NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
609827 |
2n8f   |
25848 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n8f
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 1233
_Distance_constraint_stats_list.Viol_count 1457
_Distance_constraint_stats_list.Viol_total 540.318
_Distance_constraint_stats_list.Viol_max 0.335
_Distance_constraint_stats_list.Viol_rms 0.0084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0185
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.030 0.010 10 0 "[ . 1 . 2]"
1 4 CYS 0.013 0.005 6 0 "[ . 1 . 2]"
1 5 ILE 0.241 0.029 4 0 "[ . 1 . 2]"
1 6 ARG 0.213 0.036 10 0 "[ . 1 . 2]"
1 7 LYS 0.236 0.036 10 0 "[ . 1 . 2]"
1 8 TRP 0.052 0.008 10 0 "[ . 1 . 2]"
1 9 LEU 0.297 0.082 8 0 "[ . 1 . 2]"
1 10 SER 0.978 0.205 9 0 "[ . 1 . 2]"
1 11 CYS 1.203 0.335 8 0 "[ . 1 . 2]"
1 12 VAL 0.662 0.172 9 0 "[ . 1 . 2]"
1 14 ARG 0.056 0.010 7 0 "[ . 1 . 2]"
1 15 LYS 0.027 0.007 13 0 "[ . 1 . 2]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASP 0.049 0.021 4 0 "[ . 1 . 2]"
1 18 CYS 0.310 0.030 13 0 "[ . 1 . 2]"
1 19 CYS 0.137 0.029 8 0 "[ . 1 . 2]"
1 20 GLU 0.142 0.028 19 0 "[ . 1 . 2]"
1 21 GLY 0.094 0.022 18 0 "[ . 1 . 2]"
1 22 LEU 1.156 0.087 20 0 "[ . 1 . 2]"
1 23 GLU 1.579 0.119 20 0 "[ . 1 . 2]"
1 24 CYS 0.112 0.062 13 0 "[ . 1 . 2]"
1 25 TYR 0.113 0.035 20 0 "[ . 1 . 2]"
1 26 LYS 0.053 0.036 13 0 "[ . 1 . 2]"
1 27 ARG 0.138 0.078 20 0 "[ . 1 . 2]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 HIS 0.139 0.079 17 0 "[ . 1 . 2]"
1 30 SER 0.118 0.078 20 0 "[ . 1 . 2]"
1 31 PHE 0.435 0.172 9 0 "[ . 1 . 2]"
1 32 GLU 0.373 0.090 2 0 "[ . 1 . 2]"
1 33 VAL 2.686 0.335 8 0 "[ . 1 . 2]"
1 34 CYS 0.822 0.076 2 0 "[ . 1 . 2]"
1 35 VAL 1.065 0.119 20 0 "[ . 1 . 2]"
1 36 PRO 0.551 0.043 2 0 "[ . 1 . 2]"
1 37 ILE 1.958 0.053 14 0 "[ . 1 . 2]"
1 38 PRO 0.032 0.009 15 0 "[ . 1 . 2]"
1 39 GLY 0.004 0.004 2 0 "[ . 1 . 2]"
1 40 PHE 2.207 0.053 14 0 "[ . 1 . 2]"
1 41 CYS 0.209 0.022 13 0 "[ . 1 . 2]"
1 42 LEU 1.592 0.050 20 0 "[ . 1 . 2]"
1 43 VAL 0.727 0.140 15 0 "[ . 1 . 2]"
1 44 LYS 1.415 0.042 16 0 "[ . 1 . 2]"
1 45 TRP 0.764 0.034 3 0 "[ . 1 . 2]"
1 46 LYS 1.896 0.140 15 0 "[ . 1 . 2]"
1 47 GLN 0.310 0.057 7 0 "[ . 1 . 2]"
1 48 CYS 0.411 0.041 3 0 "[ . 1 . 2]"
1 49 ASP 0.515 0.030 1 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ARG 3.977 0.146 7 0 "[ . 1 . 2]"
1 52 GLU 0.592 0.051 19 0 "[ . 1 . 2]"
1 53 ARG 2.034 0.302 12 0 "[ . 1 . 2]"
1 54 ASP 0.615 0.053 1 0 "[ . 1 . 2]"
1 55 CYS 1.085 0.056 3 0 "[ . 1 . 2]"
1 56 CYS 0.678 0.047 20 0 "[ . 1 . 2]"
1 57 ALA 0.156 0.023 6 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 2.510 0.123 14 0 "[ . 1 . 2]"
1 60 GLU 0.081 0.011 11 0 "[ . 1 . 2]"
1 61 CYS 0.360 0.051 19 0 "[ . 1 . 2]"
1 62 TRP 1.491 0.047 4 0 "[ . 1 . 2]"
1 63 LYS 0.822 0.066 2 0 "[ . 1 . 2]"
1 64 ARG 0.433 0.034 16 0 "[ . 1 . 2]"
1 65 SER 0.031 0.010 1 0 "[ . 1 . 2]"
1 66 GLY 0.099 0.034 16 0 "[ . 1 . 2]"
1 67 ASN 0.016 0.014 14 0 "[ . 1 . 2]"
1 68 LYS 0.394 0.151 17 0 "[ . 1 . 2]"
1 69 SER 0.221 0.037 17 0 "[ . 1 . 2]"
1 70 SER 0.587 0.073 17 0 "[ . 1 . 2]"
1 71 VAL 1.424 0.073 17 0 "[ . 1 . 2]"
1 72 CYS 1.125 0.034 3 0 "[ . 1 . 2]"
1 73 ALA 0.807 0.047 4 0 "[ . 1 . 2]"
1 74 PRO 1.076 0.057 6 0 "[ . 1 . 2]"
1 75 ILE 0.146 0.018 14 0 "[ . 1 . 2]"
1 76 THR 0.284 0.063 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 19 CYS H 1 20 GLU H . . 4.540 4.346 4.342 4.351 . 0 0 "[ . 1 . 2]" 1
2 1 21 GLY H 1 22 LEU H . . 3.210 2.421 2.355 2.495 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLU H 1 3 GLU QG . . 3.190 2.601 2.026 3.111 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLU H 1 3 GLU HB3 . . 3.660 3.211 2.467 3.628 . 0 0 "[ . 1 . 2]" 1
5 1 2 ASN HB2 1 3 GLU H . . 4.540 3.775 2.278 4.462 . 0 0 "[ . 1 . 2]" 1
6 1 2 ASN HB3 1 3 GLU H . . 4.540 3.482 2.012 4.351 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLU HB2 1 4 CYS H . . 3.790 3.134 2.134 3.773 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLU HB3 1 4 CYS H . . 3.790 2.738 2.054 3.792 0.002 20 0 "[ . 1 . 2]" 1
9 1 4 CYS H 1 4 CYS HB3 . . 3.090 2.938 2.622 3.082 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLU HA 1 4 CYS H . . 2.590 2.507 2.420 2.577 . 0 0 "[ . 1 . 2]" 1
11 1 5 ILE H 1 18 CYS HA . . 3.700 3.644 3.453 3.711 0.011 13 0 "[ . 1 . 2]" 1
12 1 4 CYS HB2 1 5 ILE H . . 3.290 2.238 2.201 2.298 . 0 0 "[ . 1 . 2]" 1
13 1 5 ILE H 1 5 ILE HB . . 3.160 2.517 2.488 2.586 . 0 0 "[ . 1 . 2]" 1
14 1 6 ARG HB2 1 7 LYS H . . 3.990 3.900 3.599 4.003 0.013 10 0 "[ . 1 . 2]" 1
15 1 6 ARG HA 1 7 LYS H . . 3.370 2.295 2.218 2.444 . 0 0 "[ . 1 . 2]" 1
16 1 37 ILE MG 1 40 PHE H . . 3.640 3.307 3.228 3.406 . 0 0 "[ . 1 . 2]" 1
17 1 42 LEU H 1 42 LEU MD2 . . 3.580 3.559 3.502 3.592 0.012 2 0 "[ . 1 . 2]" 1
18 1 43 VAL H 1 43 VAL MG2 . . 2.610 2.072 2.008 2.133 . 0 0 "[ . 1 . 2]" 1
19 1 42 LEU H 1 42 LEU HB2 . . 3.320 2.799 2.749 2.850 . 0 0 "[ . 1 . 2]" 1
20 1 42 LEU H 1 42 LEU HG . . 3.210 2.687 2.572 2.732 . 0 0 "[ . 1 . 2]" 1
21 1 41 CYS H 1 41 CYS HB3 . . 3.980 3.338 3.275 3.452 . 0 0 "[ . 1 . 2]" 1
22 1 40 PHE HA 1 41 CYS H . . 2.710 2.242 2.239 2.246 . 0 0 "[ . 1 . 2]" 1
23 1 39 GLY HA2 1 40 PHE H . . 3.560 3.193 3.156 3.245 . 0 0 "[ . 1 . 2]" 1
24 1 39 GLY HA3 1 40 PHE H . . 3.560 3.351 3.308 3.380 . 0 0 "[ . 1 . 2]" 1
25 1 38 PRO HB3 1 39 GLY H . . 4.100 3.969 3.908 4.104 0.004 2 0 "[ . 1 . 2]" 1
26 1 38 PRO HB2 1 39 GLY H . . 4.100 3.483 3.390 3.681 . 0 0 "[ . 1 . 2]" 1
27 1 38 PRO HA 1 39 GLY H . . 2.730 2.166 2.155 2.175 . 0 0 "[ . 1 . 2]" 1
28 1 39 GLY H 1 40 PHE H . . 3.440 2.570 2.405 2.633 . 0 0 "[ . 1 . 2]" 1
29 1 40 PHE QD 1 41 CYS H . . 3.550 2.705 2.579 2.902 . 0 0 "[ . 1 . 2]" 1
30 1 40 PHE H 1 40 PHE QD . . 4.090 4.112 4.097 4.128 0.038 12 0 "[ . 1 . 2]" 1
31 1 42 LEU H 1 43 VAL H . . 4.590 4.458 4.414 4.487 . 0 0 "[ . 1 . 2]" 1
32 1 41 CYS HB2 1 42 LEU H . . 3.250 1.987 1.946 2.038 . 0 0 "[ . 1 . 2]" 1
33 1 43 VAL H 1 46 LYS HG3 . . 3.360 2.389 1.933 2.643 . 0 0 "[ . 1 . 2]" 1
34 1 42 LEU H 1 55 CYS HA . . 3.400 2.027 1.944 2.136 . 0 0 "[ . 1 . 2]" 1
35 1 50 GLY H 1 51 ARG H . . 3.210 2.987 2.978 3.004 . 0 0 "[ . 1 . 2]" 1
36 1 52 GLU H 1 53 ARG H . . 3.380 2.614 2.515 2.655 . 0 0 "[ . 1 . 2]" 1
37 1 59 LEU H 1 60 GLU H . . 4.580 4.565 4.554 4.581 0.001 20 0 "[ . 1 . 2]" 1
38 1 60 GLU H 1 73 ALA H . . 3.310 2.349 2.315 2.375 . 0 0 "[ . 1 . 2]" 1
39 1 66 GLY H 1 67 ASN H . . 3.300 2.544 2.438 2.669 . 0 0 "[ . 1 . 2]" 1
40 1 4 CYS HA 1 5 ILE H . . 3.210 2.513 2.494 2.519 . 0 0 "[ . 1 . 2]" 1
41 1 3 GLU QG 1 4 CYS H . . 3.850 3.494 3.003 3.846 . 0 0 "[ . 1 . 2]" 1
42 1 46 LYS HA 1 47 GLN H . . 2.640 2.276 2.240 2.383 . 0 0 "[ . 1 . 2]" 1
43 1 47 GLN HB2 1 48 CYS H . . 4.420 4.308 4.245 4.429 0.009 7 0 "[ . 1 . 2]" 1
44 1 47 GLN HA 1 48 CYS H . . 2.920 2.205 2.156 2.234 . 0 0 "[ . 1 . 2]" 1
45 1 51 ARG HA 1 52 GLU H . . 3.310 2.809 2.726 2.856 . 0 0 "[ . 1 . 2]" 1
46 1 57 ALA H 1 57 ALA MB . . 2.600 2.123 2.054 2.226 . 0 0 "[ . 1 . 2]" 1
47 1 59 LEU HA 1 60 GLU H . . 2.850 2.503 2.466 2.524 . 0 0 "[ . 1 . 2]" 1
48 1 60 GLU H 1 60 GLU QB . . 3.280 3.206 3.161 3.240 . 0 0 "[ . 1 . 2]" 1
49 1 60 GLU H 1 60 GLU HG2 . . 3.220 2.619 2.563 2.704 . 0 0 "[ . 1 . 2]" 1
50 1 31 PHE H 1 31 PHE QD . . 3.680 2.292 1.939 3.672 . 0 0 "[ . 1 . 2]" 1
51 1 74 PRO HA 1 75 ILE H . . 2.790 2.459 2.405 2.484 . 0 0 "[ . 1 . 2]" 1
52 1 74 PRO HB3 1 75 ILE H . . 3.510 3.383 3.355 3.448 . 0 0 "[ . 1 . 2]" 1
53 1 74 PRO HB2 1 75 ILE H . . 3.710 2.471 2.411 2.603 . 0 0 "[ . 1 . 2]" 1
54 1 75 ILE H 1 75 ILE HB . . 3.610 3.602 3.601 3.605 . 0 0 "[ . 1 . 2]" 1
55 1 75 ILE H 1 75 ILE HG12 . . 3.140 2.077 2.063 2.086 . 0 0 "[ . 1 . 2]" 1
56 1 75 ILE H 1 75 ILE HG13 . . 3.270 2.722 2.692 2.752 . 0 0 "[ . 1 . 2]" 1
57 1 75 ILE H 1 75 ILE MG . . 3.370 2.403 2.371 2.461 . 0 0 "[ . 1 . 2]" 1
58 1 33 VAL HB 1 34 CYS H . . 3.760 2.477 2.140 3.797 0.037 8 0 "[ . 1 . 2]" 1
59 1 37 ILE H 1 37 ILE HB . . 3.640 2.493 2.480 2.510 . 0 0 "[ . 1 . 2]" 1
60 1 10 SER H 1 10 SER HB3 . . 4.110 3.659 3.429 3.871 . 0 0 "[ . 1 . 2]" 1
61 1 30 SER HB2 1 31 PHE H . . 4.480 3.741 2.240 4.275 . 0 0 "[ . 1 . 2]" 1
62 1 30 SER HB3 1 31 PHE H . . 4.480 2.811 1.947 4.029 . 0 0 "[ . 1 . 2]" 1
63 1 35 VAL H 1 35 VAL HB . . 3.930 3.805 3.720 3.859 . 0 0 "[ . 1 . 2]" 1
64 1 43 VAL HB 1 44 LYS H . . 2.900 1.916 1.889 1.932 . 0 0 "[ . 1 . 2]" 1
65 1 26 LYS H 1 26 LYS HB3 . . 3.800 3.116 2.441 3.691 . 0 0 "[ . 1 . 2]" 1
66 1 26 LYS H 1 26 LYS QG . . 4.270 2.985 1.934 4.161 . 0 0 "[ . 1 . 2]" 1
67 1 21 GLY H 1 22 LEU HG . . 4.830 4.611 4.520 4.714 . 0 0 "[ . 1 . 2]" 1
68 1 21 GLY H 1 22 LEU HB2 . . 4.850 4.659 4.569 4.781 . 0 0 "[ . 1 . 2]" 1
69 1 21 GLY H 1 37 ILE MD . . 4.010 3.763 3.501 4.012 0.002 15 0 "[ . 1 . 2]" 1
70 1 22 LEU H 1 22 LEU MD2 . . 3.850 3.768 3.626 3.829 . 0 0 "[ . 1 . 2]" 1
71 1 22 LEU H 1 22 LEU HG . . 3.360 3.212 3.034 3.329 . 0 0 "[ . 1 . 2]" 1
72 1 22 LEU H 1 22 LEU HB2 . . 3.430 2.601 2.513 2.651 . 0 0 "[ . 1 . 2]" 1
73 1 20 GLU HA 1 22 LEU H . . 3.850 3.780 3.594 3.858 0.008 18 0 "[ . 1 . 2]" 1
74 1 21 GLY H 1 22 LEU MD2 . . 5.260 5.221 5.123 5.276 0.016 8 0 "[ . 1 . 2]" 1
75 1 20 GLU H 1 20 GLU HB3 . . 3.050 2.494 2.401 2.618 . 0 0 "[ . 1 . 2]" 1
76 1 20 GLU H 1 20 GLU HB2 . . 3.050 2.699 2.557 2.846 . 0 0 "[ . 1 . 2]" 1
77 1 19 CYS HB2 1 20 GLU H . . 3.660 3.632 3.607 3.663 0.003 19 0 "[ . 1 . 2]" 1
78 1 19 CYS HB3 1 20 GLU H . . 3.110 2.315 2.202 2.398 . 0 0 "[ . 1 . 2]" 1
79 1 19 CYS HA 1 20 GLU H . . 2.920 2.710 2.687 2.722 . 0 0 "[ . 1 . 2]" 1
80 1 20 GLU H 1 21 GLY H . . 4.510 4.377 4.363 4.394 . 0 0 "[ . 1 . 2]" 1
81 1 22 LEU HA 1 23 GLU H . . 3.100 2.352 2.241 2.454 . 0 0 "[ . 1 . 2]" 1
82 1 23 GLU H 1 35 VAL MG2 . . 3.230 2.895 2.544 3.238 0.008 15 0 "[ . 1 . 2]" 1
83 1 23 GLU H 1 37 ILE MD . . 3.860 3.624 3.417 3.829 . 0 0 "[ . 1 . 2]" 1
84 1 23 GLU HA 1 24 CYS H . . 3.220 2.342 2.181 2.466 . 0 0 "[ . 1 . 2]" 1
85 1 47 GLN HE22 1 69 SER QB . . 4.040 3.395 3.206 3.608 . 0 0 "[ . 1 . 2]" 1
86 1 47 GLN HE22 1 47 GLN HG3 . . 3.670 3.523 3.457 3.600 . 0 0 "[ . 1 . 2]" 1
87 1 62 TRP HA 1 62 TRP HE1 . . 4.670 4.511 4.502 4.522 . 0 0 "[ . 1 . 2]" 1
88 1 62 TRP HE1 1 64 ARG QD . . 4.720 4.160 3.917 4.606 . 0 0 "[ . 1 . 2]" 1
89 1 62 TRP H 1 62 TRP HB2 . . 3.150 2.399 2.379 2.439 . 0 0 "[ . 1 . 2]" 1
90 1 62 TRP H 1 62 TRP HB3 . . 3.220 2.759 2.744 2.770 . 0 0 "[ . 1 . 2]" 1
91 1 62 TRP H 1 71 VAL MG2 . . 4.600 4.365 4.310 4.390 . 0 0 "[ . 1 . 2]" 1
92 1 62 TRP H 1 72 CYS HA . . 3.530 1.997 1.941 2.123 . 0 0 "[ . 1 . 2]" 1
93 1 62 TRP H 1 62 TRP HE3 . . 5.060 5.049 5.033 5.069 0.009 17 0 "[ . 1 . 2]" 1
94 1 62 TRP H 1 71 VAL H . . 4.640 4.585 4.402 4.645 0.005 20 0 "[ . 1 . 2]" 1
95 1 44 LYS HG2 1 45 TRP HE1 . . 4.210 3.329 3.211 3.505 . 0 0 "[ . 1 . 2]" 1
