NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437394 |
2k2x   |
15729 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k2x
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 925
_Distance_constraint_stats_list.Viol_count 1851
_Distance_constraint_stats_list.Viol_total 2514.138
_Distance_constraint_stats_list.Viol_max 1.120
_Distance_constraint_stats_list.Viol_rms 0.0398
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.0679
_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 ASN 3.497 0.655 8 1 "[ . + 1 . 2]"
1 2 GLU 3.935 0.112 11 0 "[ . 1 . 2]"
1 3 CYS 1.389 0.133 9 0 "[ . 1 . 2]"
1 4 VAL 4.379 0.655 8 1 "[ . + 1 . 2]"
1 5 SER 0.320 0.067 20 0 "[ . 1 . 2]"
1 6 LYS 1.043 0.084 1 0 "[ . 1 . 2]"
1 7 GLY 0.294 0.042 18 0 "[ . 1 . 2]"
1 8 PHE 1.941 0.091 9 0 "[ . 1 . 2]"
1 9 GLY 1.494 0.179 7 0 "[ . 1 . 2]"
1 10 CYS 3.454 0.190 16 0 "[ . 1 . 2]"
1 11 LEU 5.301 0.810 19 3 "[ . * 1 - . +2]"
1 12 PRO 3.156 0.810 19 3 "[ . * 1 - . +2]"
1 13 GLN 2.906 0.151 7 0 "[ . 1 . 2]"
1 14 SER 0.753 0.070 2 0 "[ . 1 . 2]"
1 15 ASP 0.259 0.085 2 0 "[ . 1 . 2]"
1 16 CYS 3.618 0.320 10 0 "[ . 1 . 2]"
1 17 PRO 0.798 0.050 13 0 "[ . 1 . 2]"
1 18 GLN 2.330 0.137 17 0 "[ . 1 . 2]"
1 19 GLU 6.122 0.368 7 0 "[ . 1 . 2]"
1 20 ALA 2.129 0.113 10 0 "[ . 1 . 2]"
1 21 ARG 2.039 0.150 10 0 "[ . 1 . 2]"
1 22 LEU 3.113 0.123 20 0 "[ . 1 . 2]"
1 23 SER 1.200 0.083 15 0 "[ . 1 . 2]"
1 24 TYR 3.373 0.344 10 0 "[ . 1 . 2]"
1 25 GLY 0.720 0.344 10 0 "[ . 1 . 2]"
1 26 GLY 0.161 0.049 7 0 "[ . 1 . 2]"
1 27 CYS 0.955 0.214 8 0 "[ . 1 . 2]"
1 28 SER 5.400 0.175 6 0 "[ . 1 . 2]"
1 29 THR 1.731 0.175 6 0 "[ . 1 . 2]"
1 30 VAL 3.792 0.320 10 0 "[ . 1 . 2]"
1 31 CYS 0.487 0.123 20 0 "[ . 1 . 2]"
1 32 CYS 0.734 0.049 10 0 "[ . 1 . 2]"
1 33 ASP 0.787 0.099 4 0 "[ . 1 . 2]"
1 34 LEU 0.891 0.072 8 0 "[ . 1 . 2]"
1 35 SER 0.575 0.060 10 0 "[ . 1 . 2]"
1 36 LYS 3.129 0.168 10 0 "[ . 1 . 2]"
1 37 LEU 4.451 0.368 7 0 "[ . 1 . 2]"
1 38 THR 2.056 0.181 17 0 "[ . 1 . 2]"
1 39 GLY 0.460 0.123 5 0 "[ . 1 . 2]"
1 40 CYS 0.945 0.323 13 0 "[ . 1 . 2]"
1 41 LYS 1.003 0.091 7 0 "[ . 1 . 2]"
1 42 GLY 1.379 0.360 9 0 "[ . 1 . 2]"
1 43 LYS 6.277 0.583 2 2 "[ + . 1 .- 2]"
1 44 GLY 1.851 0.191 19 0 "[ . 1 . 2]"
1 45 GLY 1.372 0.259 13 0 "[ . 1 . 2]"
1 46 GLU 3.061 0.259 13 0 "[ . 1 . 2]"
1 47 CYS 1.084 0.182 4 0 "[ . 1 . 2]"
1 48 ASN 4.230 0.182 4 0 "[ . 1 . 2]"
1 49 PRO 2.194 0.133 12 0 "[ . 1 . 2]"
1 50 LEU 14.790 0.939 1 5 "[+ *. - 1 * . * 2]"
1 51 ASP 0.995 0.088 9 0 "[ . 1 . 2]"
1 52 ARG 1.659 0.179 20 0 "[ . 1 . 2]"
1 53 GLN 1.899 0.180 9 0 "[ . 1 . 2]"
1 54 CYS 3.439 0.561 19 2 "[ . 1 .- +2]"
1 55 LYS 1.850 0.172 18 0 "[ . 1 . 2]"
1 56 GLU 1.469 0.128 5 0 "[ . 1 . 2]"
1 57 LEU 14.112 1.120 13 4 "[* . 1* + .- 2]"
1 58 GLN 2.551 0.225 16 0 "[ . 1 . 2]"
1 59 ALA 2.001 0.238 12 0 "[ . 1 . 2]"
1 60 GLU 3.396 0.690 1 1 "[+ . 1 . 2]"
1 61 SER 3.074 0.245 1 0 "[ . 1 . 2]"
1 62 ALA 4.852 1.120 13 3 "[ . 1* + .- 2]"
1 63 SER 0.707 0.091 12 0 "[ . 1 . 2]"
1 64 CYS 3.397 0.226 1 0 "[ . 1 . 2]"
1 65 GLY 0.323 0.096 2 0 "[ . 1 . 2]"
1 66 LYS 1.646 0.175 10 0 "[ . 1 . 2]"
1 67 GLY 2.019 0.461 1 0 "[ . 1 . 2]"
1 68 GLN 10.522 0.700 12 4 "[* . - 1 + . * 2]"
1 69 LYS 11.124 0.939 1 4 "[+ *. - 1 . * 2]"
1 70 CYS 4.054 0.323 13 0 "[ . 1 . 2]"
1 71 CYS 2.383 0.561 19 2 "[ . 1 .- +2]"
1 72 VAL 5.632 0.583 2 2 "[ + . 1 .- 2]"
1 73 TRP 8.156 0.782 9 7 "[ ** -***+1 . 2]"
1 74 LEU 6.125 0.888 13 4 "[ . *1 + .-* 2]"
1 75 HIS 4.612 0.888 13 4 "[ . *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 ASN HA 1 1 ASN HD22 . . 4.680 4.427 3.983 4.640 . 0 0 "[ . 1 . 2]" 1
2 1 1 ASN HA 1 2 GLU H . . 2.620 2.198 2.052 2.437 . 0 0 "[ . 1 . 2]" 1
3 1 1 ASN HA 1 26 GLY QA . . 3.710 2.585 1.940 3.759 0.049 7 0 "[ . 1 . 2]" 1
4 1 1 ASN QB 1 4 VAL H . . 3.240 2.972 2.493 3.334 0.094 19 0 "[ . 1 . 2]" 1
5 1 1 ASN QB 1 4 VAL HB . . 2.740 2.430 2.085 2.770 0.030 20 0 "[ . 1 . 2]" 1
6 1 1 ASN QB 1 4 VAL QG . . 2.870 2.504 2.176 3.178 0.308 20 0 "[ . 1 . 2]" 1
7 1 1 ASN HB2 1 2 GLU H . . 4.900 4.081 2.663 4.594 . 0 0 "[ . 1 . 2]" 1
8 1 1 ASN HB3 1 2 GLU H . . 4.900 3.846 2.810 4.637 . 0 0 "[ . 1 . 2]" 1
9 1 1 ASN HD21 1 4 VAL QG . . 3.700 3.428 2.560 4.355 0.655 8 1 "[ . + 1 . 2]" 1
10 1 1 ASN HD22 1 4 VAL HB . . 4.140 3.645 2.144 4.162 0.022 2 0 "[ . 1 . 2]" 1
11 1 1 ASN HD22 1 4 VAL QG . . 3.250 2.713 2.018 3.500 0.250 8 0 "[ . 1 . 2]" 1
12 1 2 GLU H 1 2 GLU HB2 . . 2.880 2.527 2.208 2.905 0.025 16 0 "[ . 1 . 2]" 1
13 1 2 GLU H 1 2 GLU HB3 . . 3.140 2.659 2.517 2.793 . 0 0 "[ . 1 . 2]" 1
14 1 2 GLU H 1 2 GLU QG . . 4.490 4.065 3.921 4.196 . 0 0 "[ . 1 . 2]" 1
15 1 2 GLU H 1 3 CYS H . . 3.270 2.478 1.930 2.940 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLU H 1 3 CYS QB . . 5.300 4.299 3.702 5.028 . 0 0 "[ . 1 . 2]" 1
17 1 2 GLU H 1 4 VAL H . . 5.110 4.011 3.342 4.595 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLU H 1 24 TYR HB3 . . 5.020 4.388 4.148 4.604 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLU H 1 26 GLY QA . . 4.200 3.454 2.182 4.246 0.046 8 0 "[ . 1 . 2]" 1
20 1 2 GLU HA 1 2 GLU QG . . 2.720 2.700 2.233 2.827 0.107 9 0 "[ . 1 . 2]" 1
21 1 2 GLU HA 1 6 LYS HG3 . . 5.500 5.217 4.782 5.567 0.067 8 0 "[ . 1 . 2]" 1
22 1 2 GLU HB2 1 3 CYS H . . 3.770 3.781 3.631 3.865 0.095 2 0 "[ . 1 . 2]" 1
23 1 2 GLU HB2 1 24 TYR HB3 . . 3.780 3.805 3.714 3.879 0.099 17 0 "[ . 1 . 2]" 1
24 1 2 GLU HB2 1 25 GLY H . . 4.340 3.696 3.079 4.372 0.032 10 0 "[ . 1 . 2]" 1
25 1 2 GLU HB3 1 2 GLU QG . . 2.510 2.204 2.171 2.350 . 0 0 "[ . 1 . 2]" 1
26 1 2 GLU HB3 1 3 CYS H . . 3.470 2.597 2.123 2.761 . 0 0 "[ . 1 . 2]" 1
27 1 2 GLU HB3 1 24 TYR H . . 5.500 5.543 5.393 5.612 0.112 11 0 "[ . 1 . 2]" 1
28 1 2 GLU HB3 1 24 TYR HB3 . . 2.790 2.158 2.118 2.207 . 0 0 "[ . 1 . 2]" 1
29 1 2 GLU HB3 1 24 TYR QD . . 3.870 3.594 2.908 3.876 0.006 16 0 "[ . 1 . 2]" 1
30 1 2 GLU HB3 1 24 TYR QE . . 5.500 5.253 4.617 5.583 0.083 10 0 "[ . 1 . 2]" 1
31 1 2 GLU HB3 1 25 GLY H . . 3.340 2.651 2.187 3.326 . 0 0 "[ . 1 . 2]" 1
32 1 2 GLU QG 1 3 CYS H . . 5.340 3.842 3.092 4.091 . 0 0 "[ . 1 . 2]" 1
33 1 2 GLU QG 1 6 LYS HG2 . . 3.970 3.125 2.714 3.646 . 0 0 "[ . 1 . 2]" 1
34 1 2 GLU QG 1 6 LYS HG3 . . 4.880 3.248 2.543 3.856 . 0 0 "[ . 1 . 2]" 1
35 1 2 GLU QG 1 24 TYR HB3 . . 5.170 2.911 2.525 3.346 . 0 0 "[ . 1 . 2]" 1
36 1 2 GLU QG 1 24 TYR QD . . 4.330 2.506 2.234 3.350 . 0 0 "[ . 1 . 2]" 1
37 1 3 CYS H 1 3 CYS QB . . 2.730 2.293 2.023 2.553 . 0 0 "[ . 1 . 2]" 1
38 1 3 CYS H 1 4 VAL H . . 3.360 2.767 2.638 2.958 . 0 0 "[ . 1 . 2]" 1
39 1 3 CYS H 1 4 VAL HB . . 5.140 4.910 4.737 5.083 . 0 0 "[ . 1 . 2]" 1
40 1 3 CYS H 1 24 TYR HB3 . . 3.880 3.149 2.649 3.547 . 0 0 "[ . 1 . 2]" 1
41 1 3 CYS H 1 26 GLY QA . . 4.770 3.904 2.470 4.762 . 0 0 "[ . 1 . 2]" 1
42 1 3 CYS HA 1 24 TYR HB3 . . 3.900 3.664 2.906 3.987 0.087 10 0 "[ . 1 . 2]" 1
43 1 3 CYS HA 1 24 TYR QD . . 3.600 3.253 2.499 3.642 0.042 1 0 "[ . 1 . 2]" 1
44 1 3 CYS QB 1 4 VAL QG . . 4.530 3.124 2.633 4.278 . 0 0 "[ . 1 . 2]" 1
45 1 3 CYS HB2 1 4 VAL H . . 3.840 3.175 2.252 3.894 0.054 9 0 "[ . 1 . 2]" 1
46 1 3 CYS HB3 1 4 VAL H . . 3.840 3.280 2.219 3.973 0.133 9 0 "[ . 1 . 2]" 1
47 1 4 VAL H 1 4 VAL HB . . 2.730 2.445 2.344 2.622 . 0 0 "[ . 1 . 2]" 1
48 1 4 VAL H 1 4 VAL MG1 . . 3.890 3.771 3.738 3.829 . 0 0 "[ . 1 . 2]" 1
49 1 4 VAL H 1 4 VAL QG . . 2.940 2.172 2.020 2.350 . 0 0 "[ . 1 . 2]" 1
50 1 4 VAL H 1 4 VAL MG2 . . 3.890 2.186 2.029 2.374 . 0 0 "[ . 1 . 2]" 1
51 1 4 VAL H 1 5 SER H . . 2.800 2.622 2.470 2.807 0.007 9 0 "[ . 1 . 2]" 1
52 1 4 VAL H 1 6 LYS H . . 4.240 4.184 3.979 4.292 0.052 18 0 "[ . 1 . 2]" 1
53 1 4 VAL HA 1 4 VAL MG1 . . 3.090 2.451 2.393 2.512 . 0 0 "[ . 1 . 2]" 1
54 1 4 VAL HA 1 4 VAL QG . . 2.590 2.162 2.148 2.176 . 0 0 "[ . 1 . 2]" 1
55 1 4 VAL HA 1 4 VAL MG2 . . 3.090 2.406 2.337 2.482 . 0 0 "[ . 1 . 2]" 1
56 1 4 VAL HA 1 7 GLY H . . 4.220 3.467 3.123 3.881 . 0 0 "[ . 1 . 2]" 1
57 1 4 VAL HA 1 8 PHE H . . 4.870 3.854 3.202 4.876 0.006 8 0 "[ . 1 . 2]" 1
58 1 4 VAL HB 1 5 SER H . . 3.040 2.688 2.447 2.971 . 0 0 "[ . 1 . 2]" 1
59 1 4 VAL QG 1 5 SER H . . 3.400 3.279 3.077 3.467 0.067 20 0 "[ . 1 . 2]" 1
60 1 4 VAL QG 1 5 SER HA . . 4.660 3.561 3.241 3.869 . 0 0 "[ . 1 . 2]" 1
61 1 4 VAL QG 1 6 LYS H . . 5.440 4.699 4.487 4.821 . 0 0 "[ . 1 . 2]" 1
62 1 4 VAL MG1 1 5 SER H . . 3.940 3.518 3.222 3.827 . 0 0 "[ . 1 . 2]" 1
63 1 4 VAL MG2 1 5 SER H . . 3.940 3.931 3.820 4.004 0.064 11 0 "[ . 1 . 2]" 1
64 1 5 SER H 1 5 SER QB . . 3.260 2.255 2.180 2.461 . 0 0 "[ . 1 . 2]" 1
65 1 5 SER H 1 6 LYS H . . 3.070 2.743 2.632 2.834 . 0 0 "[ . 1 . 2]" 1
66 1 5 SER H 1 7 GLY H . . 4.610 4.049 3.734 4.488 . 0 0 "[ . 1 . 2]" 1
67 1 5 SER QB 1 6 LYS H . . 3.100 2.703 2.498 3.091 . 0 0 "[ . 1 . 2]" 1
68 1 5 SER QB 1 6 LYS HG3 . . 5.500 4.863 4.647 5.259 . 0 0 "[ . 1 . 2]" 1
69 1 6 LYS H 1 6 LYS HB2 . . 3.080 2.361 2.254 2.523 . 0 0 "[ . 1 . 2]" 1
70 1 6 LYS H 1 6 LYS HG2 . . 3.210 2.503 2.235 2.986 . 0 0 "[ . 1 . 2]" 1
71 1 6 LYS H 1 6 LYS HG3 . . 3.910 3.627 3.469 3.871 . 0 0 "[ . 1 . 2]" 1
72 1 6 LYS H 1 7 GLY H . . 3.290 2.582 2.189 2.720 . 0 0 "[ . 1 . 2]" 1
73 1 6 LYS H 1 8 PHE QE . . 5.380 5.263 4.769 5.376 . 0 0 "[ . 1 . 2]" 1
74 1 6 LYS HA 1 6 LYS HB3 . . 2.610 2.522 2.415 2.571 . 0 0 "[ . 1 . 2]" 1
75 1 6 LYS HA 1 6 LYS HD2 . . 3.620 3.103 2.185 3.562 . 0 0 "[ . 1 . 2]" 1
76 1 6 LYS HA 1 6 LYS HD3 . . 3.620 2.575 2.195 3.701 0.081 14 0 "[ . 1 . 2]" 1
77 1 6 LYS HA 1 6 LYS HG2 . . 3.100 2.927 2.783 3.115 0.015 10 0 "[ . 1 . 2]" 1
78 1 6 LYS HA 1 6 LYS HG3 . . 4.010 3.793 3.751 3.842 . 0 0 "[ . 1 . 2]" 1
79 1 6 LYS HA 1 8 PHE QE . . 5.320 4.871 4.611 5.187 . 0 0 "[ . 1 . 2]" 1
