.927 3.559 4.029 . 0 0 "[ . 1 . 2]" 1
206 1 46 TRP HA 1 51 LYS H 4.390 2.660 6.990 4.832 4.244 5.227 . 0 0 "[ . 1 . 2]" 1
207 1 47 THR HA 1 51 LYS H 4.780 2.800 7.760 5.039 4.768 5.138 . 0 0 "[ . 1 . 2]" 1
208 1 51 LYS HD3 1 52 VAL H 4.100 2.570 6.400 3.525 2.530 5.432 0.040 8 0 "[ . 1 . 2]" 1
209 1 52 VAL H 1 52 VAL HB 3.130 2.250 4.460 2.569 2.451 2.733 . 0 0 "[ . 1 . 2]" 1
210 1 51 LYS HG3 1 52 VAL H 3.910 2.510 6.020 4.259 2.743 4.878 . 0 0 "[ . 1 . 2]" 1
211 1 51 LYS HG2 1 52 VAL H 3.910 2.510 6.020 3.194 2.871 3.653 . 0 0 "[ . 1 . 2]" 1
212 1 52 VAL H 1 52 VAL MG1 3.360 2.320 4.920 3.840 3.795 3.893 . 0 0 "[ . 1 . 2]" 1
213 1 52 VAL H 1 52 VAL MG2 3.750 2.450 5.700 2.352 2.306 2.406 0.144 19 0 "[ . 1 . 2]" 1
214 1 52 VAL HA 1 53 ILE H 2.940 2.180 4.080 2.172 2.123 2.207 0.057 12 0 "[ . 1 . 2]" 1
215 1 45 ILE HB 1 53 ILE H 3.800 2.470 5.800 3.863 3.636 4.276 . 0 0 "[ . 1 . 2]" 1
216 1 52 VAL HB 1 53 ILE H 3.910 2.510 6.020 4.269 3.968 4.443 . 0 0 "[ . 1 . 2]" 1
217 1 53 ILE H 1 53 ILE HG13 3.820 2.470 5.840 3.034 2.667 3.508 . 0 0 "[ . 1 . 2]" 1
218 1 53 ILE H 1 53 ILE HG12 3.820 2.470 5.840 2.413 2.318 2.539 0.152 20 0 "[ . 1 . 2]" 1
219 1 52 VAL MG1 1 53 ILE H 3.890 2.490 5.980 2.925 2.468 3.360 0.022 7 0 "[ . 1 . 2]" 1
220 1 53 ILE HA 1 54 CYS H 2.860 2.150 3.920 2.277 2.174 2.416 . 0 0 "[ . 1 . 2]" 1
221 1 54 CYS H 1 54 CYS HB3 3.530 2.380 5.260 3.233 2.466 3.821 . 0 0 "[ . 1 . 2]" 1
222 1 54 CYS H 1 54 CYS HB2 3.530 2.380 5.260 2.988 2.490 3.854 . 0 0 "[ . 1 . 2]" 1
223 1 53 ILE HB 1 54 CYS H 3.800 2.470 5.790 2.805 2.621 3.280 . 0 0 "[ . 1 . 2]" 1
224 1 54 CYS HA 1 55 VAL H 3.000 2.200 4.200 2.187 2.141 2.319 0.059 9 0 "[ . 1 . 2]" 1
225 1 54 CYS HB3 1 55 VAL H 3.780 2.460 5.760 3.789 2.826 4.420 . 0 0 "[ . 1 . 2]" 1
226 1 54 CYS HB2 1 55 VAL H 3.780 2.460 5.760 4.077 3.328 4.390 . 0 0 "[ . 1 . 2]" 1
227 1 43 VAL HB 1 55 VAL H 3.620 2.410 5.440 3.335 2.771 3.981 . 0 0 "[ . 1 . 2]" 1
228 1 55 VAL H 1 55 VAL HB 3.540 2.380 5.280 3.885 3.809 3.957 . 0 0 "[ . 1 . 2]" 1
229 1 55 VAL HA 1 56 ASN H 3.010 2.200 4.220 2.326 2.154 2.403 0.046 16 0 "[ . 1 . 2]" 1
230 1 56 ASN H 1 56 ASN HB3 3.210 2.270 4.620 3.513 2.510 3.654 . 0 0 "[ . 1 . 2]" 1
231 1 56 ASN H 1 56 ASN HB2 3.210 2.270 4.620 2.512 2.362 3.599 . 0 0 "[ . 1 . 2]" 1
232 1 55 VAL HB 1 56 ASN H 3.300 2.300 4.800 2.579 2.269 3.284 0.031 5 0 "[ . 1 . 2]" 1
233 1 43 VAL HB 1 56 ASN H 4.550 2.720 7.300 5.239 4.804 5.961 . 0 0 "[ . 1 . 2]" 1
234 1 55 VAL MG1 1 56 ASN H 3.390 2.330 4.980 3.767 3.537 4.046 . 0 0 "[ . 1 . 2]" 1
235 1 55 VAL MG2 1 56 ASN H 3.390 2.330 4.980 3.514 3.183 3.989 . 0 0 "[ . 1 . 2]" 1
236 1 58 ARG H 1 59 ALA H 3.020 2.200 4.240 2.608 2.441 2.826 . 0 0 "[ . 1 . 2]" 1
237 1 58 ARG H 1 58 ARG HB3 3.470 2.350 5.140 3.463 2.547 3.739 . 0 0 "[ . 1 . 2]" 1
238 1 58 ARG H 1 58 ARG HB2 3.470 2.350 5.140 2.698 2.420 3.704 . 0 0 "[ . 1 . 2]" 1
239 1 58 ARG H 1 58 ARG HG3 3.490 2.360 5.190 3.227 2.289 4.554 0.071 16 0 "[ . 1 . 2]" 1
240 1 58 ARG H 1 58 ARG HG2 3.490 2.360 5.190 3.263 2.273 4.645 0.087 8 0 "[ . 1 . 2]" 1
241 1 59 ALA H 1 59 ALA MB 3.090 2.230 4.380 2.257 2.227 2.283 0.003 11 0 "[ . 1 . 2]" 1
242 1 59 ALA H 1 62 LEU HG 4.080 2.560 6.360 5.663 5.114 6.450 0.090 6 0 "[ . 1 . 2]" 1
243 1 59 ALA H 1 62 LEU MD2 4.010 2.530 6.220 3.367 2.872 4.000 . 0 0 "[ . 1 . 2]" 1
244 1 59 ALA MB 1 61 TRP HE1 3.410 2.330 5.020 2.812 2.320 4.167 0.010 7 0 "[ . 1 . 2]" 1
245 1 61 TRP H 1 62 LEU H 3.580 2.390 5.360 2.553 2.452 2.656 . 0 0 "[ . 1 . 2]" 1
246 1 62 LEU H 1 62 LEU HB3 3.540 2.380 5.280 2.460 2.389 2.560 . 0 0 "[ . 1 . 2]" 1
247 1 59 ALA MB 1 62 LEU H 3.800 2.470 5.790 2.942 2.830 3.162 . 0 0 "[ . 1 . 2]" 1
248 1 62 LEU H 1 62 LEU HB2 3.540 2.380 5.280 2.561 2.490 2.640 . 0 0 "[ . 1 . 2]" 1
249 1 67 ARG H 1 68 HIS H 3.390 2.330 4.980 2.502 2.343 2.676 . 0 0 "[ . 1 . 2]" 1
250 1 67 ARG H 1 67 ARG HB2 3.330 2.310 4.860 2.531 2.362 2.674 . 0 0 "[ . 1 . 2]" 1
251 1 67 ARG H 1 67 ARG HB3 3.330 2.310 4.860 2.869 2.374 3.688 . 0 0 "[ . 1 . 2]" 1
252 1 67 ARG H 1 67 ARG HG3 3.880 2.490 5.970 4.165 2.450 4.698 0.040 5 0 "[ . 1 . 2]" 1
253 1 67 ARG H 1 67 ARG HG2 3.880 2.490 5.970 4.055 2.468 4.646 0.022 10 0 "[ . 1 . 2]" 1
254 1 66 LEU MD1 1 67 ARG H 4.220 2.610 6.630 4.707 4.375 4.917 . 0 0 "[ . 1 . 2]" 1
255 1 66 LEU MD2 1 67 ARG H 4.510 2.700 7.230 4.718 4.651 4.796 . 0 0 "[ . 1 . 2]" 1
256 1 63 GLN H 1 64 ARG H 3.340 2.320 4.880 2.743 2.647 2.847 . 0 0 "[ . 1 . 2]" 1
257 1 63 GLN HB2 1 64 ARG H 3.840 2.480 5.880 3.172 2.642 4.298 . 0 0 "[ . 1 . 2]" 1
258 1 64 ARG H 1 64 ARG HG3 3.910 2.500 6.020 3.537 2.340 4.598 0.160 13 0 "[ . 1 . 2]" 1
259 1 64 ARG H 1 64 ARG HG2 3.910 2.500 6.020 3.713 2.334 4.668 0.166 14 0 "[ . 1 . 2]" 1
260 1 63 GLN HB3 1 64 ARG H 3.840 2.480 5.880 3.612 2.597 4.089 . 0 0 "[ . 1 . 2]" 1
261 1 64 ARG H 1 65 LEU H 3.040 2.210 4.280 2.592 2.480 2.713 . 0 0 "[ . 1 . 2]" 1
262 1 63 GLN HA 1 65 LEU H 3.920 2.500 6.040 4.277 4.122 4.492 . 0 0 "[ . 1 . 2]" 1
263 1 62 LEU HA 1 65 LEU H 3.650 2.420 5.500 3.242 3.029 3.549 . 0 0 "[ . 1 . 2]" 1
264 1 65 LEU H 1 65 LEU HB2 3.010 2.200 4.230 2.297 2.179 2.582 0.021 5 0 "[ . 1 . 2]" 1
265 1 65 LEU H 1 65 LEU HB3 3.070 2.220 4.350 3.502 2.429 3.605 . 0 0 "[ . 1 . 2]" 1
266 1 65 LEU H 1 66 LEU MD2 4.450 2.680 7.110 5.091 4.890 5.312 . 0 0 "[ . 1 . 2]" 1
267 1 65 LEU H 1 66 LEU H 3.230 2.270 4.660 2.547 2.413 2.756 . 0 0 "[ . 1 . 2]" 1
268 1 66 LEU H 1 67 ARG H 3.120 2.240 4.440 2.598 2.454 2.751 . 0 0 "[ . 1 . 2]" 1
269 1 63 GLN HA 1 66 LEU H 3.810 2.470 5.820 3.323 2.951 3.606 . 0 0 "[ . 1 . 2]" 1
270 1 62 LEU HA 1 66 LEU H 3.820 2.470 5.850 4.383 4.167 4.585 . 0 0 "[ . 1 . 2]" 1
271 1 65 LEU HB2 1 66 LEU H 3.130 2.240 4.470 2.855 2.676 4.063 . 0 0 "[ . 1 . 2]" 1
272 1 66 LEU H 1 66 LEU HG 2.690 2.090 3.580 2.325 2.227 2.454 . 0 0 "[ . 1 . 2]" 1
273 1 62 LEU HG 1 66 LEU H 3.950 2.510 6.100 4.033 3.616 4.350 . 0 0 "[ . 1 . 2]" 1
274 1 65 LEU MD2 1 66 LEU H 4.040 2.550 6.280 4.357 4.107 4.929 . 0 0 "[ . 1 . 2]" 1
275 1 66 LEU H 1 66 LEU MD2 3.130 2.240 4.470 3.254 3.052 3.382 . 0 0 "[ . 1 . 2]" 1
276 1 61 TRP H 1 63 GLN H 3.760 2.450 5.730 4.166 4.008 4.413 . 0 0 "[ . 1 . 2]" 1
277 1 62 LEU H 1 63 GLN H 3.320 2.310 4.830 2.578 2.451 2.665 . 0 0 "[ . 1 . 2]" 1
278 1 60 LYS HA 1 63 GLN H 3.860 2.490 5.910 3.593 2.931 4.094 . 0 0 "[ . 1 . 2]" 1
279 1 63 GLN H 1 63 GLN HB2 3.340 2.310 4.890 2.572 2.395 3.616 . 0 0 "[ . 1 . 2]" 1
280 1 63 GLN H 1 63 GLN HB3 3.340 2.310 4.890 3.349 2.406 3.639 . 0 0 "[ . 1 . 2]" 1
281 1 62 LEU HB3 1 63 GLN H 4.030 2.550 6.260 2.874 2.699 3.094 . 0 0 "[ . 1 . 2]" 1
282 1 62 LEU HB2 1 63 GLN H 4.030 2.550 6.260 4.048 3.952 4.118 . 0 0 "[ . 1 . 2]" 1
283 1 67 ARG HB2 1 68 HIS H 4.490 2.700 7.170 3.695 2.802 4.177 . 0 0 "[ . 1 . 2]" 1
284 1 67 ARG HB3 1 68 HIS H 4.490 2.700 7.170 3.188 2.641 4.103 0.059 15 0 "[ . 1 . 2]" 1
285 1 67 ARG HA 1 69 VAL H 3.830 2.470 5.860 4.323 3.945 4.772 . 0 0 "[ . 1 . 2]" 1
286 1 68 HIS HB3 1 69 VAL H 3.390 2.330 4.980 3.014 2.458 3.926 . 0 0 "[ . 1 . 2]" 1
287 1 68 HIS HB2 1 69 VAL H 3.390 2.330 4.980 3.748 2.833 4.122 . 0 0 "[ . 1 . 2]" 1
288 1 69 VAL H 1 69 VAL HB 3.320 2.310 4.830 3.221 2.508 3.765 . 0 0 "[ . 1 . 2]" 1
289 1 70 GLN HA 1 71 SER H 3.050 2.210 4.300 2.451 2.174 3.495 0.036 2 0 "[ . 1 . 2]" 1
290 1 23 LEU H 1 24 ASN H 3.530 2.380 5.260 2.678 2.554 2.764 . 0 0 "[ . 1 . 2]" 1
291 1 27 ASP H 1 28 ARG H 3.110 2.230 4.420 2.374 2.210 2.504 0.020 7 0 "[ . 1 . 2]" 1
292 1 24 ASN H 1 25 ILE H 3.200 2.270 4.590 2.720 2.515 2.856 . 0 0 "[ . 1 . 2]" 1