96 1 18 CYS H 1 18 CYS HB2 . . 3.850 2.159 2.089 2.286 . 0 0 "[ . 1 . 2]" 1
97 1 18 CYS H 1 18 CYS HB3 . . 3.850 3.467 3.385 3.548 . 0 0 "[ . 1 . 2]" 1
98 1 18 CYS H 1 19 CYS H . . 4.580 3.073 2.991 3.152 . 0 0 "[ . 1 . 2]" 1
99 1 19 CYS H 1 19 CYS HB3 . . 3.740 3.568 3.535 3.650 . 0 0 "[ . 1 . 2]" 1
100 1 68 LYS HB2 1 69 SER H . . 3.920 3.403 1.946 3.708 . 0 0 "[ . 1 . 2]" 1
101 1 69 SER H 1 71 VAL MG1 . . 4.450 4.346 4.053 4.487 0.037 17 0 "[ . 1 . 2]" 1
102 1 69 SER H 1 69 SER QB . . 3.040 2.214 2.125 2.303 . 0 0 "[ . 1 . 2]" 1
103 1 68 LYS HA 1 69 SER H . . 2.840 2.604 2.582 2.645 . 0 0 "[ . 1 . 2]" 1
104 1 25 TYR H 1 35 VAL MG2 . . 4.410 3.196 2.599 3.803 . 0 0 "[ . 1 . 2]" 1
105 1 3 GLU H 1 3 GLU HB2 . . 3.660 2.760 2.180 3.656 . 0 0 "[ . 1 . 2]" 1
106 1 4 CYS H 1 5 ILE H . . 4.600 4.488 4.441 4.554 . 0 0 "[ . 1 . 2]" 1
107 1 5 ILE H 1 6 ARG H . . 4.700 4.522 4.402 4.611 . 0 0 "[ . 1 . 2]" 1
108 1 6 ARG HG2 1 7 LYS H . . 4.760 4.576 4.197 4.764 0.004 4 0 "[ . 1 . 2]" 1
109 1 8 TRP H 1 9 LEU H . . 3.980 2.854 2.823 2.900 . 0 0 "[ . 1 . 2]" 1
110 1 19 CYS H 1 22 LEU HB2 . . 3.810 2.941 2.753 3.039 . 0 0 "[ . 1 . 2]" 1
111 1 23 GLU H 1 37 ILE H . . 4.550 4.479 3.997 4.566 0.016 7 0 "[ . 1 . 2]" 1
112 1 25 TYR H 1 26 LYS H . . 4.880 4.538 4.468 4.573 . 0 0 "[ . 1 . 2]" 1
113 1 15 LYS H 1 15 LYS QB . . 3.830 2.583 2.333 2.718 . 0 0 "[ . 1 . 2]" 1
114 1 61 CYS H 1 62 TRP H . . 4.270 4.212 4.170 4.240 . 0 0 "[ . 1 . 2]" 1
115 1 60 GLU HA 1 61 CYS H . . 3.040 2.349 2.298 2.453 . 0 0 "[ . 1 . 2]" 1
116 1 61 CYS H 1 61 CYS HB2 . . 3.120 2.315 2.265 2.398 . 0 0 "[ . 1 . 2]" 1
117 1 63 LYS H 1 64 ARG H . . 4.130 4.121 4.082 4.154 0.024 17 0 "[ . 1 . 2]" 1
118 1 62 TRP HB2 1 63 LYS H . . 4.420 4.334 4.304 4.388 . 0 0 "[ . 1 . 2]" 1
119 1 62 TRP HB3 1 63 LYS H . . 4.000 3.933 3.872 4.014 0.014 2 0 "[ . 1 . 2]" 1
120 1 62 TRP HA 1 63 LYS H . . 2.860 2.166 2.149 2.179 . 0 0 "[ . 1 . 2]" 1
121 1 62 TRP H 1 73 ALA H . . 4.360 3.286 3.229 3.368 . 0 0 "[ . 1 . 2]" 1
122 1 45 TRP H 1 72 CYS H . . 4.980 4.859 4.825 4.894 . 0 0 "[ . 1 . 2]" 1
123 1 44 LYS H 1 45 TRP H . . 3.600 2.555 2.547 2.571 . 0 0 "[ . 1 . 2]" 1
124 1 45 TRP H 1 45 TRP HD1 . . 4.240 3.610 3.432 3.694 . 0 0 "[ . 1 . 2]" 1
125 1 43 VAL MG2 1 45 TRP H . . 3.710 1.974 1.885 1.989 . 0 0 "[ . 1 . 2]" 1
126 1 44 LYS HG2 1 45 TRP H . . 3.850 2.956 2.885 2.996 . 0 0 "[ . 1 . 2]" 1
127 1 37 ILE HB 1 40 PHE H . . 4.110 4.039 3.981 4.098 . 0 0 "[ . 1 . 2]" 1
128 1 39 GLY H 1 40 PHE HB3 . . 4.650 4.536 4.385 4.627 . 0 0 "[ . 1 . 2]" 1
129 1 41 CYS H 1 42 LEU H . . 4.590 4.333 4.328 4.342 . 0 0 "[ . 1 . 2]" 1
130 1 41 CYS HA 1 42 LEU H . . 3.080 2.705 2.681 2.715 . 0 0 "[ . 1 . 2]" 1
131 1 42 LEU H 1 43 VAL MG1 . . 5.110 4.881 4.764 4.959 . 0 0 "[ . 1 . 2]" 1
132 1 42 LEU H 1 42 LEU HB3 . . 3.910 3.820 3.794 3.837 . 0 0 "[ . 1 . 2]" 1
133 1 42 LEU H 1 42 LEU MD1 . . 3.990 3.977 3.866 4.006 0.016 8 0 "[ . 1 . 2]" 1
134 1 42 LEU HB3 1 43 VAL H . . 3.650 2.359 2.142 2.509 . 0 0 "[ . 1 . 2]" 1
135 1 43 VAL H 1 46 LYS HG2 . . 3.960 3.757 3.424 3.934 . 0 0 "[ . 1 . 2]" 1
136 1 45 TRP H 1 46 LYS H . . 3.430 2.250 2.181 2.429 . 0 0 "[ . 1 . 2]" 1
137 1 46 LYS H 1 72 CYS H . . 3.590 3.177 2.951 3.275 . 0 0 "[ . 1 . 2]" 1
138 1 44 LYS H 1 46 LYS H . . 4.510 4.346 4.265 4.535 0.025 7 0 "[ . 1 . 2]" 1
139 1 43 VAL H 1 46 LYS H . . 4.160 3.711 3.601 3.978 . 0 0 "[ . 1 . 2]" 1
140 1 44 LYS HA 1 46 LYS H . . 3.950 3.717 3.700 3.738 . 0 0 "[ . 1 . 2]" 1
141 1 46 LYS H 1 72 CYS HB2 . . 3.590 3.474 3.217 3.596 0.006 6 0 "[ . 1 . 2]" 1
142 1 46 LYS H 1 71 VAL HB . . 3.930 3.703 3.442 3.812 . 0 0 "[ . 1 . 2]" 1
143 1 43 VAL MG2 1 46 LYS H . . 3.340 2.466 2.323 2.726 . 0 0 "[ . 1 . 2]" 1
144 1 46 LYS H 1 59 LEU MD1 . . 5.500 4.972 4.647 5.623 0.123 14 0 "[ . 1 . 2]" 1
145 1 47 GLN H 1 48 CYS H . . 4.780 4.608 4.549 4.628 . 0 0 "[ . 1 . 2]" 1
146 1 47 GLN H 1 47 GLN HG2 . . 4.480 4.321 4.273 4.376 . 0 0 "[ . 1 . 2]" 1
147 1 47 GLN H 1 47 GLN HG3 . . 3.340 3.231 3.135 3.359 0.019 7 0 "[ . 1 . 2]" 1
148 1 46 LYS HG2 1 47 GLN H . . 4.290 4.241 4.184 4.347 0.057 7 0 "[ . 1 . 2]" 1
149 1 48 CYS H 1 71 VAL HA . . 3.220 2.459 2.346 2.520 . 0 0 "[ . 1 . 2]" 1
150 1 48 CYS H 1 49 ASP HA . . 4.750 4.637 4.571 4.765 0.015 15 0 "[ . 1 . 2]" 1
151 1 48 CYS H 1 49 ASP H . . 3.140 2.069 1.984 2.232 . 0 0 "[ . 1 . 2]" 1
152 1 48 CYS H 1 48 CYS HB2 . . 3.760 3.712 3.659 3.743 . 0 0 "[ . 1 . 2]" 1
153 1 49 ASP H 1 69 SER QB . . 5.480 5.307 5.234 5.365 . 0 0 "[ . 1 . 2]" 1
154 1 49 ASP H 1 70 SER HB3 . . 4.680 4.480 2.973 4.696 0.016 2 0 "[ . 1 . 2]" 1
155 1 48 CYS H 1 48 CYS HB3 . . 3.870 2.688 2.567 2.744 . 0 0 "[ . 1 . 2]" 1
156 1 47 GLN HG3 1 48 CYS H . . 4.220 4.034 3.924 4.229 0.009 7 0 "[ . 1 . 2]" 1
157 1 47 GLN HG2 1 48 CYS H . . 3.630 3.552 3.436 3.645 0.015 7 0 "[ . 1 . 2]" 1
158 1 47 GLN HB3 1 48 CYS H . . 3.800 3.200 3.081 3.440 . 0 0 "[ . 1 . 2]" 1
159 1 48 CYS H 1 71 VAL HB . . 4.980 4.914 4.775 4.984 0.004 3 0 "[ . 1 . 2]" 1
160 1 48 CYS H 1 71 VAL MG1 . . 3.950 3.949 3.921 3.965 0.015 8 0 "[ . 1 . 2]" 1
161 1 49 ASP HA 1 51 ARG H . . 3.900 3.775 3.771 3.781 . 0 0 "[ . 1 . 2]" 1
162 1 51 ARG H 1 52 GLU H . . 3.080 2.867 2.781 3.014 . 0 0 "[ . 1 . 2]" 1
163 1 50 GLY H 1 52 GLU H . . 4.160 3.539 3.445 3.742 . 0 0 "[ . 1 . 2]" 1
164 1 49 ASP HA 1 52 GLU H . . 5.030 4.813 4.685 5.044 0.014 3 0 "[ . 1 . 2]" 1
165 1 52 GLU H 1 61 CYS HB2 . . 5.500 4.742 4.611 4.797 . 0 0 "[ . 1 . 2]" 1
166 1 48 CYS HB2 1 52 GLU H . . 5.080 4.812 4.699 4.944 . 0 0 "[ . 1 . 2]" 1
167 1 52 GLU H 1 52 GLU QB . . 2.890 2.444 2.403 2.556 . 0 0 "[ . 1 . 2]" 1
168 1 52 GLU H 1 52 GLU QG . . 3.110 2.200 1.994 2.261 . 0 0 "[ . 1 . 2]" 1
169 1 51 ARG HB2 1 52 GLU H . . 4.310 4.221 4.168 4.273 . 0 0 "[ . 1 . 2]" 1
170 1 52 GLU QB 1 53 ARG H . . 3.740 3.703 3.679 3.741 0.001 15 0 "[ . 1 . 2]" 1
171 1 52 GLU QG 1 53 ARG H . . 3.910 2.566 2.453 2.695 . 0 0 "[ . 1 . 2]" 1
172 1 53 ARG HA 1 54 ASP H . . 3.440 3.018 2.972 3.455 0.015 3 0 "[ . 1 . 2]" 1
173 1 42 LEU MD1 1 54 ASP H . . 3.700 3.401 3.285 3.680 . 0 0 "[ . 1 . 2]" 1
174 1 54 ASP H 1 55 CYS H . . 3.140 1.939 1.871 2.621 . 0 0 "[ . 1 . 2]" 1
175 1 53 ARG HA 1 55 CYS H . . 3.990 3.918 3.777 3.959 . 0 0 "[ . 1 . 2]" 1
176 1 55 CYS H 1 55 CYS HB2 . . 3.180 2.639 2.615 2.645 . 0 0 "[ . 1 . 2]" 1
177 1 42 LEU MD2 1 55 CYS H . . 5.130 4.922 4.832 5.018 . 0 0 "[ . 1 . 2]" 1
178 1 55 CYS H 1 59 LEU HB3 . . 5.500 5.358 4.922 5.532 0.032 3 0 "[ . 1 . 2]" 1
179 1 42 LEU HB2 1 55 CYS H . . 4.710 4.099 4.072 4.124 . 0 0 "[ . 1 . 2]" 1
180 1 42 LEU H 1 56 CYS H . . 3.590 2.322 2.275 2.419 . 0 0 "[ . 1 . 2]" 1
181 1 55 CYS H 1 56 CYS H . . 4.740 4.637 4.632 4.647 . 0 0 "[ . 1 . 2]" 1
182 1 56 CYS H 1 57 ALA H . . 4.570 4.551 4.517 4.562 . 0 0 "[ . 1 . 2]" 1
183 1 56 CYS H 1 59 LEU H . . 5.000 4.709 4.596 4.775 . 0 0 "[ . 1 . 2]" 1
184 1 55 CYS HA 1 56 CYS H . . 3.050 2.437 2.362 2.458 . 0 0 "[ . 1 . 2]" 1
185 1 43 VAL HA 1 56 CYS H . . 4.250 4.257 4.102 4.297 0.047 20 0 "[ . 1 . 2]" 1
186 1 56 CYS H 1 56 CYS HB3 . . 3.550 3.446 3.302 3.548 . 0 0 "[ . 1 . 2]" 1
187 1 41 CYS HB2 1 56 CYS H . . 3.720 2.853 2.784 2.999 . 0 0 "[ . 1 . 2]" 1
188 1 56 CYS H 1 56 CYS HB2 . . 3.290 2.146 2.076 2.285 . 0 0 "[ . 1 . 2]" 1
189 1 42 LEU HB2 1 56 CYS H . . 3.690 3.324 3.272 3.411 . 0 0 "[ . 1 . 2]" 1
190 1 56 CYS HB2 1 57 ALA H . . 3.620 3.610 3.421 3.643 0.023 6 0 "[ . 1 . 2]" 1
191 1 41 CYS HB2 1 57 ALA H . . 4.750 4.629 4.579 4.714 . 0 0 "[ . 1 . 2]" 1
192 1 56 CYS HB3 1 57 ALA H . . 2.990 2.112 1.985 2.160 . 0 0 "[ . 1 . 2]" 1
193 1 56 CYS HA 1 57 ALA H . . 2.820 2.599 2.582 2.657 . 0 0 "[ . 1 . 2]" 1
194 1 57 ALA H 1 58 GLY H . . 4.660 4.535 4.464 4.580 . 0 0 "[ . 1 . 2]" 1
195 1 59 LEU H 1 74 PRO HA . . 4.340 4.287 4.236 4.347 0.007 16 0 "[ . 1 . 2]" 1
196 1 55 CYS HB2 1 59 LEU H . . 4.760 4.515 4.407 4.608 . 0 0 "[ . 1 . 2]" 1
197 1 55 CYS HB3 1 59 LEU H . . 4.710 4.532 4.383 4.615 . 0 0 "[ . 1 . 2]" 1
198 1 60 GLU H 1 74 PRO HA . . 4.300 4.205 4.176 4.235 . 0 0 "[ . 1 . 2]" 1
199 1 55 CYS HB3 1 60 GLU H . . 4.340 4.286 4.140 4.350 0.010 7 0 "[ . 1 . 2]" 1
200 1 60 GLU H 1 72 CYS HB3 . . 4.210 3.531 3.505 3.580 . 0 0 "[ . 1 . 2]" 1
201 1 59 LEU MD2 1 60 GLU H . . 4.050 3.071 2.780 3.879 . 0 0 "[ . 1 . 2]" 1
202 1 59 LEU MD1 1 60 GLU H . . 4.050 3.869 3.336 4.061 0.011 11 0 "[ . 1 . 2]" 1
203 1 64 ARG H 1 65 SER H . . 4.430 4.391 4.330 4.436 0.006 11 0 "[ . 1 . 2]" 1
204 1 64 ARG H 1 70 SER HA . . 3.490 2.664 2.343 2.820 . 0 0 "[ . 1 . 2]" 1
205 1 65 SER H 1 66 GLY H . . 4.520 4.359 4.317 4.395 . 0 0 "[ . 1 . 2]" 1
206 1 64 ARG HG2 1 65 SER H . . 4.430 3.700 3.553 3.835 . 0 0 "[ . 1 . 2]" 1
207 1 65 SER HA 1 67 ASN H . . 3.650 3.431 3.393 3.479 . 0 0 "[ . 1 . 2]" 1
208 1 66 GLY HA2 1 67 ASN H . . 3.530 3.455 3.419 3.495 . 0 0 "[ . 1 . 2]" 1
209 1 67 ASN H 1 68 LYS H . . 3.460 2.156 1.968 2.194 . 0 0 "[ . 1 . 2]" 1
210 1 68 LYS H 1 69 SER H . . 4.390 4.364 4.357 4.371 . 0 0 "[ . 1 . 2]" 1
211 1 69 SER HA 1 70 SER H . . 2.950 2.562 2.530 2.575 . 0 0 "[ . 1 . 2]" 1
212 1 69 SER QB 1 70 SER H . . 3.160 2.108 2.072 2.173 . 0 0 "[ . 1 . 2]" 1
213 1 70 SER H 1 70 SER HB3 . . 3.560 2.802 2.208 3.560 . 0 0 "[ . 1 . 2]" 1
214 1 49 ASP H 1 70 SER H . . 5.060 5.060 5.008 5.090 0.030 1 0 "[ . 1 . 2]" 1
215 1 69 SER H 1 70 SER H . . 4.580 4.579 4.549 4.599 0.019 15 0 "[ . 1 . 2]" 1
216 1 70 SER H 1 71 VAL H . . 4.740 4.501 4.468 4.579 . 0 0 "[ . 1 . 2]" 1
217 1 71 VAL H 1 71 VAL MG1 . . 3.520 3.063 3.005 3.118 . 0 0 "[ . 1 . 2]" 1
218 1 63 LYS HA 1 71 VAL H . . 4.340 4.221 3.943 4.323 . 0 0 "[ . 1 . 2]" 1
219 1 47 GLN HA 1 71 VAL H . . 4.760 4.572 4.545 4.623 . 0 0 "[ . 1 . 2]" 1
220 1 70 SER HA 1 71 VAL H . . 2.890 2.142 2.138 2.174 . 0 0 "[ . 1 . 2]" 1
221 1 72 CYS H 1 73 ALA H . . 4.660 4.547 4.543 4.555 . 0 0 "[ . 1 . 2]" 1
222 1 71 VAL HA 1 72 CYS H . . 2.870 2.568 2.565 2.576 . 0 0 "[ . 1 . 2]" 1
223 1 47 GLN HA 1 72 CYS H . . 4.190 3.974 3.937 4.061 . 0 0 "[ . 1 . 2]" 1
224 1 45 TRP HA 1 72 CYS H . . 4.410 4.430 4.412 4.444 0.034 3 0 "[ . 1 . 2]" 1
225 1 72 CYS H 1 72 CYS HB2 . . 3.130 2.277 2.250 2.291 . 0 0 "[ . 1 . 2]" 1
226 1 72 CYS H 1 72 CYS HB3 . . 3.580 3.352 3.314 3.418 . 0 0 "[ . 1 . 2]" 1
227 1 46 LYS HB2 1 72 CYS H . . 4.660 4.608 4.348 4.671 0.011 14 0 "[ . 1 . 2]" 1
228 1 71 VAL HB 1 72 CYS H . . 3.020 2.026 2.005 2.039 . 0 0 "[ . 1 . 2]" 1
229 1 46 LYS HB3 1 72 CYS H . . 5.250 5.239 5.181 5.265 0.015 12 0 "[ . 1 . 2]" 1
230 1 72 CYS H 1 73 ALA MB . . 4.970 4.941 4.928 4.983 0.013 15 0 "[ . 1 . 2]" 1
231 1 71 VAL MG2 1 72 CYS H . . 3.510 3.298 3.181 3.365 . 0 0 "[ . 1 . 2]" 1
232 1 71 VAL MG1 1 72 CYS H . . 3.550 3.437 3.369 3.504 . 0 0 "[ . 1 . 2]" 1
233 1 59 LEU HB3 1 73 ALA H . . 4.480 3.874 3.631 4.468 . 0 0 "[ . 1 . 2]" 1
234 1 59 LEU MD1 1 73 ALA H . . 4.580 4.349 3.774 4.583 0.003 9 0 "[ . 1 . 2]" 1