80 1 6 LYS HB2 1 8 PHE HB2 . . 4.300 4.082 3.710 4.370 0.070 8 0 "[ . 1 . 2]" 1
81 1 6 LYS HB2 1 8 PHE QD . . 3.260 2.472 2.345 2.807 . 0 0 "[ . 1 . 2]" 1
82 1 6 LYS HB2 1 8 PHE QE . . 3.070 3.032 2.738 3.108 0.038 3 0 "[ . 1 . 2]" 1
83 1 6 LYS HB2 1 24 TYR QE . . 5.140 4.316 3.231 4.821 . 0 0 "[ . 1 . 2]" 1
84 1 6 LYS HB3 1 6 LYS HG3 . . 2.970 2.548 2.489 2.611 . 0 0 "[ . 1 . 2]" 1
85 1 6 LYS HB3 1 8 PHE HB2 . . 5.500 5.098 4.857 5.397 . 0 0 "[ . 1 . 2]" 1
86 1 6 LYS HB3 1 8 PHE QD . . 4.040 3.250 3.025 3.749 . 0 0 "[ . 1 . 2]" 1
87 1 6 LYS HB3 1 8 PHE QE . . 3.130 2.481 2.225 2.823 . 0 0 "[ . 1 . 2]" 1
88 1 6 LYS HB3 1 24 TYR QE . . 5.160 4.212 3.574 4.706 . 0 0 "[ . 1 . 2]" 1
89 1 6 LYS QD 1 8 PHE QE . . 5.340 3.522 2.807 4.421 . 0 0 "[ . 1 . 2]" 1
90 1 6 LYS QD 1 24 TYR QE . . 4.630 4.004 3.282 4.637 0.007 9 0 "[ . 1 . 2]" 1
91 1 6 LYS QE 1 6 LYS HG3 . . 3.690 2.406 2.280 2.984 . 0 0 "[ . 1 . 2]" 1
92 1 6 LYS QE 1 24 TYR QD . . 5.340 4.479 3.762 5.090 . 0 0 "[ . 1 . 2]" 1
93 1 6 LYS QE 1 24 TYR QE . . 4.160 3.205 2.377 4.244 0.084 1 0 "[ . 1 . 2]" 1
94 1 6 LYS HE2 1 6 LYS HG2 . . 4.120 2.958 2.361 4.166 0.046 9 0 "[ . 1 . 2]" 1
95 1 6 LYS HE3 1 6 LYS HG2 . . 4.120 3.386 2.439 3.842 . 0 0 "[ . 1 . 2]" 1
96 1 6 LYS HG2 1 8 PHE QD . . 4.920 4.669 4.222 4.933 0.013 19 0 "[ . 1 . 2]" 1
97 1 6 LYS HG2 1 8 PHE QE . . 5.000 4.442 3.990 4.724 . 0 0 "[ . 1 . 2]" 1
98 1 6 LYS HG3 1 8 PHE QD . . 4.770 3.692 3.216 4.038 . 0 0 "[ . 1 . 2]" 1
99 1 6 LYS HG3 1 8 PHE QE . . 4.570 2.997 2.397 3.400 . 0 0 "[ . 1 . 2]" 1
100 1 6 LYS HG3 1 24 TYR QD . . 4.880 3.790 3.233 4.118 . 0 0 "[ . 1 . 2]" 1
101 1 6 LYS HG3 1 24 TYR QE . . 3.960 3.142 2.656 3.713 . 0 0 "[ . 1 . 2]" 1
102 1 7 GLY H 1 8 PHE H . . 2.790 2.426 2.204 2.792 0.002 8 0 "[ . 1 . 2]" 1
103 1 7 GLY H 1 8 PHE QD . . 4.550 4.434 3.814 4.592 0.042 18 0 "[ . 1 . 2]" 1
104 1 7 GLY QA 1 8 PHE H . . 3.000 2.898 2.496 2.996 . 0 0 "[ . 1 . 2]" 1
105 1 8 PHE H 1 8 PHE HB2 . . 3.000 2.527 2.375 2.692 . 0 0 "[ . 1 . 2]" 1
106 1 8 PHE H 1 8 PHE QD . . 3.320 3.100 2.887 3.363 0.043 14 0 "[ . 1 . 2]" 1
107 1 8 PHE H 1 8 PHE QE . . 5.010 4.616 4.388 5.075 0.065 1 0 "[ . 1 . 2]" 1
108 1 8 PHE H 1 22 LEU MD1 . . 5.220 4.855 4.555 5.098 . 0 0 "[ . 1 . 2]" 1
109 1 8 PHE H 1 34 LEU MD1 . . 5.250 5.169 4.760 5.282 0.032 1 0 "[ . 1 . 2]" 1
110 1 8 PHE HA 1 8 PHE QD . . 3.020 2.386 2.251 2.601 . 0 0 "[ . 1 . 2]" 1
111 1 8 PHE HA 1 8 PHE QE . . 5.300 4.557 4.493 4.612 . 0 0 "[ . 1 . 2]" 1
112 1 8 PHE HA 1 9 GLY H . . 3.450 2.607 2.504 3.469 0.019 8 0 "[ . 1 . 2]" 1
113 1 8 PHE HA 1 34 LEU H . . 4.290 3.220 2.692 3.651 . 0 0 "[ . 1 . 2]" 1
114 1 8 PHE HA 1 34 LEU MD1 . . 3.780 2.982 2.594 3.314 . 0 0 "[ . 1 . 2]" 1
115 1 8 PHE HA 1 34 LEU HG . . 3.070 2.805 2.417 3.142 0.072 8 0 "[ . 1 . 2]" 1
116 1 8 PHE HB2 1 9 GLY H . . 3.170 3.141 2.080 3.261 0.091 9 0 "[ . 1 . 2]" 1
117 1 8 PHE HB2 1 22 LEU MD1 . . 3.980 3.210 2.852 3.664 . 0 0 "[ . 1 . 2]" 1
118 1 8 PHE HB2 1 34 LEU HG . . 5.350 4.808 4.223 5.053 . 0 0 "[ . 1 . 2]" 1
119 1 8 PHE HB3 1 9 GLY H . . 3.090 2.161 2.095 2.279 . 0 0 "[ . 1 . 2]" 1
120 1 8 PHE HB3 1 22 LEU MD1 . . 3.720 3.022 2.668 3.355 . 0 0 "[ . 1 . 2]" 1
121 1 8 PHE HB3 1 34 LEU H . . 5.500 3.190 2.412 4.092 . 0 0 "[ . 1 . 2]" 1
122 1 8 PHE QD 1 9 GLY H . . 4.060 3.911 3.732 4.061 0.001 8 0 "[ . 1 . 2]" 1
123 1 8 PHE QD 1 22 LEU MD1 . . 2.910 2.556 2.367 2.790 . 0 0 "[ . 1 . 2]" 1
124 1 8 PHE QD 1 22 LEU MD2 . . 4.460 4.255 4.013 4.467 0.007 1 0 "[ . 1 . 2]" 1
125 1 8 PHE QD 1 24 TYR QE . . 4.840 3.637 2.435 4.274 . 0 0 "[ . 1 . 2]" 1
126 1 8 PHE QD 1 33 ASP HA . . 2.650 2.532 2.229 2.691 0.041 19 0 "[ . 1 . 2]" 1
127 1 8 PHE QD 1 33 ASP QB . . 4.610 3.922 3.170 4.375 . 0 0 "[ . 1 . 2]" 1
128 1 8 PHE QD 1 34 LEU H . . 3.530 2.303 1.870 2.651 . 0 0 "[ . 1 . 2]" 1
129 1 8 PHE QD 1 34 LEU MD1 . . 4.740 4.249 3.851 4.557 . 0 0 "[ . 1 . 2]" 1
130 1 8 PHE QD 1 34 LEU HG . . 4.190 3.501 2.956 3.916 . 0 0 "[ . 1 . 2]" 1
131 1 8 PHE QD 1 35 SER H . . 4.450 2.958 2.491 3.730 . 0 0 "[ . 1 . 2]" 1
132 1 8 PHE QE 1 22 LEU MD1 . . 3.180 2.963 2.618 3.207 0.027 2 0 "[ . 1 . 2]" 1
133 1 8 PHE QE 1 22 LEU MD2 . . 4.430 3.632 3.375 3.927 . 0 0 "[ . 1 . 2]" 1
134 1 8 PHE QE 1 24 TYR QE . . 3.130 2.329 2.169 2.461 . 0 0 "[ . 1 . 2]" 1
135 1 8 PHE QE 1 33 ASP HA . . 4.090 3.535 2.867 4.012 . 0 0 "[ . 1 . 2]" 1
136 1 8 PHE QE 1 33 ASP QB . . 4.570 3.671 2.789 4.477 . 0 0 "[ . 1 . 2]" 1
137 1 8 PHE QE 1 34 LEU H . . 4.750 4.090 3.071 4.589 . 0 0 "[ . 1 . 2]" 1
138 1 8 PHE QE 1 35 SER H . . 5.500 3.086 2.513 3.746 . 0 0 "[ . 1 . 2]" 1
139 1 9 GLY H 1 10 CYS H . . 4.540 4.261 2.333 4.565 0.025 6 0 "[ . 1 . 2]" 1
140 1 9 GLY H 1 22 LEU MD1 . . 4.720 4.554 4.105 4.790 0.070 7 0 "[ . 1 . 2]" 1
141 1 9 GLY H 1 31 CYS HA . . 5.420 4.992 4.290 5.301 . 0 0 "[ . 1 . 2]" 1
142 1 9 GLY H 1 32 CYS H . . 3.930 3.408 3.094 3.770 . 0 0 "[ . 1 . 2]" 1
143 1 9 GLY H 1 32 CYS HB2 . . 5.500 5.227 4.983 5.522 0.022 14 0 "[ . 1 . 2]" 1
144 1 9 GLY H 1 33 ASP HA . . 4.630 4.265 3.801 4.660 0.030 7 0 "[ . 1 . 2]" 1
145 1 9 GLY H 1 34 LEU H . . 4.680 3.531 3.040 4.479 . 0 0 "[ . 1 . 2]" 1
146 1 9 GLY H 1 34 LEU MD1 . . 4.190 2.995 2.735 3.946 . 0 0 "[ . 1 . 2]" 1
147 1 9 GLY H 1 34 LEU MD2 . . 4.370 3.242 3.006 3.951 . 0 0 "[ . 1 . 2]" 1
148 1 9 GLY H 1 34 LEU HG . . 3.420 2.361 2.090 3.411 . 0 0 "[ . 1 . 2]" 1
149 1 9 GLY QA 1 10 CYS H . . 2.640 2.299 2.220 2.819 0.179 7 0 "[ . 1 . 2]" 1
150 1 9 GLY QA 1 11 LEU QD . . 4.060 2.739 2.447 3.053 . 0 0 "[ . 1 . 2]" 1
151 1 9 GLY QA 1 32 CYS H . . 5.340 4.260 3.784 4.978 . 0 0 "[ . 1 . 2]" 1
152 1 9 GLY QA 1 34 LEU MD1 . . 3.100 2.276 2.094 2.421 . 0 0 "[ . 1 . 2]" 1
153 1 9 GLY QA 1 34 LEU MD2 . . 3.930 2.770 2.255 3.634 . 0 0 "[ . 1 . 2]" 1
154 1 9 GLY HA2 1 10 CYS H . . 3.080 2.519 2.362 3.171 0.091 9 0 "[ . 1 . 2]" 1
155 1 9 GLY HA2 1 34 LEU MD1 . . 3.600 3.251 2.891 3.559 . 0 0 "[ . 1 . 2]" 1
156 1 9 GLY HA3 1 10 CYS H . . 3.080 2.668 2.470 3.208 0.128 7 0 "[ . 1 . 2]" 1
157 1 9 GLY HA3 1 34 LEU MD1 . . 3.600 2.329 2.149 2.492 . 0 0 "[ . 1 . 2]" 1
158 1 10 CYS H 1 10 CYS HB2 . . 3.970 2.785 2.549 3.505 . 0 0 "[ . 1 . 2]" 1
159 1 10 CYS H 1 10 CYS QB . . 3.270 2.713 2.506 3.278 0.008 7 0 "[ . 1 . 2]" 1
160 1 10 CYS H 1 10 CYS HB3 . . 3.970 3.803 3.690 3.997 0.027 9 0 "[ . 1 . 2]" 1
161 1 10 CYS H 1 11 LEU QD . . 3.780 3.090 2.699 3.816 0.036 7 0 "[ . 1 . 2]" 1
162 1 10 CYS H 1 34 LEU MD2 . . 5.500 4.707 4.198 5.280 . 0 0 "[ . 1 . 2]" 1
163 1 10 CYS HA 1 11 LEU H . . 2.880 2.512 2.232 2.920 0.040 1 0 "[ . 1 . 2]" 1
164 1 10 CYS HA 1 30 VAL H . . 4.510 3.988 3.646 4.339 . 0 0 "[ . 1 . 2]" 1
165 1 10 CYS HA 1 31 CYS HA . . 3.840 2.750 2.436 3.296 . 0 0 "[ . 1 . 2]" 1
166 1 10 CYS HA 1 32 CYS H . . 4.200 3.573 3.213 3.928 . 0 0 "[ . 1 . 2]" 1
167 1 10 CYS QB 1 27 CYS HA . . 3.420 3.159 2.968 3.394 . 0 0 "[ . 1 . 2]" 1
168 1 10 CYS QB 1 27 CYS QB . . 3.080 2.183 2.121 2.278 . 0 0 "[ . 1 . 2]" 1
169 1 10 CYS QB 1 28 SER H . . 3.100 2.657 2.364 2.934 . 0 0 "[ . 1 . 2]" 1
170 1 10 CYS QB 1 30 VAL H . . 4.470 3.674 3.412 4.045 . 0 0 "[ . 1 . 2]" 1
171 1 10 CYS HB2 1 27 CYS HA . . 4.180 4.005 3.563 4.370 0.190 16 0 "[ . 1 . 2]" 1
172 1 10 CYS HB2 1 27 CYS QB . . 3.980 3.728 3.601 3.846 . 0 0 "[ . 1 . 2]" 1
173 1 10 CYS HB2 1 28 SER H . . 3.770 3.873 3.826 3.925 0.155 10 0 "[ . 1 . 2]" 1
174 1 10 CYS HB3 1 28 SER H . . 3.770 2.711 2.386 3.037 . 0 0 "[ . 1 . 2]" 1
175 1 11 LEU H 1 11 LEU HB2 . . 3.070 2.234 2.160 2.308 . 0 0 "[ . 1 . 2]" 1
176 1 11 LEU H 1 11 LEU HB3 . . 3.790 3.515 3.470 3.568 . 0 0 "[ . 1 . 2]" 1
177 1 11 LEU H 1 11 LEU MD1 . . 5.500 3.677 2.350 4.100 . 0 0 "[ . 1 . 2]" 1
178 1 11 LEU H 1 11 LEU QD . . 3.980 2.283 2.082 2.639 . 0 0 "[ . 1 . 2]" 1
179 1 11 LEU H 1 11 LEU MD2 . . 5.500 2.529 2.093 3.966 . 0 0 "[ . 1 . 2]" 1
180 1 11 LEU H 1 11 LEU HG . . 4.250 3.939 3.822 4.251 0.001 14 0 "[ . 1 . 2]" 1
181 1 11 LEU H 1 32 CYS H . . 4.100 3.883 3.614 4.090 . 0 0 "[ . 1 . 2]" 1
182 1 11 LEU H 1 32 CYS HB2 . . 4.120 2.998 2.483 3.680 . 0 0 "[ . 1 . 2]" 1
183 1 11 LEU HA 1 11 LEU QD . . 2.860 2.153 2.045 2.652 . 0 0 "[ . 1 . 2]" 1
184 1 11 LEU HA 1 11 LEU HG . . 4.150 3.569 2.442 3.782 . 0 0 "[ . 1 . 2]" 1
185 1 11 LEU HA 1 12 PRO HD2 . . 2.970 2.488 2.410 2.598 . 0 0 "[ . 1 . 2]" 1
186 1 11 LEU HA 1 12 PRO HD3 . . 2.960 2.459 2.272 2.578 . 0 0 "[ . 1 . 2]" 1
187 1 11 LEU HA 1 12 PRO QG . . 4.660 4.150 4.064 4.228 . 0 0 "[ . 1 . 2]" 1
188 1 11 LEU HB2 1 12 PRO HD2 . . 4.070 3.892 3.823 4.008 . 0 0 "[ . 1 . 2]" 1
189 1 11 LEU HB2 1 12 PRO HD3 . . 4.920 4.903 4.848 4.924 0.004 19 0 "[ . 1 . 2]" 1
190 1 11 LEU HB2 1 15 ASP QB . . 4.610 4.185 3.929 4.604 . 0 0 "[ . 1 . 2]" 1
191 1 11 LEU HB2 1 16 CYS QB . . 3.240 2.539 2.217 3.280 0.040 11 0 "[ . 1 . 2]" 1
192 1 11 LEU HB2 1 32 CYS HB2 . . 3.250 2.563 2.289 2.901 . 0 0 "[ . 1 . 2]" 1
193 1 11 LEU HB2 1 32 CYS HB3 . . 3.560 2.936 2.592 3.292 . 0 0 "[ . 1 . 2]" 1
194 1 11 LEU HB2 1 34 LEU MD2 . . 4.340 4.184 3.501 4.374 0.034 19 0 "[ . 1 . 2]" 1
195 1 11 LEU HB3 1 12 PRO HD2 . . 4.050 2.342 2.248 2.486 . 0 0 "[ . 1 . 2]" 1
196 1 11 LEU HB3 1 12 PRO HD3 . . 3.720 3.735 3.681 3.775 0.055 1 0 "[ . 1 . 2]" 1
197 1 11 LEU HB3 1 15 ASP QB . . 3.310 2.629 2.340 3.079 . 0 0 "[ . 1 . 2]" 1
198 1 11 LEU HB3 1 16 CYS H . . 2.940 2.962 2.940 3.006 0.066 10 0 "[ . 1 . 2]" 1
199 1 11 LEU HB3 1 16 CYS QB . . 3.440 2.762 2.432 3.403 . 0 0 "[ . 1 . 2]" 1
200 1 11 LEU HB3 1 32 CYS HB2 . . 4.270 4.140 3.904 4.314 0.044 14 0 "[ . 1 . 2]" 1
201 1 11 LEU QD 1 12 PRO HD2 . . 3.580 2.426 2.177 3.479 . 0 0 "[ . 1 . 2]" 1