293 1 64 ARG H 1 66 LEU H 3.800 2.470 5.800 4.032 3.780 4.207 . 0 0 "[ . 1 . 2]" 1
294 1 41 THR HA 1 42 GLU H 2.930 2.180 4.050 2.198 2.147 2.261 0.033 6 0 "[ . 1 . 2]" 1
295 1 51 LYS HA 1 52 VAL H 2.620 2.070 3.450 2.154 2.115 2.189 . 0 0 "[ . 1 . 2]" 1
296 1 10 LYS HB2 1 11 CYS H 3.160 2.260 4.520 2.650 2.113 3.653 0.147 9 0 "[ . 1 . 2]" 1
297 1 12 ARG H 1 12 ARG HG2 4.330 2.640 6.860 4.006 2.433 4.632 0.207 9 0 "[ . 1 . 2]" 1
298 1 12 ARG H 1 12 ARG HG3 4.330 2.640 6.860 3.948 2.435 4.716 0.205 7 0 "[ . 1 . 2]" 1
299 1 17 ILE HB 1 19 THR H 3.320 2.310 4.830 2.601 2.206 3.821 0.104 19 0 "[ . 1 . 2]" 1
300 1 22 GLY H 1 47 THR MG 4.570 2.720 7.350 5.386 4.834 6.098 . 0 0 "[ . 1 . 2]" 1
301 1 16 VAL HB 1 17 ILE H 3.130 2.240 4.470 3.027 2.215 4.203 0.025 17 0 "[ . 1 . 2]" 1
302 1 79 GLN H 1 79 GLN HB2 3.340 2.320 4.880 3.128 2.382 3.904 . 0 0 "[ . 1 . 2]" 1
303 1 79 GLN H 1 79 GLN HB3 3.340 2.320 4.880 2.957 2.433 3.709 . 0 0 "[ . 1 . 2]" 1
304 1 82 VAL H 1 82 VAL MG1 3.910 2.510 6.020 3.033 2.297 4.075 0.213 1 0 "[ . 1 . 2]" 1
305 1 82 VAL H 1 82 VAL MG2 3.910 2.510 6.020 3.066 2.300 4.074 0.210 19 0 "[ . 1 . 2]" 1
306 1 23 LEU H 1 23 LEU HB3 3.220 2.270 4.650 2.811 2.429 3.633 . 0 0 "[ . 1 . 2]" 1
307 1 73 SER HA 1 74 LEU H 2.930 2.180 4.060 2.451 2.180 3.007 0.000 5 0 "[ . 1 . 2]" 1
308 1 61 TRP H 1 61 TRP HD1 3.340 2.310 4.890 2.486 2.233 2.767 0.077 12 0 "[ . 1 . 2]" 1
309 1 34 PRO HG2 1 35 GLY H 3.600 2.400 5.400 4.818 3.407 5.484 0.084 10 0 "[ . 1 . 2]" 1
310 1 76 SER HB2 1 77 THR H 4.280 2.630 6.750 3.933 2.595 4.594 0.035 17 0 "[ . 1 . 2]" 1
311 1 76 SER HB3 1 77 THR H 4.280 2.630 6.750 4.006 2.603 4.610 0.027 15 0 "[ . 1 . 2]" 1
312 1 73 SER HB2 1 74 LEU H 4.070 2.550 6.340 3.877 2.328 4.678 0.222 10 0 "[ . 1 . 2]" 1
313 1 73 SER HB3 1 74 LEU H 4.070 2.550 6.340 3.967 2.884 4.646 . 0 0 "[ . 1 . 2]" 1
314 1 16 VAL H 1 16 VAL MG2 3.370 2.320 4.940 2.363 2.185 2.905 0.135 17 0 "[ . 1 . 2]" 1
315 1 27 ASP HB2 1 49 MET H 4.390 2.660 6.980 4.949 4.738 5.120 . 0 0 "[ . 1 . 2]" 1
316 1 47 THR HB 1 49 MET H 2.880 2.160 3.960 2.632 2.318 2.896 . 0 0 "[ . 1 . 2]" 1
317 1 80 ALA MB 1 81 PRO HD2 3.580 2.390 5.360 3.160 2.359 4.093 0.031 19 0 "[ . 1 . 2]" 1
318 1 80 ALA MB 1 81 PRO HD3 3.580 2.390 5.360 3.812 3.170 4.288 . 0 0 "[ . 1 . 2]" 1
319 1 17 ILE HB 1 17 ILE MD 2.980 2.190 4.160 2.417 2.318 2.473 . 0 0 "[ . 1 . 2]" 1
320 1 17 ILE MD 1 17 ILE MG 2.810 2.140 3.820 2.961 2.084 3.305 0.056 14 0 "[ . 1 . 2]" 1
321 1 21 VAL HB 1 53 ILE MD 2.990 2.190 4.180 3.185 2.474 4.099 . 0 0 "[ . 1 . 2]" 1
322 1 17 ILE MG 1 19 THR H 3.900 2.500 6.000 4.093 3.620 5.021 . 0 0 "[ . 1 . 2]" 1
323 1 17 ILE MG 1 55 VAL HA 3.970 2.520 6.140 5.604 4.213 6.287 0.147 7 0 "[ . 1 . 2]" 1
324 1 17 ILE HG12 1 17 ILE MG 3.020 2.200 4.240 2.305 2.223 2.431 . 0 0 "[ . 1 . 2]" 1
325 1 17 ILE HG13 1 17 ILE MG 2.890 2.160 3.980 2.794 2.528 3.258 . 0 0 "[ . 1 . 2]" 1
326 1 17 ILE MG 1 53 ILE MG 2.590 2.060 3.390 2.511 2.031 3.509 0.119 4 0 "[ . 1 . 2]" 1
327 1 16 VAL MG1 1 17 ILE H 3.640 2.410 5.480 3.468 2.551 3.994 . 0 0 "[ . 1 . 2]" 1
328 1 16 VAL H 1 16 VAL MG1 3.370 2.320 4.940 3.111 2.543 3.981 . 0 0 "[ . 1 . 2]" 1
329 1 16 VAL HA 1 16 VAL MG1 3.320 2.310 4.830 2.439 2.394 2.484 . 0 0 "[ . 1 . 2]" 1
330 1 19 THR HA 1 19 THR MG 3.140 2.250 4.480 2.526 2.335 3.287 . 0 0 "[ . 1 . 2]" 1
331 1 77 THR HA 1 77 THR MG 2.970 2.190 4.140 2.587 2.351 3.277 . 0 0 "[ . 1 . 2]" 1
332 1 47 THR MG 1 48 LYS H 3.310 2.310 4.820 3.673 3.594 3.817 . 0 0 "[ . 1 . 2]" 1
333 1 47 THR HA 1 47 THR MG 3.220 2.280 4.640 2.395 2.364 2.493 . 0 0 "[ . 1 . 2]" 1
334 1 21 VAL MG2 1 47 THR MG 3.340 2.310 4.890 3.259 2.227 4.571 0.083 4 0 "[ . 1 . 2]" 1
335 1 32 THR HA 1 32 THR MG 3.260 2.290 4.710 2.394 2.340 2.452 . 0 0 "[ . 1 . 2]" 1
336 1 41 THR HA 1 41 THR MG 3.250 2.290 4.700 2.461 2.345 3.302 . 0 0 "[ . 1 . 2]" 1
337 1 41 THR MG 1 57 PRO HB3 3.800 2.470 5.800 3.272 2.384 4.096 0.086 10 0 "[ . 1 . 2]" 1
338 1 41 THR MG 1 57 PRO HB2 3.800 2.470 5.800 4.279 3.330 4.927 . 0 0 "[ . 1 . 2]" 1
339 1 21 VAL HA 1 21 VAL MG1 3.010 2.200 4.220 2.782 2.413 3.271 . 0 0 "[ . 1 . 2]" 1
340 1 43 VAL MG1 1 62 LEU MD1 3.050 2.210 4.300 2.522 2.087 3.260 0.123 13 0 "[ . 1 . 2]" 1
341 1 44 VAL HA 1 44 VAL MG2 3.550 2.380 5.300 2.692 2.448 3.294 . 0 0 "[ . 1 . 2]" 1
342 1 21 VAL HA 1 21 VAL MG2 3.010 2.200 4.220 2.442 2.344 2.540 . 0 0 "[ . 1 . 2]" 1
343 1 23 LEU HA 1 23 LEU MD2 3.050 2.220 4.290 3.300 2.133 3.862 0.087 2 0 "[ . 1 . 2]" 1
344 1 23 LEU HA 1 23 LEU MD1 3.050 2.220 4.290 3.599 2.646 3.924 . 0 0 "[ . 1 . 2]" 1
345 1 25 ILE H 1 25 ILE MG 3.050 2.210 4.300 2.638 2.312 3.036 . 0 0 "[ . 1 . 2]" 1
346 1 45 ILE HA 1 45 ILE MG 3.400 2.330 5.000 2.450 2.389 2.503 . 0 0 "[ . 1 . 2]" 1
347 1 25 ILE HG13 1 25 ILE MG 2.940 2.180 4.080 3.252 3.243 3.259 . 0 0 "[ . 1 . 2]" 1
348 1 53 ILE HA 1 53 ILE MG 2.870 2.160 3.940 2.384 2.304 2.569 . 0 0 "[ . 1 . 2]" 1
349 1 51 LYS HD3 1 53 ILE MG 2.780 2.130 3.760 2.615 2.175 3.167 . 0 0 "[ . 1 . 2]" 1
350 1 17 ILE HG12 1 53 ILE MG 3.410 2.330 5.020 3.684 2.287 5.041 0.043 15 0 "[ . 1 . 2]" 1
351 1 53 ILE HG13 1 53 ILE MG 2.930 2.180 4.050 3.252 3.243 3.274 . 0 0 "[ . 1 . 2]" 1
352 1 31 VAL HA 1 31 VAL MG2 3.220 2.280 4.640 2.449 2.286 3.288 . 0 0 "[ . 1 . 2]" 1
353 1 55 VAL HA 1 55 VAL MG2 3.250 2.290 4.700 3.271 3.249 3.307 . 0 0 "[ . 1 . 2]" 1
354 1 43 VAL MG2 1 57 PRO HA 2.980 2.190 4.160 2.500 2.080 3.693 0.110 10 0 "[ . 1 . 2]" 1
355 1 52 VAL HA 1 52 VAL MG2 3.430 2.340 5.070 2.480 2.395 2.583 . 0 0 "[ . 1 . 2]" 1
356 1 52 VAL HA 1 52 VAL MG1 3.240 2.280 4.680 2.434 2.350 2.497 . 0 0 "[ . 1 . 2]" 1
357 1 55 VAL HA 1 55 VAL MG1 3.250 2.290 4.700 2.415 2.318 2.503 . 0 0 "[ . 1 . 2]" 1
358 1 62 LEU HA 1 62 LEU MD1 3.280 2.290 4.770 2.260 2.219 2.323 0.071 11 0 "[ . 1 . 2]" 1
359 1 62 LEU MD1 1 66 LEU MD2 3.530 2.380 5.260 3.061 2.495 3.536 . 0 0 "[ . 1 . 2]" 1
360 1 57 PRO HA 1 62 LEU MD2 3.310 2.310 4.820 2.345 2.101 2.869 0.209 7 0 "[ . 1 . 2]" 1
361 1 62 LEU HB3 1 62 LEU MD2 3.570 2.390 5.340 2.330 2.303 2.347 0.087 8 0 "[ . 1 . 2]" 1
362 1 43 VAL MG2 1 62 LEU MD2 2.930 2.180 4.060 2.432 1.996 3.734 0.184 13 0 "[ . 1 . 2]" 1
363 1 43 VAL MG1 1 62 LEU MD2 2.940 2.180 4.080 2.357 2.063 3.064 0.117 8 0 "[ . 1 . 2]" 1
364 1 61 TRP HZ3 1 65 LEU MD1 4.180 2.590 6.570 4.149 2.502 5.554 0.088 16 0 "[ . 1 . 2]" 1
365 1 65 LEU HA 1 65 LEU MD1 3.520 2.370 5.240 2.330 2.193 2.788 0.177 9 0 "[ . 1 . 2]" 1
366 1 65 LEU HB2 1 65 LEU MD1 3.480 2.360 5.160 3.102 2.426 3.283 . 0 0 "[ . 1 . 2]" 1
367 1 66 LEU HA 1 66 LEU MD2 3.000 2.200 4.200 2.142 2.116 2.164 0.084 9 0 "[ . 1 . 2]" 1
368 1 66 LEU HB3 1 66 LEU MD2 3.130 2.240 4.470 2.487 2.449 2.536 . 0 0 "[ . 1 . 2]" 1
369 1 62 LEU MD2 1 66 LEU MD1 3.430 2.340 5.060 2.829 2.448 3.488 . 0 0 "[ . 1 . 2]" 1
370 1 74 LEU HA 1 74 LEU MD2 3.330 2.310 4.860 3.211 2.179 4.021 0.131 9 0 "[ . 1 . 2]" 1
371 1 74 LEU HB3 1 74 LEU MD2 3.370 2.320 4.940 2.563 2.300 3.271 0.020 7 0 "[ . 1 . 2]" 1
372 1 74 LEU HA 1 74 LEU MD1 3.330 2.310 4.860 3.038 2.181 4.168 0.129 2 0 "[ . 1 . 2]" 1
373 1 26 ILE HG13 1 26 ILE MG 3.200 2.270 4.590 2.431 2.355 2.482 . 0 0 "[ . 1 . 2]" 1
374 1 66 LEU HB2 1 66 LEU MD1 3.260 2.280 4.720 2.401 2.370 2.440 . 0 0 "[ . 1 . 2]" 1
375 1 51 LYS HA 1 51 LYS HD2 4.200 2.600 6.600 4.447 4.071 4.803 . 0 0 "[ . 1 . 2]" 1
376 1 51 LYS HA 1 51 LYS HD3 4.590 2.730 7.380 3.815 2.982 5.049 . 0 0 "[ . 1 . 2]" 1
377 1 47 THR MG 1 51 LYS HD2 3.110 2.240 4.410 3.724 2.876 4.454 0.044 19 0 "[ . 1 . 2]" 1