235 1 71 VAL MG2 1 73 ALA H . . 5.370 5.169 4.986 5.279 . 0 0 "[ . 1 . 2]" 1
236 1 73 ALA H 1 73 ALA MB . . 3.020 2.668 2.614 2.678 . 0 0 "[ . 1 . 2]" 1
237 1 60 GLU QB 1 73 ALA H . . 4.690 4.553 4.514 4.605 . 0 0 "[ . 1 . 2]" 1
238 1 72 CYS HB3 1 73 ALA H . . 3.790 2.913 2.859 2.955 . 0 0 "[ . 1 . 2]" 1
239 1 72 CYS HB2 1 73 ALA H . . 4.340 4.133 4.118 4.149 . 0 0 "[ . 1 . 2]" 1
240 1 73 ALA H 1 74 PRO HD3 . . 4.970 4.895 4.872 4.912 . 0 0 "[ . 1 . 2]" 1
241 1 72 CYS HA 1 73 ALA H . . 2.790 2.313 2.296 2.324 . 0 0 "[ . 1 . 2]" 1
242 1 59 LEU HA 1 75 ILE H . . 4.030 3.938 3.792 4.043 0.013 8 0 "[ . 1 . 2]" 1
243 1 75 ILE HA 1 76 THR H . . 2.670 2.286 2.264 2.290 . 0 0 "[ . 1 . 2]" 1
244 1 75 ILE MG 1 76 THR H . . 3.550 3.553 3.540 3.568 0.018 14 0 "[ . 1 . 2]" 1
245 1 75 ILE HB 1 76 THR H . . 3.390 2.683 2.672 2.751 . 0 0 "[ . 1 . 2]" 1
246 1 75 ILE HG13 1 76 THR H . . 4.550 4.204 4.190 4.247 . 0 0 "[ . 1 . 2]" 1
247 1 23 GLU H 1 37 ILE HG13 . . 5.040 3.270 2.956 3.499 . 0 0 "[ . 1 . 2]" 1
248 1 7 LYS H 1 8 TRP H . . 4.760 4.610 4.574 4.629 . 0 0 "[ . 1 . 2]" 1
249 1 5 ILE MD 1 17 ASP H . . 4.540 3.894 3.433 4.457 . 0 0 "[ . 1 . 2]" 1
250 1 5 ILE MD 1 18 CYS H . . 4.640 3.790 3.467 4.131 . 0 0 "[ . 1 . 2]" 1
251 1 41 CYS H 1 42 LEU MD2 . . 4.380 4.230 4.065 4.387 0.007 3 0 "[ . 1 . 2]" 1
252 1 46 LYS H 1 72 CYS HB3 . . 4.570 4.369 4.326 4.409 . 0 0 "[ . 1 . 2]" 1
253 1 46 LYS H 1 47 GLN H . . 4.610 4.495 4.485 4.509 . 0 0 "[ . 1 . 2]" 1
254 1 48 CYS H 1 71 VAL H . . 4.460 4.284 4.219 4.333 . 0 0 "[ . 1 . 2]" 1
255 1 42 LEU HB3 1 55 CYS H . . 5.500 5.530 5.507 5.550 0.050 20 0 "[ . 1 . 2]" 1
256 1 52 GLU HA 1 61 CYS H . . 4.280 3.961 3.803 4.151 . 0 0 "[ . 1 . 2]" 1
257 1 64 ARG H 1 71 VAL H . . 4.660 3.414 3.229 3.498 . 0 0 "[ . 1 . 2]" 1
258 1 62 TRP HE3 1 71 VAL H . . 5.130 5.136 5.084 5.155 0.025 3 0 "[ . 1 . 2]" 1
259 1 28 ARG H 1 28 ARG QG . . 4.330 2.993 1.943 4.056 . 0 0 "[ . 1 . 2]" 1
260 1 18 CYS HB3 1 19 CYS H . . 4.100 2.491 2.339 2.662 . 0 0 "[ . 1 . 2]" 1
261 1 18 CYS HB2 1 19 CYS H . . 4.100 2.464 2.276 2.623 . 0 0 "[ . 1 . 2]" 1
262 1 9 LEU H 1 22 LEU MD1 . . 5.500 5.337 5.031 5.512 0.012 2 0 "[ . 1 . 2]" 1
263 1 9 LEU H 1 33 VAL HB . . 4.550 2.740 2.178 4.632 0.082 8 0 "[ . 1 . 2]" 1
264 1 47 GLN HG3 1 70 SER H . . 5.070 4.809 4.629 4.944 . 0 0 "[ . 1 . 2]" 1
265 1 2 ASN HA 1 3 GLU H . . 2.940 2.310 2.141 2.630 . 0 0 "[ . 1 . 2]" 1
266 1 5 ILE H 1 19 CYS HB2 . . 4.590 4.125 3.864 4.333 . 0 0 "[ . 1 . 2]" 1
267 1 11 CYS H 1 33 VAL HB . . 4.130 3.935 3.382 4.465 0.335 8 0 "[ . 1 . 2]" 1
268 1 11 CYS H 1 12 VAL H . . 4.360 2.171 2.119 2.417 . 0 0 "[ . 1 . 2]" 1
269 1 7 LYS H 1 7 LYS QE . . 4.610 4.418 4.042 4.609 . 0 0 "[ . 1 . 2]" 1
270 1 7 LYS H 1 22 LEU MD1 . . 3.980 3.480 3.132 3.963 . 0 0 "[ . 1 . 2]" 1
271 1 17 ASP H 1 18 CYS H . . 4.160 2.672 2.395 2.922 . 0 0 "[ . 1 . 2]" 1
272 1 21 GLY H 1 22 LEU HA . . 5.140 5.103 5.044 5.162 0.022 18 0 "[ . 1 . 2]" 1
273 1 22 LEU H 1 37 ILE MD . . 3.380 2.762 2.568 3.251 . 0 0 "[ . 1 . 2]" 1
274 1 22 LEU H 1 23 GLU H . . 4.560 4.466 4.433 4.512 . 0 0 "[ . 1 . 2]" 1
275 1 22 LEU HG 1 23 GLU H . . 5.400 4.929 4.800 5.036 . 0 0 "[ . 1 . 2]" 1
276 1 23 GLU H 1 35 VAL MG1 . . 5.500 4.891 4.656 5.198 . 0 0 "[ . 1 . 2]" 1
277 1 18 CYS HB3 1 23 GLU H . . 5.180 4.726 4.501 4.894 . 0 0 "[ . 1 . 2]" 1
278 1 23 GLU H 1 37 ILE HA . . 5.500 5.282 4.858 5.509 0.009 8 0 "[ . 1 . 2]" 1
279 1 23 GLU H 1 35 VAL H . . 3.450 2.329 2.037 2.832 . 0 0 "[ . 1 . 2]" 1
280 1 18 CYS HB2 1 23 GLU H . . 5.180 5.169 4.924 5.202 0.022 10 0 "[ . 1 . 2]" 1
281 1 23 GLU H 1 24 CYS H . . 4.520 4.375 4.234 4.468 . 0 0 "[ . 1 . 2]" 1
282 1 24 CYS H 1 24 CYS HB2 . . 3.310 2.411 2.171 2.845 . 0 0 "[ . 1 . 2]" 1
283 1 24 CYS H 1 24 CYS HB3 . . 3.310 2.762 2.391 3.081 . 0 0 "[ . 1 . 2]" 1
284 1 24 CYS H 1 35 VAL MG2 . . 4.800 4.510 4.076 4.812 0.012 4 0 "[ . 1 . 2]" 1
285 1 15 LYS QB 1 24 CYS H . . 4.510 4.097 3.350 4.517 0.007 13 0 "[ . 1 . 2]" 1
286 1 26 LYS H 1 26 LYS HB2 . . 3.800 2.971 2.274 3.808 0.008 8 0 "[ . 1 . 2]" 1
287 1 25 TYR QE 1 26 LYS H . . 5.500 3.892 3.604 4.774 . 0 0 "[ . 1 . 2]" 1
288 1 6 ARG H 1 7 LYS H . . 5.500 4.628 4.595 4.646 . 0 0 "[ . 1 . 2]" 1
289 1 27 ARG QB 1 28 ARG H . . 5.500 2.629 1.994 3.798 . 0 0 "[ . 1 . 2]" 1
290 1 28 ARG H 1 29 HIS H . . 5.230 2.684 1.935 3.041 . 0 0 "[ . 1 . 2]" 1
291 1 28 ARG HB2 1 29 HIS H . . 4.420 2.483 1.946 3.644 . 0 0 "[ . 1 . 2]" 1
292 1 28 ARG HB3 1 29 HIS H . . 4.420 2.818 1.946 4.065 . 0 0 "[ . 1 . 2]" 1
293 1 5 ILE MG 1 6 ARG H . . 2.870 2.473 2.103 2.835 . 0 0 "[ . 1 . 2]" 1
294 1 9 LEU H 1 9 LEU HG . . 5.500 4.549 4.424 4.648 . 0 0 "[ . 1 . 2]" 1
295 1 9 LEU H 1 9 LEU HB2 . . 3.800 2.996 2.770 3.133 . 0 0 "[ . 1 . 2]" 1
296 1 10 SER H 1 11 CYS HA . . 4.530 4.412 4.316 4.473 . 0 0 "[ . 1 . 2]" 1
297 1 9 LEU HB2 1 10 SER H . . 3.590 3.493 3.267 3.588 . 0 0 "[ . 1 . 2]" 1
298 1 9 LEU HB3 1 10 SER H . . 3.590 2.019 1.935 2.101 . 0 0 "[ . 1 . 2]" 1
299 1 9 LEU HG 1 10 SER H . . 4.810 3.650 2.879 4.784 . 0 0 "[ . 1 . 2]" 1
300 1 9 LEU H 1 10 SER H . . 4.330 2.442 2.322 2.615 . 0 0 "[ . 1 . 2]" 1
301 1 10 SER H 1 31 PHE QE . . 5.500 5.106 4.320 5.585 0.085 9 0 "[ . 1 . 2]" 1
302 1 16 ASN H 1 17 ASP H . . 4.530 2.421 1.946 2.605 . 0 0 "[ . 1 . 2]" 1
303 1 15 LYS QB 1 16 ASN H . . 4.260 3.373 2.234 3.685 . 0 0 "[ . 1 . 2]" 1
304 1 33 VAL MG2 1 34 CYS H . . 4.030 3.091 2.881 3.893 . 0 0 "[ . 1 . 2]" 1
305 1 11 CYS HA 1 34 CYS H . . 4.390 4.106 3.729 4.444 0.054 10 0 "[ . 1 . 2]" 1
306 1 9 LEU H 1 34 CYS H . . 4.290 3.125 2.447 3.690 . 0 0 "[ . 1 . 2]" 1
307 1 22 LEU HB3 1 35 VAL H . . 4.520 3.285 3.090 3.593 . 0 0 "[ . 1 . 2]" 1
308 1 34 CYS H 1 35 VAL H . . 4.850 4.598 4.487 4.630 . 0 0 "[ . 1 . 2]" 1
309 1 37 ILE MG 1 39 GLY H . . 4.910 4.651 4.572 4.692 . 0 0 "[ . 1 . 2]" 1
310 1 22 LEU HA 1 37 ILE H . . 4.180 3.008 2.733 3.266 . 0 0 "[ . 1 . 2]" 1
311 1 37 ILE H 1 37 ILE HG12 . . 3.950 3.813 3.702 3.949 . 0 0 "[ . 1 . 2]" 1
312 1 37 ILE H 1 37 ILE HG13 . . 3.730 2.359 2.219 2.544 . 0 0 "[ . 1 . 2]" 1
313 1 37 ILE H 1 40 PHE HB3 . . 4.810 4.133 3.958 4.362 . 0 0 "[ . 1 . 2]" 1
314 1 40 PHE QE 1 41 CYS H . . 4.080 3.789 3.713 3.900 . 0 0 "[ . 1 . 2]" 1
315 1 41 CYS HB3 1 42 LEU H . . 3.600 3.533 3.500 3.567 . 0 0 "[ . 1 . 2]" 1
316 1 42 LEU HA 1 43 VAL H . . 2.860 2.475 2.387 2.608 . 0 0 "[ . 1 . 2]" 1
317 1 43 VAL H 1 55 CYS HA . . 5.110 4.938 4.760 5.088 . 0 0 "[ . 1 . 2]" 1
318 1 43 VAL H 1 43 VAL HB . . 3.860 3.726 3.702 3.773 . 0 0 "[ . 1 . 2]" 1
319 1 43 VAL H 1 46 LYS HB2 . . 3.930 2.100 1.963 2.423 . 0 0 "[ . 1 . 2]" 1
320 1 43 VAL H 1 46 LYS HD2 . . 4.480 4.372 4.175 4.487 0.007 3 0 "[ . 1 . 2]" 1
321 1 43 VAL H 1 44 LYS H . . 4.580 4.422 4.402 4.441 . 0 0 "[ . 1 . 2]" 1
322 1 43 VAL MG2 1 44 LYS H . . 3.190 3.122 3.099 3.142 . 0 0 "[ . 1 . 2]" 1
323 1 44 LYS H 1 45 TRP HA . . 5.500 5.098 5.084 5.123 . 0 0 "[ . 1 . 2]" 1
324 1 44 LYS H 1 73 ALA HA . . 5.500 5.114 5.081 5.172 . 0 0 "[ . 1 . 2]" 1
325 1 44 LYS H 1 44 LYS HG3 . . 4.130 3.809 3.759 3.887 . 0 0 "[ . 1 . 2]" 1
326 1 46 LYS HG3 1 47 GLN H . . 5.180 5.048 4.955 5.096 . 0 0 "[ . 1 . 2]" 1
327 1 46 LYS HB3 1 47 GLN H . . 3.010 2.809 2.481 2.931 . 0 0 "[ . 1 . 2]" 1
328 1 46 LYS HD2 1 47 GLN H . . 3.690 3.687 3.669 3.701 0.011 15 0 "[ . 1 . 2]" 1
329 1 47 GLN H 1 71 VAL MG1 . . 3.890 3.748 3.598 3.894 0.004 7 0 "[ . 1 . 2]" 1
330 1 48 CYS H 1 69 SER QB . . 5.490 5.267 5.177 5.347 . 0 0 "[ . 1 . 2]" 1
331 1 48 CYS H 1 72 CYS H . . 5.500 4.235 4.052 4.327 . 0 0 "[ . 1 . 2]" 1
332 1 49 ASP H 1 50 GLY H . . 4.580 4.468 4.458 4.472 . 0 0 "[ . 1 . 2]" 1
333 1 49 ASP H 1 71 VAL HA . . 4.420 4.434 4.422 4.445 0.025 2 0 "[ . 1 . 2]" 1
334 1 49 ASP H 1 70 SER HB2 . . 4.680 3.787 2.824 4.661 . 0 0 "[ . 1 . 2]" 1
335 1 49 ASP H 1 49 ASP HB3 . . 3.660 2.705 2.464 3.046 . 0 0 "[ . 1 . 2]" 1
336 1 49 ASP H 1 49 ASP HB2 . . 3.660 2.489 2.134 3.591 . 0 0 "[ . 1 . 2]" 1
337 1 47 GLN HB3 1 49 ASP H . . 4.320 3.113 3.022 3.182 . 0 0 "[ . 1 . 2]" 1
338 1 49 ASP HA 1 50 GLY H . . 2.950 2.143 2.142 2.145 . 0 0 "[ . 1 . 2]" 1
339 1 49 ASP HB2 1 50 GLY H . . 4.730 4.316 3.521 4.529 . 0 0 "[ . 1 . 2]" 1
340 1 42 LEU MD1 1 51 ARG H . . 4.640 4.091 3.988 4.181 . 0 0 "[ . 1 . 2]" 1
341 1 51 ARG H 1 52 GLU QB . . 4.530 4.401 4.359 4.499 . 0 0 "[ . 1 . 2]" 1
342 1 51 ARG H 1 51 ARG HB3 . . 3.960 3.707 3.670 3.752 . 0 0 "[ . 1 . 2]" 1
343 1 48 CYS HB2 1 51 ARG H . . 4.950 4.865 4.821 4.922 . 0 0 "[ . 1 . 2]" 1
344 1 51 ARG H 1 52 GLU HA . . 5.500 4.460 4.440 4.506 . 0 0 "[ . 1 . 2]" 1
345 1 42 LEU MD1 1 52 GLU H . . 4.980 4.934 4.817 5.011 0.031 7 0 "[ . 1 . 2]" 1
346 1 51 ARG HB3 1 52 GLU H . . 4.780 4.443 4.407 4.493 . 0 0 "[ . 1 . 2]" 1
347 1 53 ARG H 1 54 ASP H . . 3.160 2.342 1.958 2.434 . 0 0 "[ . 1 . 2]" 1
348 1 54 ASP H 1 54 ASP HB2 . . 3.210 2.518 2.132 2.619 . 0 0 "[ . 1 . 2]" 1
349 1 54 ASP H 1 54 ASP HB3 . . 3.210 3.098 2.996 3.195 . 0 0 "[ . 1 . 2]" 1
350 1 51 ARG HB3 1 54 ASP H . . 3.620 3.268 3.135 3.473 . 0 0 "[ . 1 . 2]" 1
351 1 53 ARG HG3 1 54 ASP H . . 5.130 4.678 3.758 5.097 . 0 0 "[ . 1 . 2]" 1
352 1 52 GLU HA 1 54 ASP H . . 4.510 3.976 3.893 4.472 . 0 0 "[ . 1 . 2]" 1
353 1 52 GLU H 1 54 ASP H . . 4.770 4.191 3.876 4.268 . 0 0 "[ . 1 . 2]" 1
354 1 53 ARG H 1 55 CYS H . . 4.450 4.111 3.751 4.181 . 0 0 "[ . 1 . 2]" 1
355 1 41 CYS HA 1 56 CYS H . . 4.880 4.635 4.575 4.729 . 0 0 "[ . 1 . 2]" 1
356 1 42 LEU HG 1 56 CYS H . . 4.410 4.379 4.297 4.430 0.020 15 0 "[ . 1 . 2]" 1
357 1 43 VAL H 1 56 CYS H . . 5.120 5.024 4.969 5.071 . 0 0 "[ . 1 . 2]" 1
358 1 59 LEU H 1 59 LEU HB2 . . 3.310 2.230 2.119 2.283 . 0 0 "[ . 1 . 2]" 1
359 1 56 CYS H 1 59 LEU HB2 . . 4.060 3.090 3.011 3.160 . 0 0 "[ . 1 . 2]" 1
360 1 56 CYS H 1 59 LEU HB3 . . 4.170 3.966 3.539 4.143 . 0 0 "[ . 1 . 2]" 1
361 1 43 VAL MG1 1 56 CYS H . . 5.190 5.155 5.038 5.193 0.003 14 0 "[ . 1 . 2]" 1
362 1 58 GLY H 1 59 LEU H . . 3.050 2.619 2.517 2.701 . 0 0 "[ . 1 . 2]" 1
363 1 75 ILE H 1 75 ILE MD . . 3.710 3.707 3.700 3.715 0.005 16 0 "[ . 1 . 2]" 1
364 1 57 ALA MB 1 59 LEU H . . 5.500 4.381 4.273 4.486 . 0 0 "[ . 1 . 2]" 1
365 1 59 LEU HB3 1 60 GLU H . . 3.090 2.311 2.157 2.717 . 0 0 "[ . 1 . 2]" 1
366 1 59 LEU HG 1 60 GLU H . . 5.500 4.076 2.392 4.669 . 0 0 "[ . 1 . 2]" 1
367 1 52 GLU QG 1 61 CYS H . . 5.500 5.404 5.193 5.551 0.051 19 0 "[ . 1 . 2]" 1
368 1 61 CYS H 1 72 CYS HA . . 5.070 4.969 4.926 5.047 . 0 0 "[ . 1 . 2]" 1
369 1 61 CYS HA 1 62 TRP H . . 3.100 2.214 2.203 2.234 . 0 0 "[ . 1 . 2]" 1
370 1 60 GLU HG2 1 61 CYS H . . 4.480 4.301 4.063 4.467 . 0 0 "[ . 1 . 2]" 1
371 1 60 GLU HG3 1 61 CYS H . . 3.860 3.630 3.310 3.835 . 0 0 "[ . 1 . 2]" 1
372 1 60 GLU HG3 1 62 TRP H . . 4.920 4.252 3.923 4.404 . 0 0 "[ . 1 . 2]" 1
373 1 62 TRP H 1 63 LYS H . . 4.690 4.545 4.504 4.566 . 0 0 "[ . 1 . 2]" 1