202 1 11 LEU QD 1 12 PRO HD3 . . 4.260 3.255 2.866 4.318 0.058 19 0 "[ . 1 . 2]" 1
203 1 11 LEU QD 1 12 PRO QG . . 3.700 3.759 3.538 4.510 0.810 19 3 "[ . * 1 - . +2]" 1
204 1 11 LEU QD 1 16 CYS H . . 4.130 4.104 3.498 4.304 0.174 17 0 "[ . 1 . 2]" 1
205 1 11 LEU QD 1 16 CYS QB . . 4.900 3.830 3.000 4.357 . 0 0 "[ . 1 . 2]" 1
206 1 11 LEU QD 1 32 CYS H . . 5.320 4.364 3.980 4.669 . 0 0 "[ . 1 . 2]" 1
207 1 11 LEU QD 1 32 CYS HB2 . . 4.390 3.440 2.987 4.079 . 0 0 "[ . 1 . 2]" 1
208 1 11 LEU MD1 1 12 PRO HD2 . . 4.230 2.558 2.184 4.250 0.020 19 0 "[ . 1 . 2]" 1
209 1 11 LEU MD2 1 12 PRO HD2 . . 4.230 4.144 3.483 4.288 0.058 10 0 "[ . 1 . 2]" 1
210 1 11 LEU HG 1 12 PRO HD3 . . 5.500 5.216 3.885 5.508 0.008 16 0 "[ . 1 . 2]" 1
211 1 11 LEU HG 1 32 CYS HB2 . . 5.330 4.545 3.892 5.339 0.009 19 0 "[ . 1 . 2]" 1
212 1 11 LEU HG 1 32 CYS HB3 . . 5.120 4.071 3.515 5.131 0.011 13 0 "[ . 1 . 2]" 1
213 1 12 PRO HA 1 13 GLN H . . 2.890 2.352 2.266 2.419 . 0 0 "[ . 1 . 2]" 1
214 1 12 PRO HA 1 29 THR HB . . 4.630 2.396 2.133 2.923 . 0 0 "[ . 1 . 2]" 1
215 1 12 PRO HA 1 30 VAL QG . . 4.950 2.971 2.377 3.212 . 0 0 "[ . 1 . 2]" 1
216 1 12 PRO HB3 1 13 GLN H . . 3.230 2.779 2.621 2.950 . 0 0 "[ . 1 . 2]" 1
217 1 12 PRO HB3 1 14 SER H . . 3.770 2.378 2.181 2.871 . 0 0 "[ . 1 . 2]" 1
218 1 12 PRO HB3 1 15 ASP H . . 3.980 3.470 3.229 3.810 . 0 0 "[ . 1 . 2]" 1
219 1 12 PRO HB3 1 29 THR MG . . 4.570 3.776 3.506 4.211 . 0 0 "[ . 1 . 2]" 1
220 1 12 PRO HD2 1 16 CYS H . . 4.560 3.995 3.830 4.142 . 0 0 "[ . 1 . 2]" 1
221 1 12 PRO HD3 1 15 ASP QB . . 4.150 3.920 3.718 4.157 0.007 17 0 "[ . 1 . 2]" 1
222 1 13 GLN H 1 13 GLN HB2 . . 3.360 2.385 2.326 2.560 . 0 0 "[ . 1 . 2]" 1
223 1 13 GLN H 1 13 GLN HG2 . . 4.210 3.620 3.441 3.881 . 0 0 "[ . 1 . 2]" 1
224 1 13 GLN H 1 13 GLN QG . . 3.370 2.386 2.182 3.169 . 0 0 "[ . 1 . 2]" 1
225 1 13 GLN H 1 13 GLN HG3 . . 4.210 2.429 2.205 3.367 . 0 0 "[ . 1 . 2]" 1
226 1 13 GLN H 1 14 SER H . . 3.410 2.697 2.618 2.851 . 0 0 "[ . 1 . 2]" 1
227 1 13 GLN H 1 15 ASP H . . 5.380 4.371 4.191 4.691 . 0 0 "[ . 1 . 2]" 1
228 1 13 GLN H 1 16 CYS QB . . 5.340 4.926 4.616 5.413 0.073 10 0 "[ . 1 . 2]" 1
229 1 13 GLN H 1 29 THR HB . . 3.870 3.012 2.565 3.230 . 0 0 "[ . 1 . 2]" 1
230 1 13 GLN H 1 29 THR MG . . 3.810 3.708 3.258 3.843 0.033 14 0 "[ . 1 . 2]" 1
231 1 13 GLN H 1 30 VAL H . . 5.480 5.160 4.968 5.444 . 0 0 "[ . 1 . 2]" 1
232 1 13 GLN H 1 30 VAL QG . . 5.440 3.001 2.725 3.156 . 0 0 "[ . 1 . 2]" 1
233 1 13 GLN HA 1 13 GLN HB3 . . 2.970 2.530 2.465 2.560 . 0 0 "[ . 1 . 2]" 1
234 1 13 GLN HA 1 13 GLN QE . . 5.340 4.759 4.433 4.881 . 0 0 "[ . 1 . 2]" 1
235 1 13 GLN HA 1 13 GLN HG2 . . 3.820 2.635 2.435 3.695 . 0 0 "[ . 1 . 2]" 1
236 1 13 GLN HA 1 13 GLN QG . . 3.110 2.386 2.311 2.466 . 0 0 "[ . 1 . 2]" 1
237 1 13 GLN HA 1 13 GLN HG3 . . 3.820 2.884 2.483 3.049 . 0 0 "[ . 1 . 2]" 1
238 1 13 GLN HA 1 16 CYS H . . 5.250 3.864 3.633 4.509 . 0 0 "[ . 1 . 2]" 1
239 1 13 GLN HA 1 16 CYS QB . . 4.020 3.140 2.695 4.085 0.065 10 0 "[ . 1 . 2]" 1
240 1 13 GLN HA 1 21 ARG HE . . 4.550 3.531 2.895 4.107 . 0 0 "[ . 1 . 2]" 1
241 1 13 GLN HA 1 30 VAL MG1 . . 4.190 2.449 2.291 2.700 . 0 0 "[ . 1 . 2]" 1
242 1 13 GLN HA 1 30 VAL QG . . 3.060 2.434 2.280 2.670 . 0 0 "[ . 1 . 2]" 1
243 1 13 GLN HA 1 30 VAL MG2 . . 4.190 4.226 4.171 4.258 0.068 14 0 "[ . 1 . 2]" 1
244 1 13 GLN HB2 1 14 SER H . . 3.220 3.030 2.703 3.247 0.027 9 0 "[ . 1 . 2]" 1
245 1 13 GLN HB2 1 30 VAL QG . . 4.160 4.030 3.902 4.271 0.111 4 0 "[ . 1 . 2]" 1
246 1 13 GLN HB3 1 14 SER H . . 4.020 3.904 3.695 4.038 0.018 18 0 "[ . 1 . 2]" 1
247 1 13 GLN HB3 1 30 VAL QG . . 3.800 3.865 3.786 3.951 0.151 7 0 "[ . 1 . 2]" 1
248 1 13 GLN QE 1 13 GLN QG . . 2.900 2.208 2.139 2.492 . 0 0 "[ . 1 . 2]" 1
249 1 13 GLN QE 1 29 THR HA . . 4.070 3.726 2.901 4.114 0.044 14 0 "[ . 1 . 2]" 1
250 1 13 GLN QE 1 30 VAL QG . . 4.600 3.670 2.821 4.098 . 0 0 "[ . 1 . 2]" 1
251 1 13 GLN QG 1 14 SER H . . 4.700 4.363 4.278 4.629 . 0 0 "[ . 1 . 2]" 1
252 1 13 GLN QG 1 30 VAL QG . . 3.270 2.107 1.963 2.368 . 0 0 "[ . 1 . 2]" 1
253 1 14 SER H 1 14 SER HB2 . . 3.480 2.566 2.311 3.540 0.060 14 0 "[ . 1 . 2]" 1
254 1 14 SER H 1 14 SER QB . . 2.930 2.318 2.185 2.592 . 0 0 "[ . 1 . 2]" 1
255 1 14 SER H 1 14 SER HB3 . . 3.480 3.076 2.375 3.550 0.070 2 0 "[ . 1 . 2]" 1
256 1 14 SER H 1 15 ASP H . . 3.120 2.707 2.602 2.885 . 0 0 "[ . 1 . 2]" 1
257 1 14 SER H 1 15 ASP QB . . 5.340 4.550 4.241 4.901 . 0 0 "[ . 1 . 2]" 1
258 1 14 SER H 1 16 CYS H . . 4.900 4.512 4.269 4.902 0.002 10 0 "[ . 1 . 2]" 1
259 1 15 ASP H 1 15 ASP HB2 . . 3.610 2.616 2.335 3.084 . 0 0 "[ . 1 . 2]" 1
260 1 15 ASP H 1 15 ASP QB . . 2.730 2.368 2.237 2.525 . 0 0 "[ . 1 . 2]" 1
261 1 15 ASP H 1 15 ASP HB3 . . 3.610 3.031 2.475 3.695 0.085 2 0 "[ . 1 . 2]" 1
262 1 15 ASP H 1 16 CYS H . . 2.980 2.449 2.044 2.807 . 0 0 "[ . 1 . 2]" 1
263 1 15 ASP H 1 16 CYS HA . . 5.500 5.039 4.729 5.374 . 0 0 "[ . 1 . 2]" 1
264 1 15 ASP H 1 16 CYS QB . . 4.950 4.139 3.766 4.502 . 0 0 "[ . 1 . 2]" 1
265 1 15 ASP QB 1 16 CYS H . . 3.610 2.416 2.155 2.694 . 0 0 "[ . 1 . 2]" 1
266 1 16 CYS H 1 16 CYS HB2 . . 3.330 2.329 2.058 2.476 . 0 0 "[ . 1 . 2]" 1
267 1 16 CYS H 1 16 CYS HB3 . . 3.330 2.767 2.530 3.432 0.102 14 0 "[ . 1 . 2]" 1
268 1 16 CYS H 1 17 PRO HD2 . . 4.840 4.873 4.865 4.890 0.050 13 0 "[ . 1 . 2]" 1
269 1 16 CYS HA 1 17 PRO HD2 . . 3.060 2.229 2.142 2.583 . 0 0 "[ . 1 . 2]" 1
270 1 16 CYS HA 1 17 PRO HD3 . . 3.170 2.490 2.315 2.591 . 0 0 "[ . 1 . 2]" 1
271 1 16 CYS HA 1 17 PRO QG . . 4.520 4.011 3.970 4.128 . 0 0 "[ . 1 . 2]" 1
272 1 16 CYS HA 1 37 LEU MD1 . . 4.570 3.918 3.067 4.611 0.041 5 0 "[ . 1 . 2]" 1
273 1 16 CYS HA 1 37 LEU QD . . 4.010 3.395 2.725 3.779 . 0 0 "[ . 1 . 2]" 1
274 1 16 CYS HA 1 37 LEU MD2 . . 4.570 3.963 2.758 4.599 0.029 9 0 "[ . 1 . 2]" 1
275 1 16 CYS QB 1 21 ARG HE . . 4.140 3.356 2.904 4.127 . 0 0 "[ . 1 . 2]" 1
276 1 16 CYS QB 1 30 VAL QG . . 3.320 2.731 2.385 3.640 0.320 10 0 "[ . 1 . 2]" 1
277 1 16 CYS QB 1 32 CYS HB2 . . 3.830 2.855 2.752 2.979 . 0 0 "[ . 1 . 2]" 1
278 1 16 CYS QB 1 37 LEU QD . . 5.150 4.251 3.210 4.795 . 0 0 "[ . 1 . 2]" 1
279 1 16 CYS HB3 1 32 CYS HB2 . . 4.170 3.873 3.181 4.168 . 0 0 "[ . 1 . 2]" 1
280 1 17 PRO HA 1 18 GLN H . . 2.780 2.435 2.360 2.531 . 0 0 "[ . 1 . 2]" 1
281 1 17 PRO HA 1 21 ARG HE . . 4.460 4.283 3.958 4.497 0.037 1 0 "[ . 1 . 2]" 1
282 1 17 PRO HD2 1 20 ALA H . . 4.250 4.140 3.712 4.298 0.048 6 0 "[ . 1 . 2]" 1
283 1 17 PRO HD2 1 20 ALA MB . . 3.190 2.515 2.264 2.817 . 0 0 "[ . 1 . 2]" 1
284 1 17 PRO HD2 1 37 LEU MD1 . . 4.120 3.070 2.263 4.121 0.001 14 0 "[ . 1 . 2]" 1
285 1 17 PRO HD2 1 37 LEU QD . . 3.270 2.497 2.113 2.990 . 0 0 "[ . 1 . 2]" 1
286 1 17 PRO HD2 1 37 LEU MD2 . . 4.120 3.220 2.120 4.123 0.003 17 0 "[ . 1 . 2]" 1
287 1 17 PRO HD3 1 37 LEU QD . . 3.960 2.812 2.424 3.203 . 0 0 "[ . 1 . 2]" 1
288 1 17 PRO QG 1 20 ALA MB . . 3.330 2.267 2.169 2.440 . 0 0 "[ . 1 . 2]" 1
289 1 17 PRO QG 1 37 LEU QD . . 3.710 2.545 2.253 2.963 . 0 0 "[ . 1 . 2]" 1
290 1 18 GLN H 1 18 GLN HB2 . . 3.800 2.332 2.221 2.455 . 0 0 "[ . 1 . 2]" 1
291 1 18 GLN H 1 18 GLN QB . . 3.010 2.303 2.199 2.416 . 0 0 "[ . 1 . 2]" 1
292 1 18 GLN H 1 18 GLN HB3 . . 3.800 3.563 3.522 3.596 . 0 0 "[ . 1 . 2]" 1
293 1 18 GLN H 1 18 GLN HG3 . . 3.160 2.470 2.317 2.679 . 0 0 "[ . 1 . 2]" 1
294 1 18 GLN H 1 19 GLU H . . 3.970 2.612 2.544 2.874 . 0 0 "[ . 1 . 2]" 1
295 1 18 GLN H 1 19 GLU HG2 . . 3.300 3.401 3.314 3.437 0.137 17 0 "[ . 1 . 2]" 1
296 1 18 GLN H 1 21 ARG HD2 . . 5.460 5.229 5.041 5.409 . 0 0 "[ . 1 . 2]" 1
297 1 18 GLN H 1 21 ARG HE . . 4.800 4.449 4.141 4.599 . 0 0 "[ . 1 . 2]" 1
298 1 18 GLN HA 1 18 GLN HG2 . . 2.790 2.484 2.358 2.572 . 0 0 "[ . 1 . 2]" 1
299 1 18 GLN HA 1 20 ALA H . . 5.000 4.379 4.048 4.823 . 0 0 "[ . 1 . 2]" 1
300 1 18 GLN HA 1 21 ARG H . . 4.240 3.826 3.486 4.267 0.027 6 0 "[ . 1 . 2]" 1
301 1 18 GLN HA 1 21 ARG QB . . 4.080 3.568 3.236 3.992 . 0 0 "[ . 1 . 2]" 1
302 1 18 GLN HA 1 21 ARG HD2 . . 2.800 2.388 2.248 2.553 . 0 0 "[ . 1 . 2]" 1
303 1 18 GLN HA 1 21 ARG HD3 . . 3.990 3.888 3.809 4.009 0.019 10 0 "[ . 1 . 2]" 1
304 1 18 GLN HA 1 21 ARG HE . . 3.560 2.722 2.421 2.998 . 0 0 "[ . 1 . 2]" 1
305 1 18 GLN HG2 1 21 ARG HD2 . . 4.150 3.383 2.894 3.890 . 0 0 "[ . 1 . 2]" 1
306 1 18 GLN HG2 1 21 ARG HD3 . . 4.830 4.589 4.187 4.903 0.073 1 0 "[ . 1 . 2]" 1
307 1 18 GLN HG3 1 21 ARG HE . . 5.230 4.010 3.583 4.512 . 0 0 "[ . 1 . 2]" 1
308 1 19 GLU H 1 19 GLU HG2 . . 2.730 1.842 1.764 2.193 . 0 0 "[ . 1 . 2]" 1
309 1 19 GLU H 1 19 GLU HG3 . . 3.160 2.621 2.408 2.812 . 0 0 "[ . 1 . 2]" 1
310 1 19 GLU H 1 20 ALA H . . 3.220 2.370 2.054 2.525 . 0 0 "[ . 1 . 2]" 1
311 1 19 GLU H 1 21 ARG H . . 3.900 3.875 3.324 3.976 0.076 12 0 "[ . 1 . 2]" 1
312 1 19 GLU HA 1 19 GLU HG2 . . 3.710 3.721 3.697 3.742 0.032 16 0 "[ . 1 . 2]" 1
313 1 19 GLU HA 1 19 GLU HG3 . . 3.820 3.839 3.814 3.863 0.043 1 0 "[ . 1 . 2]" 1
314 1 19 GLU HA 1 21 ARG H . . 4.250 3.929 3.600 4.245 . 0 0 "[ . 1 . 2]" 1
315 1 19 GLU HB2 1 19 GLU HG3 . . 2.670 2.503 2.453 2.540 . 0 0 "[ . 1 . 2]" 1
316 1 19 GLU HB2 1 20 ALA H . . 3.490 3.563 3.528 3.603 0.113 10 0 "[ . 1 . 2]" 1
317 1 19 GLU HG2 1 20 ALA H . . 3.360 3.099 2.841 3.332 . 0 0 "[ . 1 . 2]" 1
318 1 19 GLU HG3 1 20 ALA H . . 2.980 2.220 2.118 2.359 . 0 0 "[ . 1 . 2]" 1
319 1 19 GLU HG3 1 20 ALA MB . . 4.090 3.040 2.681 3.372 . 0 0 "[ . 1 . 2]" 1
320 1 19 GLU HG3 1 37 LEU QD . . 4.680 4.459 3.531 5.048 0.368 7 0 "[ . 1 . 2]" 1
321 1 20 ALA H 1 20 ALA MB . . 2.550 2.206 2.155 2.242 . 0 0 "[ . 1 . 2]" 1
322 1 20 ALA H 1 21 ARG H . . 2.720 2.689 2.512 2.762 0.042 10 0 "[ . 1 . 2]" 1