378 1 53 ILE HB 1 53 ILE MD 3.180 2.260 4.560 2.457 2.414 2.491 . 0 0 "[ . 1 . 2]" 1
379 1 51 LYS HB2 1 52 VAL H 4.110 2.570 6.420 4.319 4.075 4.469 . 0 0 "[ . 1 . 2]" 1
380 1 51 LYS HB3 1 52 VAL H 4.110 2.570 6.420 4.146 4.030 4.265 . 0 0 "[ . 1 . 2]" 1
381 1 21 VAL HB 1 26 ILE MD 3.380 2.320 4.960 3.428 2.392 4.456 . 0 0 "[ . 1 . 2]" 1
382 1 23 LEU HG 1 26 ILE HG12 3.430 2.340 5.060 4.466 4.026 4.817 . 0 0 "[ . 1 . 2]" 1
383 1 23 LEU HG 1 26 ILE HG13 2.920 2.170 4.040 3.815 3.212 4.113 0.073 2 0 "[ . 1 . 2]" 1
384 1 43 VAL MG2 1 57 PRO HG3 3.910 2.500 6.020 3.857 2.386 4.790 0.114 14 0 "[ . 1 . 2]" 1
385 1 49 MET HA 1 49 MET HG2 3.290 2.290 4.780 3.353 2.575 3.851 . 0 0 "[ . 1 . 2]" 1
386 1 49 MET HA 1 49 MET HG3 3.290 2.290 4.780 3.103 2.560 3.915 . 0 0 "[ . 1 . 2]" 1
387 1 67 ARG HA 1 67 ARG HD2 3.960 2.520 6.120 3.938 2.365 4.929 0.155 1 0 "[ . 1 . 2]" 1
388 1 67 ARG HA 1 67 ARG HD3 3.960 2.520 6.120 4.002 2.346 4.859 0.174 15 0 "[ . 1 . 2]" 1
389 1 80 ALA HA 1 81 PRO HD2 3.190 2.270 4.580 2.449 2.149 2.960 0.121 3 0 "[ . 1 . 2]" 1
390 1 77 THR HA 1 78 PRO HD2 3.130 2.240 4.470 2.528 2.241 3.078 . 0 0 "[ . 1 . 2]" 1
391 1 80 ALA HA 1 81 PRO HD3 3.190 2.270 4.580 2.402 2.183 2.868 0.087 9 0 "[ . 1 . 2]" 1
392 1 77 THR HA 1 78 PRO HD3 3.130 2.240 4.470 2.351 2.118 2.940 0.122 18 0 "[ . 1 . 2]" 1
393 1 62 LEU HB2 1 62 LEU MD2 3.570 2.390 5.340 2.528 2.470 2.607 . 0 0 "[ . 1 . 2]" 1
394 1 55 VAL HB 1 62 LEU MD2 3.730 2.440 5.660 3.954 2.993 4.772 . 0 0 "[ . 1 . 2]" 1
395 1 43 VAL HB 1 62 LEU MD2 3.620 2.410 5.440 3.290 2.366 4.312 0.044 1 0 "[ . 1 . 2]" 1
396 1 62 LEU HA 1 62 LEU MD2 3.490 2.360 5.190 3.987 3.960 4.027 . 0 0 "[ . 1 . 2]" 1
397 1 61 TRP HZ2 1 62 LEU MD2 4.480 2.690 7.160 5.460 4.334 6.412 . 0 0 "[ . 1 . 2]" 1
398 1 62 LEU HG 1 66 LEU MD1 3.530 2.380 5.250 2.748 2.319 3.425 0.061 6 0 "[ . 1 . 2]" 1
399 1 63 GLN HA 1 66 LEU MD1 3.700 2.430 5.600 2.420 2.320 2.653 0.110 2 0 "[ . 1 . 2]" 1
400 1 66 LEU H 1 66 LEU MD1 3.910 2.500 6.020 3.720 3.625 3.836 . 0 0 "[ . 1 . 2]" 1
401 1 55 VAL MG1 1 61 TRP HH2 3.530 2.380 5.250 3.222 2.228 4.527 0.152 19 0 "[ . 1 . 2]" 1
402 1 55 VAL MG1 1 61 TRP HZ2 3.670 2.420 5.540 2.372 2.272 2.784 0.148 17 0 "[ . 1 . 2]" 1
403 1 52 VAL MG2 1 53 ILE H 3.640 2.410 5.490 4.201 4.077 4.358 . 0 0 "[ . 1 . 2]" 1
404 1 20 VAL HA 1 20 VAL MG2 3.620 2.410 5.440 2.585 2.353 3.307 0.057 15 0 "[ . 1 . 2]" 1
405 1 20 VAL HA 1 20 VAL MG1 3.620 2.410 5.440 2.699 2.390 3.320 0.020 5 0 "[ . 1 . 2]" 1
406 1 56 ASN HB2 1 59 ALA MB 3.850 2.480 5.900 3.385 2.428 4.781 0.052 14 0 "[ . 1 . 2]" 1
407 1 56 ASN HB3 1 59 ALA MB 3.850 2.480 5.900 4.450 3.520 5.496 . 0 0 "[ . 1 . 2]" 1
408 1 59 ALA MB 1 62 LEU HB3 4.050 2.550 6.300 2.630 2.404 2.979 0.146 11 0 "[ . 1 . 2]" 1
409 1 17 ILE HA 1 17 ILE MG 3.090 2.230 4.380 2.319 2.234 2.400 . 0 0 "[ . 1 . 2]" 1
410 1 17 ILE MD 1 19 THR MG 3.890 2.490 5.980 4.385 3.525 5.587 . 0 0 "[ . 1 . 2]" 1
411 1 17 ILE HA 1 17 ILE MD 3.500 2.370 5.200 3.914 3.750 4.282 . 0 0 "[ . 1 . 2]" 1
412 1 17 ILE H 1 17 ILE MD 3.680 2.430 5.560 3.273 2.564 3.976 . 0 0 "[ . 1 . 2]" 1
413 1 53 ILE HA 1 53 ILE MD 3.770 2.460 5.740 4.269 4.243 4.286 . 0 0 "[ . 1 . 2]" 1
414 1 45 ILE H 1 53 ILE MD 4.030 2.550 6.260 4.247 3.874 4.993 . 0 0 "[ . 1 . 2]" 1
415 1 53 ILE H 1 53 ILE MD 4.220 2.600 6.640 3.990 3.879 4.066 . 0 0 "[ . 1 . 2]" 1
416 1 23 LEU HA 1 26 ILE MD 3.540 2.380 5.280 3.618 3.225 3.895 . 0 0 "[ . 1 . 2]" 1
417 1 21 VAL HA 1 25 ILE MD 3.690 2.430 5.580 3.413 2.466 4.490 . 0 0 "[ . 1 . 2]" 1
418 1 26 ILE HA 1 26 ILE MG 3.370 2.320 4.940 2.485 2.416 2.534 . 0 0 "[ . 1 . 2]" 1
419 1 26 ILE MG 1 27 ASP HA 3.470 2.350 5.140 3.956 3.688 4.242 . 0 0 "[ . 1 . 2]" 1
420 1 53 ILE MG 1 54 CYS H 3.280 2.290 4.770 3.796 3.483 4.041 . 0 0 "[ . 1 . 2]" 1
421 1 53 ILE H 1 53 ILE MG 3.410 2.330 5.020 3.023 2.489 3.442 . 0 0 "[ . 1 . 2]" 1
422 1 16 VAL HA 1 16 VAL MG2 3.320 2.310 4.830 3.055 2.483 3.296 . 0 0 "[ . 1 . 2]" 1
423 1 16 VAL MG2 1 17 ILE H 3.640 2.410 5.480 3.671 3.155 4.227 . 0 0 "[ . 1 . 2]" 1
424 1 44 VAL MG2 1 45 ILE H 3.800 2.470 5.800 4.249 3.996 4.360 . 0 0 "[ . 1 . 2]" 1
425 1 55 VAL MG2 1 61 TRP HH2 3.530 2.380 5.250 3.757 2.542 5.264 0.014 13 0 "[ . 1 . 2]" 1
426 1 55 VAL MG2 1 61 TRP HZ2 3.670 2.420 5.540 3.467 2.457 4.454 . 0 0 "[ . 1 . 2]" 1
427 1 21 VAL MG1 1 22 GLY H 3.680 2.430 5.560 3.115 2.436 3.995 . 0 0 "[ . 1 . 2]" 1
428 1 43 VAL MG2 1 44 VAL H 3.870 2.490 5.940 4.287 4.139 4.356 . 0 0 "[ . 1 . 2]" 1
429 1 59 ALA MB 1 62 LEU HB2 4.050 2.550 6.300 2.504 2.372 2.644 0.178 16 0 "[ . 1 . 2]" 1
430 1 47 THR MG 1 52 VAL H 4.950 2.850 8.100 5.457 4.964 5.668 . 0 0 "[ . 1 . 2]" 1
431 1 47 THR MG 1 51 LYS HA 4.110 2.570 6.420 5.177 4.679 5.336 . 0 0 "[ . 1 . 2]" 1
432 1 47 THR MG 1 52 VAL HA 4.270 2.620 6.740 4.677 4.229 5.078 . 0 0 "[ . 1 . 2]" 1
433 1 25 ILE HB 1 47 THR MG 3.970 2.530 6.140 3.860 3.372 4.511 . 0 0 "[ . 1 . 2]" 1
434 1 41 THR H 1 41 THR MG 3.740 2.450 5.680 3.727 2.283 3.837 0.167 2 0 "[ . 1 . 2]" 1
435 1 31 VAL HA 1 43 VAL MG1 3.560 2.390 5.320 3.513 2.888 4.030 . 0 0 "[ . 1 . 2]" 1
436 1 44 VAL MG2 1 52 VAL MG1 3.720 2.440 5.640 3.793 2.826 4.117 . 0 0 "[ . 1 . 2]" 1
437 1 23 LEU MD2 1 68 HIS HB3 4.010 2.530 6.220 4.722 2.921 5.812 . 0 0 "[ . 1 . 2]" 1
438 1 23 LEU MD2 1 68 HIS HB2 4.010 2.530 6.220 4.633 2.427 5.683 0.103 12 0 "[ . 1 . 2]" 1
439 1 23 LEU MD1 1 68 HIS HB3 4.010 2.530 6.220 4.334 2.888 6.258 0.038 13 0 "[ . 1 . 2]" 1
440 1 23 LEU MD1 1 68 HIS HB2 4.010 2.530 6.220 3.971 2.737 6.344 0.124 13 0 "[ . 1 . 2]" 1
441 1 22 GLY H 1 25 ILE MG 3.950 2.510 6.100 4.411 3.943 4.935 . 0 0 "[ . 1 . 2]" 1
442 1 24 ASN HB3 1 25 ILE MG 3.830 2.470 5.860 3.115 2.730 4.714 . 0 0 "[ . 1 . 2]" 1
443 1 24 ASN HB2 1 25 ILE MG 3.830 2.470 5.860 4.393 2.833 4.672 . 0 0 "[ . 1 . 2]" 1
444 1 53 ILE HG12 1 53 ILE MG 2.930 2.180 4.050 2.444 2.410 2.485 . 0 0 "[ . 1 . 2]" 1
445 1 53 ILE MD 1 53 ILE MG 2.610 2.070 3.420 2.051 2.019 2.070 0.051 15 0 "[ . 1 . 2]" 1
446 1 44 VAL MG1 1 45 ILE H 3.800 2.470 5.800 3.331 2.618 4.114 . 0 0 "[ . 1 . 2]" 1
447 1 44 VAL HA 1 44 VAL MG1 3.550 2.380 5.300 2.440 2.306 2.496 0.074 12 0 "[ . 1 . 2]" 1
448 1 61 TRP HZ3 1 62 LEU MD1 4.450 2.680 7.110 3.953 2.866 6.048 . 0 0 "[ . 1 . 2]" 1
449 1 61 TRP HH2 1 62 LEU MD1 4.670 2.750 7.540 4.041 3.199 5.518 . 0 0 "[ . 1 . 2]" 1
450 1 62 LEU MD1 1 66 LEU HG 3.650 2.420 5.500 3.409 3.029 3.985 . 0 0 "[ . 1 . 2]" 1
451 1 61 TRP HZ3 1 65 LEU MD2 4.180 2.590 6.570 2.945 2.472 3.624 0.118 16 0 "[ . 1 . 2]" 1
452 1 65 LEU HA 1 65 LEU MD2 3.520 2.370 5.240 2.901 2.325 3.934 0.045 5 0 "[ . 1 . 2]" 1
453 1 65 LEU MD1 1 66 LEU H 4.040 2.550 6.280 4.730 4.138 4.887 . 0 0 "[ . 1 . 2]" 1
454 1 47 THR MG 1 53 ILE MD 2.780 2.130 3.750 2.912 2.389 3.641 . 0 0 "[ . 1 . 2]" 1
455 1 62 LEU MD1 1 65 LEU MD2 3.820 2.470 5.840 3.211 2.436 4.238 0.034 16 0 "[ . 1 . 2]" 1
456 1 46 TRP HA 1 52 VAL MG1 3.810 2.470 5.820 4.225 3.548 4.732 . 0 0 "[ . 1 . 2]" 1
457 1 46 TRP HD1 1 52 VAL MG1 4.270 2.620 6.740 4.731 4.052 5.397 . 0 0 "[ . 1 . 2]" 1
458 1 46 TRP HH2 1 52 VAL MG1 4.610 2.740 7.410 4.809 3.908 5.448 . 0 0 "[ . 1 . 2]" 1
459 1 62 LEU MD1 1 65 LEU HB2 3.820 2.470 5.850 2.529 2.313 4.160 0.157 13 0 "[ . 1 . 2]" 1
460 1 62 LEU MD1 1 65 LEU HB3 3.960 2.520 6.120 3.207 2.779 3.715 . 0 0 "[ . 1 . 2]" 1
461 1 57 PRO HA 1 62 LEU MD1 4.400 2.670 7.000 4.804 4.528 5.300 . 0 0 "[ . 1 . 2]" 1
462 1 66 LEU HB2 1 66 LEU MD2 3.130 2.240 4.470 3.264 3.256 3.277 . 0 0 "[ . 1 . 2]" 1