374 1 61 CYS HB2 1 62 TRP H . . 4.810 4.610 4.588 4.627 . 0 0 "[ . 1 . 2]" 1
375 1 62 TRP HE1 1 73 ALA MB . . 4.710 4.643 4.595 4.715 0.005 17 0 "[ . 1 . 2]" 1
376 1 64 ARG HA 1 65 SER H . . 2.700 2.164 2.145 2.187 . 0 0 "[ . 1 . 2]" 1
377 1 64 ARG QD 1 65 SER H . . 5.390 5.316 5.240 5.396 0.006 1 0 "[ . 1 . 2]" 1
378 1 64 ARG HG3 1 65 SER H . . 4.430 4.172 3.970 4.273 . 0 0 "[ . 1 . 2]" 1
379 1 66 GLY H 1 67 ASN HA . . 5.030 4.842 4.835 4.862 . 0 0 "[ . 1 . 2]" 1
380 1 47 GLN HG3 1 69 SER H . . 5.340 5.330 5.226 5.353 0.013 15 0 "[ . 1 . 2]" 1
381 1 68 LYS QD 1 69 SER H . . 4.260 3.503 2.559 4.174 . 0 0 "[ . 1 . 2]" 1
382 1 27 ARG QG 1 31 PHE H . . 5.370 4.657 2.860 5.375 0.005 12 0 "[ . 1 . 2]" 1
383 1 37 ILE MD 1 40 PHE H . . 5.440 5.453 5.382 5.474 0.034 20 0 "[ . 1 . 2]" 1
384 1 42 LEU MD1 1 49 ASP H . . 5.500 5.397 5.193 5.506 0.006 19 0 "[ . 1 . 2]" 1
385 1 49 ASP H 1 71 VAL MG1 . . 5.500 5.413 5.387 5.450 . 0 0 "[ . 1 . 2]" 1
386 1 62 TRP HB2 1 71 VAL H . . 5.020 5.008 4.895 5.039 0.019 19 0 "[ . 1 . 2]" 1
387 1 44 LYS HA 1 72 CYS H . . 3.980 3.994 3.981 4.006 0.026 6 0 "[ . 1 . 2]" 1
388 1 62 TRP HE3 1 72 CYS H . . 5.040 5.025 4.971 5.063 0.023 17 0 "[ . 1 . 2]" 1
389 1 68 LYS H 1 68 LYS QD . . 5.500 4.959 4.141 5.453 . 0 0 "[ . 1 . 2]" 1
390 1 63 LYS HA 1 64 ARG H . . 2.780 2.196 2.188 2.203 . 0 0 "[ . 1 . 2]" 1
391 1 62 TRP HA 1 64 ARG H . . 5.420 5.423 5.402 5.432 0.012 4 0 "[ . 1 . 2]" 1
392 1 64 ARG H 1 64 ARG QD . . 4.160 4.150 4.067 4.176 0.016 9 0 "[ . 1 . 2]" 1
393 1 62 TRP HE1 1 63 LYS H . . 4.680 4.149 4.076 4.306 . 0 0 "[ . 1 . 2]" 1
394 1 63 LYS QG 1 64 ARG H . . 3.840 3.703 3.483 3.843 0.003 18 0 "[ . 1 . 2]" 1
395 1 53 ARG H 1 53 ARG HD2 . . 5.500 4.879 3.096 5.365 . 0 0 "[ . 1 . 2]" 1
396 1 53 ARG H 1 61 CYS HB2 . . 5.500 5.503 5.446 5.517 0.017 15 0 "[ . 1 . 2]" 1
397 1 53 ARG H 1 53 ARG HD3 . . 5.500 4.809 2.063 5.392 . 0 0 "[ . 1 . 2]" 1
398 1 53 ARG HB3 1 54 ASP H . . 4.640 4.496 4.195 4.656 0.016 19 0 "[ . 1 . 2]" 1
399 1 53 ARG HG2 1 54 ASP H . . 5.130 4.858 3.607 5.166 0.036 3 0 "[ . 1 . 2]" 1
400 1 52 GLU QB 1 54 ASP H . . 5.190 5.035 4.985 5.188 . 0 0 "[ . 1 . 2]" 1
401 1 46 LYS H 1 59 LEU MD2 . . 5.500 5.091 4.242 5.463 . 0 0 "[ . 1 . 2]" 1
402 1 46 LYS H 1 46 LYS HB2 . . 3.080 2.435 2.388 2.539 . 0 0 "[ . 1 . 2]" 1
403 1 46 LYS H 1 46 LYS HG3 . . 3.910 3.918 3.843 3.937 0.027 4 0 "[ . 1 . 2]" 1
404 1 46 LYS H 1 46 LYS HG2 . . 3.520 3.470 3.337 3.506 . 0 0 "[ . 1 . 2]" 1
405 1 46 LYS H 1 46 LYS HD2 . . 5.500 5.225 5.194 5.267 . 0 0 "[ . 1 . 2]" 1
406 1 45 TRP H 1 72 CYS HB3 . . 5.110 5.115 5.082 5.133 0.023 5 0 "[ . 1 . 2]" 1
407 1 45 TRP H 1 46 LYS HB2 . . 4.170 3.808 3.764 3.964 . 0 0 "[ . 1 . 2]" 1
408 1 5 ILE MD 1 11 CYS H . . 5.500 5.381 4.991 5.509 0.009 7 0 "[ . 1 . 2]" 1
409 1 21 GLY H 1 40 PHE QE . . 3.810 3.581 3.258 3.790 . 0 0 "[ . 1 . 2]" 1
410 1 43 VAL HA 1 43 VAL HB . . 2.910 2.493 2.491 2.496 . 0 0 "[ . 1 . 2]" 1
411 1 38 PRO HA 1 39 GLY HA2 . . 4.850 4.406 4.390 4.412 . 0 0 "[ . 1 . 2]" 1
412 1 38 PRO HA 1 39 GLY HA3 . . 4.850 4.426 4.395 4.441 . 0 0 "[ . 1 . 2]" 1
413 1 40 PHE HA 1 40 PHE QD . . 3.310 2.734 2.665 2.830 . 0 0 "[ . 1 . 2]" 1
414 1 37 ILE MD 1 40 PHE HB3 . . 4.520 4.501 4.396 4.541 0.021 18 0 "[ . 1 . 2]" 1
415 1 37 ILE HB 1 40 PHE HB3 . . 3.620 3.219 3.177 3.281 . 0 0 "[ . 1 . 2]" 1
416 1 40 PHE H 1 40 PHE HB3 . . 3.340 2.309 2.292 2.327 . 0 0 "[ . 1 . 2]" 1
417 1 40 PHE H 1 40 PHE HB2 . . 3.350 2.774 2.754 2.795 . 0 0 "[ . 1 . 2]" 1
418 1 40 PHE QD 1 41 CYS HA . . 5.500 3.935 3.758 4.018 . 0 0 "[ . 1 . 2]" 1
419 1 42 LEU HB3 1 55 CYS HA . . 3.720 3.601 3.593 3.643 . 0 0 "[ . 1 . 2]" 1
420 1 42 LEU HB2 1 55 CYS HA . . 3.570 1.998 1.980 2.031 . 0 0 "[ . 1 . 2]" 1
421 1 42 LEU HA 1 46 LYS HB3 . . 4.430 4.339 4.030 4.471 0.041 15 0 "[ . 1 . 2]" 1
422 1 42 LEU HB2 1 46 LYS HB3 . . 4.600 4.532 4.395 4.618 0.018 7 0 "[ . 1 . 2]" 1
423 1 42 LEU HA 1 43 VAL HA . . 4.580 4.405 4.382 4.453 . 0 0 "[ . 1 . 2]" 1
424 1 43 VAL HA 1 44 LYS H . . 2.990 2.635 2.626 2.650 . 0 0 "[ . 1 . 2]" 1
425 1 43 VAL HA 1 44 LYS HA . . 4.510 4.333 4.328 4.337 . 0 0 "[ . 1 . 2]" 1
426 1 43 VAL HA 1 43 VAL MG1 . . 2.720 2.346 2.295 2.364 . 0 0 "[ . 1 . 2]" 1
427 1 43 VAL HA 1 59 LEU MD1 . . 4.430 2.391 1.948 3.519 . 0 0 "[ . 1 . 2]" 1
428 1 43 VAL HB 1 59 LEU MD1 . . 4.840 4.047 3.785 4.634 . 0 0 "[ . 1 . 2]" 1
429 1 43 VAL HB 1 44 LYS QB . . 4.330 4.292 4.206 4.340 0.010 1 0 "[ . 1 . 2]" 1
430 1 44 LYS HA 1 44 LYS HG2 . . 3.650 3.572 3.564 3.580 . 0 0 "[ . 1 . 2]" 1
431 1 43 VAL MG2 1 44 LYS HA . . 4.300 4.290 4.258 4.315 0.015 5 0 "[ . 1 . 2]" 1
432 1 44 LYS HA 1 72 CYS HB2 . . 3.810 3.700 3.475 3.820 0.010 14 0 "[ . 1 . 2]" 1
433 1 44 LYS HA 1 73 ALA HA . . 3.520 2.746 2.699 2.810 . 0 0 "[ . 1 . 2]" 1
434 1 44 LYS QB 1 73 ALA HA . . 4.220 2.258 2.180 2.302 . 0 0 "[ . 1 . 2]" 1
435 1 44 LYS H 1 44 LYS QB . . 2.890 2.559 2.489 2.613 . 0 0 "[ . 1 . 2]" 1
436 1 44 LYS HA 1 45 TRP H . . 3.350 3.236 3.221 3.260 . 0 0 "[ . 1 . 2]" 1
437 1 45 TRP HA 1 45 TRP HE3 . . 3.190 2.534 2.366 3.085 . 0 0 "[ . 1 . 2]" 1
438 1 46 LYS HB2 1 47 GLN H . . 4.240 4.047 3.765 4.135 . 0 0 "[ . 1 . 2]" 1
439 1 46 LYS H 1 46 LYS HB3 . . 3.670 3.631 3.598 3.714 0.044 7 0 "[ . 1 . 2]" 1
440 1 44 LYS HA 1 45 TRP HA . . 4.640 4.486 4.482 4.495 . 0 0 "[ . 1 . 2]" 1
441 1 45 TRP HA 1 71 VAL MG1 . . 3.550 3.498 3.406 3.566 0.016 17 0 "[ . 1 . 2]" 1
442 1 43 VAL MG2 1 46 LYS HB2 . . 3.340 2.267 2.097 2.754 . 0 0 "[ . 1 . 2]" 1
443 1 42 LEU MD1 1 46 LYS HB3 . . 4.020 3.657 3.587 3.778 . 0 0 "[ . 1 . 2]" 1
444 1 43 VAL MG2 1 46 LYS HB3 . . 4.290 3.576 3.478 3.819 . 0 0 "[ . 1 . 2]" 1
445 1 42 LEU HB3 1 46 LYS HB3 . . 4.310 2.875 2.697 2.971 . 0 0 "[ . 1 . 2]" 1
446 1 37 ILE MG 1 38 PRO HD2 . . 3.200 1.925 1.905 1.965 . 0 0 "[ . 1 . 2]" 1
447 1 40 PHE HZ 1 42 LEU HG . . 4.410 4.413 4.339 4.432 0.022 16 0 "[ . 1 . 2]" 1
448 1 43 VAL MG2 1 46 LYS HE3 . . 4.080 3.824 3.605 4.220 0.140 15 0 "[ . 1 . 2]" 1
449 1 43 VAL HA 1 43 VAL MG2 . . 3.310 3.187 3.184 3.193 . 0 0 "[ . 1 . 2]" 1
450 1 42 LEU HA 1 43 VAL MG2 . . 3.900 3.876 3.824 3.898 . 0 0 "[ . 1 . 2]" 1
451 1 42 LEU HA 1 43 VAL MG1 . . 3.590 3.506 3.470 3.563 . 0 0 "[ . 1 . 2]" 1
452 1 43 VAL MG1 1 44 LYS H . . 3.470 3.440 3.425 3.453 . 0 0 "[ . 1 . 2]" 1
453 1 43 VAL H 1 43 VAL MG1 . . 2.980 2.829 2.753 2.969 . 0 0 "[ . 1 . 2]" 1
454 1 64 ARG HA 1 64 ARG HG2 . . 3.860 2.736 2.690 2.843 . 0 0 "[ . 1 . 2]" 1
455 1 59 LEU H 1 59 LEU HG . . 4.590 3.290 2.807 4.572 . 0 0 "[ . 1 . 2]" 1
456 1 44 LYS QE 1 44 LYS HG2 . . 3.480 2.457 2.017 2.624 . 0 0 "[ . 1 . 2]" 1
457 1 44 LYS QE 1 44 LYS HG3 . . 3.390 2.505 2.232 3.202 . 0 0 "[ . 1 . 2]" 1
458 1 7 LYS QD 1 22 LEU MD2 . . 5.500 2.191 1.839 3.459 . 0 0 "[ . 1 . 2]" 1
459 1 44 LYS H 1 44 LYS HD3 . . 4.460 2.418 2.072 3.451 . 0 0 "[ . 1 . 2]" 1
460 1 43 VAL MG2 1 46 LYS HG2 . . 3.080 2.327 2.157 2.400 . 0 0 "[ . 1 . 2]" 1
461 1 42 LEU HB3 1 46 LYS HG2 . . 4.840 4.815 4.491 4.856 0.016 19 0 "[ . 1 . 2]" 1
462 1 43 VAL MG2 1 46 LYS HG3 . . 3.100 1.892 1.863 1.916 . 0 0 "[ . 1 . 2]" 1
463 1 42 LEU MD2 1 46 LYS HD2 . . 3.580 3.120 2.835 3.368 . 0 0 "[ . 1 . 2]" 1
464 1 46 LYS HA 1 46 LYS HD2 . . 3.710 3.489 3.437 3.606 . 0 0 "[ . 1 . 2]" 1
465 1 43 VAL MG2 1 46 LYS HD3 . . 4.230 3.999 3.808 4.057 . 0 0 "[ . 1 . 2]" 1
466 1 46 LYS HA 1 46 LYS HD3 . . 3.530 3.019 2.951 3.073 . 0 0 "[ . 1 . 2]" 1
467 1 46 LYS HD3 1 47 GLN H . . 4.170 3.809 3.582 3.924 . 0 0 "[ . 1 . 2]" 1
468 1 43 VAL MG2 1 46 LYS HE2 . . 4.080 3.247 2.980 3.452 . 0 0 "[ . 1 . 2]" 1
469 1 46 LYS HA 1 47 GLN HB2 . . 4.530 4.365 4.334 4.392 . 0 0 "[ . 1 . 2]" 1
470 1 47 GLN HB3 1 71 VAL MG1 . . 4.970 4.786 4.728 4.877 . 0 0 "[ . 1 . 2]" 1
471 1 47 GLN HA 1 47 GLN HG2 . . 3.840 2.786 2.660 2.885 . 0 0 "[ . 1 . 2]" 1
472 1 47 GLN HA 1 47 GLN HG3 . . 3.740 2.281 2.213 2.376 . 0 0 "[ . 1 . 2]" 1
473 1 47 GLN HG2 1 49 ASP H . . 3.670 3.573 3.453 3.673 0.003 19 0 "[ . 1 . 2]" 1
474 1 47 GLN HG3 1 49 ASP H . . 4.900 4.812 4.676 4.901 0.001 16 0 "[ . 1 . 2]" 1
475 1 47 GLN HE21 1 47 GLN HG3 . . 3.670 2.333 2.165 2.523 . 0 0 "[ . 1 . 2]" 1
476 1 48 CYS HB2 1 61 CYS HB2 . . 3.920 3.207 3.074 3.269 . 0 0 "[ . 1 . 2]" 1
477 1 48 CYS HB3 1 52 GLU HA . . 4.650 4.583 4.463 4.659 0.009 19 0 "[ . 1 . 2]" 1
478 1 49 ASP HA 1 50 GLY HA3 . . 4.570 4.389 4.386 4.390 . 0 0 "[ . 1 . 2]" 1
479 1 51 ARG HB2 1 54 ASP H . . 4.450 4.460 4.354 4.503 0.053 1 0 "[ . 1 . 2]" 1
480 1 42 LEU MD1 1 51 ARG HB2 . . 3.870 2.022 1.943 2.106 . 0 0 "[ . 1 . 2]" 1
481 1 53 ARG HA 1 53 ARG HG2 . . 3.600 2.842 2.441 3.701 0.101 12 0 "[ . 1 . 2]" 1
482 1 51 ARG HB3 1 51 ARG HD3 . . 3.700 3.199 2.312 3.658 . 0 0 "[ . 1 . 2]" 1
483 1 51 ARG HA 1 51 ARG HG2 . . 4.020 3.321 2.832 3.606 . 0 0 "[ . 1 . 2]" 1
484 1 42 LEU MD1 1 51 ARG HG3 . . 3.860 3.112 2.599 3.797 . 0 0 "[ . 1 . 2]" 1
485 1 52 GLU HA 1 52 GLU QG . . 3.490 3.341 3.334 3.436 . 0 0 "[ . 1 . 2]" 1
486 1 52 GLU HA 1 61 CYS HB2 . . 3.500 2.492 2.382 2.541 . 0 0 "[ . 1 . 2]" 1
487 1 48 CYS HB2 1 52 GLU HA . . 3.750 2.843 2.722 2.932 . 0 0 "[ . 1 . 2]" 1
488 1 53 ARG HB2 1 54 ASP H . . 4.640 4.031 3.043 4.553 . 0 0 "[ . 1 . 2]" 1
489 1 53 ARG H 1 53 ARG HB2 . . 3.820 2.946 2.685 3.825 0.005 12 0 "[ . 1 . 2]" 1
490 1 15 LYS H 1 15 LYS QD . . 4.580 3.328 1.949 4.152 . 0 0 "[ . 1 . 2]" 1
491 1 53 ARG H 1 53 ARG HB3 . . 3.820 3.696 2.855 3.817 . 0 0 "[ . 1 . 2]" 1
492 1 53 ARG HA 1 53 ARG HD2 . . 5.500 4.669 3.917 5.436 . 0 0 "[ . 1 . 2]" 1
493 1 53 ARG HA 1 53 ARG HD3 . . 5.500 4.473 3.866 5.471 . 0 0 "[ . 1 . 2]" 1
494 1 51 ARG HB3 1 54 ASP HB2 . . 4.190 2.232 2.151 2.301 . 0 0 "[ . 1 . 2]" 1
495 1 42 LEU MD1 1 54 ASP HB2 . . 3.500 3.425 3.275 3.503 0.003 14 0 "[ . 1 . 2]" 1
496 1 42 LEU HB2 1 55 CYS HB2 . . 4.480 4.103 4.034 4.311 . 0 0 "[ . 1 . 2]" 1
497 1 55 CYS HB2 1 59 LEU HB2 . . 3.490 2.922 2.666 3.527 0.037 14 0 "[ . 1 . 2]" 1
498 1 55 CYS HB2 1 56 CYS H . . 3.910 3.479 3.437 3.654 . 0 0 "[ . 1 . 2]" 1
499 1 55 CYS HB2 1 59 LEU HG . . 5.050 4.891 4.404 5.106 0.056 3 0 "[ . 1 . 2]" 1
500 1 55 CYS HB2 1 59 LEU HB3 . . 3.530 2.864 2.344 3.154 . 0 0 "[ . 1 . 2]" 1
501 1 55 CYS H 1 55 CYS HB3 . . 3.710 3.588 3.587 3.590 . 0 0 "[ . 1 . 2]" 1
502 1 42 LEU HB2 1 55 CYS HB3 . . 4.250 2.895 2.811 3.199 . 0 0 "[ . 1 . 2]" 1
503 1 41 CYS HB2 1 56 CYS HA . . 3.180 2.134 2.082 2.227 . 0 0 "[ . 1 . 2]" 1
504 1 41 CYS HB3 1 56 CYS HA . . 3.180 2.946 2.771 3.146 . 0 0 "[ . 1 . 2]" 1
505 1 56 CYS HA 1 57 ALA HA . . 4.360 4.318 4.314 4.325 . 0 0 "[ . 1 . 2]" 1
506 1 42 LEU H 1 56 CYS HA . . 4.200 3.583 3.538 3.678 . 0 0 "[ . 1 . 2]" 1
507 1 56 CYS HA 1 57 ALA MB . . 4.340 4.205 4.148 4.249 . 0 0 "[ . 1 . 2]" 1
508 1 57 ALA HA 1 59 LEU H . . 3.690 3.469 3.378 3.570 . 0 0 "[ . 1 . 2]" 1