323 1 20 ALA H 1 21 ARG HE . . 5.500 5.415 5.084 5.547 0.047 8 0 "[ . 1 . 2]" 1
324 1 20 ALA HA 1 33 ASP H . . 4.210 3.677 3.513 3.842 . 0 0 "[ . 1 . 2]" 1
325 1 20 ALA MB 1 21 ARG H . . 3.580 3.218 3.100 3.363 . 0 0 "[ . 1 . 2]" 1
326 1 20 ALA MB 1 22 LEU H . . 5.160 4.944 4.739 5.179 0.019 3 0 "[ . 1 . 2]" 1
327 1 20 ALA MB 1 32 CYS HA . . 3.340 3.153 2.797 3.372 0.032 14 0 "[ . 1 . 2]" 1
328 1 20 ALA MB 1 33 ASP H . . 3.080 2.633 2.325 3.067 . 0 0 "[ . 1 . 2]" 1
329 1 20 ALA MB 1 33 ASP QB . . 4.560 3.600 2.553 4.434 . 0 0 "[ . 1 . 2]" 1
330 1 20 ALA MB 1 34 LEU HA . . 5.160 4.933 4.493 5.199 0.039 5 0 "[ . 1 . 2]" 1
331 1 20 ALA MB 1 37 LEU H . . 5.400 5.018 4.584 5.406 0.006 9 0 "[ . 1 . 2]" 1
332 1 20 ALA MB 1 37 LEU MD1 . . 4.020 3.091 2.244 4.107 0.087 14 0 "[ . 1 . 2]" 1
333 1 20 ALA MB 1 37 LEU QD . . 3.290 2.452 1.945 3.005 . 0 0 "[ . 1 . 2]" 1
334 1 20 ALA MB 1 37 LEU MD2 . . 4.020 3.184 1.949 4.044 0.024 13 0 "[ . 1 . 2]" 1
335 1 21 ARG H 1 21 ARG QB . . 2.640 2.414 2.356 2.491 . 0 0 "[ . 1 . 2]" 1
336 1 21 ARG H 1 21 ARG HD3 . . 5.230 4.837 4.700 4.936 . 0 0 "[ . 1 . 2]" 1
337 1 21 ARG H 1 21 ARG QG . . 3.120 2.246 1.962 2.335 . 0 0 "[ . 1 . 2]" 1
338 1 21 ARG H 1 22 LEU H . . 4.520 4.380 4.260 4.507 . 0 0 "[ . 1 . 2]" 1
339 1 21 ARG H 1 22 LEU HG . . 5.500 5.401 5.229 5.515 0.015 1 0 "[ . 1 . 2]" 1
340 1 21 ARG H 1 32 CYS HA . . 5.500 4.802 4.509 5.005 . 0 0 "[ . 1 . 2]" 1
341 1 21 ARG HA 1 21 ARG HE . . 5.110 4.934 4.730 5.260 0.150 10 0 "[ . 1 . 2]" 1
342 1 21 ARG HA 1 21 ARG QG . . 3.630 2.346 2.130 2.431 . 0 0 "[ . 1 . 2]" 1
343 1 21 ARG HA 1 22 LEU H . . 2.940 2.127 2.086 2.178 . 0 0 "[ . 1 . 2]" 1
344 1 21 ARG HA 1 30 VAL QG . . 4.200 2.986 2.533 3.519 . 0 0 "[ . 1 . 2]" 1
345 1 21 ARG HA 1 32 CYS H . . 5.500 5.195 4.716 5.461 . 0 0 "[ . 1 . 2]" 1
346 1 21 ARG HA 1 33 ASP H . . 4.820 4.256 3.860 4.709 . 0 0 "[ . 1 . 2]" 1
347 1 21 ARG QB 1 21 ARG HD2 . . 2.610 2.372 2.218 2.632 0.022 10 0 "[ . 1 . 2]" 1
348 1 21 ARG QB 1 21 ARG HD3 . . 2.740 2.508 2.230 2.576 . 0 0 "[ . 1 . 2]" 1
349 1 21 ARG QB 1 21 ARG HE . . 4.000 3.943 3.897 4.147 0.147 10 0 "[ . 1 . 2]" 1
350 1 21 ARG QB 1 22 LEU H . . 3.610 3.522 3.315 3.635 0.025 1 0 "[ . 1 . 2]" 1
351 1 21 ARG HD2 1 30 VAL MG1 . . 5.500 4.787 4.629 4.996 . 0 0 "[ . 1 . 2]" 1
352 1 21 ARG HD2 1 30 VAL QG . . 4.160 3.640 3.519 3.894 . 0 0 "[ . 1 . 2]" 1
353 1 21 ARG HD2 1 30 VAL MG2 . . 5.500 3.774 3.646 4.081 . 0 0 "[ . 1 . 2]" 1
354 1 21 ARG HD3 1 30 VAL QG . . 4.470 2.269 2.088 2.569 . 0 0 "[ . 1 . 2]" 1
355 1 21 ARG HE 1 21 ARG QG . . 2.870 2.222 2.135 2.717 . 0 0 "[ . 1 . 2]" 1
356 1 21 ARG HE 1 30 VAL MG1 . . 4.330 3.650 3.282 4.359 0.029 10 0 "[ . 1 . 2]" 1
357 1 21 ARG HE 1 30 VAL MG2 . . 4.330 3.932 3.583 4.311 . 0 0 "[ . 1 . 2]" 1
358 1 21 ARG QG 1 22 LEU H . . 4.970 4.177 4.070 4.295 . 0 0 "[ . 1 . 2]" 1
359 1 22 LEU H 1 22 LEU QB . . 2.950 2.309 2.222 2.450 . 0 0 "[ . 1 . 2]" 1
360 1 22 LEU H 1 22 LEU MD1 . . 4.220 3.359 3.220 3.549 . 0 0 "[ . 1 . 2]" 1
361 1 22 LEU H 1 22 LEU MD2 . . 4.150 3.743 3.369 3.938 . 0 0 "[ . 1 . 2]" 1
362 1 22 LEU H 1 22 LEU HG . . 3.610 2.452 2.185 2.648 . 0 0 "[ . 1 . 2]" 1
363 1 22 LEU H 1 31 CYS QB . . 3.700 2.898 2.278 3.375 . 0 0 "[ . 1 . 2]" 1
364 1 22 LEU H 1 32 CYS HA . . 4.090 3.473 3.065 3.786 . 0 0 "[ . 1 . 2]" 1
365 1 22 LEU H 1 33 ASP H . . 4.450 3.973 3.618 4.353 . 0 0 "[ . 1 . 2]" 1
366 1 22 LEU HA 1 22 LEU MD1 . . 4.130 3.898 3.856 3.946 . 0 0 "[ . 1 . 2]" 1
367 1 22 LEU HA 1 22 LEU MD2 . . 3.120 2.216 2.136 2.320 . 0 0 "[ . 1 . 2]" 1
368 1 22 LEU HA 1 22 LEU HG . . 3.540 2.902 2.763 3.140 . 0 0 "[ . 1 . 2]" 1
369 1 22 LEU HA 1 23 SER H . . 2.830 2.451 2.376 2.549 . 0 0 "[ . 1 . 2]" 1
370 1 22 LEU QB 1 22 LEU MD1 . . 2.640 2.088 2.052 2.114 . 0 0 "[ . 1 . 2]" 1
371 1 22 LEU QB 1 22 LEU MD2 . . 2.800 2.259 2.213 2.310 . 0 0 "[ . 1 . 2]" 1
372 1 22 LEU QB 1 23 SER H . . 2.860 2.225 2.098 2.333 . 0 0 "[ . 1 . 2]" 1
373 1 22 LEU QB 1 23 SER HA . . 5.060 4.295 4.085 4.372 . 0 0 "[ . 1 . 2]" 1
374 1 22 LEU QB 1 24 TYR H . . 3.050 2.395 2.219 2.615 . 0 0 "[ . 1 . 2]" 1
375 1 22 LEU QB 1 24 TYR QD . . 2.940 2.658 2.326 2.956 0.016 11 0 "[ . 1 . 2]" 1
376 1 22 LEU QB 1 24 TYR QE . . 3.930 3.671 3.386 3.884 . 0 0 "[ . 1 . 2]" 1
377 1 22 LEU QB 1 31 CYS HB2 . . 3.300 2.515 2.049 3.423 0.123 20 0 "[ . 1 . 2]" 1
378 1 22 LEU QB 1 31 CYS QB . . 2.580 2.087 1.939 2.318 . 0 0 "[ . 1 . 2]" 1
379 1 22 LEU QB 1 31 CYS HB3 . . 3.300 2.473 1.970 3.164 . 0 0 "[ . 1 . 2]" 1
380 1 22 LEU QB 1 33 ASP QB . . 4.590 4.421 4.209 4.635 0.045 17 0 "[ . 1 . 2]" 1
381 1 22 LEU MD1 1 23 SER H . . 4.310 4.370 4.328 4.393 0.083 15 0 "[ . 1 . 2]" 1
382 1 22 LEU MD1 1 24 TYR H . . 4.290 4.119 4.035 4.203 . 0 0 "[ . 1 . 2]" 1
383 1 22 LEU MD1 1 24 TYR QD . . 2.780 2.168 2.084 2.268 . 0 0 "[ . 1 . 2]" 1
384 1 22 LEU MD1 1 24 TYR QE . . 2.920 2.809 2.484 2.949 0.029 3 0 "[ . 1 . 2]" 1
385 1 22 LEU MD1 1 31 CYS QB . . 2.910 2.455 2.120 2.990 0.080 2 0 "[ . 1 . 2]" 1
386 1 22 LEU MD1 1 32 CYS H . . 4.770 3.478 3.029 4.167 . 0 0 "[ . 1 . 2]" 1
387 1 22 LEU MD1 1 32 CYS HA . . 4.030 3.836 3.500 4.079 0.049 4 0 "[ . 1 . 2]" 1
388 1 22 LEU MD1 1 33 ASP H . . 3.870 3.210 2.934 3.391 . 0 0 "[ . 1 . 2]" 1
389 1 22 LEU MD1 1 33 ASP HA . . 3.340 2.584 2.401 2.775 . 0 0 "[ . 1 . 2]" 1
390 1 22 LEU MD1 1 33 ASP QB . . 3.070 2.280 2.144 2.542 . 0 0 "[ . 1 . 2]" 1
391 1 22 LEU MD1 1 34 LEU H . . 4.840 4.347 4.121 4.539 . 0 0 "[ . 1 . 2]" 1
392 1 22 LEU MD2 1 23 SER H . . 3.590 3.238 3.039 3.483 . 0 0 "[ . 1 . 2]" 1
393 1 22 LEU MD2 1 24 TYR H . . 4.870 4.181 3.931 4.448 . 0 0 "[ . 1 . 2]" 1
394 1 22 LEU MD2 1 24 TYR QD . . 4.110 3.376 3.080 3.770 . 0 0 "[ . 1 . 2]" 1
395 1 22 LEU MD2 1 24 TYR QE . . 3.520 2.766 2.334 3.121 . 0 0 "[ . 1 . 2]" 1
396 1 22 LEU MD2 1 32 CYS HA . . 5.360 5.219 4.764 5.391 0.031 3 0 "[ . 1 . 2]" 1
397 1 22 LEU MD2 1 33 ASP H . . 4.170 4.042 3.661 4.195 0.025 2 0 "[ . 1 . 2]" 1
398 1 22 LEU MD2 1 33 ASP HA . . 4.690 4.048 3.830 4.237 . 0 0 "[ . 1 . 2]" 1
399 1 22 LEU MD2 1 33 ASP HB2 . . 3.730 3.005 2.236 3.752 0.022 1 0 "[ . 1 . 2]" 1
400 1 22 LEU MD2 1 33 ASP QB . . 3.170 2.295 2.141 2.376 . 0 0 "[ . 1 . 2]" 1
401 1 22 LEU MD2 1 33 ASP HB3 . . 3.730 2.993 2.158 3.761 0.031 2 0 "[ . 1 . 2]" 1
402 1 22 LEU HG 1 24 TYR QD . . 5.500 4.768 4.574 5.045 . 0 0 "[ . 1 . 2]" 1
403 1 22 LEU HG 1 24 TYR QE . . 5.280 5.262 4.901 5.351 0.071 15 0 "[ . 1 . 2]" 1
404 1 22 LEU HG 1 31 CYS QB . . 4.350 3.774 2.938 4.126 . 0 0 "[ . 1 . 2]" 1
405 1 22 LEU HG 1 32 CYS HA . . 4.370 3.836 3.546 4.050 . 0 0 "[ . 1 . 2]" 1
406 1 22 LEU HG 1 33 ASP H . . 3.890 2.950 2.665 3.134 . 0 0 "[ . 1 . 2]" 1
407 1 22 LEU HG 1 33 ASP QB . . 3.710 2.669 2.229 3.284 . 0 0 "[ . 1 . 2]" 1
408 1 23 SER H 1 23 SER HB2 . . 4.130 3.009 2.443 3.745 . 0 0 "[ . 1 . 2]" 1
409 1 23 SER H 1 23 SER QB . . 3.530 2.498 2.264 2.863 . 0 0 "[ . 1 . 2]" 1
410 1 23 SER H 1 23 SER HB3 . . 4.130 2.833 2.479 3.681 . 0 0 "[ . 1 . 2]" 1
411 1 23 SER H 1 24 TYR H . . 3.290 2.343 2.231 2.489 . 0 0 "[ . 1 . 2]" 1
412 1 24 TYR H 1 24 TYR HB3 . . 3.600 3.511 3.456 3.574 . 0 0 "[ . 1 . 2]" 1
413 1 24 TYR H 1 24 TYR QD . . 3.580 3.045 2.872 3.192 . 0 0 "[ . 1 . 2]" 1
414 1 24 TYR H 1 24 TYR QE . . 5.080 4.430 4.240 4.706 . 0 0 "[ . 1 . 2]" 1
415 1 24 TYR H 1 25 GLY H . . 4.640 4.527 3.369 4.627 . 0 0 "[ . 1 . 2]" 1
416 1 24 TYR HA 1 24 TYR HB3 . . 3.020 2.471 2.398 2.557 . 0 0 "[ . 1 . 2]" 1
417 1 24 TYR HA 1 24 TYR QD . . 2.530 2.345 2.205 2.518 . 0 0 "[ . 1 . 2]" 1
418 1 24 TYR HA 1 25 GLY H . . 2.900 2.502 2.317 3.244 0.344 10 0 "[ . 1 . 2]" 1
419 1 24 TYR HB3 1 25 GLY H . . 2.810 2.317 2.003 2.537 . 0 0 "[ . 1 . 2]" 1
420 1 24 TYR QD 1 25 GLY H . . 4.040 3.939 3.784 4.066 0.026 8 0 "[ . 1 . 2]" 1
421 1 25 GLY H 1 26 GLY H . . 4.670 4.403 4.299 4.465 . 0 0 "[ . 1 . 2]" 1
422 1 25 GLY QA 1 26 GLY H . . 2.600 2.239 2.147 2.309 . 0 0 "[ . 1 . 2]" 1
423 1 25 GLY QA 1 27 CYS H . . 3.980 3.232 2.877 3.731 . 0 0 "[ . 1 . 2]" 1
424 1 25 GLY HA2 1 26 GLY H . . 3.090 2.483 2.194 2.650 . 0 0 "[ . 1 . 2]" 1
425 1 25 GLY HA2 1 27 CYS H . . 4.630 3.335 2.948 3.911 . 0 0 "[ . 1 . 2]" 1
426 1 25 GLY HA3 1 26 GLY H . . 3.090 2.588 2.365 3.044 . 0 0 "[ . 1 . 2]" 1
427 1 25 GLY HA3 1 27 CYS H . . 4.630 4.363 4.015 4.844 0.214 8 0 "[ . 1 . 2]" 1
428 1 26 GLY H 1 27 CYS H . . 2.810 2.334 1.778 2.727 . 0 0 "[ . 1 . 2]" 1
429 1 27 CYS H 1 27 CYS QB . . 2.840 2.339 2.220 2.583 . 0 0 "[ . 1 . 2]" 1
430 1 27 CYS HA 1 28 SER H . . 2.840 2.549 2.461 2.689 . 0 0 "[ . 1 . 2]" 1
431 1 27 CYS QB 1 28 SER H . . 3.360 2.057 1.959 2.185 . 0 0 "[ . 1 . 2]" 1
432 1 27 CYS QB 1 28 SER HA . . 5.160 4.216 4.112 4.324 . 0 0 "[ . 1 . 2]" 1
433 1 27 CYS QB 1 29 THR H . . 2.930 2.241 1.841 2.421 . 0 0 "[ . 1 . 2]" 1
434 1 27 CYS QB 1 30 VAL H . . 3.950 2.884 2.531 3.141 . 0 0 "[ . 1 . 2]" 1
435 1 27 CYS QB 1 30 VAL HA . . 4.130 3.328 3.169 3.568 . 0 0 "[ . 1 . 2]" 1
436 1 27 CYS QB 1 31 CYS H . . 4.770 3.798 3.419 4.151 . 0 0 "[ . 1 . 2]" 1
437 1 28 SER H 1 28 SER HB2 . . 3.640 2.875 2.444 3.761 0.121 12 0 "[ . 1 . 2]" 1
438 1 28 SER H 1 28 SER QB . . 3.050 2.541 2.374 2.862 . 0 0 "[ . 1 . 2]" 1
439 1 28 SER H 1 28 SER HB3 . . 3.640 3.270 2.546 3.723 0.083 20 0 "[ . 1 . 2]" 1
440 1 28 SER H 1 29 THR H . . 2.820 2.089 1.997 2.201 . 0 0 "[ . 1 . 2]" 1
441 1 28 SER H 1 29 THR HA . . 4.780 4.849 4.777 4.955 0.175 6 0 "[ . 1 . 2]" 1
442 1 28 SER H 1 29 THR MG . . 5.500 4.301 4.141 4.593 . 0 0 "[ . 1 . 2]" 1
443 1 28 SER H 1 30 VAL H . . 3.990 4.049 3.992 4.084 0.094 12 0 "[ . 1 . 2]" 1
444 1 28 SER HA 1 29 THR MG . . 4.700 4.459 4.274 4.600 . 0 0 "[ . 1 . 2]" 1