463 1 66 LEU HB3 1 66 LEU MD1 3.260 2.280 4.720 2.446 2.417 2.485 . 0 0 "[ . 1 . 2]" 1
464 1 26 ILE HG12 1 26 ILE MG 3.120 2.240 4.440 3.261 3.245 3.269 . 0 0 "[ . 1 . 2]" 1
465 1 64 ARG H 1 65 LEU HB2 4.110 2.570 6.420 4.578 4.375 4.847 . 0 0 "[ . 1 . 2]" 1
466 1 17 ILE H 1 17 ILE HG12 3.620 2.410 5.440 3.378 2.221 3.878 0.189 11 0 "[ . 1 . 2]" 1
467 1 17 ILE H 1 17 ILE HG13 3.520 2.370 5.240 2.448 2.116 3.191 0.254 5 0 "[ . 1 . 2]" 1
468 1 34 PRO HG3 1 35 GLY H 4.190 2.590 6.580 5.446 4.688 5.917 . 0 0 "[ . 1 . 2]" 1
469 1 25 ILE H 1 25 ILE HG12 3.610 2.400 5.430 2.355 2.292 2.481 0.108 18 0 "[ . 1 . 2]" 1
470 1 66 LEU H 1 67 ARG HB2 4.950 2.850 8.100 4.900 4.651 5.137 . 0 0 "[ . 1 . 2]" 1
471 1 66 LEU H 1 67 ARG HB3 4.950 2.850 8.100 5.257 4.608 6.301 . 0 0 "[ . 1 . 2]" 1
472 1 51 LYS H 1 51 LYS HD2 4.050 2.550 6.300 5.025 4.779 5.194 . 0 0 "[ . 1 . 2]" 1
473 1 21 VAL HB 1 61 TRP HZ3 4.290 2.630 6.780 4.192 2.635 6.221 . 0 0 "[ . 1 . 2]" 1
474 1 21 VAL HB 1 61 TRP HH2 4.450 2.680 7.100 3.673 2.608 5.312 0.072 18 0 "[ . 1 . 2]" 1
475 1 53 ILE H 1 53 ILE HB 3.500 2.370 5.200 3.852 3.788 3.901 . 0 0 "[ . 1 . 2]" 1
476 1 67 ARG H 1 67 ARG HD2 4.950 2.850 8.100 5.092 4.233 6.015 . 0 0 "[ . 1 . 2]" 1
477 1 67 ARG H 1 67 ARG HD3 4.950 2.850 8.100 4.970 3.757 6.027 . 0 0 "[ . 1 . 2]" 1
478 1 27 ASP H 1 27 ASP HB2 3.500 2.370 5.200 2.875 2.671 3.076 . 0 0 "[ . 1 . 2]" 1
479 1 45 ILE MG 1 47 THR MG 3.030 2.210 4.260 3.065 2.222 3.464 . 0 0 "[ . 1 . 2]" 1
480 1 25 ILE HG12 1 25 ILE MG 2.940 2.180 4.080 2.440 2.412 2.478 . 0 0 "[ . 1 . 2]" 1
481 1 25 ILE MG 1 49 MET ME 3.260 2.290 4.710 3.136 2.230 4.849 0.139 3 0 "[ . 1 . 2]" 1
482 1 26 ILE MD 1 27 ASP HA 4.710 2.770 7.620 6.004 5.923 6.087 . 0 0 "[ . 1 . 2]" 1
483 1 25 ILE MD 1 47 THR HB 3.430 2.340 5.070 3.480 2.798 3.863 . 0 0 "[ . 1 . 2]" 1
484 1 25 ILE HA 1 25 ILE MD 3.610 2.400 5.430 4.250 4.232 4.275 . 0 0 "[ . 1 . 2]" 1
485 1 25 ILE MD 1 49 MET ME 3.360 2.320 4.920 2.678 2.222 4.158 0.098 7 0 "[ . 1 . 2]" 1
486 1 26 ILE HB 1 26 ILE MD 3.190 2.270 4.580 3.285 3.272 3.295 . 0 0 "[ . 1 . 2]" 1
487 1 45 ILE MD 1 62 LEU HA 4.390 2.660 6.990 4.509 4.135 4.785 . 0 0 "[ . 1 . 2]" 1
488 1 29 ILE HB 1 29 ILE MD 3.050 2.220 4.290 2.470 2.386 2.536 . 0 0 "[ . 1 . 2]" 1
489 1 49 MET HA 1 49 MET ME 4.020 2.540 6.240 4.413 4.158 4.759 . 0 0 "[ . 1 . 2]" 1
490 1 12 ARG HA 1 12 ARG HD2 4.650 2.750 7.500 4.438 2.620 5.630 0.130 11 0 "[ . 1 . 2]" 1
491 1 12 ARG HA 1 12 ARG HD3 4.650 2.750 7.500 4.404 3.093 4.901 . 0 0 "[ . 1 . 2]" 1
492 1 17 ILE MD 1 19 THR HB 3.900 2.500 6.000 3.964 2.412 5.477 0.088 12 0 "[ . 1 . 2]" 1
493 1 16 VAL HA 1 17 ILE HG13 4.070 2.550 6.340 4.208 3.401 5.408 . 0 0 "[ . 1 . 2]" 1
494 1 23 LEU HA 1 26 ILE MG 3.680 2.430 5.560 4.261 3.679 4.711 . 0 0 "[ . 1 . 2]" 1
495 1 23 LEU HA 1 25 ILE H 4.860 2.820 7.920 4.066 3.730 4.241 . 0 0 "[ . 1 . 2]" 1
496 1 51 LYS HD2 1 52 VAL H 4.240 2.610 6.690 4.712 4.082 5.705 . 0 0 "[ . 1 . 2]" 1
497 1 24 ASN HB3 1 25 ILE H 4.350 2.650 6.900 3.078 2.813 4.202 . 0 0 "[ . 1 . 2]" 1
498 1 24 ASN HB2 1 25 ILE H 4.350 2.650 6.900 4.063 2.977 4.213 . 0 0 "[ . 1 . 2]" 1
499 1 25 ILE HB 1 47 THR HB 3.910 2.510 6.020 3.193 2.640 3.893 . 0 0 "[ . 1 . 2]" 1
500 1 26 ILE HA 1 47 THR HA 3.900 2.500 6.000 2.652 2.456 2.954 0.044 7 0 "[ . 1 . 2]" 1
501 1 26 ILE HA 1 26 ILE MD 3.750 2.450 5.700 2.304 2.255 2.354 0.195 6 0 "[ . 1 . 2]" 1
502 1 25 ILE MD 1 47 THR MG 2.690 2.090 3.580 2.938 2.349 3.541 . 0 0 "[ . 1 . 2]" 1
503 1 23 LEU HG 1 26 ILE MD 3.940 2.510 6.080 5.093 4.181 5.439 . 0 0 "[ . 1 . 2]" 1
504 1 45 ILE HB 1 45 ILE MD 3.160 2.250 4.520 2.483 2.432 2.524 . 0 0 "[ . 1 . 2]" 1
505 1 25 ILE HB 1 25 ILE MD 2.940 2.180 4.080 2.455 2.404 2.517 . 0 0 "[ . 1 . 2]" 1
506 1 57 PRO HG2 1 58 ARG HA 3.970 2.530 6.140 4.788 4.345 6.162 0.022 14 0 "[ . 1 . 2]" 1
507 1 41 THR HB 1 57 PRO HG3 3.550 2.380 5.310 2.918 2.233 4.743 0.147 12 0 "[ . 1 . 2]" 1
508 1 29 ILE HA 1 29 ILE MG 3.390 2.330 4.980 2.498 2.417 2.583 . 0 0 "[ . 1 . 2]" 1
509 1 26 ILE MG 1 27 ASP H 3.320 2.300 4.840 2.850 2.549 3.288 . 0 0 "[ . 1 . 2]" 1
510 1 27 ASP HB2 1 48 LYS HA 3.530 2.380 5.260 2.368 2.266 2.716 0.114 8 0 "[ . 1 . 2]" 1
511 1 29 ILE MD 1 65 LEU MD1 3.630 2.410 5.460 2.883 2.275 4.359 0.135 13 0 "[ . 1 . 2]" 1
512 1 43 VAL HB 1 57 PRO HA 3.880 2.490 5.970 4.177 3.211 5.681 . 0 0 "[ . 1 . 2]" 1
513 1 31 VAL HA 1 31 VAL MG1 3.220 2.280 4.640 2.814 2.434 3.309 . 0 0 "[ . 1 . 2]" 1
514 1 40 LYS H 1 40 LYS HG3 4.100 2.560 6.400 3.834 2.590 4.742 . 0 0 "[ . 1 . 2]" 1
515 1 40 LYS H 1 40 LYS HG2 4.100 2.560 6.400 3.679 2.567 5.023 . 0 0 "[ . 1 . 2]" 1
516 1 21 VAL MG1 1 47 THR MG 3.340 2.310 4.890 3.110 2.165 4.060 0.145 20 0 "[ . 1 . 2]" 1
517 1 60 LYS HA 1 60 LYS HD2 4.650 2.750 7.500 4.495 2.564 4.960 0.186 13 0 "[ . 1 . 2]" 1
518 1 60 LYS HA 1 60 LYS HD3 4.650 2.750 7.500 4.565 2.980 5.606 . 0 0 "[ . 1 . 2]" 1
519 1 51 LYS HD3 1 53 ILE HA 3.650 2.420 5.500 4.585 3.861 5.602 0.102 1 0 "[ . 1 . 2]" 1
520 1 23 LEU HA 1 26 ILE HG12 3.200 2.260 4.600 2.335 2.161 2.505 0.099 3 0 "[ . 1 . 2]" 1
521 1 47 THR MG 1 53 ILE MG 3.190 2.270 4.580 3.196 2.511 4.494 . 0 0 "[ . 1 . 2]" 1
522 1 17 ILE HB 1 53 ILE MG 3.480 2.360 5.160 4.476 3.712 5.188 0.028 10 0 "[ . 1 . 2]" 1
523 1 48 LYS H 1 48 LYS HD2 4.950 2.850 8.100 4.413 3.378 5.005 . 0 0 "[ . 1 . 2]" 1
524 1 48 LYS H 1 48 LYS HD3 4.950 2.850 8.100 4.521 3.953 4.902 . 0 0 "[ . 1 . 2]" 1
525 1 62 LEU HA 1 65 LEU HB3 4.370 2.660 6.940 4.278 2.596 5.114 0.064 14 0 "[ . 1 . 2]" 1
526 1 62 LEU HA 1 65 LEU HG 4.750 2.780 7.700 3.942 3.130 4.897 . 0 0 "[ . 1 . 2]" 1
527 1 29 ILE MG 1 62 LEU MD1 3.560 2.390 5.320 2.986 2.183 3.863 0.207 5 0 "[ . 1 . 2]" 1
528 1 62 LEU MD1 1 66 LEU MD1 3.850 2.480 5.900 3.828 3.230 4.530 . 0 0 "[ . 1 . 2]" 1
529 1 45 ILE MD 1 62 LEU MD1 3.050 2.210 4.300 2.184 2.002 2.830 0.208 2 0 "[ . 1 . 2]" 1
530 1 65 LEU HB2 1 65 LEU MD2 3.480 2.360 5.160 2.480 2.369 2.576 . 0 0 "[ . 1 . 2]" 1
531 1 62 LEU HA 1 65 LEU HB2 3.810 2.470 5.820 2.772 2.371 3.512 0.099 4 0 "[ . 1 . 2]" 1
532 1 29 ILE MD 1 65 LEU MD2 3.630 2.410 5.460 3.683 2.290 4.743 0.120 2 0 "[ . 1 . 2]" 1
533 1 62 LEU MD1 1 65 LEU MD1 3.820 2.470 5.840 4.083 3.275 4.637 . 0 0 "[ . 1 . 2]" 1
534 1 45 ILE HB 1 53 ILE MD 3.350 2.310 4.900 2.409 2.262 3.046 0.048 11 0 "[ . 1 . 2]" 1
535 1 65 LEU HA 1 68 HIS HB3 3.940 2.510 6.080 2.981 2.480 4.232 0.030 15 0 "[ . 1 . 2]" 1
536 1 65 LEU HA 1 68 HIS HB2 3.940 2.510 6.080 2.990 2.448 3.685 0.062 7 0 "[ . 1 . 2]" 1
537 1 67 ARG HA 1 70 GLN HB3 3.760 2.450 5.720 3.178 2.421 4.591 0.029 19 0 "[ . 1 . 2]" 1
538 1 67 ARG HA 1 70 GLN HB2 3.760 2.450 5.720 3.469 2.483 5.241 . 0 0 "[ . 1 . 2]" 1
539 1 74 LEU HB2 1 74 LEU MD2 3.370 2.320 4.940 2.788 2.376 3.290 . 0 0 "[ . 1 . 2]" 1
540 1 74 LEU HB2 1 74 LEU MD1 3.370 2.320 4.940 2.559 2.276 3.286 0.044 16 0 "[ . 1 . 2]" 1
541 1 74 LEU HB3 1 74 LEU MD1 3.370 2.320 4.940 2.799 2.362 3.268 . 0 0 "[ . 1 . 2]" 1
542 1 79 GLN HA 1 80 ALA MB 3.870 2.490 5.940 4.096 3.885 4.967 . 0 0 "[ . 1 . 2]" 1
543 1 20 VAL MG2 1 61 TRP HB2 4.450 2.680 7.110 4.173 2.643 5.861 0.037 3 0 "[ . 1 . 2]" 1
544 1 20 VAL MG2 1 61 TRP HB3 4.450 2.680 7.110 3.795 2.543 5.946 0.137 9 0 "[ . 1 . 2]" 1
545 1 20 VAL MG1 1 61 TRP HB2 4.450 2.680 7.110 3.856 2.560 6.358 0.120 9 0 "[ . 1 . 2]" 1
546 1 20 VAL MG1 1 61 TRP HB3 4.450 2.680 7.110 3.789 2.484 6.312 0.196 13 0 "[ . 1 . 2]" 1
547 1 17 ILE MD 1 18 SER HA 4.000 2.530 6.200 4.176 3.201 5.768 . 0 0 "[ . 1 . 2]" 1