509 1 57 ALA HA 1 58 GLY H . . 2.790 2.158 2.145 2.178 . 0 0 "[ . 1 . 2]" 1
510 1 57 ALA MB 1 58 GLY H . . 3.410 3.128 2.992 3.275 . 0 0 "[ . 1 . 2]" 1
511 1 57 ALA MB 1 58 GLY HA2 . . 4.430 4.320 4.284 4.387 . 0 0 "[ . 1 . 2]" 1
512 1 56 CYS HB3 1 57 ALA MB . . 3.800 3.698 3.649 3.792 . 0 0 "[ . 1 . 2]" 1
513 1 58 GLY HA2 1 75 ILE MD . . 4.620 4.341 4.120 4.435 . 0 0 "[ . 1 . 2]" 1
514 1 58 GLY HA3 1 75 ILE MD . . 4.620 4.503 4.359 4.583 . 0 0 "[ . 1 . 2]" 1
515 1 59 LEU HB3 1 59 LEU MD2 . . 3.510 2.339 2.300 2.414 . 0 0 "[ . 1 . 2]" 1
516 1 18 CYS HB3 1 22 LEU HB3 . . 4.140 2.968 2.774 3.047 . 0 0 "[ . 1 . 2]" 1
517 1 55 CYS HB3 1 59 LEU HB2 . . 3.130 2.426 2.146 2.848 . 0 0 "[ . 1 . 2]" 1
518 1 59 LEU H 1 59 LEU HB3 . . 4.020 3.447 3.146 3.556 . 0 0 "[ . 1 . 2]" 1
519 1 59 LEU HB2 1 60 GLU H . . 4.160 3.676 3.574 3.938 . 0 0 "[ . 1 . 2]" 1
520 1 43 VAL HB 1 59 LEU MD2 . . 4.840 4.495 3.936 4.742 . 0 0 "[ . 1 . 2]" 1
521 1 43 VAL HA 1 59 LEU MD2 . . 4.430 3.290 2.128 3.747 . 0 0 "[ . 1 . 2]" 1
522 1 44 LYS H 1 59 LEU MD1 . . 3.670 3.070 2.947 3.178 . 0 0 "[ . 1 . 2]" 1
523 1 59 LEU H 1 59 LEU MD1 . . 4.060 3.711 3.280 3.910 . 0 0 "[ . 1 . 2]" 1
524 1 19 CYS H 1 22 LEU MD1 . . 3.950 3.821 3.637 3.950 0.000 18 0 "[ . 1 . 2]" 1
525 1 8 TRP H 1 22 LEU MD1 . . 4.450 3.758 3.437 4.004 . 0 0 "[ . 1 . 2]" 1
526 1 45 TRP H 1 59 LEU MD1 . . 5.100 4.553 4.349 4.936 . 0 0 "[ . 1 . 2]" 1
527 1 44 LYS H 1 59 LEU MD2 . . 3.670 3.156 3.088 3.227 . 0 0 "[ . 1 . 2]" 1
528 1 59 LEU H 1 59 LEU MD2 . . 4.060 3.823 3.660 4.056 . 0 0 "[ . 1 . 2]" 1
529 1 59 LEU MD2 1 73 ALA H . . 4.580 3.283 2.910 4.194 . 0 0 "[ . 1 . 2]" 1
530 1 60 GLU H 1 60 GLU HG3 . . 4.240 3.962 3.767 4.114 . 0 0 "[ . 1 . 2]" 1
531 1 60 GLU HA 1 60 GLU HG3 . . 4.110 3.863 3.747 3.908 . 0 0 "[ . 1 . 2]" 1
532 1 52 GLU HA 1 61 CYS HB3 . . 4.240 4.201 4.083 4.288 0.048 3 0 "[ . 1 . 2]" 1
533 1 61 CYS H 1 61 CYS HB3 . . 3.290 2.787 2.722 2.841 . 0 0 "[ . 1 . 2]" 1
534 1 61 CYS HB3 1 62 TRP H . . 4.710 4.329 4.305 4.355 . 0 0 "[ . 1 . 2]" 1
535 1 52 GLU QG 1 61 CYS HB2 . . 4.100 4.074 4.000 4.118 0.018 20 0 "[ . 1 . 2]" 1
536 1 52 GLU QB 1 61 CYS HB2 . . 3.670 2.034 1.937 2.113 . 0 0 "[ . 1 . 2]" 1
537 1 62 TRP HB3 1 62 TRP HE3 . . 3.400 2.826 2.813 2.846 . 0 0 "[ . 1 . 2]" 1
538 1 62 TRP HB2 1 62 TRP HE3 . . 3.590 3.070 3.050 3.084 . 0 0 "[ . 1 . 2]" 1
539 1 62 TRP HB2 1 62 TRP HD1 . . 3.890 3.539 3.530 3.552 . 0 0 "[ . 1 . 2]" 1
540 1 62 TRP HB2 1 71 VAL MG2 . . 3.980 3.816 3.698 3.911 . 0 0 "[ . 1 . 2]" 1
541 1 60 GLU HG3 1 62 TRP HB2 . . 4.390 4.146 3.850 4.278 . 0 0 "[ . 1 . 2]" 1
542 1 3 GLU HA 1 4 CYS HB3 . . 4.460 4.365 4.205 4.465 0.005 6 0 "[ . 1 . 2]" 1
543 1 63 LYS H 1 63 LYS HB3 . . 3.520 2.840 2.649 2.939 . 0 0 "[ . 1 . 2]" 1
544 1 63 LYS HB3 1 64 ARG H . . 4.720 4.269 4.215 4.361 . 0 0 "[ . 1 . 2]" 1
545 1 63 LYS H 1 63 LYS HB2 . . 3.520 2.539 2.451 2.683 . 0 0 "[ . 1 . 2]" 1
546 1 63 LYS HB2 1 64 ARG H . . 4.720 4.609 4.552 4.632 . 0 0 "[ . 1 . 2]" 1
547 1 63 LYS H 1 63 LYS QG . . 4.190 4.050 3.997 4.157 . 0 0 "[ . 1 . 2]" 1
548 1 63 LYS HA 1 63 LYS QG . . 3.440 2.285 2.128 2.830 . 0 0 "[ . 1 . 2]" 1
549 1 63 LYS QE 1 63 LYS QG . . 3.270 2.327 1.972 2.630 . 0 0 "[ . 1 . 2]" 1
550 1 63 LYS HA 1 70 SER HA . . 5.500 3.486 3.151 3.633 . 0 0 "[ . 1 . 2]" 1
551 1 63 LYS H 1 63 LYS QE . . 4.820 4.663 3.784 4.852 0.032 2 0 "[ . 1 . 2]" 1
552 1 26 LYS HA 1 26 LYS QD . . 4.650 3.951 2.015 4.454 . 0 0 "[ . 1 . 2]" 1
553 1 64 ARG HA 1 64 ARG QD . . 4.000 3.911 3.822 3.978 . 0 0 "[ . 1 . 2]" 1
554 1 63 LYS HA 1 64 ARG HA . . 4.520 4.399 4.395 4.404 . 0 0 "[ . 1 . 2]" 1
555 1 64 ARG H 1 64 ARG HB2 . . 3.830 2.404 2.369 2.427 . 0 0 "[ . 1 . 2]" 1
556 1 62 TRP HE1 1 64 ARG HA . . 5.500 5.475 5.349 5.507 0.007 19 0 "[ . 1 . 2]" 1
557 1 62 TRP HZ3 1 64 ARG QD . . 3.580 3.141 3.061 3.295 . 0 0 "[ . 1 . 2]" 1
558 1 65 SER HA 1 66 GLY H . . 2.970 2.189 2.165 2.220 . 0 0 "[ . 1 . 2]" 1
559 1 65 SER HA 1 66 GLY HA2 . . 4.500 4.463 4.435 4.495 . 0 0 "[ . 1 . 2]" 1
560 1 67 ASN HB2 1 68 LYS H . . 4.200 3.087 2.438 4.009 . 0 0 "[ . 1 . 2]" 1
561 1 67 ASN H 1 67 ASN HB2 . . 3.740 2.645 2.374 3.754 0.014 14 0 "[ . 1 . 2]" 1
562 1 67 ASN HB3 1 68 LYS H . . 4.200 2.934 2.372 3.773 . 0 0 "[ . 1 . 2]" 1
563 1 67 ASN H 1 67 ASN HB3 . . 3.740 3.214 2.631 3.705 . 0 0 "[ . 1 . 2]" 1
564 1 68 LYS H 1 68 LYS HB2 . . 4.020 3.019 2.824 3.998 . 0 0 "[ . 1 . 2]" 1
565 1 68 LYS HB3 1 69 SER H . . 3.920 2.227 1.948 3.354 . 0 0 "[ . 1 . 2]" 1
566 1 68 LYS HA 1 69 SER QB . . 4.710 4.624 4.514 4.696 . 0 0 "[ . 1 . 2]" 1
567 1 68 LYS H 1 68 LYS HG2 . . 4.580 4.172 3.016 4.585 0.005 14 0 "[ . 1 . 2]" 1
568 1 68 LYS HA 1 68 LYS HG2 . . 3.880 2.455 2.132 3.836 . 0 0 "[ . 1 . 2]" 1
569 1 68 LYS QE 1 68 LYS HG2 . . 3.720 2.788 2.145 3.496 . 0 0 "[ . 1 . 2]" 1
570 1 68 LYS QE 1 68 LYS HG3 . . 3.720 2.729 2.088 3.496 . 0 0 "[ . 1 . 2]" 1
571 1 68 LYS HA 1 68 LYS HG3 . . 3.880 3.212 2.951 3.736 . 0 0 "[ . 1 . 2]" 1
572 1 68 LYS H 1 68 LYS HG3 . . 4.580 4.142 2.762 4.607 0.027 19 0 "[ . 1 . 2]" 1
573 1 69 SER QB 1 71 VAL MG1 . . 3.950 3.760 3.698 3.899 . 0 0 "[ . 1 . 2]" 1
574 1 47 GLN HB3 1 69 SER QB . . 4.950 4.924 4.818 4.959 0.009 19 0 "[ . 1 . 2]" 1
575 1 47 GLN HG2 1 69 SER QB . . 3.780 2.875 2.757 2.936 . 0 0 "[ . 1 . 2]" 1
576 1 47 GLN HG3 1 69 SER QB . . 3.490 3.157 3.056 3.243 . 0 0 "[ . 1 . 2]" 1
577 1 47 GLN HE21 1 69 SER QB . . 4.040 2.135 1.909 2.439 . 0 0 "[ . 1 . 2]" 1
578 1 70 SER H 1 70 SER HB2 . . 3.560 3.256 2.230 3.582 0.022 12 0 "[ . 1 . 2]" 1
579 1 45 TRP HA 1 71 VAL HB . . 3.520 3.496 3.471 3.520 0.000 16 0 "[ . 1 . 2]" 1
580 1 47 GLN HA 1 71 VAL HA . . 3.310 2.018 1.991 2.094 . 0 0 "[ . 1 . 2]" 1
581 1 45 TRP H 1 71 VAL HB . . 5.260 5.155 5.114 5.180 . 0 0 "[ . 1 . 2]" 1
582 1 64 ARG QD 1 71 VAL MG2 . . 3.440 2.524 2.333 2.841 . 0 0 "[ . 1 . 2]" 1
583 1 64 ARG HA 1 71 VAL MG2 . . 5.500 5.316 5.198 5.462 . 0 0 "[ . 1 . 2]" 1
584 1 45 TRP HA 1 71 VAL MG2 . . 3.990 3.996 3.963 4.007 0.017 20 0 "[ . 1 . 2]" 1
585 1 62 TRP HE3 1 71 VAL MG2 . . 2.910 2.623 2.449 2.743 . 0 0 "[ . 1 . 2]" 1
586 1 62 TRP HZ3 1 71 VAL MG2 . . 3.950 3.869 3.790 3.943 . 0 0 "[ . 1 . 2]" 1
587 1 71 VAL HA 1 71 VAL MG2 . . 3.620 3.184 3.177 3.198 . 0 0 "[ . 1 . 2]" 1
588 1 46 LYS H 1 71 VAL MG2 . . 5.500 5.014 4.790 5.101 . 0 0 "[ . 1 . 2]" 1
589 1 71 VAL H 1 71 VAL MG2 . . 3.050 1.952 1.910 2.120 . 0 0 "[ . 1 . 2]" 1
590 1 47 GLN HG2 1 71 VAL MG1 . . 4.140 3.944 3.841 4.059 . 0 0 "[ . 1 . 2]" 1
591 1 47 GLN HG3 1 71 VAL MG1 . . 3.520 2.850 2.751 2.974 . 0 0 "[ . 1 . 2]" 1
592 1 63 LYS HA 1 71 VAL MG2 . . 5.030 5.049 5.012 5.075 0.045 19 0 "[ . 1 . 2]" 1
593 1 46 LYS HA 1 71 VAL MG1 . . 4.040 3.844 3.637 3.936 . 0 0 "[ . 1 . 2]" 1
594 1 47 GLN HA 1 71 VAL MG1 . . 3.180 2.495 2.406 2.637 . 0 0 "[ . 1 . 2]" 1
595 1 70 SER HA 1 71 VAL MG1 . . 4.160 4.031 3.911 4.112 . 0 0 "[ . 1 . 2]" 1
596 1 45 TRP HE3 1 71 VAL MG1 . . 4.280 4.059 3.924 4.277 . 0 0 "[ . 1 . 2]" 1
597 1 59 LEU HB3 1 72 CYS HB3 . . 3.680 3.117 2.882 3.666 . 0 0 "[ . 1 . 2]" 1
598 1 59 LEU MD1 1 72 CYS HB3 . . 4.170 2.843 2.503 3.530 . 0 0 "[ . 1 . 2]" 1
599 1 59 LEU MD2 1 72 CYS HB3 . . 4.170 2.587 1.968 2.942 . 0 0 "[ . 1 . 2]" 1
600 1 34 CYS HA 1 35 VAL MG2 . . 3.670 3.540 3.325 3.677 0.007 7 0 "[ . 1 . 2]" 1
601 1 62 TRP HB3 1 73 ALA MB . . 3.270 3.062 2.994 3.193 . 0 0 "[ . 1 . 2]" 1
602 1 62 TRP HB2 1 73 ALA MB . . 3.240 1.957 1.944 1.969 . 0 0 "[ . 1 . 2]" 1
603 1 72 CYS HB3 1 73 ALA MB . . 4.710 4.653 4.643 4.665 . 0 0 "[ . 1 . 2]" 1
604 1 60 GLU HG3 1 73 ALA MB . . 4.140 4.087 3.976 4.141 0.001 10 0 "[ . 1 . 2]" 1
605 1 72 CYS HA 1 73 ALA MB . . 3.760 3.759 3.755 3.768 0.008 17 0 "[ . 1 . 2]" 1
606 1 62 TRP HA 1 73 ALA MB . . 3.990 4.001 3.985 4.037 0.047 4 0 "[ . 1 . 2]" 1
607 1 62 TRP HZ3 1 73 ALA MB . . 3.300 3.272 3.093 3.312 0.012 6 0 "[ . 1 . 2]" 1
608 1 62 TRP HE3 1 73 ALA HA . . 4.530 3.938 3.866 3.979 . 0 0 "[ . 1 . 2]" 1
609 1 62 TRP H 1 73 ALA MB . . 3.950 3.960 3.932 3.978 0.028 19 0 "[ . 1 . 2]" 1
610 1 60 GLU H 1 73 ALA MB . . 4.310 4.177 4.144 4.198 . 0 0 "[ . 1 . 2]" 1
611 1 62 TRP HE3 1 73 ALA MB . . 3.090 2.203 2.152 2.233 . 0 0 "[ . 1 . 2]" 1
612 1 44 LYS HG2 1 73 ALA HA . . 5.110 5.024 5.010 5.040 . 0 0 "[ . 1 . 2]" 1
613 1 59 LEU HA 1 74 PRO HA . . 3.520 2.161 2.147 2.185 . 0 0 "[ . 1 . 2]" 1
614 1 74 PRO HA 1 75 ILE HG12 . . 4.410 4.358 4.299 4.387 . 0 0 "[ . 1 . 2]" 1
615 1 59 LEU HB3 1 74 PRO HA . . 5.160 4.589 4.442 4.956 . 0 0 "[ . 1 . 2]" 1
616 1 74 PRO HA 1 75 ILE HG13 . . 5.500 5.005 4.942 5.046 . 0 0 "[ . 1 . 2]" 1
617 1 74 PRO HG2 1 75 ILE H . . 4.550 4.311 4.262 4.415 . 0 0 "[ . 1 . 2]" 1
618 1 73 ALA HA 1 74 PRO HD3 . . 3.070 2.312 2.299 2.321 . 0 0 "[ . 1 . 2]" 1
619 1 73 ALA MB 1 74 PRO HD3 . . 3.400 3.204 3.168 3.246 . 0 0 "[ . 1 . 2]" 1
620 1 75 ILE HA 1 76 THR MG . . 4.720 3.640 3.376 4.138 . 0 0 "[ . 1 . 2]" 1
621 1 74 PRO HB2 1 75 ILE HA . . 4.930 4.650 4.622 4.708 . 0 0 "[ . 1 . 2]" 1
622 1 74 PRO HB3 1 75 ILE HG12 . . 4.910 4.627 4.589 4.684 . 0 0 "[ . 1 . 2]" 1
623 1 74 PRO HB3 1 75 ILE HG13 . . 5.030 5.022 5.005 5.031 0.001 15 0 "[ . 1 . 2]" 1
624 1 75 ILE HA 1 75 ILE MD . . 4.290 4.159 4.152 4.167 . 0 0 "[ . 1 . 2]" 1
625 1 75 ILE HA 1 75 ILE MG . . 3.110 2.174 2.134 2.215 . 0 0 "[ . 1 . 2]" 1
626 1 75 ILE MG 1 76 THR HA . . 5.500 5.384 5.269 5.478 . 0 0 "[ . 1 . 2]" 1
627 1 74 PRO HA 1 75 ILE MG . . 4.400 4.054 4.018 4.080 . 0 0 "[ . 1 . 2]" 1
628 1 76 THR HA 1 76 THR MG . . 3.140 2.483 2.067 3.203 0.063 17 0 "[ . 1 . 2]" 1
629 1 76 THR H 1 76 THR HB . . 4.030 3.745 2.906 3.907 . 0 0 "[ . 1 . 2]" 1
630 1 25 TYR HB3 1 35 VAL MG1 . . 3.630 2.850 1.942 3.632 0.002 9 0 "[ . 1 . 2]" 1
631 1 35 VAL MG1 1 36 PRO HD3 . . 3.770 3.654 3.457 3.779 0.009 12 0 "[ . 1 . 2]" 1
632 1 8 TRP HZ3 1 35 VAL MG1 . . 3.480 3.472 3.400 3.488 0.008 10 0 "[ . 1 . 2]" 1
633 1 8 TRP HE3 1 35 VAL MG1 . . 4.150 3.978 3.690 4.155 0.005 4 0 "[ . 1 . 2]" 1
634 1 8 TRP HZ2 1 35 VAL MG1 . . 4.500 3.002 2.579 3.409 . 0 0 "[ . 1 . 2]" 1
635 1 35 VAL H 1 35 VAL MG1 . . 3.710 3.156 2.952 3.340 . 0 0 "[ . 1 . 2]" 1
636 1 8 TRP H 1 35 VAL MG1 . . 4.600 4.349 4.062 4.582 . 0 0 "[ . 1 . 2]" 1
637 1 25 TYR H 1 35 VAL MG1 . . 4.860 3.767 3.007 4.356 . 0 0 "[ . 1 . 2]" 1
638 1 60 GLU HG2 1 73 ALA MB . . 4.370 3.269 3.154 3.403 . 0 0 "[ . 1 . 2]" 1
639 1 3 GLU HA 1 3 GLU QG . . 3.340 2.727 2.293 3.350 0.010 10 0 "[ . 1 . 2]" 1
640 1 4 CYS HB2 1 19 CYS HA . . 3.250 2.332 2.109 2.436 . 0 0 "[ . 1 . 2]" 1
641 1 4 CYS H 1 4 CYS HB2 . . 3.870 3.733 3.633 3.837 . 0 0 "[ . 1 . 2]" 1
642 1 5 ILE HB 1 18 CYS HA . . 3.350 2.341 2.154 2.526 . 0 0 "[ . 1 . 2]" 1
643 1 5 ILE HA 1 6 ARG H . . 2.870 2.164 2.139 2.223 . 0 0 "[ . 1 . 2]" 1
644 1 5 ILE H 1 5 ILE MG . . 3.950 3.767 3.763 3.773 . 0 0 "[ . 1 . 2]" 1
645 1 5 ILE H 1 19 CYS HA . . 4.080 4.035 3.805 4.086 0.006 10 0 "[ . 1 . 2]" 1