445 1 28 SER QB 1 29 THR H . . 3.950 3.380 3.069 3.884 . 0 0 "[ . 1 . 2]" 1
446 1 28 SER QB 1 29 THR MG . . 4.410 3.151 2.671 3.695 . 0 0 "[ . 1 . 2]" 1
447 1 28 SER HB2 1 29 THR MG . . 5.120 3.628 2.889 4.867 . 0 0 "[ . 1 . 2]" 1
448 1 28 SER HB3 1 29 THR MG . . 5.120 3.749 2.986 4.872 . 0 0 "[ . 1 . 2]" 1
449 1 29 THR H 1 29 THR HB . . 4.000 3.794 3.733 3.854 . 0 0 "[ . 1 . 2]" 1
450 1 29 THR H 1 29 THR MG . . 3.530 3.312 3.231 3.431 . 0 0 "[ . 1 . 2]" 1
451 1 29 THR H 1 30 VAL H . . 4.340 2.450 2.355 2.514 . 0 0 "[ . 1 . 2]" 1
452 1 29 THR H 1 30 VAL HB . . 5.500 5.274 5.189 5.371 . 0 0 "[ . 1 . 2]" 1
453 1 29 THR HA 1 29 THR MG . . 2.680 2.290 2.258 2.334 . 0 0 "[ . 1 . 2]" 1
454 1 29 THR HB 1 30 VAL H . . 3.300 2.935 2.823 3.110 . 0 0 "[ . 1 . 2]" 1
455 1 29 THR HB 1 30 VAL QG . . 3.520 2.897 2.670 3.224 . 0 0 "[ . 1 . 2]" 1
456 1 29 THR MG 1 30 VAL H . . 3.980 3.865 3.808 3.947 . 0 0 "[ . 1 . 2]" 1
457 1 30 VAL H 1 30 VAL MG1 . . 4.110 2.692 2.525 2.781 . 0 0 "[ . 1 . 2]" 1
458 1 30 VAL H 1 30 VAL QG . . 3.430 2.656 2.501 2.737 . 0 0 "[ . 1 . 2]" 1
459 1 30 VAL H 1 30 VAL MG2 . . 4.110 4.080 4.050 4.107 . 0 0 "[ . 1 . 2]" 1
460 1 30 VAL HA 1 30 VAL MG1 . . 3.720 3.289 3.263 3.301 . 0 0 "[ . 1 . 2]" 1
461 1 30 VAL HA 1 30 VAL QG . . 2.840 2.299 2.266 2.336 . 0 0 "[ . 1 . 2]" 1
462 1 30 VAL HA 1 30 VAL MG2 . . 3.720 2.347 2.310 2.388 . 0 0 "[ . 1 . 2]" 1
463 1 30 VAL HA 1 31 CYS H . . 2.590 2.318 2.208 2.475 . 0 0 "[ . 1 . 2]" 1
464 1 30 VAL HA 1 31 CYS QB . . 4.860 4.384 4.059 4.650 . 0 0 "[ . 1 . 2]" 1
465 1 30 VAL HB 1 31 CYS H . . 4.300 4.105 4.035 4.177 . 0 0 "[ . 1 . 2]" 1
466 1 30 VAL QG 1 31 CYS H . . 3.140 2.324 2.126 2.533 . 0 0 "[ . 1 . 2]" 1
467 1 30 VAL QG 1 32 CYS H . . 5.240 4.360 3.676 4.561 . 0 0 "[ . 1 . 2]" 1
468 1 30 VAL QG 1 32 CYS HA . . 4.530 4.052 3.529 4.340 . 0 0 "[ . 1 . 2]" 1
469 1 30 VAL QG 1 32 CYS HB2 . . 4.630 3.357 2.813 3.757 . 0 0 "[ . 1 . 2]" 1
470 1 30 VAL MG1 1 31 CYS H . . 4.130 3.726 3.443 3.984 . 0 0 "[ . 1 . 2]" 1
471 1 30 VAL MG2 1 31 CYS H . . 4.130 2.348 2.146 2.562 . 0 0 "[ . 1 . 2]" 1
472 1 31 CYS H 1 31 CYS HB2 . . 3.680 2.352 2.219 2.535 . 0 0 "[ . 1 . 2]" 1
473 1 31 CYS H 1 31 CYS QB . . 2.840 2.300 2.165 2.491 . 0 0 "[ . 1 . 2]" 1
474 1 31 CYS H 1 31 CYS HB3 . . 3.680 3.400 2.595 3.680 0.000 10 0 "[ . 1 . 2]" 1
475 1 31 CYS H 1 32 CYS H . . 4.670 4.597 4.322 4.668 . 0 0 "[ . 1 . 2]" 1
476 1 31 CYS HA 1 32 CYS H . . 2.690 2.277 2.154 2.410 . 0 0 "[ . 1 . 2]" 1
477 1 31 CYS QB 1 32 CYS H . . 3.920 2.999 2.483 3.619 . 0 0 "[ . 1 . 2]" 1
478 1 32 CYS H 1 32 CYS HB2 . . 3.060 2.974 2.684 3.109 0.049 10 0 "[ . 1 . 2]" 1
479 1 32 CYS H 1 32 CYS HB3 . . 3.260 2.958 2.529 3.266 0.006 17 0 "[ . 1 . 2]" 1
480 1 32 CYS H 1 33 ASP H . . 5.500 4.156 3.970 4.393 . 0 0 "[ . 1 . 2]" 1
481 1 32 CYS H 1 34 LEU MD2 . . 4.830 4.492 4.212 4.735 . 0 0 "[ . 1 . 2]" 1
482 1 32 CYS HA 1 33 ASP H . . 2.800 2.166 2.102 2.224 . 0 0 "[ . 1 . 2]" 1
483 1 32 CYS HA 1 34 LEU MD2 . . 5.270 4.714 4.380 4.916 . 0 0 "[ . 1 . 2]" 1
484 1 32 CYS HB2 1 33 ASP H . . 4.660 4.520 4.375 4.604 . 0 0 "[ . 1 . 2]" 1
485 1 32 CYS HB3 1 33 ASP H . . 4.510 4.193 4.020 4.395 . 0 0 "[ . 1 . 2]" 1
486 1 32 CYS HB3 1 34 LEU H . . 5.500 4.784 4.159 5.506 0.006 9 0 "[ . 1 . 2]" 1
487 1 32 CYS HB3 1 34 LEU MD2 . . 3.030 2.745 2.385 3.049 0.019 10 0 "[ . 1 . 2]" 1
488 1 33 ASP H 1 33 ASP HB2 . . 3.670 2.996 2.309 3.651 . 0 0 "[ . 1 . 2]" 1
489 1 33 ASP H 1 33 ASP QB . . 2.860 2.514 2.146 2.858 . 0 0 "[ . 1 . 2]" 1
490 1 33 ASP H 1 33 ASP HB3 . . 3.670 2.793 2.497 2.995 . 0 0 "[ . 1 . 2]" 1
491 1 33 ASP H 1 34 LEU H . . 4.480 4.254 4.029 4.508 0.028 9 0 "[ . 1 . 2]" 1
492 1 33 ASP HA 1 34 LEU H . . 2.630 2.195 2.075 2.280 . 0 0 "[ . 1 . 2]" 1
493 1 33 ASP HA 1 34 LEU MD1 . . 5.420 5.253 5.148 5.343 . 0 0 "[ . 1 . 2]" 1
494 1 33 ASP HA 1 35 SER H . . 4.180 3.550 3.369 3.822 . 0 0 "[ . 1 . 2]" 1
495 1 33 ASP QB 1 35 SER H . . 4.490 3.831 2.935 4.260 . 0 0 "[ . 1 . 2]" 1
496 1 33 ASP QB 1 36 LYS QG . . 2.690 2.587 2.296 2.789 0.099 4 0 "[ . 1 . 2]" 1
497 1 34 LEU H 1 34 LEU HB2 . . 3.230 2.606 2.531 2.706 . 0 0 "[ . 1 . 2]" 1
498 1 34 LEU H 1 34 LEU HB3 . . 3.660 3.590 3.563 3.662 0.002 9 0 "[ . 1 . 2]" 1
499 1 34 LEU H 1 34 LEU MD1 . . 3.820 3.630 3.563 3.827 0.007 9 0 "[ . 1 . 2]" 1
500 1 34 LEU H 1 34 LEU MD2 . . 3.610 3.002 2.826 3.291 . 0 0 "[ . 1 . 2]" 1
501 1 34 LEU H 1 34 LEU HG . . 2.740 2.091 1.966 2.453 . 0 0 "[ . 1 . 2]" 1
502 1 34 LEU H 1 35 SER H . . 3.730 2.696 2.249 2.901 . 0 0 "[ . 1 . 2]" 1
503 1 34 LEU HA 1 34 LEU MD2 . . 2.760 2.233 2.147 2.305 . 0 0 "[ . 1 . 2]" 1
504 1 34 LEU HA 1 34 LEU HG . . 3.350 3.327 3.242 3.388 0.038 8 0 "[ . 1 . 2]" 1
505 1 34 LEU HA 1 36 LYS H . . 4.920 3.867 3.591 4.126 . 0 0 "[ . 1 . 2]" 1
506 1 34 LEU HA 1 37 LEU H . . 4.670 3.446 3.206 3.771 . 0 0 "[ . 1 . 2]" 1
507 1 34 LEU HA 1 37 LEU HB2 . . 4.050 2.507 2.232 3.247 . 0 0 "[ . 1 . 2]" 1
508 1 34 LEU HA 1 37 LEU HB3 . . 4.050 2.981 2.248 4.088 0.038 10 0 "[ . 1 . 2]" 1
509 1 34 LEU HA 1 37 LEU QD . . 4.020 2.880 2.189 4.026 0.006 15 0 "[ . 1 . 2]" 1
510 1 34 LEU HA 1 38 THR H . . 5.500 4.513 3.612 5.461 . 0 0 "[ . 1 . 2]" 1
511 1 34 LEU HB2 1 34 LEU MD1 . . 3.030 2.352 2.322 2.377 . 0 0 "[ . 1 . 2]" 1
512 1 34 LEU HB2 1 35 SER H . . 3.410 3.064 2.669 3.402 . 0 0 "[ . 1 . 2]" 1
513 1 34 LEU HB2 1 35 SER HA . . 4.640 4.311 4.095 4.506 . 0 0 "[ . 1 . 2]" 1
514 1 34 LEU HB3 1 34 LEU MD1 . . 2.890 2.350 2.310 2.382 . 0 0 "[ . 1 . 2]" 1
515 1 34 LEU HB3 1 34 LEU MD2 . . 3.130 2.485 2.449 2.523 . 0 0 "[ . 1 . 2]" 1
516 1 34 LEU HB3 1 35 SER H . . 4.320 4.088 3.824 4.304 . 0 0 "[ . 1 . 2]" 1
517 1 34 LEU MD2 1 35 SER H . . 5.500 4.704 4.640 4.773 . 0 0 "[ . 1 . 2]" 1
518 1 34 LEU MD2 1 36 LYS H . . 5.500 5.409 5.193 5.551 0.051 2 0 "[ . 1 . 2]" 1
519 1 34 LEU HG 1 35 SER H . . 4.480 4.379 4.167 4.518 0.038 10 0 "[ . 1 . 2]" 1
520 1 35 SER H 1 35 SER QB . . 3.640 2.325 2.198 2.556 . 0 0 "[ . 1 . 2]" 1
521 1 35 SER H 1 36 LYS H . . 3.290 2.608 2.263 2.820 . 0 0 "[ . 1 . 2]" 1
522 1 35 SER H 1 36 LYS HG2 . . 5.130 4.530 3.783 5.175 0.045 11 0 "[ . 1 . 2]" 1
523 1 35 SER H 1 36 LYS HG3 . . 5.130 4.619 3.963 5.190 0.060 10 0 "[ . 1 . 2]" 1
524 1 35 SER H 1 37 LEU H . . 4.480 4.048 3.811 4.282 . 0 0 "[ . 1 . 2]" 1
525 1 35 SER QB 1 36 LYS H . . 4.420 3.260 2.766 3.898 . 0 0 "[ . 1 . 2]" 1
526 1 36 LYS H 1 36 LYS HB2 . . 3.840 3.216 2.560 3.887 0.047 3 0 "[ . 1 . 2]" 1
527 1 36 LYS H 1 36 LYS QB . . 3.180 2.830 2.518 3.171 . 0 0 "[ . 1 . 2]" 1
528 1 36 LYS H 1 36 LYS HB3 . . 3.840 3.516 2.956 3.853 0.013 4 0 "[ . 1 . 2]" 1
529 1 36 LYS H 1 36 LYS QG . . 2.800 2.496 2.006 2.838 0.038 10 0 "[ . 1 . 2]" 1
530 1 36 LYS H 1 37 LEU H . . 3.160 2.153 1.983 2.437 . 0 0 "[ . 1 . 2]" 1
531 1 36 LYS H 1 37 LEU QB . . 4.250 3.546 3.367 3.771 . 0 0 "[ . 1 . 2]" 1
532 1 36 LYS H 1 37 LEU QD . . 5.440 4.696 4.211 4.951 . 0 0 "[ . 1 . 2]" 1
533 1 36 LYS HA 1 36 LYS QG . . 3.560 2.917 2.457 3.374 . 0 0 "[ . 1 . 2]" 1
534 1 36 LYS HA 1 37 LEU H . . 3.040 3.137 3.021 3.208 0.168 10 0 "[ . 1 . 2]" 1
535 1 36 LYS QG 1 37 LEU H . . 4.580 3.895 3.118 4.462 . 0 0 "[ . 1 . 2]" 1
536 1 37 LEU H 1 37 LEU HB2 . . 3.190 2.395 2.031 2.782 . 0 0 "[ . 1 . 2]" 1
537 1 37 LEU H 1 37 LEU HB3 . . 3.190 2.763 2.477 3.273 0.083 10 0 "[ . 1 . 2]" 1
538 1 37 LEU H 1 37 LEU MD1 . . 4.460 4.193 3.864 4.457 . 0 0 "[ . 1 . 2]" 1
539 1 37 LEU H 1 37 LEU MD2 . . 4.460 4.170 3.600 4.365 . 0 0 "[ . 1 . 2]" 1
540 1 37 LEU H 1 38 THR H . . 3.200 2.406 1.961 2.706 . 0 0 "[ . 1 . 2]" 1
541 1 37 LEU H 1 38 THR MG . . 4.660 4.266 3.643 4.667 0.007 9 0 "[ . 1 . 2]" 1
542 1 37 LEU HA 1 37 LEU QB . . 2.630 2.481 2.378 2.570 . 0 0 "[ . 1 . 2]" 1
543 1 37 LEU HA 1 37 LEU MD1 . . 3.980 2.715 2.103 3.829 . 0 0 "[ . 1 . 2]" 1
544 1 37 LEU HA 1 37 LEU QD . . 2.760 2.179 1.971 2.612 . 0 0 "[ . 1 . 2]" 1
545 1 37 LEU HA 1 37 LEU MD2 . . 3.980 3.007 2.100 3.897 . 0 0 "[ . 1 . 2]" 1
546 1 37 LEU QB 1 37 LEU QD . . 2.560 1.980 1.934 2.077 . 0 0 "[ . 1 . 2]" 1
547 1 37 LEU QB 1 38 THR H . . 3.020 2.480 2.203 2.768 . 0 0 "[ . 1 . 2]" 1
548 1 37 LEU HB2 1 37 LEU MD1 . . 3.550 2.576 2.261 3.265 . 0 0 "[ . 1 . 2]" 1
549 1 37 LEU HB2 1 37 LEU MD2 . . 3.550 2.632 2.270 3.276 . 0 0 "[ . 1 . 2]" 1
550 1 37 LEU HB2 1 38 THR H . . 3.630 3.539 3.098 3.731 0.101 2 0 "[ . 1 . 2]" 1
551 1 37 LEU HB3 1 37 LEU MD1 . . 3.550 2.801 2.334 3.271 . 0 0 "[ . 1 . 2]" 1
552 1 37 LEU HB3 1 37 LEU MD2 . . 3.550 2.577 2.262 3.242 . 0 0 "[ . 1 . 2]" 1
553 1 37 LEU HB3 1 38 THR H . . 3.630 2.551 2.227 3.115 . 0 0 "[ . 1 . 2]" 1
554 1 37 LEU MD1 1 38 THR H . . 4.680 4.435 3.439 4.736 0.056 10 0 "[ . 1 . 2]" 1
555 1 37 LEU MD2 1 38 THR H . . 4.680 4.335 3.682 4.757 0.077 4 0 "[ . 1 . 2]" 1
556 1 38 THR H 1 38 THR HB . . 3.690 3.568 2.486 3.871 0.181 17 0 "[ . 1 . 2]" 1
557 1 38 THR H 1 38 THR MG . . 3.150 2.620 2.145 3.017 . 0 0 "[ . 1 . 2]" 1
558 1 38 THR H 1 39 GLY H . . 4.580 3.744 2.004 4.598 0.018 15 0 "[ . 1 . 2]" 1
559 1 38 THR HA 1 38 THR MG . . 3.390 2.508 2.149 3.290 . 0 0 "[ . 1 . 2]" 1
560 1 38 THR HA 1 39 GLY H . . 3.560 2.800 2.115 3.593 0.033 4 0 "[ . 1 . 2]" 1
561 1 38 THR HB 1 39 GLY H . . 4.080 3.015 2.166 4.092 0.012 17 0 "[ . 1 . 2]" 1
562 1 38 THR MG 1 39 GLY H . . 3.860 3.584 2.111 3.983 0.123 5 0 "[ . 1 . 2]" 1
563 1 39 GLY H 1 40 CYS H . . 4.710 4.095 2.837 4.660 . 0 0 "[ . 1 . 2]" 1
564 1 39 GLY QA 1 40 CYS H . . 3.110 2.259 2.126 2.848 . 0 0 "[ . 1 . 2]" 1
565 1 40 CYS H 1 40 CYS QB . . 2.810 2.204 1.995 2.573 . 0 0 "[ . 1 . 2]" 1
566 1 40 CYS H 1 41 LYS H . . 3.480 2.662 2.130 3.067 . 0 0 "[ . 1 . 2]" 1