548 1 17 ILE MD 1 55 VAL HA 4.720 2.780 7.640 4.520 3.001 6.544 . 0 0 "[ . 1 . 2]" 1
549 1 17 ILE MD 1 19 THR HA 4.180 2.590 6.570 4.696 3.921 5.888 . 0 0 "[ . 1 . 2]" 1
550 1 59 ALA MB 1 61 TRP H 4.320 2.640 6.840 3.375 3.184 3.651 . 0 0 "[ . 1 . 2]" 1
551 1 59 ALA MB 1 60 LYS H 4.240 2.610 6.690 3.080 2.629 3.323 . 0 0 "[ . 1 . 2]" 1
552 1 59 ALA MB 1 62 LEU MD2 3.870 2.490 5.940 2.882 2.619 3.103 . 0 0 "[ . 1 . 2]" 1
553 1 17 ILE HG12 1 55 VAL HA 4.040 2.550 6.280 5.298 3.685 6.304 0.024 6 0 "[ . 1 . 2]" 1
554 1 17 ILE HG13 1 55 VAL HA 4.610 2.730 7.420 4.552 2.999 6.657 . 0 0 "[ . 1 . 2]" 1
555 1 17 ILE HG12 1 19 THR H 4.350 2.650 6.900 4.879 4.248 6.276 . 0 0 "[ . 1 . 2]" 1
556 1 45 ILE MD 1 61 TRP HZ2 3.420 2.340 5.040 3.582 2.265 5.057 0.075 13 0 "[ . 1 . 2]" 1
557 1 29 ILE MD 1 62 LEU MD1 3.640 2.410 5.480 2.731 2.267 3.953 0.143 19 0 "[ . 1 . 2]" 1
558 1 25 ILE HA 1 25 ILE MG 2.860 2.150 3.920 2.411 2.342 2.510 . 0 0 "[ . 1 . 2]" 1
559 1 25 ILE MG 1 47 THR HB 4.350 2.650 6.900 4.694 4.211 5.292 . 0 0 "[ . 1 . 2]" 1
560 1 17 ILE H 1 17 ILE MG 3.250 2.290 4.700 2.956 2.390 3.371 . 0 0 "[ . 1 . 2]" 1
561 1 28 ARG HA 1 29 ILE MD 4.280 2.630 6.750 4.953 4.749 5.122 . 0 0 "[ . 1 . 2]" 1
562 1 29 ILE HA 1 29 ILE MD 4.030 2.550 6.260 3.910 3.863 3.968 . 0 0 "[ . 1 . 2]" 1
563 1 26 ILE MD 1 26 ILE MG 2.560 2.060 3.320 2.072 2.030 2.134 0.030 3 0 "[ . 1 . 2]" 1
564 1 29 ILE MG 1 30 GLN HA 3.920 2.500 6.040 3.832 3.314 4.134 . 0 0 "[ . 1 . 2]" 1
565 1 26 ILE MG 1 28 ARG HA 3.740 2.450 5.680 3.715 3.385 4.344 . 0 0 "[ . 1 . 2]" 1
566 1 26 ILE MG 1 47 THR HA 4.110 2.570 6.420 4.214 3.939 4.652 . 0 0 "[ . 1 . 2]" 1
567 1 29 ILE MG 1 31 VAL H 3.740 2.450 5.680 4.088 3.521 4.729 . 0 0 "[ . 1 . 2]" 1
568 1 17 ILE HG12 1 53 ILE MD 4.240 2.610 6.690 3.191 2.504 4.989 0.106 19 0 "[ . 1 . 2]" 1
569 1 45 ILE MG 1 53 ILE MD 3.110 2.230 4.420 2.707 2.426 2.997 . 0 0 "[ . 1 . 2]" 1
570 1 45 ILE MD 1 53 ILE MD 3.240 2.280 4.680 2.588 2.205 3.235 0.075 11 0 "[ . 1 . 2]" 1
571 1 17 ILE HB 1 53 ILE MD 4.470 2.690 7.140 4.814 4.272 5.594 . 0 0 "[ . 1 . 2]" 1
572 1 52 VAL HA 1 53 ILE MD 4.480 2.690 7.160 5.423 5.133 5.729 . 0 0 "[ . 1 . 2]" 1
573 1 47 THR HB 1 53 ILE MD 4.650 2.750 7.500 5.518 4.892 6.474 . 0 0 "[ . 1 . 2]" 1
574 1 52 VAL HA 1 53 ILE MG 3.710 2.440 5.620 4.074 3.813 4.361 . 0 0 "[ . 1 . 2]" 1
575 1 26 ILE HA 1 45 ILE MG 3.820 2.470 5.840 3.266 2.990 3.661 . 0 0 "[ . 1 . 2]" 1
576 1 45 ILE MG 1 46 TRP HA 4.240 2.610 6.680 3.821 3.521 4.147 . 0 0 "[ . 1 . 2]" 1
577 1 45 ILE MG 1 47 THR HA 4.520 2.710 7.240 3.620 3.211 4.120 . 0 0 "[ . 1 . 2]" 1
578 1 29 ILE MD 1 65 LEU HB2 3.940 2.520 6.080 3.551 2.957 4.313 . 0 0 "[ . 1 . 2]" 1
579 1 29 ILE MD 1 65 LEU HB3 3.760 2.450 5.720 2.601 2.216 3.322 0.234 4 0 "[ . 1 . 2]" 1
580 1 44 VAL MG1 1 52 VAL MG1 3.720 2.440 5.640 2.433 2.206 3.314 0.234 11 0 "[ . 1 . 2]" 1
581 1 27 ASP HB2 1 48 LYS HG3 4.630 2.740 7.470 4.467 2.932 5.451 . 0 0 "[ . 1 . 2]" 1
582 1 28 ARG HB2 1 46 TRP HB2 4.950 2.850 8.100 3.597 2.678 4.675 0.172 4 0 "[ . 1 . 2]" 1
583 1 28 ARG HB3 1 46 TRP HB2 4.950 2.850 8.100 3.552 2.644 4.748 0.206 20 0 "[ . 1 . 2]" 1
584 1 28 ARG HB2 1 46 TRP HB3 4.950 2.850 8.100 4.950 3.991 6.288 . 0 0 "[ . 1 . 2]" 1
585 1 28 ARG HB3 1 46 TRP HB3 4.950 2.850 8.100 5.013 3.926 5.995 . 0 0 "[ . 1 . 2]" 1
586 1 25 ILE HB 1 48 LYS HG3 4.290 2.630 6.780 4.000 2.753 4.661 . 0 0 "[ . 1 . 2]" 1
587 1 25 ILE HB 1 48 LYS HG2 4.290 2.630 6.780 3.907 2.474 6.102 0.156 20 0 "[ . 1 . 2]" 1
588 1 27 ASP HB2 1 48 LYS HG2 4.630 2.740 7.470 3.733 2.663 5.208 0.077 2 0 "[ . 1 . 2]" 1
589 1 50 LYS H 1 50 LYS HE2 4.950 2.850 8.100 4.847 3.533 5.866 . 0 0 "[ . 1 . 2]" 1
590 1 50 LYS H 1 50 LYS HE3 4.950 2.850 8.100 4.851 3.095 5.722 . 0 0 "[ . 1 . 2]" 1
591 1 2 LEU H 1 2 LEU QB 2.760 2.120 3.720 2.662 2.259 3.404 . 0 0 "[ . 1 . 2]" 1
592 1 2 LEU H 1 2 LEU QD 3.250 2.290 4.700 2.930 2.130 4.033 0.160 2 0 "[ . 1 . 2]" 1
593 1 2 LEU QB 1 3 GLU H 3.470 2.360 5.130 3.334 2.356 4.033 0.004 12 0 "[ . 1 . 2]" 1
594 1 2 LEU QD 1 3 GLU H 3.650 2.420 5.500 3.465 2.359 4.314 0.061 4 0 "[ . 1 . 2]" 1
595 1 3 GLU H 1 3 GLU QB 2.720 2.100 3.640 2.631 2.326 3.138 . 0 0 "[ . 1 . 2]" 1
596 1 3 GLU H 1 3 GLU QG 3.190 2.270 4.580 2.508 2.047 3.507 0.223 19 0 "[ . 1 . 2]" 1
597 1 3 GLU QB 1 4 ALA H 3.070 2.220 4.340 2.982 2.326 3.847 . 0 0 "[ . 1 . 2]" 1
598 1 3 GLU QG 1 4 ALA H 3.860 2.490 5.910 4.113 3.267 4.988 . 0 0 "[ . 1 . 2]" 1
599 1 6 TYR QB 1 7 THR H 3.530 2.380 5.260 3.293 2.459 4.045 . 0 0 "[ . 1 . 2]" 1
600 1 8 ASN QB 1 9 LEU H 3.510 2.370 5.220 3.407 2.210 4.079 0.160 15 0 "[ . 1 . 2]" 1
601 1 9 LEU H 1 9 LEU QB 2.890 2.160 3.980 2.573 2.200 3.359 . 0 0 "[ . 1 . 2]" 1
602 1 9 LEU H 1 9 LEU QD 3.610 2.400 5.420 3.096 2.276 4.105 0.124 18 0 "[ . 1 . 2]" 1
603 1 9 LEU QB 1 10 LYS H 3.650 2.420 5.500 3.439 2.469 4.027 . 0 0 "[ . 1 . 2]" 1
604 1 9 LEU QD 1 10 LYS H 3.900 2.500 6.000 3.721 2.482 4.427 0.018 20 0 "[ . 1 . 2]" 1
605 1 10 LYS H 1 10 LYS QB 3.220 2.280 4.640 2.846 2.310 3.409 . 0 0 "[ . 1 . 2]" 1
606 1 10 LYS H 1 10 LYS QG 3.260 2.290 4.710 2.544 2.062 3.599 0.228 20 0 "[ . 1 . 2]" 1
607 1 10 LYS QG 1 11 CYS H 3.880 2.500 5.960 3.624 2.935 4.356 . 0 0 "[ . 1 . 2]" 1
608 1 11 CYS H 1 11 CYS QB 2.770 2.130 3.740 2.545 2.382 2.819 . 0 0 "[ . 1 . 2]" 1
609 1 11 CYS H 1 38 CYS QB 3.210 2.270 4.620 3.261 2.221 4.245 0.049 11 0 "[ . 1 . 2]" 1
610 1 11 CYS HA 1 38 CYS QB 4.450 2.680 7.110 4.757 3.444 5.898 . 0 0 "[ . 1 . 2]" 1
611 1 11 CYS QB 1 12 ARG H 3.280 2.300 4.760 3.366 2.709 3.597 . 0 0 "[ . 1 . 2]" 1
612 1 12 ARG H 1 12 ARG QB 3.070 2.220 4.340 2.389 2.202 2.916 0.018 19 0 "[ . 1 . 2]" 1
613 1 12 ARG H 1 12 ARG QG 3.670 2.420 5.540 3.453 2.336 4.098 0.084 9 0 "[ . 1 . 2]" 1
614 1 12 ARG HA 1 12 ARG QG 3.250 2.290 4.700 2.738 2.440 3.561 . 0 0 "[ . 1 . 2]" 1
615 1 12 ARG HA 1 12 ARG QD 4.010 2.530 6.220 3.841 2.486 4.597 0.044 11 0 "[ . 1 . 2]" 1
616 1 12 ARG QB 1 13 CYS H 3.260 2.280 4.720 3.481 2.643 3.911 . 0 0 "[ . 1 . 2]" 1
617 1 13 CYS H 1 13 CYS QB 2.900 2.170 4.000 2.587 2.307 2.767 . 0 0 "[ . 1 . 2]" 1
618 1 15 GLY QA 1 16 VAL H 2.580 2.060 3.360 2.255 2.121 2.417 . 0 0 "[ . 1 . 2]" 1
619 1 16 VAL H 1 16 VAL QG 2.660 2.090 3.520 2.281 2.092 2.836 . 0 0 "[ . 1 . 2]" 1
620 1 16 VAL QG 1 17 ILE H 3.200 2.260 4.600 3.040 2.528 3.422 . 0 0 "[ . 1 . 2]" 1
621 1 16 VAL QG 1 54 CYS QB 4.240 2.610 6.690 3.602 2.468 5.451 0.142 6 0 "[ . 1 . 2]" 1
622 1 17 ILE H 1 55 VAL QG 3.680 2.430 5.560 3.375 2.462 4.855 . 0 0 "[ . 1 . 2]" 1
623 1 17 ILE HG12 1 55 VAL QG 3.340 2.310 4.890 2.935 2.210 4.257 0.100 20 0 "[ . 1 . 2]" 1
624 1 18 SER QB 1 19 THR H 3.590 2.400 5.370 3.516 2.436 4.008 . 0 0 "[ . 1 . 2]" 1
625 1 19 THR HA 1 20 VAL QG 4.040 2.540 6.280 3.788 3.492 4.024 . 0 0 "[ . 1 . 2]" 1
626 1 20 VAL H 1 20 VAL QG 3.180 2.260 4.560 2.285 2.081 2.413 0.179 13 0 "[ . 1 . 2]" 1
627 1 20 VAL QG 1 21 VAL H 3.760 2.450 5.730 3.050 2.648 3.671 . 0 0 "[ . 1 . 2]" 1
628 1 20 VAL QG 1 21 VAL QG 4.140 2.580 6.480 3.881 3.279 4.284 . 0 0 "[ . 1 . 2]" 1
629 1 20 VAL QG 1 61 TRP QB 3.470 2.350 5.140 2.737 2.192 3.954 0.158 9 0 "[ . 1 . 2]" 1
630 1 20 VAL QG 1 61 TRP HE3 4.290 2.630 6.780 4.132 2.948 5.166 . 0 0 "[ . 1 . 2]" 1
631 1 20 VAL QG 1 61 TRP HE1 4.260 2.620 6.720 4.364 3.044 6.586 . 0 0 "[ . 1 . 2]" 1
632 1 21 VAL QG 1 22 GLY H 2.860 2.150 3.920 2.509 2.333 2.740 . 0 0 "[ . 1 . 2]" 1
633 1 21 VAL QG 1 22 GLY QA 3.510 2.370 5.220 3.506 3.307 3.735 . 0 0 "[ . 1 . 2]" 1