646 1 20 GLU HB3 1 21 GLY H . . 4.620 4.344 4.266 4.404 . 0 0 "[ . 1 . 2]" 1
647 1 20 GLU HB3 1 40 PHE HZ . . 5.500 4.596 3.961 5.076 . 0 0 "[ . 1 . 2]" 1
648 1 20 GLU HB2 1 40 PHE HZ . . 5.500 5.118 4.815 5.468 . 0 0 "[ . 1 . 2]" 1
649 1 20 GLU HA 1 20 GLU HG2 . . 3.710 3.316 2.462 3.738 0.028 19 0 "[ . 1 . 2]" 1
650 1 20 GLU HA 1 20 GLU HG3 . . 3.710 2.594 2.352 3.553 . 0 0 "[ . 1 . 2]" 1
651 1 37 ILE HB 1 40 PHE QD . . 4.390 3.576 3.487 3.692 . 0 0 "[ . 1 . 2]" 1
652 1 9 LEU H 1 9 LEU HB3 . . 3.800 2.700 2.572 2.990 . 0 0 "[ . 1 . 2]" 1
653 1 37 ILE HA 1 38 PRO HD2 . . 3.350 2.080 2.021 2.104 . 0 0 "[ . 1 . 2]" 1
654 1 37 ILE HA 1 38 PRO HG3 . . 4.520 4.328 4.316 4.334 . 0 0 "[ . 1 . 2]" 1
655 1 37 ILE HA 1 38 PRO HG2 . . 4.370 4.257 4.210 4.276 . 0 0 "[ . 1 . 2]" 1
656 1 22 LEU HA 1 36 PRO HA . . 3.590 2.892 2.731 3.093 . 0 0 "[ . 1 . 2]" 1
657 1 36 PRO HA 1 37 ILE H . . 3.250 2.157 2.150 2.188 . 0 0 "[ . 1 . 2]" 1
658 1 22 LEU MD2 1 36 PRO HA . . 3.070 1.988 1.898 2.079 . 0 0 "[ . 1 . 2]" 1
659 1 33 VAL HA 1 34 CYS H . . 3.260 2.469 2.268 2.548 . 0 0 "[ . 1 . 2]" 1
660 1 11 CYS H 1 33 VAL HA . . 3.470 1.960 1.840 2.263 . 0 0 "[ . 1 . 2]" 1
661 1 5 ILE MD 1 17 ASP HB3 . . 4.110 3.830 2.785 4.112 0.002 16 0 "[ . 1 . 2]" 1
662 1 37 ILE MG 1 40 PHE QD . . 4.160 3.747 3.483 3.902 . 0 0 "[ . 1 . 2]" 1
663 1 37 ILE HA 1 37 ILE MG . . 2.980 2.402 2.356 2.417 . 0 0 "[ . 1 . 2]" 1
664 1 42 LEU MD1 1 48 CYS HA . . 3.600 2.849 2.641 2.970 . 0 0 "[ . 1 . 2]" 1
665 1 9 LEU HA 1 9 LEU MD2 . . 3.900 3.577 2.302 3.902 0.002 17 0 "[ . 1 . 2]" 1
666 1 42 LEU MD1 1 43 VAL H . . 4.560 4.344 4.119 4.493 . 0 0 "[ . 1 . 2]" 1
667 1 42 LEU MD1 1 48 CYS HB2 . . 4.340 4.243 4.051 4.359 0.019 7 0 "[ . 1 . 2]" 1
668 1 42 LEU HA 1 42 LEU MD1 . . 4.110 3.935 3.921 3.963 . 0 0 "[ . 1 . 2]" 1
669 1 42 LEU MD1 1 51 ARG HA . . 4.520 3.928 3.811 3.977 . 0 0 "[ . 1 . 2]" 1
670 1 44 LYS HG3 1 73 ALA HA . . 4.520 4.488 4.388 4.544 0.024 20 0 "[ . 1 . 2]" 1
671 1 44 LYS HG3 1 45 TRP H . . 4.860 4.507 4.340 4.603 . 0 0 "[ . 1 . 2]" 1
672 1 12 VAL HA 1 12 VAL MG1 . . 3.240 2.293 2.176 2.390 . 0 0 "[ . 1 . 2]" 1
673 1 26 LYS QE 1 26 LYS QG . . 3.460 2.293 2.025 2.691 . 0 0 "[ . 1 . 2]" 1
674 1 37 ILE HA 1 37 ILE HG13 . . 3.910 2.663 2.592 2.702 . 0 0 "[ . 1 . 2]" 1
675 1 26 LYS H 1 26 LYS QD . . 4.670 3.952 2.596 4.658 . 0 0 "[ . 1 . 2]" 1
676 1 7 LYS HB2 1 7 LYS QE . . 3.830 2.765 2.028 3.171 . 0 0 "[ . 1 . 2]" 1
677 1 21 GLY HA2 1 40 PHE QD . . 3.850 3.006 2.667 3.240 . 0 0 "[ . 1 . 2]" 1
678 1 10 SER H 1 33 VAL MG2 . . 4.410 4.367 3.828 4.615 0.205 9 0 "[ . 1 . 2]" 1
679 1 8 TRP HE3 1 33 VAL MG2 . . 4.290 2.185 1.913 3.837 . 0 0 "[ . 1 . 2]" 1
680 1 8 TRP H 1 33 VAL MG2 . . 5.500 3.519 2.909 5.358 . 0 0 "[ . 1 . 2]" 1
681 1 8 TRP HA 1 33 VAL HB . . 4.230 3.094 2.624 3.797 . 0 0 "[ . 1 . 2]" 1
682 1 22 LEU MD1 1 34 CYS HB2 . . 3.700 2.855 2.528 3.198 . 0 0 "[ . 1 . 2]" 1
683 1 34 CYS H 1 34 CYS HB2 . . 4.120 2.532 2.311 2.662 . 0 0 "[ . 1 . 2]" 1
684 1 6 ARG HB2 1 6 ARG QD . . 3.330 2.091 2.038 2.208 . 0 0 "[ . 1 . 2]" 1
685 1 6 ARG HA 1 6 ARG QD . . 3.700 3.420 3.306 3.650 . 0 0 "[ . 1 . 2]" 1
686 1 6 ARG HA 1 7 LYS HB2 . . 4.920 4.463 4.358 4.699 . 0 0 "[ . 1 . 2]" 1
687 1 6 ARG HA 1 6 ARG HG2 . . 3.540 3.491 3.382 3.546 0.006 2 0 "[ . 1 . 2]" 1
688 1 36 PRO HB3 1 37 ILE H . . 4.260 4.025 3.844 4.144 . 0 0 "[ . 1 . 2]" 1
689 1 16 ASN HB2 1 17 ASP H . . 4.370 3.680 3.038 4.222 . 0 0 "[ . 1 . 2]" 1
690 1 10 SER H 1 10 SER HB2 . . 4.110 3.587 3.082 4.047 . 0 0 "[ . 1 . 2]" 1
691 1 37 ILE MD 1 40 PHE QD . . 3.550 3.258 3.054 3.481 . 0 0 "[ . 1 . 2]" 1
692 1 37 ILE H 1 37 ILE MD . . 3.550 3.178 3.030 3.349 . 0 0 "[ . 1 . 2]" 1
693 1 22 LEU HA 1 37 ILE HG13 . . 4.660 2.841 2.682 3.087 . 0 0 "[ . 1 . 2]" 1
694 1 22 LEU HA 1 37 ILE MD . . 3.820 2.892 2.668 3.153 . 0 0 "[ . 1 . 2]" 1
695 1 23 GLU HA 1 37 ILE MD . . 4.210 3.663 3.187 4.025 . 0 0 "[ . 1 . 2]" 1
696 1 37 ILE HA 1 37 ILE MD . . 3.950 3.872 3.857 3.880 . 0 0 "[ . 1 . 2]" 1
697 1 21 GLY HA3 1 37 ILE MD . . 3.880 3.682 3.220 3.876 . 0 0 "[ . 1 . 2]" 1
698 1 37 ILE MD 1 38 PRO HD2 . . 5.140 4.775 4.719 4.894 . 0 0 "[ . 1 . 2]" 1
699 1 37 ILE MD 1 40 PHE HB2 . . 4.080 3.234 3.134 3.344 . 0 0 "[ . 1 . 2]" 1
700 1 37 ILE HB 1 37 ILE MD . . 3.140 2.159 2.054 2.289 . 0 0 "[ . 1 . 2]" 1
701 1 37 ILE HB 1 40 PHE HA . . 4.060 4.091 4.068 4.113 0.053 14 0 "[ . 1 . 2]" 1
702 1 28 ARG H 1 28 ARG QD . . 4.940 4.048 2.066 4.741 . 0 0 "[ . 1 . 2]" 1
703 1 28 ARG HA 1 28 ARG QD . . 3.930 3.236 1.995 3.914 . 0 0 "[ . 1 . 2]" 1
704 1 44 LYS HG2 1 45 TRP HA . . 4.430 4.088 3.983 4.255 . 0 0 "[ . 1 . 2]" 1
705 1 44 LYS H 1 44 LYS HG2 . . 3.970 2.476 2.306 2.585 . 0 0 "[ . 1 . 2]" 1
706 1 12 VAL HA 1 12 VAL MG2 . . 3.240 2.730 2.304 3.202 . 0 0 "[ . 1 . 2]" 1
707 1 20 GLU HG2 1 40 PHE HZ . . 3.820 2.555 2.036 3.821 0.001 11 0 "[ . 1 . 2]" 1
708 1 16 ASN HB3 1 17 ASP H . . 4.370 3.642 2.828 4.324 . 0 0 "[ . 1 . 2]" 1
709 1 16 ASN H 1 16 ASN HB3 . . 4.210 3.053 2.506 3.612 . 0 0 "[ . 1 . 2]" 1
710 1 16 ASN H 1 16 ASN HB2 . . 4.210 2.632 2.224 3.616 . 0 0 "[ . 1 . 2]" 1
711 1 22 LEU HA 1 22 LEU HG . . 4.070 3.168 3.128 3.217 . 0 0 "[ . 1 . 2]" 1
712 1 23 GLU HB3 1 37 ILE HG13 . . 4.660 3.759 2.684 4.580 . 0 0 "[ . 1 . 2]" 1
713 1 23 GLU HB2 1 37 ILE HG13 . . 4.660 3.339 2.254 4.502 . 0 0 "[ . 1 . 2]" 1
714 1 35 VAL MG1 1 36 PRO HD2 . . 3.450 2.887 2.666 3.049 . 0 0 "[ . 1 . 2]" 1
715 1 35 VAL MG2 1 36 PRO HD2 . . 3.880 3.653 3.595 3.761 . 0 0 "[ . 1 . 2]" 1
716 1 7 LYS QD 1 36 PRO HD2 . . 4.110 3.708 3.422 4.017 . 0 0 "[ . 1 . 2]" 1
717 1 35 VAL HA 1 36 PRO HD2 . . 3.230 2.398 2.305 2.437 . 0 0 "[ . 1 . 2]" 1
718 1 22 LEU HB2 1 22 LEU MD2 . . 3.560 3.187 3.179 3.192 . 0 0 "[ . 1 . 2]" 1
719 1 22 LEU HB2 1 23 GLU H . . 4.230 3.768 3.621 4.008 . 0 0 "[ . 1 . 2]" 1
720 1 18 CYS HB2 1 22 LEU HB2 . . 3.660 3.576 3.414 3.673 0.013 18 0 "[ . 1 . 2]" 1
721 1 22 LEU HB2 1 22 LEU MD1 . . 3.480 2.333 2.308 2.355 . 0 0 "[ . 1 . 2]" 1
722 1 37 ILE MG 1 40 PHE HB3 . . 3.780 3.808 3.777 3.824 0.044 14 0 "[ . 1 . 2]" 1
723 1 35 VAL HB 1 36 PRO HD2 . . 3.600 2.001 1.966 2.180 . 0 0 "[ . 1 . 2]" 1
724 1 35 VAL HB 1 36 PRO HD3 . . 3.690 3.451 3.421 3.607 . 0 0 "[ . 1 . 2]" 1
725 1 35 VAL HA 1 35 VAL MG1 . . 3.220 2.236 2.096 2.371 . 0 0 "[ . 1 . 2]" 1
726 1 35 VAL HA 1 35 VAL MG2 . . 3.400 3.191 3.181 3.199 . 0 0 "[ . 1 . 2]" 1
727 1 22 LEU MD2 1 35 VAL HA . . 4.190 3.290 3.110 3.390 . 0 0 "[ . 1 . 2]" 1
728 1 35 VAL MG2 1 36 PRO HD3 . . 4.710 4.548 4.497 4.617 . 0 0 "[ . 1 . 2]" 1
729 1 53 ARG H 1 53 ARG HG3 . . 3.840 2.807 1.949 3.822 . 0 0 "[ . 1 . 2]" 1
730 1 53 ARG HA 1 53 ARG HG3 . . 3.600 3.458 2.743 3.713 0.113 12 0 "[ . 1 . 2]" 1
731 1 5 ILE HA 1 5 ILE HG12 . . 4.150 2.736 2.612 2.938 . 0 0 "[ . 1 . 2]" 1
732 1 34 CYS HA 1 35 VAL MG1 . . 4.040 3.819 3.582 4.043 0.003 9 0 "[ . 1 . 2]" 1
733 1 25 TYR HB3 1 26 LYS H . . 4.270 3.622 3.025 4.024 . 0 0 "[ . 1 . 2]" 1
734 1 25 TYR H 1 25 TYR HB3 . . 3.800 2.635 2.457 2.851 . 0 0 "[ . 1 . 2]" 1
735 1 25 TYR HB3 1 35 VAL MG2 . . 3.530 3.216 1.885 3.565 0.035 20 0 "[ . 1 . 2]" 1
736 1 25 TYR HB2 1 35 VAL MG1 . . 3.630 2.381 1.899 3.650 0.020 11 0 "[ . 1 . 2]" 1
737 1 25 TYR HB2 1 35 VAL MG2 . . 3.530 2.056 1.877 3.159 . 0 0 "[ . 1 . 2]" 1
738 1 25 TYR HB2 1 26 LYS H . . 4.270 3.869 2.443 4.213 . 0 0 "[ . 1 . 2]" 1
739 1 25 TYR H 1 25 TYR HB2 . . 3.800 2.807 2.518 3.800 . 0 0 "[ . 1 . 2]" 1
740 1 26 LYS HA 1 26 LYS QG . . 3.620 2.722 2.179 3.344 . 0 0 "[ . 1 . 2]" 1
741 1 27 ARG QG 1 30 SER HB3 . . 3.940 3.257 1.970 3.940 0.000 10 0 "[ . 1 . 2]" 1
742 1 27 ARG QG 1 30 SER HB2 . . 3.940 3.297 2.437 3.937 . 0 0 "[ . 1 . 2]" 1
743 1 8 TRP HA 1 33 VAL MG1 . . 4.160 3.441 1.888 3.968 . 0 0 "[ . 1 . 2]" 1
744 1 8 TRP HE3 1 33 VAL MG1 . . 4.290 3.565 2.476 3.840 . 0 0 "[ . 1 . 2]" 1
745 1 33 VAL MG1 1 34 CYS H . . 4.030 3.494 1.977 3.932 . 0 0 "[ . 1 . 2]" 1
746 1 10 SER H 1 33 VAL MG1 . . 4.410 3.413 2.605 3.850 . 0 0 "[ . 1 . 2]" 1
747 1 8 TRP H 1 33 VAL MG1 . . 5.500 4.786 2.699 5.459 . 0 0 "[ . 1 . 2]" 1
748 1 5 ILE MD 1 11 CYS HA . . 3.320 3.181 2.731 3.349 0.029 4 0 "[ . 1 . 2]" 1
749 1 9 LEU H 1 9 LEU MD2 . . 4.610 4.335 3.944 4.558 . 0 0 "[ . 1 . 2]" 1
750 1 6 ARG HB3 1 6 ARG QD . . 3.400 3.234 3.182 3.352 . 0 0 "[ . 1 . 2]" 1
751 1 9 LEU H 1 9 LEU MD1 . . 4.610 4.405 4.235 4.637 0.027 8 0 "[ . 1 . 2]" 1
752 1 42 LEU HA 1 42 LEU MD2 . . 2.990 2.257 2.049 2.445 . 0 0 "[ . 1 . 2]" 1
753 1 5 ILE HA 1 5 ILE MG . . 3.200 2.316 2.248 2.350 . 0 0 "[ . 1 . 2]" 1
754 1 5 ILE MG 1 18 CYS HA . . 3.680 3.583 3.402 3.689 0.009 13 0 "[ . 1 . 2]" 1
755 1 55 CYS HB3 1 59 LEU HB3 . . 3.300 2.293 1.984 2.478 . 0 0 "[ . 1 . 2]" 1
756 1 55 CYS HB3 1 59 LEU HG . . 4.040 3.851 3.357 4.053 0.013 7 0 "[ . 1 . 2]" 1
757 1 34 CYS H 1 34 CYS HB3 . . 4.120 3.593 3.559 3.608 . 0 0 "[ . 1 . 2]" 1
758 1 19 CYS HB3 1 22 LEU HB3 . . 4.480 4.230 4.080 4.368 . 0 0 "[ . 1 . 2]" 1
759 1 19 CYS HA 1 20 GLU HB3 . . 5.200 5.086 4.950 5.211 0.011 19 0 "[ . 1 . 2]" 1
760 1 22 LEU H 1 22 LEU HB3 . . 4.030 3.755 3.703 3.785 . 0 0 "[ . 1 . 2]" 1
761 1 22 LEU HB3 1 23 GLU H . . 4.170 2.542 2.297 2.865 . 0 0 "[ . 1 . 2]" 1
762 1 19 CYS H 1 22 LEU HB3 . . 4.400 4.367 4.149 4.429 0.029 8 0 "[ . 1 . 2]" 1
763 1 25 TYR QE 1 27 ARG HA . . 4.620 3.826 1.995 4.595 . 0 0 "[ . 1 . 2]" 1
764 1 37 ILE MG 1 40 PHE HB2 . . 3.620 2.630 2.422 2.735 . 0 0 "[ . 1 . 2]" 1
765 1 48 CYS HB2 1 51 ARG HB2 . . 4.920 4.927 4.881 4.961 0.041 3 0 "[ . 1 . 2]" 1
766 1 51 ARG HB3 1 51 ARG HD2 . . 3.700 3.147 2.433 3.846 0.146 7 0 "[ . 1 . 2]" 1
767 1 57 ALA HA 1 58 GLY HA2 . . 4.600 4.413 4.385 4.434 . 0 0 "[ . 1 . 2]" 1
768 1 57 ALA HA 1 58 GLY HA3 . . 4.600 4.410 4.395 4.430 . 0 0 "[ . 1 . 2]" 1
769 1 63 LYS H 1 63 LYS QD . . 5.500 4.522 4.154 4.644 . 0 0 "[ . 1 . 2]" 1
770 1 47 GLN HB2 1 71 VAL MG1 . . 4.580 4.510 4.429 4.576 . 0 0 "[ . 1 . 2]" 1
771 1 15 LYS H 1 15 LYS HG2 . . 5.500 2.457 1.951 4.118 . 0 0 "[ . 1 . 2]" 1
772 1 15 LYS H 1 15 LYS HG3 . . 5.500 3.126 1.987 3.836 . 0 0 "[ . 1 . 2]" 1
773 1 28 ARG H 1 28 ARG HB3 . . 3.910 3.432 2.585 3.832 . 0 0 "[ . 1 . 2]" 1
774 1 28 ARG H 1 28 ARG HB2 . . 3.910 2.446 2.152 3.710 . 0 0 "[ . 1 . 2]" 1
775 1 24 CYS HA 1 34 CYS HA . . 3.730 2.736 2.089 3.432 . 0 0 "[ . 1 . 2]" 1
776 1 5 ILE MD 1 17 ASP HB2 . . 4.110 3.538 2.970 4.131 0.021 4 0 "[ . 1 . 2]" 1
777 1 44 LYS QE 1 45 TRP HE1 . . 3.530 2.347 1.989 3.513 . 0 0 "[ . 1 . 2]" 1
778 1 37 ILE H 1 37 ILE MG . . 3.900 3.769 3.762 3.782 . 0 0 "[ . 1 . 2]" 1
779 1 22 LEU HA 1 37 ILE MG . . 5.500 5.335 5.250 5.476 . 0 0 "[ . 1 . 2]" 1
780 1 37 ILE MG 1 40 PHE HA . . 3.790 3.415 3.096 3.548 . 0 0 "[ . 1 . 2]" 1
781 1 37 ILE MG 1 38 PRO HG2 . . 3.520 3.189 3.161 3.226 . 0 0 "[ . 1 . 2]" 1