567 1 40 CYS H 1 41 LYS QB . . 4.670 4.508 3.722 4.723 0.053 8 0 "[ . 1 . 2]" 1
568 1 40 CYS QB 1 41 LYS H . . 2.900 2.477 2.016 2.952 0.052 2 0 "[ . 1 . 2]" 1
569 1 40 CYS QB 1 70 CYS QB . . 4.070 3.501 2.892 4.393 0.323 13 0 "[ . 1 . 2]" 1
570 1 41 LYS H 1 41 LYS QB . . 2.980 2.522 2.079 2.979 . 0 0 "[ . 1 . 2]" 1
571 1 41 LYS H 1 41 LYS QG . . 4.000 3.476 2.285 4.091 0.091 7 0 "[ . 1 . 2]" 1
572 1 41 LYS H 1 42 GLY H . . 3.080 2.690 1.798 2.977 . 0 0 "[ . 1 . 2]" 1
573 1 41 LYS H 1 42 GLY QA . . 4.910 4.551 3.776 4.858 . 0 0 "[ . 1 . 2]" 1
574 1 41 LYS HA 1 41 LYS QG . . 3.530 2.508 2.167 3.360 . 0 0 "[ . 1 . 2]" 1
575 1 41 LYS QB 1 41 LYS QG . . 2.400 2.097 1.999 2.135 . 0 0 "[ . 1 . 2]" 1
576 1 41 LYS QB 1 42 GLY H . . 3.780 3.291 2.046 3.856 0.076 19 0 "[ . 1 . 2]" 1
577 1 41 LYS QG 1 42 GLY H . . 5.410 4.144 2.808 4.938 . 0 0 "[ . 1 . 2]" 1
578 1 42 GLY H 1 42 GLY HA2 . . 2.950 2.803 2.349 2.979 0.029 11 0 "[ . 1 . 2]" 1
579 1 42 GLY H 1 42 GLY QA . . 2.550 2.275 2.168 2.527 . 0 0 "[ . 1 . 2]" 1
580 1 42 GLY H 1 42 GLY HA3 . . 2.950 2.479 2.258 2.987 0.037 19 0 "[ . 1 . 2]" 1
581 1 42 GLY QA 1 43 LYS H . . 3.010 2.490 2.172 2.948 . 0 0 "[ . 1 . 2]" 1
582 1 42 GLY QA 1 43 LYS HB2 . . 4.510 4.340 3.670 4.542 0.032 5 0 "[ . 1 . 2]" 1
583 1 42 GLY QA 1 72 VAL QG . . 5.070 4.067 1.971 5.430 0.360 9 0 "[ . 1 . 2]" 1
584 1 42 GLY HA2 1 43 LYS H . . 3.540 3.295 2.199 3.574 0.034 12 0 "[ . 1 . 2]" 1
585 1 42 GLY HA3 1 43 LYS H . . 3.540 2.745 2.260 3.585 0.045 11 0 "[ . 1 . 2]" 1
586 1 43 LYS H 1 43 LYS HB2 . . 2.800 2.410 2.094 2.918 0.118 19 0 "[ . 1 . 2]" 1
587 1 43 LYS H 1 43 LYS HB3 . . 3.660 3.590 3.402 3.798 0.138 19 0 "[ . 1 . 2]" 1
588 1 43 LYS H 1 43 LYS HG2 . . 4.180 3.547 2.483 4.318 0.138 19 0 "[ . 1 . 2]" 1
589 1 43 LYS H 1 43 LYS QG . . 3.510 3.092 2.234 3.574 0.064 18 0 "[ . 1 . 2]" 1
590 1 43 LYS H 1 43 LYS HG3 . . 4.180 3.701 2.270 4.273 0.093 4 0 "[ . 1 . 2]" 1
591 1 43 LYS H 1 44 GLY H . . 2.640 2.434 1.814 2.778 0.138 20 0 "[ . 1 . 2]" 1
592 1 43 LYS H 1 44 GLY HA2 . . 5.410 4.750 4.104 5.140 . 0 0 "[ . 1 . 2]" 1
593 1 43 LYS H 1 44 GLY QA . . 4.600 4.373 3.832 4.655 0.055 2 0 "[ . 1 . 2]" 1
594 1 43 LYS H 1 44 GLY HA3 . . 5.410 5.119 4.595 5.414 0.004 20 0 "[ . 1 . 2]" 1
595 1 43 LYS H 1 45 GLY H . . 4.390 4.110 3.106 4.554 0.164 11 0 "[ . 1 . 2]" 1
596 1 43 LYS H 1 72 VAL QG . . 4.800 3.291 2.181 4.464 . 0 0 "[ . 1 . 2]" 1
597 1 43 LYS HA 1 43 LYS QG . . 3.590 2.473 2.168 2.854 . 0 0 "[ . 1 . 2]" 1
598 1 43 LYS HB2 1 43 LYS QG . . 2.540 2.262 2.169 2.549 0.009 11 0 "[ . 1 . 2]" 1
599 1 43 LYS HB2 1 44 GLY H . . 4.100 3.129 2.040 4.185 0.085 18 0 "[ . 1 . 2]" 1
600 1 43 LYS HB2 1 45 GLY H . . 4.180 3.674 2.721 4.264 0.084 20 0 "[ . 1 . 2]" 1
601 1 43 LYS HB2 1 45 GLY QA . . 5.150 4.699 3.739 5.187 0.037 18 0 "[ . 1 . 2]" 1
602 1 43 LYS HB2 1 72 VAL QG . . 3.200 2.395 2.084 3.574 0.374 11 0 "[ . 1 . 2]" 1
603 1 43 LYS HB3 1 43 LYS QG . . 2.640 2.398 2.147 2.515 . 0 0 "[ . 1 . 2]" 1
604 1 43 LYS HB3 1 44 GLY H . . 3.790 3.629 2.728 3.857 0.067 6 0 "[ . 1 . 2]" 1
605 1 43 LYS HB3 1 72 VAL QG . . 3.260 2.866 2.033 3.843 0.583 2 2 "[ + . 1 .- 2]" 1
606 1 43 LYS QG 1 72 VAL QG . . 4.010 2.991 2.260 3.854 . 0 0 "[ . 1 . 2]" 1
607 1 44 GLY H 1 44 GLY QA . . 2.550 2.361 2.216 2.508 . 0 0 "[ . 1 . 2]" 1
608 1 44 GLY H 1 45 GLY H . . 3.110 2.363 1.794 2.988 . 0 0 "[ . 1 . 2]" 1
609 1 44 GLY H 1 45 GLY QA . . 4.550 3.987 3.595 4.578 0.028 11 0 "[ . 1 . 2]" 1
610 1 44 GLY H 1 72 VAL MG1 . . 4.660 4.278 3.234 4.728 0.068 1 0 "[ . 1 . 2]" 1
611 1 44 GLY H 1 72 VAL QG . . 3.970 3.353 2.484 4.161 0.191 19 0 "[ . 1 . 2]" 1
612 1 44 GLY H 1 72 VAL MG2 . . 4.660 3.661 2.518 4.685 0.025 19 0 "[ . 1 . 2]" 1
613 1 44 GLY QA 1 72 VAL QG . . 5.090 4.176 3.452 5.019 . 0 0 "[ . 1 . 2]" 1
614 1 45 GLY H 1 45 GLY QA . . 2.560 2.220 2.147 2.402 . 0 0 "[ . 1 . 2]" 1
615 1 45 GLY H 1 72 VAL MG1 . . 5.340 4.033 2.549 4.880 . 0 0 "[ . 1 . 2]" 1
616 1 45 GLY H 1 72 VAL QG . . 4.170 2.724 2.074 3.656 . 0 0 "[ . 1 . 2]" 1
617 1 45 GLY H 1 72 VAL MG2 . . 5.340 2.829 2.086 3.968 . 0 0 "[ . 1 . 2]" 1
618 1 45 GLY QA 1 46 GLU H . . 2.560 2.226 2.139 2.272 . 0 0 "[ . 1 . 2]" 1
619 1 45 GLY QA 1 72 VAL HA . . 4.430 3.826 2.294 4.525 0.095 10 0 "[ . 1 . 2]" 1
620 1 45 GLY QA 1 72 VAL QG . . 3.350 2.297 1.879 3.020 . 0 0 "[ . 1 . 2]" 1
621 1 45 GLY HA2 1 46 GLU H . . 3.200 2.498 2.189 3.229 0.029 11 0 "[ . 1 . 2]" 1
622 1 45 GLY HA2 1 72 VAL MG1 . . 5.630 3.951 3.262 4.880 . 0 0 "[ . 1 . 2]" 1
623 1 45 GLY HA2 1 72 VAL MG2 . . 5.630 2.713 1.958 3.645 . 0 0 "[ . 1 . 2]" 1
624 1 45 GLY HA3 1 46 GLU H . . 3.200 2.672 2.171 3.459 0.259 13 0 "[ . 1 . 2]" 1
625 1 45 GLY HA3 1 72 VAL MG1 . . 5.630 4.307 2.360 5.528 . 0 0 "[ . 1 . 2]" 1
626 1 45 GLY HA3 1 72 VAL MG2 . . 5.630 3.152 2.002 4.913 . 0 0 "[ . 1 . 2]" 1
627 1 46 GLU H 1 46 GLU QB . . 3.000 2.765 2.124 3.085 0.085 2 0 "[ . 1 . 2]" 1
628 1 46 GLU H 1 46 GLU QG . . 4.540 3.152 2.065 4.314 . 0 0 "[ . 1 . 2]" 1
629 1 46 GLU H 1 47 CYS H . . 4.730 4.450 4.135 4.666 . 0 0 "[ . 1 . 2]" 1
630 1 46 GLU H 1 71 CYS QB . . 4.340 4.129 3.240 4.507 0.167 20 0 "[ . 1 . 2]" 1
631 1 46 GLU H 1 72 VAL MG1 . . 5.500 5.211 3.893 5.608 0.108 19 0 "[ . 1 . 2]" 1
632 1 46 GLU H 1 72 VAL QG . . 4.690 3.762 2.304 4.568 . 0 0 "[ . 1 . 2]" 1
633 1 46 GLU H 1 72 VAL MG2 . . 5.500 3.934 2.321 5.457 . 0 0 "[ . 1 . 2]" 1
634 1 46 GLU HA 1 46 GLU QG . . 3.460 3.174 2.484 3.527 0.067 17 0 "[ . 1 . 2]" 1
635 1 46 GLU HA 1 47 CYS H . . 2.620 2.356 2.098 2.619 . 0 0 "[ . 1 . 2]" 1
636 1 46 GLU HA 1 47 CYS QB . . 5.060 4.105 3.630 4.581 . 0 0 "[ . 1 . 2]" 1
637 1 46 GLU QB 1 47 CYS H . . 3.690 2.840 2.172 3.731 0.041 1 0 "[ . 1 . 2]" 1
638 1 46 GLU QB 1 48 ASN H . . 5.340 4.202 2.726 5.346 0.006 1 0 "[ . 1 . 2]" 1
639 1 46 GLU QB 1 48 ASN QD . . 3.600 3.146 2.289 3.673 0.073 1 0 "[ . 1 . 2]" 1
640 1 46 GLU HB2 1 47 CYS H . . 4.210 3.077 2.189 4.276 0.066 8 0 "[ . 1 . 2]" 1
641 1 46 GLU HB2 1 48 ASN HD21 . . 5.290 4.495 3.071 5.330 0.040 16 0 "[ . 1 . 2]" 1
642 1 46 GLU HB2 1 48 ASN HD22 . . 5.290 3.976 2.783 5.371 0.081 14 0 "[ . 1 . 2]" 1
643 1 46 GLU HB3 1 47 CYS H . . 4.210 3.836 3.663 4.229 0.019 1 0 "[ . 1 . 2]" 1
644 1 46 GLU HB3 1 48 ASN HD21 . . 5.290 4.577 2.918 5.380 0.090 5 0 "[ . 1 . 2]" 1
645 1 46 GLU HB3 1 48 ASN HD22 . . 5.290 4.231 2.411 5.342 0.052 10 0 "[ . 1 . 2]" 1
646 1 46 GLU QG 1 47 CYS H . . 3.600 3.038 2.327 3.643 0.043 7 0 "[ . 1 . 2]" 1
647 1 46 GLU QG 1 48 ASN QB . . 3.180 2.946 2.255 3.274 0.094 14 0 "[ . 1 . 2]" 1
648 1 46 GLU QG 1 48 ASN QD . . 3.800 2.317 1.735 3.543 . 0 0 "[ . 1 . 2]" 1
649 1 47 CYS H 1 47 CYS HB2 . . 3.640 2.562 2.253 3.049 . 0 0 "[ . 1 . 2]" 1
650 1 47 CYS H 1 47 CYS QB . . 2.790 2.334 2.142 2.592 . 0 0 "[ . 1 . 2]" 1
651 1 47 CYS H 1 47 CYS HB3 . . 3.640 3.022 2.348 3.683 0.043 17 0 "[ . 1 . 2]" 1
652 1 47 CYS H 1 48 ASN H . . 4.780 3.564 2.409 4.440 . 0 0 "[ . 1 . 2]" 1
653 1 47 CYS HA 1 48 ASN H . . 3.300 2.554 2.055 3.482 0.182 4 0 "[ . 1 . 2]" 1
654 1 47 CYS QB 1 48 ASN H . . 4.230 3.690 2.600 4.027 . 0 0 "[ . 1 . 2]" 1
655 1 47 CYS QB 1 48 ASN QD . . 4.520 4.508 4.259 4.610 0.090 2 0 "[ . 1 . 2]" 1
656 1 48 ASN H 1 48 ASN QB . . 3.000 2.445 2.030 3.072 0.072 20 0 "[ . 1 . 2]" 1
657 1 48 ASN H 1 48 ASN QD . . 3.910 2.764 1.764 3.651 . 0 0 "[ . 1 . 2]" 1
658 1 48 ASN H 1 49 PRO HD2 . . 5.500 4.824 4.751 4.883 . 0 0 "[ . 1 . 2]" 1
659 1 48 ASN H 1 49 PRO HD3 . . 5.500 5.075 4.865 5.230 . 0 0 "[ . 1 . 2]" 1
660 1 48 ASN HA 1 48 ASN QD . . 4.120 2.785 1.918 3.853 . 0 0 "[ . 1 . 2]" 1
661 1 48 ASN HA 1 49 PRO HD2 . . 3.320 2.578 2.497 2.678 . 0 0 "[ . 1 . 2]" 1
662 1 48 ASN HA 1 49 PRO HD3 . . 3.240 2.417 2.301 2.605 . 0 0 "[ . 1 . 2]" 1
663 1 48 ASN HA 1 49 PRO HG2 . . 4.650 4.683 4.649 4.750 0.100 4 0 "[ . 1 . 2]" 1
664 1 48 ASN QB 1 48 ASN QD . . 2.980 2.624 2.239 2.897 . 0 0 "[ . 1 . 2]" 1
665 1 48 ASN QB 1 49 PRO HD2 . . 2.880 2.159 2.096 2.262 . 0 0 "[ . 1 . 2]" 1
666 1 48 ASN QB 1 49 PRO HD3 . . 3.560 3.474 3.380 3.579 0.019 15 0 "[ . 1 . 2]" 1
667 1 48 ASN QB 1 49 PRO HG2 . . 4.090 3.849 3.610 4.092 0.002 13 0 "[ . 1 . 2]" 1
668 1 48 ASN QB 1 52 ARG H . . 4.970 4.676 4.330 5.000 0.030 20 0 "[ . 1 . 2]" 1
669 1 48 ASN QB 1 52 ARG HB2 . . 3.550 3.071 2.410 3.613 0.063 1 0 "[ . 1 . 2]" 1
670 1 48 ASN QB 1 52 ARG HB3 . . 3.520 3.301 2.616 3.568 0.048 5 0 "[ . 1 . 2]" 1
671 1 48 ASN QB 1 52 ARG QG . . 4.620 3.156 2.164 4.627 0.007 12 0 "[ . 1 . 2]" 1
672 1 48 ASN HB2 1 49 PRO HD2 . . 3.610 3.242 2.127 3.743 0.133 12 0 "[ . 1 . 2]" 1
673 1 48 ASN HB3 1 49 PRO HD2 . . 3.610 2.570 2.108 3.625 0.015 8 0 "[ . 1 . 2]" 1
674 1 49 PRO HA 1 50 LEU H . . 2.890 2.339 2.225 2.398 . 0 0 "[ . 1 . 2]" 1
675 1 49 PRO HA 1 51 ASP H . . 5.250 4.004 3.771 4.194 . 0 0 "[ . 1 . 2]" 1
676 1 49 PRO QB 1 50 LEU H . . 3.890 2.708 2.517 2.969 . 0 0 "[ . 1 . 2]" 1
677 1 49 PRO QB 1 51 ASP H . . 4.180 2.211 2.027 2.426 . 0 0 "[ . 1 . 2]" 1
678 1 49 PRO HD2 1 52 ARG HB2 . . 3.850 3.045 2.742 3.295 . 0 0 "[ . 1 . 2]" 1
679 1 49 PRO HD2 1 52 ARG QG . . 5.340 4.093 2.763 4.859 . 0 0 "[ . 1 . 2]" 1
680 1 49 PRO HD3 1 52 ARG HB2 . . 4.710 4.604 4.351 4.759 0.049 4 0 "[ . 1 . 2]" 1
681 1 49 PRO HG2 1 50 LEU H . . 4.680 4.560 4.395 4.709 0.029 19 0 "[ . 1 . 2]" 1
682 1 49 PRO HG2 1 51 ASP H . . 4.900 3.476 3.203 3.802 . 0 0 "[ . 1 . 2]" 1
683 1 49 PRO HG2 1 52 ARG H . . 4.030 2.872 2.423 3.331 . 0 0 "[ . 1 . 2]" 1
684 1 50 LEU H 1 50 LEU QB . . 3.120 2.313 2.169 2.464 . 0 0 "[ . 1 . 2]" 1
685 1 50 LEU H 1 50 LEU MD1 . . 4.350 3.482 3.158 3.651 . 0 0 "[ . 1 . 2]" 1
686 1 50 LEU H 1 50 LEU QD . . 3.810 3.162 3.046 3.303 . 0 0 "[ . 1 . 2]" 1