634 1 21 VAL QG 1 24 ASN H 4.630 2.750 7.460 5.442 5.106 5.714 . 0 0 "[ . 1 . 2]" 1
635 1 21 VAL QG 1 25 ILE H 3.590 2.400 5.370 4.228 3.894 4.394 . 0 0 "[ . 1 . 2]" 1
636 1 21 VAL QG 1 25 ILE HA 4.630 2.740 7.470 5.392 5.157 5.671 . 0 0 "[ . 1 . 2]" 1
637 1 21 VAL QG 1 25 ILE HB 3.680 2.430 5.560 4.386 4.102 4.657 . 0 0 "[ . 1 . 2]" 1
638 1 21 VAL QG 1 25 ILE QG 3.050 2.220 4.290 2.329 2.179 2.542 0.041 2 0 "[ . 1 . 2]" 1
639 1 21 VAL QG 1 25 ILE MD 2.510 2.030 3.220 2.072 1.939 2.296 0.091 11 0 "[ . 1 . 2]" 1
640 1 21 VAL QG 1 26 ILE H 4.240 2.610 6.680 4.243 3.938 4.477 . 0 0 "[ . 1 . 2]" 1
641 1 21 VAL QG 1 26 ILE HG12 3.110 2.230 4.420 3.210 2.806 3.603 . 0 0 "[ . 1 . 2]" 1
642 1 21 VAL QG 1 26 ILE MD 2.750 2.120 3.700 2.077 1.853 2.232 0.267 8 0 "[ . 1 . 2]" 1
643 1 21 VAL QG 1 47 THR HA 4.000 2.540 6.200 4.633 4.137 5.385 . 0 0 "[ . 1 . 2]" 1
644 1 21 VAL QG 1 47 THR MG 2.860 2.150 3.920 2.499 2.131 3.192 0.019 20 0 "[ . 1 . 2]" 1
645 1 21 VAL QG 1 48 LYS H 4.240 2.610 6.680 5.528 5.033 6.284 . 0 0 "[ . 1 . 2]" 1
646 1 21 VAL QG 1 53 ILE QG 3.530 2.380 5.260 3.621 3.472 3.802 . 0 0 "[ . 1 . 2]" 1
647 1 21 VAL QG 1 53 ILE MD 2.870 2.160 3.940 2.036 1.888 2.171 0.272 13 0 "[ . 1 . 2]" 1
648 1 21 VAL QG 1 61 TRP HE1 4.600 2.730 7.400 4.746 3.379 6.189 . 0 0 "[ . 1 . 2]" 1
649 1 21 VAL QG 1 61 TRP HZ3 4.260 2.620 6.720 3.278 2.333 3.949 0.287 3 0 "[ . 1 . 2]" 1
650 1 21 VAL QG 1 61 TRP HZ2 3.500 2.370 5.200 3.373 2.711 4.622 . 0 0 "[ . 1 . 2]" 1
651 1 21 VAL QG 1 61 TRP HH2 3.300 2.300 4.800 2.801 2.246 3.431 0.054 16 0 "[ . 1 . 2]" 1
652 1 22 GLY H 1 25 ILE QG 3.610 2.400 5.430 2.834 2.381 3.586 0.019 6 0 "[ . 1 . 2]" 1
653 1 22 GLY QA 1 23 LEU H 2.720 2.100 3.640 2.134 2.092 2.217 0.008 5 0 "[ . 1 . 2]" 1
654 1 22 GLY QA 1 24 ASN H 3.160 2.250 4.520 3.228 2.940 3.356 . 0 0 "[ . 1 . 2]" 1
655 1 22 GLY QA 1 25 ILE MD 3.210 2.270 4.620 3.622 2.976 4.518 . 0 0 "[ . 1 . 2]" 1
656 1 23 LEU H 1 23 LEU QB 2.870 2.160 3.940 2.207 2.135 2.450 0.025 5 0 "[ . 1 . 2]" 1
657 1 23 LEU H 1 23 LEU QD 3.880 2.490 5.970 3.547 2.286 3.851 0.204 12 0 "[ . 1 . 2]" 1
658 1 23 LEU HA 1 23 LEU QD 2.720 2.100 3.640 2.967 2.124 3.205 . 0 0 "[ . 1 . 2]" 1
659 1 23 LEU HA 1 65 LEU QD 3.340 2.320 4.880 2.902 2.294 3.885 0.026 15 0 "[ . 1 . 2]" 1
660 1 23 LEU QB 1 23 LEU QD 2.590 2.070 3.380 1.975 1.958 2.004 0.112 15 0 "[ . 1 . 2]" 1
661 1 23 LEU QB 1 24 ASN H 3.020 2.200 4.240 2.811 2.718 3.097 . 0 0 "[ . 1 . 2]" 1
662 1 23 LEU QB 1 25 ILE H 4.390 2.660 6.980 4.806 4.718 4.930 . 0 0 "[ . 1 . 2]" 1
663 1 23 LEU QB 1 65 LEU QD 3.410 2.330 5.020 3.168 2.544 4.418 . 0 0 "[ . 1 . 2]" 1
664 1 23 LEU HG 1 65 LEU QD 2.870 2.160 3.940 2.176 2.005 3.115 0.155 20 0 "[ . 1 . 2]" 1
665 1 23 LEU QD 1 26 ILE HB 3.380 2.330 4.960 3.964 2.690 4.979 0.019 3 0 "[ . 1 . 2]" 1
666 1 23 LEU QD 1 26 ILE HG12 3.870 2.490 5.940 4.308 3.268 4.729 . 0 0 "[ . 1 . 2]" 1
667 1 23 LEU QD 1 65 LEU HB2 3.770 2.460 5.740 4.840 2.993 5.510 . 0 0 "[ . 1 . 2]" 1
668 1 23 LEU QD 1 65 LEU QD 2.950 2.180 4.100 2.182 2.018 2.388 0.162 14 0 "[ . 1 . 2]" 1
669 1 24 ASN H 1 25 ILE QG 3.820 2.470 5.840 4.293 4.057 4.477 . 0 0 "[ . 1 . 2]" 1
670 1 24 ASN QB 1 25 ILE MG 3.380 2.320 4.960 2.986 2.700 3.860 . 0 0 "[ . 1 . 2]" 1
671 1 25 ILE H 1 25 ILE QG 3.110 2.230 4.420 2.299 2.238 2.433 . 0 0 "[ . 1 . 2]" 1
672 1 25 ILE QG 1 25 ILE MG 2.590 2.060 3.390 2.374 2.350 2.405 . 0 0 "[ . 1 . 2]" 1
673 1 25 ILE MG 1 49 MET QG 4.810 2.810 7.820 4.458 3.633 5.166 . 0 0 "[ . 1 . 2]" 1
674 1 25 ILE MD 1 48 LYS QB 4.240 2.610 6.690 5.474 4.664 6.458 . 0 0 "[ . 1 . 2]" 1
675 1 25 ILE MD 1 49 MET QG 4.810 2.810 7.820 4.171 3.246 5.144 . 0 0 "[ . 1 . 2]" 1
676 1 26 ILE HA 1 65 LEU QD 4.890 2.830 7.980 5.108 4.674 5.794 . 0 0 "[ . 1 . 2]" 1
677 1 26 ILE MG 1 65 LEU QD 3.430 2.340 5.070 2.617 2.182 3.138 0.158 9 0 "[ . 1 . 2]" 1
678 1 27 ASP HB2 1 48 LYS QB 4.190 2.590 6.580 3.399 2.478 4.152 0.112 7 0 "[ . 1 . 2]" 1
679 1 27 ASP HB2 1 48 LYS QG 4.000 2.530 6.200 3.527 2.505 4.497 0.025 19 0 "[ . 1 . 2]" 1
680 1 28 ARG H 1 46 TRP QB 3.360 2.320 4.920 3.037 2.523 3.429 . 0 0 "[ . 1 . 2]" 1
681 1 28 ARG QB 1 29 ILE H 3.550 2.380 5.310 3.147 2.529 3.792 . 0 0 "[ . 1 . 2]" 1
682 1 28 ARG QB 1 46 TRP H 4.160 2.590 6.520 3.992 3.104 5.088 . 0 0 "[ . 1 . 2]" 1
683 1 28 ARG QB 1 46 TRP QB 3.700 2.430 5.610 2.836 2.498 3.984 . 0 0 "[ . 1 . 2]" 1
684 1 28 ARG QG 1 29 ILE H 3.780 2.460 5.760 3.401 2.463 4.628 . 0 0 "[ . 1 . 2]" 1
685 1 29 ILE QG 1 29 ILE MG 2.980 2.190 4.160 2.398 2.360 2.438 . 0 0 "[ . 1 . 2]" 1
686 1 29 ILE MG 1 45 ILE QG 3.330 2.310 4.860 2.405 2.150 4.074 0.160 19 0 "[ . 1 . 2]" 1
687 1 29 ILE QG 1 30 GLN H 4.190 2.590 6.580 4.307 4.102 4.467 . 0 0 "[ . 1 . 2]" 1
688 1 29 ILE QG 1 65 LEU HG 3.430 2.340 5.070 4.388 3.732 4.919 . 0 0 "[ . 1 . 2]" 1
689 1 29 ILE MD 1 65 LEU QD 3.110 2.240 4.410 2.506 2.260 3.054 . 0 0 "[ . 1 . 2]" 1
690 1 30 GLN H 1 30 GLN QG 3.720 2.440 5.640 3.851 2.422 4.122 0.018 16 0 "[ . 1 . 2]" 1
691 1 30 GLN H 1 44 VAL QG 4.540 2.710 7.280 3.965 3.102 4.345 . 0 0 "[ . 1 . 2]" 1
692 1 30 GLN QB 1 44 VAL H 3.820 2.470 5.840 3.786 3.233 5.071 . 0 0 "[ . 1 . 2]" 1
693 1 30 GLN QG 1 31 VAL H 3.640 2.410 5.490 3.239 2.518 4.395 . 0 0 "[ . 1 . 2]" 1
694 1 30 GLN QG 1 44 VAL H 3.950 2.510 6.100 4.157 3.313 5.254 . 0 0 "[ . 1 . 2]" 1
695 1 31 VAL H 1 31 VAL QG 3.420 2.340 5.040 2.512 2.325 2.677 0.015 15 0 "[ . 1 . 2]" 1
696 1 31 VAL HA 1 31 VAL QG 2.810 2.140 3.820 2.249 2.189 2.373 . 0 0 "[ . 1 . 2]" 1
697 1 31 VAL QG 1 32 THR H 3.420 2.340 5.040 2.856 2.303 3.412 0.037 3 0 "[ . 1 . 2]" 1
698 1 31 VAL QG 1 41 THR MG 2.980 2.190 4.160 2.411 2.050 3.341 0.140 19 0 "[ . 1 . 2]" 1
699 1 31 VAL QG 1 42 GLU H 3.870 2.490 5.940 4.113 3.344 5.131 . 0 0 "[ . 1 . 2]" 1
700 1 31 VAL QG 1 43 VAL MG1 2.650 2.080 3.500 2.788 2.040 3.559 0.059 1 0 "[ . 1 . 2]" 1
701 1 31 VAL QG 1 43 VAL MG2 2.720 2.110 3.630 2.211 1.992 3.060 0.118 18 0 "[ . 1 . 2]" 1
702 1 32 THR H 1 42 GLU QB 4.400 2.670 7.000 3.784 2.627 4.968 0.043 9 0 "[ . 1 . 2]" 1
703 1 33 PRO QB 1 34 PRO QD 3.290 2.290 4.780 2.471 2.259 2.823 0.031 8 0 "[ . 1 . 2]" 1
704 1 38 CYS H 1 38 CYS QB 3.140 2.250 4.480 2.686 2.360 3.098 . 0 0 "[ . 1 . 2]" 1
705 1 40 LYS H 1 40 LYS QB 3.020 2.200 4.240 2.677 2.304 3.228 . 0 0 "[ . 1 . 2]" 1
706 1 40 LYS H 1 40 LYS QG 3.610 2.400 5.420 3.194 2.495 4.225 . 0 0 "[ . 1 . 2]" 1
707 1 40 LYS QB 1 41 THR H 3.290 2.290 4.780 2.704 2.197 3.603 0.093 7 0 "[ . 1 . 2]" 1
708 1 40 LYS QD 1 41 THR H 4.420 2.670 7.040 4.127 2.601 5.124 0.069 9 0 "[ . 1 . 2]" 1
709 1 41 THR MG 1 57 PRO QB 3.180 2.260 4.560 3.169 2.334 3.902 . 0 0 "[ . 1 . 2]" 1
710 1 42 GLU QB 1 43 VAL H 3.480 2.360 5.160 3.536 2.367 3.952 . 0 0 "[ . 1 . 2]" 1
711 1 42 GLU QB 1 44 VAL QG 3.720 2.440 5.640 3.206 2.694 4.162 . 0 0 "[ . 1 . 2]" 1
712 1 42 GLU QG 1 43 VAL H 3.610 2.400 5.420 3.933 2.395 4.916 0.005 1 0 "[ . 1 . 2]" 1
713 1 43 VAL H 1 44 VAL QG 3.590 2.400 5.380 4.167 3.460 4.789 . 0 0 "[ . 1 . 2]" 1
714 1 43 VAL H 1 55 VAL QG 3.750 2.450 5.700 3.995 3.261 4.472 . 0 0 "[ . 1 . 2]" 1
715 1 43 VAL HB 1 55 VAL QG 3.110 2.230 4.420 2.291 2.115 2.761 0.115 6 0 "[ . 1 . 2]" 1
716 1 43 VAL MG1 1 55 VAL QG 2.820 2.140 3.840 2.524 2.119 3.207 0.021 9 0 "[ . 1 . 2]" 1
717 1 44 VAL H 1 44 VAL QG 3.360 2.320 4.920 2.308 2.099 2.539 0.221 18 0 "[ . 1 . 2]" 1
718 1 44 VAL QG 1 45 ILE H 3.290 2.290 4.780 3.188 2.591 3.708 . 0 0 "[ . 1 . 2]" 1
719 1 44 VAL QG 1 46 TRP HD1 3.930 2.510 6.060 3.350 2.738 4.187 . 0 0 "[ . 1 . 2]" 1