782 1 37 ILE MG 1 38 PRO HG3 . . 4.200 4.131 4.088 4.209 0.009 15 0 "[ . 1 . 2]" 1
783 1 23 GLU HG2 1 37 ILE HG12 . . 4.050 3.053 2.514 4.060 0.010 18 0 "[ . 1 . 2]" 1
784 1 37 ILE HB 1 40 PHE HB2 . . 3.750 1.971 1.960 1.994 . 0 0 "[ . 1 . 2]" 1
785 1 41 CYS HB3 1 56 CYS H . . 4.710 4.572 4.499 4.718 0.008 7 0 "[ . 1 . 2]" 1
786 1 42 LEU MD2 1 47 GLN H . . 5.500 5.110 4.847 5.372 . 0 0 "[ . 1 . 2]" 1
787 1 44 LYS QB 1 45 TRP H . . 3.990 3.886 3.866 3.899 . 0 0 "[ . 1 . 2]" 1
788 1 44 LYS QB 1 62 TRP HZ3 . . 5.030 5.049 5.031 5.065 0.035 16 0 "[ . 1 . 2]" 1
789 1 46 LYS H 1 46 LYS HD3 . . 5.330 5.275 5.178 5.322 . 0 0 "[ . 1 . 2]" 1
790 1 46 LYS HA 1 46 LYS HG3 . . 4.250 3.616 3.600 3.674 . 0 0 "[ . 1 . 2]" 1
791 1 47 GLN H 1 47 GLN HB3 . . 3.480 3.426 3.380 3.454 . 0 0 "[ . 1 . 2]" 1
792 1 51 ARG HA 1 51 ARG HG3 . . 4.020 3.204 2.350 3.827 . 0 0 "[ . 1 . 2]" 1
793 1 51 ARG HA 1 51 ARG HD3 . . 3.960 2.977 1.993 4.036 0.076 7 0 "[ . 1 . 2]" 1
794 1 42 LEU MD1 1 51 ARG HG2 . . 3.860 3.235 2.583 3.751 . 0 0 "[ . 1 . 2]" 1
795 1 42 LEU MD1 1 54 ASP HB3 . . 3.500 2.470 2.175 2.712 . 0 0 "[ . 1 . 2]" 1
796 1 55 CYS HB3 1 56 CYS H . . 3.870 2.379 2.333 2.537 . 0 0 "[ . 1 . 2]" 1
797 1 57 ALA MB 1 58 GLY HA3 . . 4.430 3.956 3.867 4.034 . 0 0 "[ . 1 . 2]" 1
798 1 58 GLY HA3 1 75 ILE HG12 . . 4.720 3.809 3.668 3.922 . 0 0 "[ . 1 . 2]" 1
799 1 59 LEU HB3 1 59 LEU MD1 . . 3.510 2.528 2.219 3.192 . 0 0 "[ . 1 . 2]" 1
800 1 52 GLU QB 1 61 CYS HB3 . . 3.520 3.107 3.045 3.185 . 0 0 "[ . 1 . 2]" 1
801 1 63 LYS QE 1 64 ARG H . . 5.250 4.643 2.298 5.282 0.032 4 0 "[ . 1 . 2]" 1
802 1 63 LYS QD 1 64 ARG H . . 4.100 3.619 3.314 4.091 . 0 0 "[ . 1 . 2]" 1
803 1 62 TRP HE3 1 71 VAL HB . . 4.580 4.504 4.449 4.584 0.004 4 0 "[ . 1 . 2]" 1
804 1 44 LYS HA 1 72 CYS HB3 . . 4.240 2.846 2.810 2.875 . 0 0 "[ . 1 . 2]" 1
805 1 44 LYS HG3 1 74 PRO HD3 . . 4.060 3.636 3.563 3.714 . 0 0 "[ . 1 . 2]" 1
806 1 44 LYS HG3 1 74 PRO HD2 . . 4.610 4.603 4.541 4.623 0.013 3 0 "[ . 1 . 2]" 1
807 1 74 PRO HA 1 75 ILE HA . . 4.540 4.307 4.305 4.308 . 0 0 "[ . 1 . 2]" 1
808 1 27 ARG HA 1 28 ARG H . . 3.320 2.425 2.139 2.604 . 0 0 "[ . 1 . 2]" 1
809 1 23 GLU HG3 1 37 ILE HG12 . . 4.050 2.996 1.993 4.043 . 0 0 "[ . 1 . 2]" 1
810 1 22 LEU HA 1 22 LEU MD1 . . 3.890 3.810 3.795 3.818 . 0 0 "[ . 1 . 2]" 1
811 1 19 CYS H 1 19 CYS HB2 . . 3.470 3.197 3.140 3.213 . 0 0 "[ . 1 . 2]" 1
812 1 19 CYS HA 1 20 GLU HA . . 4.540 4.346 4.338 4.355 . 0 0 "[ . 1 . 2]" 1
813 1 19 CYS HA 1 22 LEU MD1 . . 4.310 4.186 4.141 4.245 . 0 0 "[ . 1 . 2]" 1
814 1 12 VAL HA 1 32 GLU HG2 . . 5.310 4.825 3.550 5.400 0.090 2 0 "[ . 1 . 2]" 1
815 1 12 VAL HA 1 32 GLU HG3 . . 5.310 4.700 3.422 5.360 0.050 9 0 "[ . 1 . 2]" 1
816 1 18 CYS HB3 1 22 LEU HB2 . . 3.660 2.629 2.412 2.738 . 0 0 "[ . 1 . 2]" 1
817 1 37 ILE MG 1 38 PRO HD3 . . 3.520 3.332 3.304 3.369 . 0 0 "[ . 1 . 2]" 1
818 1 21 GLY HA2 1 37 ILE MD . . 3.880 2.505 1.976 2.812 . 0 0 "[ . 1 . 2]" 1
819 1 4 CYS HB3 1 5 ILE H . . 3.790 3.685 3.619 3.754 . 0 0 "[ . 1 . 2]" 1
820 1 26 LYS H 1 26 LYS QE . . 5.500 4.558 3.338 5.438 . 0 0 "[ . 1 . 2]" 1
821 1 68 LYS QE 1 69 SER H . . 5.500 4.088 2.383 5.283 . 0 0 "[ . 1 . 2]" 1
822 1 44 LYS HA 1 59 LEU HA . . 5.500 5.503 5.436 5.542 0.042 16 0 "[ . 1 . 2]" 1
823 1 6 ARG HA 1 7 LYS HB3 . . 4.920 4.886 4.619 4.956 0.036 10 0 "[ . 1 . 2]" 1
824 1 45 TRP H 1 59 LEU MD2 . . 5.100 4.647 4.253 4.858 . 0 0 "[ . 1 . 2]" 1
825 1 23 GLU H 1 36 PRO HA . . 4.510 4.333 4.069 4.495 . 0 0 "[ . 1 . 2]" 1
826 1 22 LEU MD1 1 35 VAL H . . 4.920 4.391 4.234 4.640 . 0 0 "[ . 1 . 2]" 1
827 1 1 SER HA 1 1 SER QB . . 2.630 2.359 2.189 2.490 . 0 0 "[ . 1 . 2]" 1
828 1 4 CYS HB3 1 19 CYS HA . . 3.350 3.185 2.984 3.332 . 0 0 "[ . 1 . 2]" 1
829 1 5 ILE HB 1 5 ILE MD . . 3.320 2.287 2.209 2.396 . 0 0 "[ . 1 . 2]" 1
830 1 5 ILE HA 1 5 ILE MD . . 3.990 3.877 3.854 3.885 . 0 0 "[ . 1 . 2]" 1
831 1 5 ILE MG 1 6 ARG HB2 . . 3.950 3.732 3.437 3.948 . 0 0 "[ . 1 . 2]" 1
832 1 5 ILE H 1 5 ILE MD . . 3.780 3.276 2.904 3.482 . 0 0 "[ . 1 . 2]" 1
833 1 5 ILE MD 1 19 CYS H . . 5.310 5.073 4.862 5.311 0.001 8 0 "[ . 1 . 2]" 1
834 1 5 ILE MD 1 18 CYS HA . . 3.690 2.162 1.932 2.424 . 0 0 "[ . 1 . 2]" 1
835 1 5 ILE HA 1 6 ARG HB2 . . 4.850 4.535 4.387 4.660 . 0 0 "[ . 1 . 2]" 1
836 1 5 ILE MG 1 9 LEU H . . 4.010 3.849 3.517 4.019 0.009 10 0 "[ . 1 . 2]" 1
837 1 5 ILE MG 1 10 SER H . . 4.320 2.783 2.574 2.999 . 0 0 "[ . 1 . 2]" 1
838 1 6 ARG HA 1 6 ARG HG3 . . 3.540 2.320 2.212 2.400 . 0 0 "[ . 1 . 2]" 1
839 1 5 ILE HA 1 6 ARG QD . . 3.880 3.244 3.001 3.583 . 0 0 "[ . 1 . 2]" 1
840 1 6 ARG H 1 6 ARG HB2 . . 3.150 2.430 2.345 2.469 . 0 0 "[ . 1 . 2]" 1
841 1 6 ARG HB3 1 7 LYS H . . 3.240 2.718 2.330 2.949 . 0 0 "[ . 1 . 2]" 1
842 1 6 ARG HG3 1 7 LYS H . . 4.760 4.098 3.889 4.356 . 0 0 "[ . 1 . 2]" 1
843 1 6 ARG H 1 6 ARG QD . . 3.250 2.001 1.909 2.108 . 0 0 "[ . 1 . 2]" 1
844 1 9 LEU HA 1 9 LEU HG . . 3.720 2.840 2.300 3.284 . 0 0 "[ . 1 . 2]" 1
845 1 9 LEU HA 1 9 LEU MD1 . . 3.900 2.751 2.008 3.818 . 0 0 "[ . 1 . 2]" 1
846 1 10 SER HB2 1 31 PHE QD . . 4.800 4.465 3.823 4.800 . 0 0 "[ . 1 . 2]" 1
847 1 22 LEU MD1 1 34 CYS HA . . 5.080 4.557 3.940 4.848 . 0 0 "[ . 1 . 2]" 1
848 1 10 SER HB3 1 11 CYS H . . 4.620 3.947 3.322 4.255 . 0 0 "[ . 1 . 2]" 1
849 1 10 SER HB2 1 11 CYS H . . 4.620 3.977 3.359 4.584 . 0 0 "[ . 1 . 2]" 1
850 1 12 VAL H 1 12 VAL MG1 . . 3.890 3.065 2.056 3.767 . 0 0 "[ . 1 . 2]" 1
851 1 10 SER HB3 1 31 PHE QD . . 4.800 4.272 3.081 4.803 0.003 8 0 "[ . 1 . 2]" 1
852 1 7 LYS H 1 7 LYS HB2 . . 3.560 2.468 2.305 2.703 . 0 0 "[ . 1 . 2]" 1
853 1 7 LYS HA 1 7 LYS QE . . 4.960 4.409 4.059 4.606 . 0 0 "[ . 1 . 2]" 1
854 1 7 LYS HB3 1 7 LYS QE . . 3.830 2.356 1.982 3.168 . 0 0 "[ . 1 . 2]" 1
855 1 7 LYS H 1 7 LYS HB3 . . 3.560 2.606 2.359 2.762 . 0 0 "[ . 1 . 2]" 1
856 1 7 LYS HB2 1 22 LEU MD1 . . 4.230 2.408 1.938 2.934 . 0 0 "[ . 1 . 2]" 1
857 1 7 LYS HB3 1 22 LEU MD1 . . 4.230 3.759 3.378 4.240 0.010 20 0 "[ . 1 . 2]" 1
858 1 7 LYS HA 1 8 TRP HA . . 4.430 4.403 4.383 4.424 . 0 0 "[ . 1 . 2]" 1
859 1 8 TRP HA 1 33 VAL MG2 . . 4.160 2.235 1.892 3.995 . 0 0 "[ . 1 . 2]" 1
860 1 8 TRP HA 1 8 TRP HE3 . . 3.670 2.558 2.076 2.853 . 0 0 "[ . 1 . 2]" 1
861 1 45 TRP HA 1 45 TRP HD1 . . 4.520 4.439 4.107 4.525 0.005 19 0 "[ . 1 . 2]" 1
862 1 5 ILE MD 1 14 ARG HD3 . . 3.830 3.469 1.958 3.840 0.010 7 0 "[ . 1 . 2]" 1
863 1 5 ILE MD 1 14 ARG HD2 . . 3.830 3.299 2.324 3.835 0.005 2 0 "[ . 1 . 2]" 1
864 1 18 CYS HB2 1 22 LEU HB3 . . 4.140 4.118 3.914 4.170 0.030 13 0 "[ . 1 . 2]" 1
865 1 20 GLU HA 1 21 GLY H . . 2.790 2.147 2.146 2.148 . 0 0 "[ . 1 . 2]" 1
866 1 20 GLU HB2 1 21 GLY H . . 4.620 4.391 4.331 4.454 . 0 0 "[ . 1 . 2]" 1
867 1 20 GLU HA 1 40 PHE HZ . . 5.070 4.527 4.305 4.651 . 0 0 "[ . 1 . 2]" 1
868 1 20 GLU HA 1 42 LEU MD2 . . 5.500 5.470 5.391 5.514 0.014 20 0 "[ . 1 . 2]" 1
869 1 19 CYS HA 1 20 GLU HB2 . . 5.200 4.608 4.509 4.702 . 0 0 "[ . 1 . 2]" 1
870 1 27 ARG HA 1 27 ARG QD . . 3.930 2.886 1.973 3.891 . 0 0 "[ . 1 . 2]" 1
871 1 27 ARG HA 1 27 ARG QG . . 3.510 2.456 2.084 3.437 . 0 0 "[ . 1 . 2]" 1
872 1 28 ARG HA 1 29 HIS HA . . 4.820 4.605 4.545 4.810 . 0 0 "[ . 1 . 2]" 1
873 1 30 SER H 1 30 SER HB2 . . 3.670 2.575 2.225 3.417 . 0 0 "[ . 1 . 2]" 1
874 1 30 SER H 1 30 SER HB3 . . 3.670 3.384 2.251 3.683 0.013 17 0 "[ . 1 . 2]" 1
875 1 5 ILE HA 1 5 ILE HG13 . . 4.150 2.789 2.586 3.016 . 0 0 "[ . 1 . 2]" 1
876 1 5 ILE MG 1 9 LEU HG . . 5.500 3.994 3.132 5.040 . 0 0 "[ . 1 . 2]" 1
877 1 7 LYS HA 1 8 TRP H . . 3.330 2.221 2.181 2.267 . 0 0 "[ . 1 . 2]" 1
878 1 11 CYS HA 1 33 VAL HA . . 4.270 3.842 3.409 4.290 0.020 6 0 "[ . 1 . 2]" 1
879 1 10 SER H 1 33 VAL HA . . 4.660 3.833 3.137 4.350 . 0 0 "[ . 1 . 2]" 1
880 1 23 GLU H 1 34 CYS HA . . 4.240 3.858 3.519 4.243 0.003 18 0 "[ . 1 . 2]" 1
881 1 25 TYR H 1 34 CYS HA . . 4.670 3.593 2.795 4.521 . 0 0 "[ . 1 . 2]" 1
882 1 34 CYS HA 1 35 VAL H . . 3.000 2.225 2.141 2.314 . 0 0 "[ . 1 . 2]" 1
883 1 22 LEU HB3 1 35 VAL MG2 . . 5.500 4.681 4.362 4.917 . 0 0 "[ . 1 . 2]" 1
884 1 26 LYS H 1 35 VAL MG2 . . 5.130 4.958 4.592 5.166 0.036 13 0 "[ . 1 . 2]" 1
885 1 35 VAL H 1 35 VAL MG2 . . 3.280 2.246 2.046 2.352 . 0 0 "[ . 1 . 2]" 1
886 1 12 VAL H 1 12 VAL MG2 . . 3.890 2.114 2.013 2.286 . 0 0 "[ . 1 . 2]" 1
887 1 38 PRO HA 1 40 PHE H . . 4.410 3.408 3.371 3.533 . 0 0 "[ . 1 . 2]" 1
888 1 37 ILE HA 1 37 ILE HG12 . . 3.780 2.836 2.791 2.930 . 0 0 "[ . 1 . 2]" 1
889 1 36 PRO HA 1 37 ILE HG13 . . 4.120 3.835 3.708 3.951 . 0 0 "[ . 1 . 2]" 1
890 1 36 PRO HA 1 37 ILE MD . . 4.560 4.526 4.324 4.584 0.024 10 0 "[ . 1 . 2]" 1
891 1 22 LEU HB3 1 36 PRO HA . . 4.700 4.621 4.436 4.722 0.022 7 0 "[ . 1 . 2]" 1
892 1 35 VAL HA 1 36 PRO HD3 . . 3.010 2.299 2.269 2.314 . 0 0 "[ . 1 . 2]" 1
893 1 62 TRP HD1 1 64 ARG QD . . 4.940 4.773 4.496 4.944 0.004 11 0 "[ . 1 . 2]" 1
894 1 41 CYS HA 1 42 LEU HG . . 3.630 3.277 3.202 3.340 . 0 0 "[ . 1 . 2]" 1
895 1 42 LEU HB3 1 46 LYS HB2 . . 5.500 2.442 2.289 2.488 . 0 0 "[ . 1 . 2]" 1
896 1 42 LEU HB3 1 46 LYS HG3 . . 5.500 3.584 3.125 3.711 . 0 0 "[ . 1 . 2]" 1
897 1 42 LEU HA 1 42 LEU HG . . 3.660 3.287 3.262 3.317 . 0 0 "[ . 1 . 2]" 1
898 1 42 LEU HA 1 46 LYS HG3 . . 3.980 3.564 3.268 3.697 . 0 0 "[ . 1 . 2]" 1
899 1 41 CYS HB2 1 42 LEU HG . . 4.240 4.241 4.175 4.262 0.022 13 0 "[ . 1 . 2]" 1
900 1 42 LEU HB2 1 42 LEU MD1 . . 3.380 2.271 2.211 2.315 . 0 0 "[ . 1 . 2]" 1
901 1 42 LEU MD1 1 51 ARG HB3 . . 3.660 1.964 1.881 2.160 . 0 0 "[ . 1 . 2]" 1
902 1 40 PHE HZ 1 42 LEU MD2 . . 2.710 2.194 2.113 2.336 . 0 0 "[ . 1 . 2]" 1
903 1 42 LEU MD2 1 54 ASP HB3 . . 5.500 3.322 3.029 3.533 . 0 0 "[ . 1 . 2]" 1
904 1 42 LEU MD2 1 54 ASP HB2 . . 5.500 4.629 4.354 4.767 . 0 0 "[ . 1 . 2]" 1
905 1 42 LEU MD1 1 55 CYS HB3 . . 5.500 3.878 3.832 3.959 . 0 0 "[ . 1 . 2]" 1
906 1 42 LEU HB2 1 43 VAL H . . 4.520 3.247 2.987 3.453 . 0 0 "[ . 1 . 2]" 1
907 1 43 VAL HA 1 44 LYS QB . . 4.650 4.426 4.394 4.449 . 0 0 "[ . 1 . 2]" 1
908 1 44 LYS HA 1 44 LYS HD3 . . 5.500 4.376 4.122 4.486 . 0 0 "[ . 1 . 2]" 1
909 1 44 LYS HA 1 44 LYS HD2 . . 5.500 4.697 4.422 5.435 . 0 0 "[ . 1 . 2]" 1
910 1 43 VAL MG1 1 44 LYS QB . . 5.460 5.186 5.120 5.223 . 0 0 "[ . 1 . 2]" 1
911 1 44 LYS H 1 44 LYS QE . . 4.030 3.718 1.920 4.036 0.006 6 0 "[ . 1 . 2]" 1
912 1 44 LYS H 1 44 LYS HD2 . . 4.460 3.575 3.202 4.180 . 0 0 "[ . 1 . 2]" 1
913 1 47 GLN H 1 47 GLN HB2 . . 3.180 2.118 2.092 2.140 . 0 0 "[ . 1 . 2]" 1
914 1 49 ASP HB3 1 50 GLY H . . 4.730 4.238 4.020 4.380 . 0 0 "[ . 1 . 2]" 1
915 1 49 ASP HA 1 50 GLY HA2 . . 4.570 4.380 4.378 4.381 . 0 0 "[ . 1 . 2]" 1
916 1 51 ARG HB3 1 54 ASP HB3 . . 4.190 2.056 1.999 2.153 . 0 0 "[ . 1 . 2]" 1
917 1 51 ARG HA 1 51 ARG HD2 . . 3.960 3.084 2.000 3.790 . 0 0 "[ . 1 . 2]" 1
918 1 51 ARG H 1 52 GLU QG . . 4.910 4.853 4.725 4.920 0.010 20 0 "[ . 1 . 2]" 1