687 1 50 LEU H 1 50 LEU MD2 . . 4.350 3.660 3.283 3.998 . 0 0 "[ . 1 . 2]" 1
688 1 50 LEU H 1 50 LEU HG . . 3.450 2.444 2.189 2.669 . 0 0 "[ . 1 . 2]" 1
689 1 50 LEU H 1 51 ASP H . . 3.290 2.677 2.559 2.802 . 0 0 "[ . 1 . 2]" 1
690 1 50 LEU HA 1 50 LEU MD1 . . 4.150 3.879 3.812 3.917 . 0 0 "[ . 1 . 2]" 1
691 1 50 LEU HA 1 50 LEU QD . . 3.030 2.142 2.091 2.305 . 0 0 "[ . 1 . 2]" 1
692 1 50 LEU HA 1 50 LEU MD2 . . 4.150 2.153 2.100 2.324 . 0 0 "[ . 1 . 2]" 1
693 1 50 LEU HA 1 50 LEU HG . . 2.930 2.911 2.474 3.073 0.143 12 0 "[ . 1 . 2]" 1
694 1 50 LEU HA 1 52 ARG H . . 4.390 3.816 3.623 4.113 . 0 0 "[ . 1 . 2]" 1
695 1 50 LEU HA 1 69 LYS H . . 5.500 4.890 4.214 5.561 0.061 1 0 "[ . 1 . 2]" 1
696 1 50 LEU HA 1 69 LYS HG2 . . 4.280 2.890 2.233 4.477 0.197 20 0 "[ . 1 . 2]" 1
697 1 50 LEU HA 1 69 LYS QG . . 3.560 2.732 2.219 3.569 0.009 4 0 "[ . 1 . 2]" 1
698 1 50 LEU HA 1 69 LYS HG3 . . 4.280 3.926 2.638 4.489 0.209 4 0 "[ . 1 . 2]" 1
699 1 50 LEU QB 1 50 LEU QD . . 2.830 1.948 1.927 1.972 . 0 0 "[ . 1 . 2]" 1
700 1 50 LEU QB 1 51 ASP H . . 3.660 3.009 2.608 3.189 . 0 0 "[ . 1 . 2]" 1
701 1 50 LEU QD 1 51 ASP H . . 4.990 4.358 4.141 4.425 . 0 0 "[ . 1 . 2]" 1
702 1 50 LEU QD 1 67 GLY H . . 3.960 2.946 2.139 3.760 . 0 0 "[ . 1 . 2]" 1
703 1 50 LEU QD 1 67 GLY QA . . 3.120 2.548 1.915 3.581 0.461 1 0 "[ . 1 . 2]" 1
704 1 50 LEU QD 1 68 GLN H . . 3.860 3.367 2.519 4.182 0.322 17 0 "[ . 1 . 2]" 1
705 1 50 LEU QD 1 68 GLN HA . . 4.300 3.883 2.724 5.000 0.700 12 2 "[- . 1 + . 2]" 1
706 1 50 LEU QD 1 68 GLN QG . . 4.750 4.396 2.028 5.370 0.620 17 2 "[ . - 1 . + 2]" 1
707 1 50 LEU QD 1 69 LYS H . . 4.300 3.962 2.830 4.609 0.309 6 0 "[ . 1 . 2]" 1
708 1 50 LEU QD 1 69 LYS HA . . 4.250 4.090 3.409 5.003 0.753 4 3 "[ +. * 1 . - 2]" 1
709 1 50 LEU QD 1 69 LYS QB . . 3.020 2.624 2.153 3.959 0.939 1 2 "[+ . - 1 . 2]" 1
710 1 50 LEU MD1 1 67 GLY H . . 5.050 3.084 2.144 3.959 . 0 0 "[ . 1 . 2]" 1
711 1 50 LEU MD1 1 68 GLN H . . 4.630 3.934 3.118 4.756 0.126 10 0 "[ . 1 . 2]" 1
712 1 50 LEU MD2 1 67 GLY H . . 5.050 4.072 3.136 5.029 . 0 0 "[ . 1 . 2]" 1
713 1 50 LEU MD2 1 68 GLN H . . 4.630 3.798 2.660 4.658 0.028 17 0 "[ . 1 . 2]" 1
714 1 50 LEU HG 1 51 ASP H . . 4.700 4.699 4.513 4.770 0.070 16 0 "[ . 1 . 2]" 1
715 1 50 LEU HG 1 66 LYS HA . . 5.200 5.210 4.791 5.375 0.175 10 0 "[ . 1 . 2]" 1
716 1 50 LEU HG 1 67 GLY H . . 4.190 3.716 3.173 4.415 0.225 10 0 "[ . 1 . 2]" 1
717 1 50 LEU HG 1 67 GLY QA . . 4.730 2.734 1.980 3.920 . 0 0 "[ . 1 . 2]" 1
718 1 50 LEU HG 1 69 LYS H . . 5.500 4.911 4.281 5.632 0.132 10 0 "[ . 1 . 2]" 1
719 1 51 ASP H 1 51 ASP HB2 . . 3.720 2.440 2.316 2.649 . 0 0 "[ . 1 . 2]" 1
720 1 51 ASP H 1 51 ASP QB . . 3.010 2.313 2.157 2.455 . 0 0 "[ . 1 . 2]" 1
721 1 51 ASP H 1 51 ASP HB3 . . 3.720 3.170 2.339 3.621 . 0 0 "[ . 1 . 2]" 1
722 1 51 ASP H 1 52 ARG H . . 3.470 2.632 2.556 2.833 . 0 0 "[ . 1 . 2]" 1
723 1 51 ASP H 1 52 ARG HA . . 5.180 5.175 4.829 5.268 0.088 9 0 "[ . 1 . 2]" 1
724 1 51 ASP QB 1 52 ARG H . . 4.310 3.065 2.621 3.659 . 0 0 "[ . 1 . 2]" 1
725 1 51 ASP HB2 1 52 ARG H . . 5.110 3.514 2.874 4.502 . 0 0 "[ . 1 . 2]" 1
726 1 51 ASP HB3 1 52 ARG H . . 5.110 3.755 2.659 4.294 . 0 0 "[ . 1 . 2]" 1
727 1 52 ARG H 1 52 ARG HB2 . . 3.200 2.299 2.076 2.530 . 0 0 "[ . 1 . 2]" 1
728 1 52 ARG H 1 52 ARG HB3 . . 3.100 2.760 2.381 3.100 0.000 19 0 "[ . 1 . 2]" 1
729 1 52 ARG H 1 52 ARG QG . . 4.570 3.978 3.638 4.078 . 0 0 "[ . 1 . 2]" 1
730 1 52 ARG H 1 53 GLN H . . 4.830 4.240 2.658 4.675 . 0 0 "[ . 1 . 2]" 1
731 1 52 ARG HA 1 52 ARG HB2 . . 2.810 2.655 2.445 2.829 0.019 19 0 "[ . 1 . 2]" 1
732 1 52 ARG HA 1 52 ARG QG . . 3.440 2.549 2.148 3.133 . 0 0 "[ . 1 . 2]" 1
733 1 52 ARG HA 1 53 GLN H . . 3.570 2.460 2.057 3.516 . 0 0 "[ . 1 . 2]" 1
734 1 52 ARG HB3 1 53 GLN H . . 3.980 3.657 2.878 4.108 0.128 1 0 "[ . 1 . 2]" 1
735 1 52 ARG QG 1 53 GLN H . . 4.140 3.015 2.090 4.319 0.179 20 0 "[ . 1 . 2]" 1
736 1 53 GLN H 1 53 GLN QB . . 2.950 2.480 2.045 2.952 0.002 17 0 "[ . 1 . 2]" 1
737 1 53 GLN H 1 53 GLN QG . . 3.940 3.023 2.303 3.983 0.043 6 0 "[ . 1 . 2]" 1
738 1 53 GLN H 1 54 CYS H . . 4.610 3.853 2.685 4.471 . 0 0 "[ . 1 . 2]" 1
739 1 53 GLN HA 1 53 GLN QG . . 2.570 2.376 2.284 2.638 0.068 8 0 "[ . 1 . 2]" 1
740 1 53 GLN QB 1 53 GLN QG . . 2.350 2.091 2.004 2.136 . 0 0 "[ . 1 . 2]" 1
741 1 53 GLN QB 1 54 CYS H . . 3.520 3.548 3.317 3.700 0.180 9 0 "[ . 1 . 2]" 1
742 1 53 GLN QG 1 54 CYS H . . 5.030 4.292 2.748 4.972 . 0 0 "[ . 1 . 2]" 1
743 1 54 CYS H 1 55 LYS H . . 4.590 4.239 2.952 4.638 0.048 6 0 "[ . 1 . 2]" 1
744 1 54 CYS QB 1 55 LYS H . . 2.780 2.588 1.909 2.952 0.172 18 0 "[ . 1 . 2]" 1
745 1 54 CYS QB 1 71 CYS HB2 . . 4.180 3.171 2.156 4.741 0.561 19 2 "[ . 1 .- +2]" 1
746 1 55 LYS H 1 55 LYS HB2 . . 3.090 2.735 2.109 3.189 0.099 8 0 "[ . 1 . 2]" 1
747 1 55 LYS H 1 55 LYS QB . . 2.650 2.404 2.050 2.708 0.058 6 0 "[ . 1 . 2]" 1
748 1 55 LYS H 1 55 LYS HB3 . . 3.090 2.742 2.330 2.993 . 0 0 "[ . 1 . 2]" 1
749 1 55 LYS H 1 55 LYS HG2 . . 4.910 4.621 4.353 5.010 0.100 20 0 "[ . 1 . 2]" 1
750 1 55 LYS H 1 55 LYS QG . . 4.270 4.080 3.914 4.293 0.023 15 0 "[ . 1 . 2]" 1
751 1 55 LYS H 1 55 LYS HG3 . . 4.910 4.559 4.246 4.805 . 0 0 "[ . 1 . 2]" 1
752 1 55 LYS HA 1 55 LYS QB . . 2.510 2.436 2.321 2.533 0.023 12 0 "[ . 1 . 2]" 1
753 1 55 LYS HA 1 55 LYS QG . . 3.000 2.441 2.242 2.692 . 0 0 "[ . 1 . 2]" 1
754 1 55 LYS HA 1 56 GLU H . . 2.400 2.302 2.086 2.473 0.073 19 0 "[ . 1 . 2]" 1
755 1 55 LYS HA 1 56 GLU QB . . 4.920 4.075 3.755 4.403 . 0 0 "[ . 1 . 2]" 1
756 1 55 LYS QG 1 56 GLU H . . 3.840 2.486 1.816 3.625 . 0 0 "[ . 1 . 2]" 1
757 1 55 LYS HG2 1 56 GLU H . . 4.570 3.170 1.927 4.641 0.071 18 0 "[ . 1 . 2]" 1
758 1 55 LYS HG3 1 56 GLU H . . 4.570 2.885 1.825 4.263 . 0 0 "[ . 1 . 2]" 1
759 1 56 GLU H 1 56 GLU QB . . 3.110 2.651 2.284 3.151 0.041 15 0 "[ . 1 . 2]" 1
760 1 56 GLU H 1 56 GLU QG . . 4.760 3.916 2.627 4.515 . 0 0 "[ . 1 . 2]" 1
761 1 56 GLU HA 1 56 GLU QG . . 3.340 2.642 2.219 3.468 0.128 5 0 "[ . 1 . 2]" 1
762 1 56 GLU HA 1 57 LEU H . . 3.020 2.323 2.089 2.737 . 0 0 "[ . 1 . 2]" 1
763 1 56 GLU QB 1 56 GLU QG . . 2.350 2.065 1.997 2.125 . 0 0 "[ . 1 . 2]" 1
764 1 56 GLU QB 1 57 LEU H . . 3.590 3.134 2.247 3.713 0.123 11 0 "[ . 1 . 2]" 1
765 1 56 GLU QB 1 70 CYS H . . 5.340 4.177 2.716 5.392 0.052 1 0 "[ . 1 . 2]" 1
766 1 56 GLU QG 1 57 LEU H . . 3.800 2.631 1.644 3.875 0.075 4 0 "[ . 1 . 2]" 1
767 1 56 GLU QG 1 70 CYS H . . 4.690 4.014 2.032 4.772 0.082 15 0 "[ . 1 . 2]" 1
768 1 57 LEU H 1 57 LEU QB . . 2.970 2.802 2.252 3.099 0.129 7 0 "[ . 1 . 2]" 1
769 1 57 LEU H 1 57 LEU QD . . 4.280 3.047 1.883 4.096 . 0 0 "[ . 1 . 2]" 1
770 1 57 LEU H 1 57 LEU HG . . 4.310 2.837 2.153 4.378 0.068 1 0 "[ . 1 . 2]" 1
771 1 57 LEU HA 1 57 LEU QD . . 3.060 3.012 2.138 3.494 0.434 4 0 "[ . 1 . 2]" 1
772 1 57 LEU HA 1 57 LEU HG . . 3.890 3.566 3.074 3.810 . 0 0 "[ . 1 . 2]" 1
773 1 57 LEU HA 1 58 GLN H . . 2.910 2.310 2.097 3.001 0.091 14 0 "[ . 1 . 2]" 1
774 1 57 LEU HA 1 59 ALA H . . 5.300 3.834 3.165 4.582 . 0 0 "[ . 1 . 2]" 1
775 1 57 LEU HA 1 59 ALA MB . . 4.870 4.762 4.278 4.998 0.128 10 0 "[ . 1 . 2]" 1
776 1 57 LEU QB 1 57 LEU HG . . 2.550 2.441 2.297 2.577 0.027 14 0 "[ . 1 . 2]" 1
777 1 57 LEU QB 1 70 CYS QB . . 4.530 3.774 2.026 4.729 0.199 18 0 "[ . 1 . 2]" 1
778 1 57 LEU QD 1 58 GLN H . . 4.440 3.605 2.573 4.479 0.039 9 0 "[ . 1 . 2]" 1
779 1 57 LEU QD 1 58 GLN HA . . 5.280 4.499 3.160 5.505 0.225 16 0 "[ . 1 . 2]" 1
780 1 57 LEU QD 1 59 ALA H . . 4.350 2.892 1.852 3.963 . 0 0 "[ . 1 . 2]" 1
781 1 57 LEU QD 1 59 ALA MB . . 3.270 2.504 1.908 3.508 0.238 12 0 "[ . 1 . 2]" 1
782 1 57 LEU QD 1 60 GLU H . . 4.440 2.760 1.722 4.116 . 0 0 "[ . 1 . 2]" 1
783 1 57 LEU QD 1 60 GLU QG . . 3.340 2.719 2.091 4.030 0.690 1 1 "[+ . 1 . 2]" 1
784 1 57 LEU QD 1 61 SER H . . 4.610 3.264 1.780 4.773 0.163 13 0 "[ . 1 . 2]" 1
785 1 57 LEU QD 1 62 ALA H . . 5.440 5.187 3.851 6.560 1.120 13 3 "[ . 1* + .- 2]" 1
786 1 57 LEU QD 1 70 CYS QB . . 4.610 2.571 1.972 3.216 . 0 0 "[ . 1 . 2]" 1
787 1 57 LEU HG 1 70 CYS H . . 5.290 4.452 3.252 5.323 0.033 1 0 "[ . 1 . 2]" 1
788 1 57 LEU HG 1 70 CYS QB . . 3.070 2.857 2.211 3.254 0.184 15 0 "[ . 1 . 2]" 1
789 1 58 GLN H 1 58 GLN QB . . 2.710 2.519 2.093 2.833 0.123 20 0 "[ . 1 . 2]" 1
790 1 58 GLN H 1 59 ALA H . . 3.130 2.590 2.035 2.969 . 0 0 "[ . 1 . 2]" 1
791 1 58 GLN H 1 59 ALA MB . . 4.400 4.149 3.544 4.517 0.117 14 0 "[ . 1 . 2]" 1
792 1 58 GLN HA 1 61 SER H . . 4.810 3.993 2.955 4.772 . 0 0 "[ . 1 . 2]" 1
793 1 58 GLN HA 1 62 ALA MB . . 4.000 3.386 2.145 4.082 0.082 6 0 "[ . 1 . 2]" 1
794 1 58 GLN QB 1 62 ALA MB . . 3.910 3.666 2.838 3.966 0.056 16 0 "[ . 1 . 2]" 1
795 1 58 GLN HB2 1 59 ALA H . . 4.380 4.045 3.139 4.450 0.070 19 0 "[ . 1 . 2]" 1
796 1 58 GLN HB3 1 59 ALA H . . 4.380 4.212 3.238 4.497 0.117 14 0 "[ . 1 . 2]" 1
797 1 59 ALA H 1 59 ALA MB . . 2.460 2.203 2.142 2.355 . 0 0 "[ . 1 . 2]" 1
798 1 59 ALA H 1 60 GLU H . . 2.950 2.789 2.485 3.017 0.067 2 0 "[ . 1 . 2]" 1
799 1 59 ALA MB 1 60 GLU H . . 3.650 2.576 1.964 3.253 . 0 0 "[ . 1 . 2]" 1
800 1 59 ALA MB 1 60 GLU QG . . 3.070 2.710 2.372 3.086 0.016 14 0 "[ . 1 . 2]" 1
801 1 59 ALA MB 1 61 SER H . . 5.480 4.326 3.569 4.917 . 0 0 "[ . 1 . 2]" 1
802 1 60 GLU H 1 60 GLU QG . . 3.120 2.686 2.066 3.136 0.016 11 0 "[ . 1 . 2]" 1
803 1 60 GLU H 1 61 SER H . . 2.780 2.202 1.792 2.663 . 0 0 "[ . 1 . 2]" 1
804 1 60 GLU H 1 62 ALA H . . 4.830 3.785 2.989 4.487 . 0 0 "[ . 1 . 2]" 1
805 1 60 GLU HA 1 60 GLU HG2 . . 3.540 2.591 2.431 3.025 . 0 0 "[ . 1 . 2]" 1
806 1 60 GLU HA 1 60 GLU QG . . 2.840 2.509 2.364 2.887 0.047 5 0 "[ . 1 . 2]" 1