720 1 44 VAL QG 1 46 TRP HE1 3.580 2.390 5.360 2.843 2.348 4.114 0.042 3 0 "[ . 1 . 2]" 1
721 1 44 VAL QG 1 52 VAL HA 4.890 2.830 7.980 4.210 3.671 5.166 . 0 0 "[ . 1 . 2]" 1
722 1 44 VAL QG 1 52 VAL HB 4.530 2.710 7.260 4.753 4.525 5.500 . 0 0 "[ . 1 . 2]" 1
723 1 44 VAL QG 1 52 VAL MG1 3.200 2.260 4.600 2.374 2.195 3.132 0.065 11 0 "[ . 1 . 2]" 1
724 1 44 VAL QG 1 53 ILE H 3.830 2.470 5.860 3.991 3.145 5.135 . 0 0 "[ . 1 . 2]" 1
725 1 44 VAL QG 1 54 CYS HA 3.880 2.490 5.970 3.202 2.357 3.938 0.133 9 0 "[ . 1 . 2]" 1
726 1 44 VAL QG 1 54 CYS QB 3.850 2.480 5.900 3.101 2.336 3.765 0.144 3 0 "[ . 1 . 2]" 1
727 1 45 ILE H 1 45 ILE QG 3.570 2.390 5.340 2.607 2.403 2.915 . 0 0 "[ . 1 . 2]" 1
728 1 45 ILE H 1 53 ILE QG 3.860 2.490 5.910 2.796 2.491 3.482 . 0 0 "[ . 1 . 2]" 1
729 1 45 ILE HA 1 53 ILE QG 4.290 2.630 6.780 4.289 4.131 4.445 . 0 0 "[ . 1 . 2]" 1
730 1 46 TRP H 1 46 TRP QB 3.200 2.270 4.590 2.391 2.305 2.507 . 0 0 "[ . 1 . 2]" 1
731 1 46 TRP QB 1 47 THR H 3.620 2.410 5.440 3.374 3.235 3.544 . 0 0 "[ . 1 . 2]" 1
732 1 47 THR MG 1 51 LYS QB 3.190 2.270 4.580 2.963 2.500 3.231 . 0 0 "[ . 1 . 2]" 1
733 1 47 THR MG 1 51 LYS QG 4.090 2.570 6.380 4.351 3.828 4.714 . 0 0 "[ . 1 . 2]" 1
734 1 47 THR MG 1 53 ILE QG 4.300 2.630 6.810 3.088 2.553 3.898 0.077 10 0 "[ . 1 . 2]" 1
735 1 48 LYS H 1 48 LYS QB 2.820 2.140 3.840 2.485 2.276 2.572 . 0 0 "[ . 1 . 2]" 1
736 1 48 LYS H 1 48 LYS QG 3.010 2.200 4.220 2.309 2.180 2.622 0.020 7 0 "[ . 1 . 2]" 1
737 1 48 LYS H 1 48 LYS QD 4.360 2.650 6.920 3.912 3.272 4.386 . 0 0 "[ . 1 . 2]" 1
738 1 48 LYS QB 1 48 LYS QD 2.910 2.170 4.020 2.482 2.165 2.930 0.005 7 0 "[ . 1 . 2]" 1
739 1 49 MET H 1 49 MET QB 2.880 2.160 3.960 2.521 2.340 2.849 . 0 0 "[ . 1 . 2]" 1
740 1 49 MET HA 1 50 LYS QG 4.220 2.610 6.630 4.453 3.576 5.517 . 0 0 "[ . 1 . 2]" 1
741 1 49 MET QB 1 50 LYS H 3.430 2.340 5.060 3.552 3.279 4.038 . 0 0 "[ . 1 . 2]" 1
742 1 49 MET QG 1 50 LYS H 4.120 2.580 6.440 4.256 3.169 4.862 . 0 0 "[ . 1 . 2]" 1
743 1 50 LYS H 1 50 LYS QB 3.030 2.210 4.260 3.358 3.196 3.413 . 0 0 "[ . 1 . 2]" 1
744 1 50 LYS H 1 50 LYS QG 3.590 2.400 5.370 3.294 2.869 3.860 . 0 0 "[ . 1 . 2]" 1
745 1 50 LYS H 1 50 LYS QD 3.430 2.340 5.070 2.778 2.352 3.298 . 0 0 "[ . 1 . 2]" 1
746 1 50 LYS HA 1 50 LYS QG 3.230 2.270 4.660 2.784 2.453 3.128 . 0 0 "[ . 1 . 2]" 1
747 1 50 LYS QB 1 50 LYS QD 2.950 2.180 4.100 2.573 2.376 2.922 . 0 0 "[ . 1 . 2]" 1
748 1 50 LYS QE 1 50 LYS QG 2.950 2.180 4.100 2.423 2.189 2.869 . 0 0 "[ . 1 . 2]" 1
749 1 50 LYS QG 1 51 LYS H 4.530 2.710 7.260 4.851 4.676 5.049 . 0 0 "[ . 1 . 2]" 1
750 1 51 LYS H 1 51 LYS QB 2.940 2.180 4.080 2.284 2.229 2.355 . 0 0 "[ . 1 . 2]" 1
751 1 51 LYS H 1 51 LYS QG 3.760 2.450 5.730 4.058 3.998 4.162 . 0 0 "[ . 1 . 2]" 1
752 1 51 LYS QB 1 52 VAL H 3.600 2.400 5.400 3.763 3.659 3.825 . 0 0 "[ . 1 . 2]" 1
753 1 51 LYS QE 1 51 LYS QG 2.760 2.120 3.720 2.418 2.185 2.877 . 0 0 "[ . 1 . 2]" 1
754 1 51 LYS QG 1 53 ILE MG 3.340 2.320 4.880 3.484 2.211 4.195 0.109 1 0 "[ . 1 . 2]" 1
755 1 51 LYS QE 1 53 ILE MG 3.880 2.500 5.960 2.901 2.357 4.526 0.143 19 0 "[ . 1 . 2]" 1
756 1 51 LYS QE 1 53 ILE MD 4.520 2.710 7.240 5.240 3.899 6.438 . 0 0 "[ . 1 . 2]" 1
757 1 53 ILE H 1 53 ILE QG 3.340 2.310 4.890 2.318 2.264 2.483 0.046 12 0 "[ . 1 . 2]" 1
758 1 53 ILE QG 1 53 ILE MG 2.530 2.040 3.270 2.377 2.348 2.414 . 0 0 "[ . 1 . 2]" 1
759 1 54 CYS H 1 54 CYS QB 3.110 2.240 4.410 2.619 2.361 3.126 . 0 0 "[ . 1 . 2]" 1
760 1 54 CYS H 1 55 VAL QG 3.970 2.530 6.140 3.842 3.352 4.228 . 0 0 "[ . 1 . 2]" 1
761 1 54 CYS QB 1 55 VAL QG 4.690 2.770 7.580 4.241 4.010 4.388 . 0 0 "[ . 1 . 2]" 1
762 1 55 VAL H 1 55 VAL QG 3.200 2.260 4.600 2.254 2.167 2.399 0.093 1 0 "[ . 1 . 2]" 1
763 1 55 VAL QG 1 61 TRP HZ2 3.270 2.290 4.740 2.312 2.191 2.627 0.099 11 0 "[ . 1 . 2]" 1
764 1 55 VAL QG 1 62 LEU MD1 3.480 2.360 5.160 2.638 2.220 3.288 0.140 3 0 "[ . 1 . 2]" 1
765 1 55 VAL QG 1 62 LEU MD2 3.280 2.300 4.760 2.351 2.127 3.029 0.173 18 0 "[ . 1 . 2]" 1
766 1 56 ASN QB 1 59 ALA MB 3.380 2.330 4.960 3.224 2.404 4.377 . 0 0 "[ . 1 . 2]" 1
767 1 57 PRO QB 1 58 ARG H 3.480 2.360 5.160 3.444 2.959 3.726 . 0 0 "[ . 1 . 2]" 1
768 1 57 PRO QD 1 58 ARG H 3.810 2.470 5.820 2.999 2.534 3.263 . 0 0 "[ . 1 . 2]" 1
769 1 58 ARG H 1 58 ARG QB 2.990 2.190 4.180 2.486 2.251 2.668 . 0 0 "[ . 1 . 2]" 1
770 1 58 ARG H 1 58 ARG QG 3.100 2.230 4.400 2.643 2.246 4.096 . 0 0 "[ . 1 . 2]" 1
771 1 58 ARG HA 1 58 ARG QD 3.470 2.350 5.140 3.432 2.119 4.338 0.231 18 0 "[ . 1 . 2]" 1
772 1 58 ARG QB 1 58 ARG QD 2.840 2.150 3.880 2.445 2.178 2.931 . 0 0 "[ . 1 . 2]" 1
773 1 59 ALA MB 1 62 LEU QB 3.410 2.340 5.020 2.269 2.227 2.362 0.113 7 0 "[ . 1 . 2]" 1
774 1 60 LYS HA 1 60 LYS QD 4.090 2.570 6.380 3.969 2.537 4.579 0.033 13 0 "[ . 1 . 2]" 1
775 1 60 LYS HA 1 63 GLN QB 3.700 2.430 5.600 3.450 2.397 4.431 0.033 5 0 "[ . 1 . 2]" 1
776 1 60 LYS QB 1 60 LYS QD 2.930 2.180 4.060 2.349 2.160 2.951 0.020 1 0 "[ . 1 . 2]" 1
777 1 60 LYS QB 1 61 TRP H 3.590 2.400 5.380 2.874 2.448 3.528 . 0 0 "[ . 1 . 2]" 1
778 1 61 TRP HE3 1 65 LEU QD 3.360 2.320 4.920 2.612 2.246 3.486 0.074 7 0 "[ . 1 . 2]" 1
779 1 61 TRP HZ3 1 65 LEU QD 3.050 2.210 4.300 2.843 2.215 3.551 . 0 0 "[ . 1 . 2]" 1
780 1 61 TRP HH2 1 65 LEU QD 4.720 2.780 7.640 4.470 3.016 5.438 . 0 0 "[ . 1 . 2]" 1
781 1 62 LEU H 1 62 LEU QB 3.070 2.220 4.340 2.232 2.201 2.261 0.019 6 0 "[ . 1 . 2]" 1
782 1 62 LEU HA 1 65 LEU QD 3.410 2.330 5.020 2.586 2.225 3.213 0.105 16 0 "[ . 1 . 2]" 1
783 1 62 LEU QB 1 63 GLN H 3.390 2.330 4.980 2.816 2.656 3.008 . 0 0 "[ . 1 . 2]" 1
784 1 62 LEU MD1 1 65 LEU QD 3.270 2.290 4.740 3.072 2.373 3.762 . 0 0 "[ . 1 . 2]" 1
785 1 63 GLN H 1 63 GLN QB 2.990 2.190 4.180 2.426 2.242 2.545 . 0 0 "[ . 1 . 2]" 1
786 1 63 GLN H 1 63 GLN QG 3.150 2.250 4.500 2.668 2.168 4.032 0.082 12 0 "[ . 1 . 2]" 1
787 1 63 GLN QB 1 64 ARG H 3.350 2.310 4.900 2.826 2.558 3.728 . 0 0 "[ . 1 . 2]" 1
788 1 64 ARG H 1 64 ARG QB 2.870 2.160 3.940 2.374 2.209 2.556 . 0 0 "[ . 1 . 2]" 1
789 1 64 ARG H 1 64 ARG QG 3.330 2.310 4.860 3.060 2.300 4.086 0.010 14 0 "[ . 1 . 2]" 1
790 1 64 ARG H 1 65 LEU QD 3.900 2.500 6.000 3.911 3.602 5.520 . 0 0 "[ . 1 . 2]" 1
791 1 64 ARG QB 1 65 LEU H 3.750 2.450 5.700 2.729 2.475 3.625 . 0 0 "[ . 1 . 2]" 1
792 1 65 LEU H 1 65 LEU QD 3.910 2.500 6.020 2.437 2.303 3.794 0.197 16 0 "[ . 1 . 2]" 1
793 1 65 LEU HA 1 65 LEU QD 2.880 2.160 3.960 2.219 2.095 2.722 0.065 5 0 "[ . 1 . 2]" 1
794 1 65 LEU QD 1 66 LEU H 3.550 2.380 5.300 3.988 3.902 4.195 . 0 0 "[ . 1 . 2]" 1
795 1 65 LEU QD 1 68 HIS QB 3.400 2.330 5.000 3.352 2.321 4.253 0.009 14 0 "[ . 1 . 2]" 1
796 1 66 LEU H 1 66 LEU QB 3.070 2.220 4.340 2.487 2.445 2.555 . 0 0 "[ . 1 . 2]" 1
797 1 66 LEU HA 1 69 VAL QG 3.230 2.270 4.660 2.323 2.090 2.741 0.180 7 0 "[ . 1 . 2]" 1
798 1 66 LEU QB 1 66 LEU MD1 2.910 2.170 4.020 2.158 2.147 2.167 0.023 17 0 "[ . 1 . 2]" 1
799 1 66 LEU QB 1 67 ARG H 3.450 2.350 5.100 2.705 2.368 2.977 . 0 0 "[ . 1 . 2]" 1
800 1 66 LEU QB 1 69 VAL QG 3.510 2.370 5.220 3.741 3.394 4.221 . 0 0 "[ . 1 . 2]" 1
801 1 66 LEU MD2 1 69 VAL QG 3.130 2.240 4.470 3.145 2.854 3.690 . 0 0 "[ . 1 . 2]" 1
802 1 67 ARG H 1 67 ARG QB 2.920 2.170 4.040 2.311 2.220 2.545 . 0 0 "[ . 1 . 2]" 1
803 1 67 ARG H 1 67 ARG QG 3.470 2.350 5.140 3.566 2.415 4.101 . 0 0 "[ . 1 . 2]" 1
804 1 67 ARG H 1 67 ARG QD 4.340 2.650 6.880 4.408 3.593 4.809 . 0 0 "[ . 1 . 2]" 1
805 1 67 ARG HA 1 67 ARG QG 3.140 2.250 4.480 2.677 2.394 3.172 . 0 0 "[ . 1 . 2]" 1
806 1 67 ARG HA 1 69 VAL QG 3.700 2.430 5.610 4.479 4.095 5.311 . 0 0 "[ . 1 . 2]" 1