807 1 60 GLU HA 1 60 GLU HG3 . . 3.540 3.373 2.998 3.689 0.149 3 0 "[ . 1 . 2]" 1
808 1 60 GLU HA 1 62 ALA H . . 5.010 4.036 3.312 4.462 . 0 0 "[ . 1 . 2]" 1
809 1 60 GLU HA 1 63 SER H . . 4.710 4.286 3.263 4.801 0.091 12 0 "[ . 1 . 2]" 1
810 1 60 GLU QB 1 60 GLU QG . . 2.310 2.086 2.003 2.124 . 0 0 "[ . 1 . 2]" 1
811 1 60 GLU QG 1 61 SER H . . 4.100 4.073 3.961 4.215 0.115 18 0 "[ . 1 . 2]" 1
812 1 60 GLU HG2 1 61 SER H . . 4.850 4.785 4.370 4.942 0.092 9 0 "[ . 1 . 2]" 1
813 1 60 GLU HG3 1 61 SER H . . 4.850 4.475 4.181 4.917 0.067 18 0 "[ . 1 . 2]" 1
814 1 61 SER H 1 61 SER QB . . 3.450 2.361 2.141 2.640 . 0 0 "[ . 1 . 2]" 1
815 1 61 SER H 1 62 ALA H . . 3.030 2.767 2.518 3.193 0.163 10 0 "[ . 1 . 2]" 1
816 1 61 SER H 1 62 ALA MB . . 5.390 4.293 4.022 4.486 . 0 0 "[ . 1 . 2]" 1
817 1 61 SER H 1 70 CYS H . . 5.500 4.409 3.476 5.157 . 0 0 "[ . 1 . 2]" 1
818 1 61 SER H 1 70 CYS QB . . 5.010 3.530 2.677 4.954 . 0 0 "[ . 1 . 2]" 1
819 1 61 SER HA 1 70 CYS H . . 4.420 4.100 1.859 4.665 0.245 1 0 "[ . 1 . 2]" 1
820 1 61 SER QB 1 62 ALA H . . 4.030 3.402 2.717 4.020 . 0 0 "[ . 1 . 2]" 1
821 1 61 SER QB 1 69 LYS HA . . 3.950 2.582 1.972 3.535 . 0 0 "[ . 1 . 2]" 1
822 1 61 SER QB 1 70 CYS H . . 3.340 2.346 2.145 2.883 . 0 0 "[ . 1 . 2]" 1
823 1 61 SER QB 1 70 CYS QB . . 3.390 2.668 2.058 3.427 0.037 17 0 "[ . 1 . 2]" 1
824 1 62 ALA H 1 62 ALA MB . . 2.400 2.199 2.118 2.432 0.032 10 0 "[ . 1 . 2]" 1
825 1 62 ALA H 1 63 SER H . . 3.440 2.707 1.894 3.067 . 0 0 "[ . 1 . 2]" 1
826 1 62 ALA H 1 64 CYS H . . 5.140 4.698 4.035 5.224 0.084 10 0 "[ . 1 . 2]" 1
827 1 62 ALA HA 1 64 CYS H . . 5.380 4.219 3.450 4.932 . 0 0 "[ . 1 . 2]" 1
828 1 62 ALA MB 1 63 SER H . . 3.200 3.148 2.762 3.268 0.068 8 0 "[ . 1 . 2]" 1
829 1 62 ALA MB 1 64 CYS H . . 5.500 4.847 4.417 5.366 . 0 0 "[ . 1 . 2]" 1
830 1 63 SER H 1 63 SER HB2 . . 3.750 2.627 2.268 3.812 0.062 1 0 "[ . 1 . 2]" 1
831 1 63 SER H 1 63 SER QB . . 3.120 2.408 2.099 3.017 . 0 0 "[ . 1 . 2]" 1
832 1 63 SER H 1 63 SER HB3 . . 3.750 3.089 2.476 3.803 0.053 15 0 "[ . 1 . 2]" 1
833 1 64 CYS H 1 64 CYS HB2 . . 3.670 2.321 2.086 3.342 . 0 0 "[ . 1 . 2]" 1
834 1 64 CYS H 1 64 CYS QB . . 2.980 2.264 2.067 2.915 . 0 0 "[ . 1 . 2]" 1
835 1 64 CYS H 1 64 CYS HB3 . . 3.670 3.377 2.809 3.620 . 0 0 "[ . 1 . 2]" 1
836 1 64 CYS H 1 65 GLY H . . 3.070 2.598 1.925 3.103 0.033 4 0 "[ . 1 . 2]" 1
837 1 64 CYS H 1 65 GLY QA . . 5.340 4.430 3.815 4.814 . 0 0 "[ . 1 . 2]" 1
838 1 64 CYS QB 1 65 GLY H . . 3.460 2.977 2.083 3.389 . 0 0 "[ . 1 . 2]" 1
839 1 64 CYS QB 1 68 GLN H . . 4.300 3.935 1.831 4.411 0.111 12 0 "[ . 1 . 2]" 1
840 1 64 CYS QB 1 68 GLN QB . . 2.990 2.488 1.814 3.113 0.123 2 0 "[ . 1 . 2]" 1
841 1 64 CYS QB 1 68 GLN QG . . 4.030 2.581 1.856 4.256 0.226 1 0 "[ . 1 . 2]" 1
842 1 64 CYS QB 1 69 LYS H . . 5.340 4.672 3.160 5.467 0.127 12 0 "[ . 1 . 2]" 1
843 1 64 CYS HB2 1 65 GLY H . . 3.960 3.345 2.194 4.012 0.052 20 0 "[ . 1 . 2]" 1
844 1 64 CYS HB2 1 68 GLN H . . 4.930 4.773 1.986 5.060 0.130 18 0 "[ . 1 . 2]" 1
845 1 64 CYS HB3 1 65 GLY H . . 3.960 3.516 2.504 4.056 0.096 2 0 "[ . 1 . 2]" 1
846 1 64 CYS HB3 1 68 GLN H . . 4.930 4.250 2.146 4.933 0.003 19 0 "[ . 1 . 2]" 1
847 1 65 GLY H 1 65 GLY QA . . 2.570 2.278 2.185 2.501 . 0 0 "[ . 1 . 2]" 1
848 1 65 GLY H 1 66 LYS H . . 4.600 4.154 2.907 4.625 0.025 5 0 "[ . 1 . 2]" 1
849 1 65 GLY QA 1 66 LYS H . . 2.800 2.302 2.171 2.841 0.041 4 0 "[ . 1 . 2]" 1
850 1 65 GLY QA 1 66 LYS QB . . 4.390 4.062 3.809 4.281 . 0 0 "[ . 1 . 2]" 1
851 1 66 LYS H 1 66 LYS QB . . 3.010 2.482 2.156 3.092 0.082 4 0 "[ . 1 . 2]" 1
852 1 66 LYS H 1 67 GLY H . . 4.530 4.010 2.572 4.564 0.034 7 0 "[ . 1 . 2]" 1
853 1 66 LYS HA 1 67 GLY H . . 2.620 2.332 2.066 2.726 0.106 4 0 "[ . 1 . 2]" 1
854 1 66 LYS HA 1 67 GLY QA . . 4.860 3.976 3.856 4.121 . 0 0 "[ . 1 . 2]" 1
855 1 66 LYS QB 1 67 GLY H . . 4.240 3.529 2.372 4.044 . 0 0 "[ . 1 . 2]" 1
856 1 67 GLY H 1 67 GLY HA2 . . 2.940 2.532 2.202 2.948 0.008 8 0 "[ . 1 . 2]" 1
857 1 67 GLY H 1 67 GLY HA3 . . 2.940 2.859 2.618 2.990 0.050 3 0 "[ . 1 . 2]" 1
858 1 67 GLY H 1 68 GLN H . . 3.170 2.396 1.761 3.232 0.062 10 0 "[ . 1 . 2]" 1
859 1 68 GLN H 1 68 GLN QB . . 2.900 2.615 2.171 3.084 0.184 18 0 "[ . 1 . 2]" 1
860 1 68 GLN H 1 68 GLN QG . . 4.180 3.382 1.827 4.232 0.052 11 0 "[ . 1 . 2]" 1
861 1 68 GLN H 1 69 LYS H . . 4.620 4.127 2.285 4.539 . 0 0 "[ . 1 . 2]" 1
862 1 68 GLN HA 1 68 GLN QG . . 3.570 3.015 2.250 3.513 . 0 0 "[ . 1 . 2]" 1
863 1 68 GLN HA 1 69 LYS H . . 2.640 2.372 2.058 2.989 0.349 12 0 "[ . 1 . 2]" 1
864 1 68 GLN QB 1 69 LYS H . . 3.710 3.111 2.029 3.891 0.181 1 0 "[ . 1 . 2]" 1
865 1 68 GLN QG 1 69 LYS H . . 3.390 2.966 1.792 3.523 0.133 15 0 "[ . 1 . 2]" 1
866 1 68 GLN QG 1 69 LYS HA . . 4.110 3.814 3.052 4.277 0.167 4 0 "[ . 1 . 2]" 1
867 1 69 LYS H 1 69 LYS QB . . 3.460 3.153 2.490 3.485 0.025 15 0 "[ . 1 . 2]" 1
868 1 69 LYS H 1 69 LYS HG2 . . 3.990 2.993 2.276 4.148 0.158 19 0 "[ . 1 . 2]" 1
869 1 69 LYS H 1 69 LYS QG . . 3.310 2.604 2.252 3.261 . 0 0 "[ . 1 . 2]" 1
870 1 69 LYS H 1 69 LYS HG3 . . 3.990 3.197 2.430 4.124 0.134 20 0 "[ . 1 . 2]" 1
871 1 69 LYS HA 1 69 LYS QB . . 2.610 2.180 2.107 2.384 . 0 0 "[ . 1 . 2]" 1
872 1 69 LYS HA 1 70 CYS H . . 3.090 2.277 2.060 2.539 . 0 0 "[ . 1 . 2]" 1
873 1 69 LYS QB 1 70 CYS H . . 3.480 2.860 2.233 3.560 0.080 1 0 "[ . 1 . 2]" 1
874 1 69 LYS QB 1 70 CYS QB . . 5.180 4.387 3.916 5.024 . 0 0 "[ . 1 . 2]" 1
875 1 69 LYS HB2 1 70 CYS H . . 4.050 3.029 2.253 4.287 0.237 1 0 "[ . 1 . 2]" 1
876 1 69 LYS HB3 1 70 CYS H . . 4.050 3.874 2.347 4.145 0.095 4 0 "[ . 1 . 2]" 1
877 1 69 LYS HG2 1 70 CYS H . . 5.500 5.065 4.246 5.519 0.019 10 0 "[ . 1 . 2]" 1
878 1 69 LYS HG3 1 70 CYS H . . 5.500 4.577 3.742 5.665 0.165 1 0 "[ . 1 . 2]" 1
879 1 70 CYS H 1 70 CYS QB . . 2.780 2.274 2.059 2.591 . 0 0 "[ . 1 . 2]" 1
880 1 70 CYS HA 1 71 CYS H . . 2.860 2.190 2.095 2.354 . 0 0 "[ . 1 . 2]" 1
881 1 71 CYS H 1 71 CYS QB . . 3.230 2.603 2.153 2.832 . 0 0 "[ . 1 . 2]" 1
882 1 71 CYS H 1 72 VAL H . . 5.090 3.605 1.784 4.604 . 0 0 "[ . 1 . 2]" 1
883 1 71 CYS HA 1 72 VAL H . . 3.340 2.507 2.118 3.418 0.078 16 0 "[ . 1 . 2]" 1
884 1 71 CYS HA 1 72 VAL QG . . 4.990 3.965 3.109 4.881 . 0 0 "[ . 1 . 2]" 1
885 1 71 CYS QB 1 72 VAL H . . 4.360 3.666 3.019 4.103 . 0 0 "[ . 1 . 2]" 1
886 1 72 VAL H 1 72 VAL HB . . 3.310 2.896 2.331 3.331 0.021 5 0 "[ . 1 . 2]" 1
887 1 72 VAL H 1 72 VAL QG . . 2.780 2.574 1.901 2.929 0.149 18 0 "[ . 1 . 2]" 1
888 1 72 VAL HA 1 72 VAL MG1 . . 3.690 2.759 2.239 3.276 . 0 0 "[ . 1 . 2]" 1
889 1 72 VAL HA 1 72 VAL QG . . 3.120 2.188 2.115 2.346 . 0 0 "[ . 1 . 2]" 1
890 1 72 VAL HA 1 72 VAL MG2 . . 3.690 2.399 2.224 2.641 . 0 0 "[ . 1 . 2]" 1
891 1 72 VAL HA 1 73 TRP H . . 3.030 2.331 2.112 3.124 0.094 10 0 "[ . 1 . 2]" 1
892 1 72 VAL HA 1 73 TRP HE3 . . 5.500 5.378 4.837 5.578 0.078 6 0 "[ . 1 . 2]" 1
893 1 72 VAL QG 1 73 TRP H . . 4.180 2.425 1.836 3.832 . 0 0 "[ . 1 . 2]" 1
894 1 72 VAL QG 1 73 TRP HD1 . . 5.440 4.496 3.266 5.591 0.151 4 0 "[ . 1 . 2]" 1
895 1 73 TRP H 1 73 TRP QB . . 3.210 2.762 2.401 3.295 0.085 18 0 "[ . 1 . 2]" 1
896 1 73 TRP H 1 73 TRP HD1 . . 4.320 3.637 2.422 4.399 0.079 10 0 "[ . 1 . 2]" 1
897 1 73 TRP H 1 73 TRP HE3 . . 4.880 4.258 2.725 4.951 0.071 2 0 "[ . 1 . 2]" 1
898 1 73 TRP H 1 74 LEU H . . 4.620 4.253 2.475 4.510 . 0 0 "[ . 1 . 2]" 1
899 1 73 TRP H 1 74 LEU HA . . 5.290 5.187 4.901 5.403 0.113 10 0 "[ . 1 . 2]" 1
900 1 73 TRP HA 1 73 TRP HD1 . . 3.120 3.050 2.426 3.902 0.782 9 7 "[ ** -***+1 . 2]" 1
901 1 73 TRP HA 1 74 LEU H . . 2.960 2.619 2.485 3.205 0.245 20 0 "[ . 1 . 2]" 1
902 1 73 TRP QB 1 73 TRP HE3 . . 3.100 2.458 2.380 2.528 . 0 0 "[ . 1 . 2]" 1
903 1 73 TRP QB 1 74 LEU H . . 3.820 2.247 2.001 3.749 . 0 0 "[ . 1 . 2]" 1
904 1 73 TRP HB2 1 73 TRP HE3 . . 3.850 2.823 2.400 3.520 . 0 0 "[ . 1 . 2]" 1
905 1 73 TRP HB2 1 74 LEU H . . 4.350 2.841 2.013 4.053 . 0 0 "[ . 1 . 2]" 1
906 1 73 TRP HB3 1 73 TRP HE3 . . 3.850 3.342 2.510 3.950 0.100 18 0 "[ . 1 . 2]" 1
907 1 73 TRP HB3 1 74 LEU H . . 4.350 2.864 2.070 4.418 0.068 18 0 "[ . 1 . 2]" 1
908 1 73 TRP HE3 1 74 LEU H . . 5.500 5.509 5.033 5.573 0.073 9 0 "[ . 1 . 2]" 1
909 1 74 LEU H 1 74 LEU QB . . 2.700 2.381 2.098 2.762 0.062 19 0 "[ . 1 . 2]" 1
910 1 74 LEU H 1 74 LEU MD1 . . 5.070 3.893 2.195 4.381 . 0 0 "[ . 1 . 2]" 1
911 1 74 LEU H 1 74 LEU QD . . 4.230 3.341 1.729 3.951 . 0 0 "[ . 1 . 2]" 1
912 1 74 LEU H 1 74 LEU MD2 . . 5.070 3.962 1.730 4.630 . 0 0 "[ . 1 . 2]" 1
913 1 74 LEU H 1 75 HIS H . . 5.130 3.869 1.977 4.627 . 0 0 "[ . 1 . 2]" 1
914 1 74 LEU HA 1 74 LEU MD1 . . 4.030 3.150 2.136 4.067 0.037 19 0 "[ . 1 . 2]" 1
915 1 74 LEU HA 1 74 LEU QD . . 3.510 2.463 2.057 3.451 . 0 0 "[ . 1 . 2]" 1
916 1 74 LEU HA 1 74 LEU MD2 . . 4.030 3.091 2.110 3.921 . 0 0 "[ . 1 . 2]" 1
917 1 74 LEU QB 1 75 HIS H . . 3.730 2.802 2.082 3.786 0.056 18 0 "[ . 1 . 2]" 1
918 1 74 LEU QB 1 75 HIS QB . . 4.330 3.986 3.491 4.511 0.181 18 0 "[ . 1 . 2]" 1
919 1 74 LEU HB2 1 75 HIS H . . 4.320 3.696 2.175 4.367 0.047 5 0 "[ . 1 . 2]" 1
920 1 74 LEU HB3 1 75 HIS H . . 4.320 3.129 2.095 4.170 . 0 0 "[ . 1 . 2]" 1
921 1 74 LEU QD 1 75 HIS H . . 4.340 3.128 2.046 4.060 . 0 0 "[ . 1 . 2]" 1
922 1 74 LEU QD 1 75 HIS QB . . 3.970 3.916 2.251 4.858 0.888 13 4 "[ . *1 + .-* 2]" 1
923 1 74 LEU MD1 1 75 HIS H . . 5.280 3.816 2.068 4.935 . 0 0 "[ . 1 . 2]" 1
924 1 74 LEU MD2 1 75 HIS H . . 5.280 3.699 2.526 5.325 0.045 9 0 "[ . 1 . 2]" 1
925 1 75 HIS H 1 75 HIS QB . . 3.460 2.476 2.176 3.334 . 0 0 "[ . 1 . 2]" 1
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