807 1 67 ARG HA 1 70 GLN QB 3.250 2.290 4.700 2.811 2.330 4.283 . 0 0 "[ . 1 . 2]" 1
808 1 67 ARG QB 1 67 ARG QD 2.950 2.180 4.100 2.453 2.165 2.920 0.015 20 0 "[ . 1 . 2]" 1
809 1 67 ARG QB 1 69 VAL H 4.810 2.810 7.820 4.894 4.742 5.115 . 0 0 "[ . 1 . 2]" 1
810 1 69 VAL H 1 69 VAL QG 3.130 2.250 4.460 2.136 2.036 2.340 0.214 1 0 "[ . 1 . 2]" 1
811 1 69 VAL QG 1 70 GLN H 3.620 2.410 5.440 2.779 2.332 3.507 0.078 3 0 "[ . 1 . 2]" 1
812 1 70 GLN H 1 70 GLN QB 3.090 2.230 4.380 2.351 2.186 2.824 0.044 11 0 "[ . 1 . 2]" 1
813 1 70 GLN QB 1 71 SER H 3.750 2.450 5.700 3.592 2.596 4.045 . 0 0 "[ . 1 . 2]" 1
814 1 71 SER H 1 71 SER QB 3.220 2.270 4.650 2.600 2.268 3.467 0.002 4 0 "[ . 1 . 2]" 1
815 1 73 SER QB 1 74 LEU H 3.550 2.380 5.310 3.380 2.306 4.081 0.074 10 0 "[ . 1 . 2]" 1
816 1 74 LEU H 1 74 LEU QB 2.840 2.150 3.880 2.472 2.198 2.974 . 0 0 "[ . 1 . 2]" 1
817 1 74 LEU HA 1 74 LEU QD 2.730 2.110 3.660 2.455 2.094 3.465 0.016 4 0 "[ . 1 . 2]" 1
818 1 74 LEU QB 1 74 LEU QD 2.380 . 2.960 2.016 1.972 2.117 0.028 8 0 "[ . 1 . 2]" 1
819 1 74 LEU QD 1 75 SER H 3.900 2.500 6.000 3.399 2.456 4.446 0.044 18 0 "[ . 1 . 2]" 1
820 1 75 SER H 1 75 SER QB 3.170 2.250 4.540 2.614 2.282 2.945 . 0 0 "[ . 1 . 2]" 1
821 1 76 SER QB 1 77 THR H 3.670 2.420 5.540 3.452 2.548 4.059 . 0 0 "[ . 1 . 2]" 1
822 1 77 THR H 1 78 PRO QD 4.300 2.630 6.800 4.201 2.899 4.548 . 0 0 "[ . 1 . 2]" 1
823 1 77 THR HA 1 78 PRO QD 2.810 2.140 3.820 2.124 2.047 2.463 0.093 19 0 "[ . 1 . 2]" 1
824 1 77 THR MG 1 78 PRO QD 3.290 2.290 4.780 3.485 2.596 4.316 . 0 0 "[ . 1 . 2]" 1
825 1 78 PRO QB 1 79 GLN H 3.440 2.340 5.080 3.313 2.207 3.907 0.133 8 0 "[ . 1 . 2]" 1
826 1 79 GLN H 1 79 GLN QG 3.950 2.510 6.100 3.215 2.366 4.181 0.144 3 0 "[ . 1 . 2]" 1
827 1 79 GLN QB 1 80 ALA H 3.480 2.360 5.160 3.479 2.850 4.064 . 0 0 "[ . 1 . 2]" 1
828 1 80 ALA HA 1 81 PRO QD 2.830 2.140 3.860 2.121 2.080 2.186 0.060 17 0 "[ . 1 . 2]" 1
829 1 80 ALA MB 1 81 PRO QD 3.080 2.220 4.360 2.984 2.334 3.569 . 0 0 "[ . 1 . 2]" 1
830 1 81 PRO HA 1 82 VAL QG 4.890 2.830 7.980 3.852 3.480 4.401 . 0 0 "[ . 1 . 2]" 1
831 1 82 VAL H 1 82 VAL QG 3.440 2.340 5.080 2.372 2.126 3.082 0.214 19 0 "[ . 1 . 2]" 1
832 1 84 LYS H 1 84 LYS QB 3.220 2.270 4.650 2.577 2.258 3.254 0.012 15 0 "[ . 1 . 2]" 1
833 1 84 LYS QB 1 85 ARG H 3.660 2.420 5.520 3.401 2.444 4.066 . 0 0 "[ . 1 . 2]" 1
834 1 85 ARG H 1 85 ARG QB 3.110 2.230 4.420 2.515 2.187 3.380 0.043 8 0 "[ . 1 . 2]" 1
835 1 85 ARG H 1 85 ARG QG 3.810 2.470 5.820 3.380 2.411 4.191 0.059 7 0 "[ . 1 . 2]" 1
836 1 85 ARG QB 1 86 ARG H 3.780 2.460 5.760 3.387 2.432 4.036 0.028 3 0 "[ . 1 . 2]" 1
837 1 86 ARG H 1 86 ARG QB 3.210 2.270 4.620 2.469 2.233 3.346 0.037 4 0 "[ . 1 . 2]" 1
838 1 11 CYS SG 1 38 CYS SG 2.100 . 2.400 2.031 2.020 2.043 . 0 0 "[ . 1 . 2]" 1
839 1 11 CYS SG 1 38 CYS CB 2.850 2.150 3.900 3.049 3.015 3.088 . 0 0 "[ . 1 . 2]" 1
840 1 11 CYS CB 1 38 CYS SG 2.850 2.150 3.900 3.046 3.007 3.111 . 0 0 "[ . 1 . 2]" 1
841 1 13 CYS SG 1 54 CYS SG 2.100 . 2.400 2.028 2.020 2.037 . 0 0 "[ . 1 . 2]" 1
842 1 13 CYS SG 1 54 CYS CB 2.850 2.150 3.900 3.018 2.958 3.062 . 0 0 "[ . 1 . 2]" 1
843 1 13 CYS CB 1 54 CYS SG 2.850 2.150 3.900 3.038 2.981 3.075 . 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 28
_Distance_constraint_stats_list.Viol_count 156
_Distance_constraint_stats_list.Viol_total 134.781
_Distance_constraint_stats_list.Viol_max 0.163
_Distance_constraint_stats_list.Viol_rms 0.0256
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0120
_Distance_constraint_stats_list.Viol_average_violations_only 0.0432
_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 22 GLY 1.395 0.113 18 0 "[ . 1 . 2]"
1 25 ILE 1.395 0.113 18 0 "[ . 1 . 2]"
1 28 ARG 1.016 0.125 16 0 "[ . 1 . 2]"
1 30 GLN 0.410 0.059 12 0 "[ . 1 . 2]"
1 32 THR 0.971 0.163 19 0 "[ . 1 . 2]"
1 42 GLU 0.971 0.163 19 0 "[ . 1 . 2]"
1 43 VAL 0.245 0.075 9 0 "[ . 1 . 2]"
1 44 VAL 0.410 0.059 12 0 "[ . 1 . 2]"
1 45 ILE 0.226 0.038 1 0 "[ . 1 . 2]"
1 46 TRP 1.016 0.125 16 0 "[ . 1 . 2]"
1 47 THR 1.344 0.118 3 0 "[ . 1 . 2]"
1 51 LYS 1.344 0.118 3 0 "[ . 1 . 2]"
1 53 ILE 0.226 0.038 1 0 "[ . 1 . 2]"
1 55 VAL 0.245 0.075 9 0 "[ . 1 . 2]"
1 62 LEU 0.130 0.049 6 0 "[ . 1 . 2]"
1 63 GLN 0.448 0.088 13 0 "[ . 1 . 2]"
1 64 ARG 0.553 0.085 17 0 "[ . 1 . 2]"
1 66 LEU 0.130 0.049 6 0 "[ . 1 . 2]"
1 67 ARG 0.448 0.088 13 0 "[ . 1 . 2]"
1 68 HIS 0.553 0.085 17 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 22 GLY O 1 25 ILE H 1.950 . 2.100 2.170 2.112 2.213 0.113 18 0 "[ . 1 . 2]" 2
2 1 22 GLY O 1 25 ILE N 2.700 2.100 3.600 3.041 2.940 3.133 . 0 0 "[ . 1 . 2]" 2
3 1 28 ARG H 1 46 TRP O 1.950 . 2.100 2.137 2.022 2.225 0.125 16 0 "[ . 1 . 2]" 2
4 1 28 ARG N 1 46 TRP O 2.700 2.100 3.600 3.112 2.995 3.202 . 0 0 "[ . 1 . 2]" 2
5 1 30 GLN H 1 44 VAL O 1.950 . 2.100 2.047 1.962 2.157 0.057 18 0 "[ . 1 . 2]" 2
6 1 30 GLN N 1 44 VAL O 2.700 2.100 3.600 2.928 2.865 3.026 . 0 0 "[ . 1 . 2]" 2
7 1 32 THR H 1 42 GLU O 1.950 . 2.100 2.043 1.940 2.156 0.056 18 0 "[ . 1 . 2]" 2
8 1 32 THR N 1 42 GLU O 2.700 2.100 3.600 2.941 2.784 3.050 . 0 0 "[ . 1 . 2]" 2
9 1 32 THR O 1 42 GLU H 1.950 . 2.100 2.125 1.961 2.263 0.163 19 0 "[ . 1 . 2]" 2
10 1 32 THR O 1 42 GLU N 2.700 2.100 3.600 3.022 2.853 3.191 . 0 0 "[ . 1 . 2]" 2
11 1 30 GLN O 1 44 VAL H 1.950 . 2.100 2.089 1.989 2.159 0.059 12 0 "[ . 1 . 2]" 2
12 1 30 GLN O 1 44 VAL N 2.700 2.100 3.600 2.886 2.747 3.108 . 0 0 "[ . 1 . 2]" 2
13 1 45 ILE H 1 53 ILE O 1.950 . 2.100 2.052 1.955 2.134 0.034 11 0 "[ . 1 . 2]" 2
14 1 45 ILE N 1 53 ILE O 2.700 2.100 3.600 2.928 2.769 3.001 . 0 0 "[ . 1 . 2]" 2
15 1 28 ARG O 1 46 TRP H 1.950 . 2.100 2.070 1.976 2.176 0.076 1 0 "[ . 1 . 2]" 2
16 1 28 ARG O 1 46 TRP N 2.700 2.100 3.600 2.960 2.859 3.142 . 0 0 "[ . 1 . 2]" 2
17 1 47 THR H 1 51 LYS O 1.950 . 2.100 2.167 2.121 2.218 0.118 3 0 "[ . 1 . 2]" 2
18 1 47 THR N 1 51 LYS O 2.700 2.100 3.600 3.126 3.043 3.184 . 0 0 "[ . 1 . 2]" 2
19 1 45 ILE O 1 53 ILE H 1.950 . 2.100 2.080 1.988 2.138 0.038 1 0 "[ . 1 . 2]" 2
20 1 45 ILE O 1 53 ILE N 2.700 2.100 3.600 3.045 2.942 3.113 . 0 0 "[ . 1 . 2]" 2
21 1 43 VAL O 1 55 VAL H 1.950 . 2.100 2.086 1.965 2.175 0.075 9 0 "[ . 1 . 2]" 2
22 1 43 VAL O 1 55 VAL N 2.700 2.100 3.600 3.043 2.917 3.129 . 0 0 "[ . 1 . 2]" 2
23 1 62 LEU O 1 66 LEU H 1.950 . 2.100 2.059 1.968 2.149 0.049 6 0 "[ . 1 . 2]" 2
24 1 62 LEU O 1 66 LEU N 2.700 2.100 3.600 2.968 2.836 3.100 . 0 0 "[ . 1 . 2]" 2
25 1 63 GLN O 1 67 ARG H 1.950 . 2.100 2.106 2.004 2.188 0.088 13 0 "[ . 1 . 2]" 2
26 1 63 GLN O 1 67 ARG N 2.700 2.100 3.600 2.956 2.813 3.150 . 0 0 "[ . 1 . 2]" 2
27 1 64 ARG O 1 68 HIS H 1.950 . 2.100 2.122 2.059 2.185 0.085 17 0 "[ . 1 . 2]" 2
28 1 64 ARG O 1 68 HIS N 2.700 2.100 3.600 2.905 2.783 3.001 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 29.578
_Distance_constraint_stats_list.Viol_max 0.120
_Distance_constraint_stats_list.Viol_rms 0.0423
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0370
_Distance_constraint_stats_list.Viol_average_violations_only 0.0778
_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 47 THR 1.479 0.120 20 0 "[ . 1 . 2]"
1 51 LYS 1.479 0.120 20 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 47 THR OG1 1 51 LYS H 1.950 . 2.100 2.173 2.072 2.220 0.120 20 0 "[ . 1 . 2]" 3
2 1 47 THR OG1 1 51 LYS N 2.700 2.100 3.600 2.947 2.866 3.027 . 0 0 "[ . 1 . 2]" 3
stop_
save_
Contact the webmaster for help, if required. Tuesday, July 2, 2024 6:02:10 PM GMT (wattos1)