919 1 51 ARG HB2 1 54 ASP HB2 . . 4.220 3.871 3.762 3.962 . 0 0 "[ . 1 . 2]" 1
920 1 51 ARG HB2 1 54 ASP HB3 . . 4.220 3.716 3.535 3.834 . 0 0 "[ . 1 . 2]" 1
921 1 43 VAL HA 1 56 CYS HB2 . . 4.020 3.768 3.662 3.881 . 0 0 "[ . 1 . 2]" 1
922 1 56 CYS HB2 1 59 LEU HB3 . . 4.960 4.893 4.653 4.991 0.031 3 0 "[ . 1 . 2]" 1
923 1 19 CYS HB3 1 22 LEU MD2 . . 4.230 3.972 3.887 4.044 . 0 0 "[ . 1 . 2]" 1
924 1 19 CYS HB2 1 22 LEU MD1 . . 3.370 2.052 1.955 2.136 . 0 0 "[ . 1 . 2]" 1
925 1 58 GLY HA2 1 75 ILE HG12 . . 4.720 4.005 3.814 4.129 . 0 0 "[ . 1 . 2]" 1
926 1 20 GLU H 1 22 LEU MD1 . . 4.070 3.959 3.876 4.030 . 0 0 "[ . 1 . 2]" 1
927 1 22 LEU MD1 1 34 CYS HB3 . . 3.700 2.507 1.917 2.915 . 0 0 "[ . 1 . 2]" 1
928 1 55 CYS HB3 1 59 LEU MD1 . . 4.090 2.582 1.961 4.104 0.014 6 0 "[ . 1 . 2]" 1
929 1 7 LYS HA 1 22 LEU MD1 . . 2.910 2.275 1.985 2.578 . 0 0 "[ . 1 . 2]" 1
930 1 22 LEU MD1 1 36 PRO HB3 . . 5.240 5.213 4.964 5.282 0.042 20 0 "[ . 1 . 2]" 1
931 1 22 LEU HA 1 22 LEU MD2 . . 3.340 2.024 1.939 2.092 . 0 0 "[ . 1 . 2]" 1
932 1 22 LEU MD2 1 23 GLU H . . 3.710 3.188 3.090 3.402 . 0 0 "[ . 1 . 2]" 1
933 1 22 LEU MD2 1 37 ILE H . . 3.770 3.209 3.050 3.410 . 0 0 "[ . 1 . 2]" 1
934 1 22 LEU MD2 1 36 PRO HD2 . . 4.230 4.188 4.085 4.273 0.043 2 0 "[ . 1 . 2]" 1
935 1 7 LYS HA 1 22 LEU MD2 . . 4.050 3.684 3.356 3.995 . 0 0 "[ . 1 . 2]" 1
936 1 7 LYS QE 1 22 LEU MD2 . . 3.840 3.327 1.868 3.847 0.007 15 0 "[ . 1 . 2]" 1
937 1 22 LEU HB3 1 22 LEU MD2 . . 3.450 2.387 2.356 2.450 . 0 0 "[ . 1 . 2]" 1
938 1 22 LEU MD2 1 36 PRO HB2 . . 4.120 4.031 3.848 4.079 . 0 0 "[ . 1 . 2]" 1
939 1 22 LEU MD2 1 36 PRO HB3 . . 3.550 3.028 2.811 3.110 . 0 0 "[ . 1 . 2]" 1
940 1 55 CYS HB3 1 59 LEU MD2 . . 4.090 3.443 1.908 4.011 . 0 0 "[ . 1 . 2]" 1
941 1 60 GLU QB 1 61 CYS H . . 5.500 2.574 2.377 2.694 . 0 0 "[ . 1 . 2]" 1
942 1 65 SER HA 1 66 GLY HA3 . . 4.500 4.407 4.402 4.411 . 0 0 "[ . 1 . 2]" 1
943 1 66 GLY HA3 1 67 ASN H . . 3.530 3.035 2.957 3.098 . 0 0 "[ . 1 . 2]" 1
944 1 47 GLN HG3 1 71 VAL HA . . 4.030 3.832 3.725 3.973 . 0 0 "[ . 1 . 2]" 1
945 1 62 TRP HB3 1 71 VAL MG2 . . 3.550 2.550 2.421 2.602 . 0 0 "[ . 1 . 2]" 1
946 1 71 VAL HA 1 71 VAL MG1 . . 3.030 2.160 2.124 2.222 . 0 0 "[ . 1 . 2]" 1
947 1 70 SER HA 1 71 VAL MG2 . . 3.670 3.607 3.484 3.668 . 0 0 "[ . 1 . 2]" 1
948 1 44 LYS QB 1 72 CYS HB3 . . 4.910 4.410 4.365 4.461 . 0 0 "[ . 1 . 2]" 1
949 1 59 LEU HG 1 72 CYS HB3 . . 5.110 4.249 2.105 5.040 . 0 0 "[ . 1 . 2]" 1
950 1 73 ALA HA 1 74 PRO HG2 . . 4.540 4.538 4.512 4.557 0.017 19 0 "[ . 1 . 2]" 1
951 1 73 ALA HA 1 74 PRO HG3 . . 4.680 4.491 4.471 4.505 . 0 0 "[ . 1 . 2]" 1
952 1 62 TRP HZ3 1 73 ALA HA . . 5.070 5.029 4.969 5.076 0.006 19 0 "[ . 1 . 2]" 1
953 1 74 PRO HB2 1 75 ILE HG12 . . 3.770 3.552 3.475 3.665 . 0 0 "[ . 1 . 2]" 1
954 1 74 PRO HB2 1 76 THR MG . . 4.700 4.605 4.459 4.706 0.006 2 0 "[ . 1 . 2]" 1
955 1 73 ALA HA 1 74 PRO HD2 . . 2.950 2.431 2.400 2.455 . 0 0 "[ . 1 . 2]" 1
956 1 73 ALA MB 1 74 PRO HD2 . . 3.040 2.083 2.049 2.177 . 0 0 "[ . 1 . 2]" 1
957 1 75 ILE HA 1 75 ILE HG13 . . 3.650 3.638 3.634 3.642 . 0 0 "[ . 1 . 2]" 1
958 1 75 ILE HA 1 75 ILE HG12 . . 3.770 3.768 3.762 3.773 0.003 18 0 "[ . 1 . 2]" 1
959 1 75 ILE HB 1 75 ILE MD . . 3.040 2.194 2.163 2.236 . 0 0 "[ . 1 . 2]" 1
960 1 75 ILE HG12 1 75 ILE MG . . 3.310 2.182 2.137 2.219 . 0 0 "[ . 1 . 2]" 1
961 1 59 LEU HA 1 75 ILE MG . . 4.910 4.418 4.306 4.544 . 0 0 "[ . 1 . 2]" 1
962 1 76 THR H 1 76 THR MG . . 3.570 3.015 2.550 3.441 . 0 0 "[ . 1 . 2]" 1
963 1 68 LYS H 1 68 LYS HB3 . . 4.020 3.784 3.623 3.903 . 0 0 "[ . 1 . 2]" 1
964 1 68 LYS HA 1 68 LYS QE . . 4.580 4.133 2.801 4.611 0.031 19 0 "[ . 1 . 2]" 1
965 1 63 LYS HA 1 63 LYS QE . . 5.500 3.823 2.175 4.424 . 0 0 "[ . 1 . 2]" 1
966 1 64 ARG HB2 1 64 ARG QD . . 3.650 2.105 2.027 2.410 . 0 0 "[ . 1 . 2]" 1
967 1 64 ARG HA 1 64 ARG HG3 . . 3.860 2.334 2.218 2.393 . 0 0 "[ . 1 . 2]" 1
968 1 64 ARG HB3 1 64 ARG QD . . 3.650 2.808 2.566 3.197 . 0 0 "[ . 1 . 2]" 1
969 1 64 ARG H 1 64 ARG HB3 . . 3.830 3.456 3.394 3.515 . 0 0 "[ . 1 . 2]" 1
970 1 53 ARG H 1 53 ARG HG2 . . 3.840 3.359 2.486 3.946 0.106 3 0 "[ . 1 . 2]" 1
971 1 43 VAL MG2 1 46 LYS HA . . 3.760 3.616 3.536 3.761 0.001 7 0 "[ . 1 . 2]" 1
972 1 46 LYS HA 1 46 LYS HG2 . . 3.800 2.351 2.323 2.445 . 0 0 "[ . 1 . 2]" 1
973 1 20 GLU HG3 1 40 PHE HZ . . 3.820 2.881 2.137 3.830 0.010 13 0 "[ . 1 . 2]" 1
974 1 21 GLY HA3 1 40 PHE QD . . 3.850 3.309 3.211 3.415 . 0 0 "[ . 1 . 2]" 1
975 1 25 TYR QE 1 27 ARG QG . . 4.560 3.634 2.242 4.561 0.001 7 0 "[ . 1 . 2]" 1
976 1 25 TYR QE 1 35 VAL MG2 . . 4.960 4.373 3.406 4.974 0.014 20 0 "[ . 1 . 2]" 1
977 1 62 TRP HD1 1 63 LYS H . . 3.390 1.972 1.938 2.098 . 0 0 "[ . 1 . 2]" 1
978 1 62 TRP HD1 1 73 ALA MB . . 4.250 4.211 4.176 4.261 0.011 16 0 "[ . 1 . 2]" 1
979 1 40 PHE QE 1 42 LEU MD2 . . 3.650 2.774 2.521 2.957 . 0 0 "[ . 1 . 2]" 1
980 1 25 TYR QD 1 35 VAL MG1 . . 4.170 3.140 2.213 3.786 . 0 0 "[ . 1 . 2]" 1
981 1 25 TYR QD 1 27 ARG QG . . 4.140 3.373 2.401 4.164 0.024 20 0 "[ . 1 . 2]" 1
982 1 25 TYR QD 1 26 LYS H . . 3.890 2.939 2.565 3.474 . 0 0 "[ . 1 . 2]" 1
983 1 8 TRP HA 1 8 TRP HD1 . . 4.580 4.356 4.213 4.493 . 0 0 "[ . 1 . 2]" 1
984 1 25 TYR QD 1 35 VAL MG2 . . 3.520 2.801 2.030 3.385 . 0 0 "[ . 1 . 2]" 1
985 1 29 HIS HA 1 29 HIS HD2 . . 4.200 3.181 2.200 4.279 0.079 17 0 "[ . 1 . 2]" 1
986 1 44 LYS HG2 1 45 TRP HD1 . . 2.850 2.605 2.000 2.787 . 0 0 "[ . 1 . 2]" 1
987 1 44 LYS QE 1 45 TRP HD1 . . 3.000 2.706 2.019 2.998 . 0 0 "[ . 1 . 2]" 1
988 1 2 ASN QB 1 3 GLU H . . 3.940 3.078 2.000 3.902 . 0 0 "[ . 1 . 2]" 1
989 1 3 GLU H 1 3 GLU QB . . 2.890 2.363 2.158 2.658 . 0 0 "[ . 1 . 2]" 1
990 1 3 GLU QB 1 4 CYS H . . 3.270 2.212 2.039 2.360 . 0 0 "[ . 1 . 2]" 1
991 1 5 ILE H 1 5 ILE QG . . 3.090 2.183 2.001 2.323 . 0 0 "[ . 1 . 2]" 1
992 1 5 ILE HA 1 5 ILE QG . . 3.530 2.451 2.427 2.474 . 0 0 "[ . 1 . 2]" 1
993 1 5 ILE HA 1 9 LEU QD . . 4.130 3.476 3.079 4.091 . 0 0 "[ . 1 . 2]" 1
994 1 5 ILE MG 1 9 LEU QB . . 2.990 2.429 2.147 2.755 . 0 0 "[ . 1 . 2]" 1
995 1 5 ILE MG 1 34 CYS QB . . 4.050 3.538 2.795 3.976 . 0 0 "[ . 1 . 2]" 1
996 1 5 ILE QG 1 6 ARG H . . 4.920 4.136 3.996 4.290 . 0 0 "[ . 1 . 2]" 1
997 1 5 ILE MD 1 11 CYS QB . . 5.340 4.550 3.575 5.044 . 0 0 "[ . 1 . 2]" 1
998 1 5 ILE MD 1 14 ARG QD . . 3.190 2.867 1.949 3.199 0.009 9 0 "[ . 1 . 2]" 1
999 1 5 ILE MD 1 17 ASP QB . . 3.320 3.192 2.742 3.329 0.009 9 0 "[ . 1 . 2]" 1
1000 1 6 ARG H 1 6 ARG QG . . 3.060 2.978 2.871 3.054 . 0 0 "[ . 1 . 2]" 1
1001 1 6 ARG H 1 9 LEU QB . . 4.130 3.572 3.155 3.885 . 0 0 "[ . 1 . 2]" 1
1002 1 6 ARG H 1 9 LEU QD . . 3.280 2.481 1.946 2.899 . 0 0 "[ . 1 . 2]" 1
1003 1 6 ARG HA 1 6 ARG QG . . 3.070 2.288 2.185 2.356 . 0 0 "[ . 1 . 2]" 1
1004 1 6 ARG HA 1 9 LEU QD . . 4.440 4.220 4.052 4.391 . 0 0 "[ . 1 . 2]" 1
1005 1 6 ARG HB2 1 9 LEU QD . . 3.350 2.066 1.886 2.313 . 0 0 "[ . 1 . 2]" 1
1006 1 6 ARG HB3 1 9 LEU QD . . 3.650 3.399 3.082 3.656 0.006 15 0 "[ . 1 . 2]" 1
1007 1 6 ARG QG 1 7 LYS H . . 4.040 3.822 3.584 4.035 . 0 0 "[ . 1 . 2]" 1
1008 1 6 ARG QG 1 9 LEU QD . . 3.650 3.447 3.154 3.650 . 15 0 "[ . 1 . 2]" 1
1009 1 6 ARG QD 1 9 LEU QD . . 3.030 2.107 1.903 2.681 . 0 0 "[ . 1 . 2]" 1
1010 1 7 LYS H 1 7 LYS QG . . 4.350 3.965 3.940 4.013 . 0 0 "[ . 1 . 2]" 1
1011 1 7 LYS HA 1 34 CYS QB . . 5.090 2.679 2.152 3.308 . 0 0 "[ . 1 . 2]" 1
1012 1 7 LYS QB 1 7 LYS QE . . 3.360 2.108 1.947 2.452 . 0 0 "[ . 1 . 2]" 1
1013 1 7 LYS QB 1 22 LEU MD1 . . 3.360 2.380 1.927 2.883 . 0 0 "[ . 1 . 2]" 1
1014 1 7 LYS QG 1 8 TRP H . . 4.650 2.374 2.169 2.589 . 0 0 "[ . 1 . 2]" 1
1015 1 7 LYS QG 1 9 LEU H . . 5.340 4.822 4.663 4.972 . 0 0 "[ . 1 . 2]" 1
1016 1 7 LYS QD 1 36 PRO QG . . 3.440 2.943 2.488 3.454 0.014 9 0 "[ . 1 . 2]" 1
1017 1 8 TRP H 1 33 VAL QG . . 3.980 3.098 2.691 3.424 . 0 0 "[ . 1 . 2]" 1
1018 1 8 TRP HA 1 33 VAL QG . . 3.330 1.922 1.884 1.974 . 0 0 "[ . 1 . 2]" 1
1019 1 8 TRP QB 1 8 TRP HD1 . . 3.380 2.520 2.495 2.548 . 0 0 "[ . 1 . 2]" 1
1020 1 8 TRP QB 1 8 TRP HE1 . . 4.660 4.399 4.376 4.413 . 0 0 "[ . 1 . 2]" 1
1021 1 8 TRP HE3 1 33 VAL QG . . 3.410 2.033 1.908 2.896 . 0 0 "[ . 1 . 2]" 1
1022 1 8 TRP HZ3 1 33 VAL QG . . 5.440 2.958 2.630 3.854 . 0 0 "[ . 1 . 2]" 1
1023 1 9 LEU H 1 9 LEU QB . . 3.100 2.501 2.443 2.555 . 0 0 "[ . 1 . 2]" 1
1024 1 9 LEU H 1 9 LEU QD . . 4.000 3.872 3.727 3.937 . 0 0 "[ . 1 . 2]" 1
1025 1 9 LEU H 1 34 CYS QB . . 4.120 3.665 3.099 4.144 0.024 15 0 "[ . 1 . 2]" 1
1026 1 9 LEU HA 1 9 LEU QD . . 3.110 2.468 2.002 3.097 . 0 0 "[ . 1 . 2]" 1
1027 1 9 LEU HA 1 33 VAL QG . . 4.790 3.542 3.247 3.909 . 0 0 "[ . 1 . 2]" 1
1028 1 9 LEU QB 1 10 SER H . . 3.070 2.006 1.926 2.087 . 0 0 "[ . 1 . 2]" 1
1029 1 9 LEU QB 1 10 SER QB . . 5.120 3.945 3.539 4.459 . 0 0 "[ . 1 . 2]" 1
1030 1 9 LEU QD 1 10 SER H . . 3.950 3.116 2.008 3.583 . 0 0 "[ . 1 . 2]" 1
1031 1 9 LEU QD 1 10 SER QB . . 4.100 3.031 1.860 3.924 . 0 0 "[ . 1 . 2]" 1
1032 1 10 SER H 1 10 SER QB . . 3.560 3.190 2.921 3.447 . 0 0 "[ . 1 . 2]" 1
1033 1 10 SER H 1 33 VAL QG . . 3.770 3.292 2.564 3.668 . 0 0 "[ . 1 . 2]" 1
1034 1 10 SER QB 1 11 CYS H . . 3.820 3.425 3.222 3.784 . 0 0 "[ . 1 . 2]" 1
1035 1 10 SER QB 1 11 CYS HA . . 4.620 4.457 4.302 4.632 0.012 13 0 "[ . 1 . 2]" 1
1036 1 10 SER QB 1 31 PHE QD . . 4.220 3.840 2.959 4.235 0.015 8 0 "[ . 1 . 2]" 1
1037 1 10 SER QB 1 33 VAL QG . . 4.060 3.415 2.981 3.760 . 0 0 "[ . 1 . 2]" 1
1038 1 11 CYS H 1 12 VAL QG . . 3.800 3.241 3.066 3.444 . 0 0 "[ . 1 . 2]" 1
1039 1 11 CYS H 1 33 VAL QG . . 3.680 2.853 2.246 3.466 . 0 0 "[ . 1 . 2]" 1
1040 1 11 CYS QB 1 15 LYS HA . . 4.410 3.517 1.989 4.412 0.002 1 0 "[ . 1 . 2]" 1
1041 1 12 VAL H 1 12 VAL QG . . 3.070 2.009 1.866 2.143 . 0 0 "[ . 1 . 2]" 1
1042 1 12 VAL HA 1 12 VAL QG . . 2.830 2.143 2.040 2.326 . 0 0 "[ . 1 . 2]" 1
1043 1 12 VAL HA 1 32 GLU QG . . 4.510 4.147 3.102 4.539 0.029 9 0 "[ . 1 . 2]" 1
1044 1 12 VAL QG 1 31 PHE HA . . 4.020 3.815 3.021 4.035 0.015 19 0 "[ . 1 . 2]" 1
1045 1 12 VAL QG 1 31 PHE QB . . 3.560 2.731 1.870 3.732 0.172 9 0 "[ . 1 . 2]" 1
1046 1 12 VAL QG 1 31 PHE QD . . 3.660 3.441 2.284 3.677 0.017 20 0 "[ . 1 . 2]" 1
1047 1 12 VAL QG 1 32 GLU QB . . 4.700 3.867 1.921 4.710 0.010 17 0 "[ . 1 . 2]" 1
1048 1 12 VAL QG 1 32 GLU QG . . 3.410 2.802 1.935 3.427 0.017 15 0 "[ . 1 . 2]" 1
1049 1 15 LYS HA 1 24 CYS QB . . 4.080 3.385 2.021 4.083 0.003 20 0 "[ . 1 . 2]" 1
1050 1 15 LYS QB 1 24 CYS QB . . 3.670 2.237 1.918 2.791 . 0 0 "[ . 1 . 2]" 1
1051 1 16 ASN H 1 16 ASN QB . . 3.430 2.375 2.200 2.731 . 0 0 "[ . 1 . 2]" 1
1052 1 16 ASN H 1 16 ASN QD . . 4.660 3.961 2.192 4.601 . 0 0 "[ . 1 . 2]" 1
1053 1 16 ASN QB 1 16 ASN QD . . 3.100 2.180 2.065 2.412 . 0 0 "[ . 1 . 2]" 1
1054 1 16 ASN QB 1 17 ASP H . . 3.720 3.134 2.750 3.680 . 0 0 "[ . 1 . 2]" 1
1055 1 18 CYS H 1 18 CYS QB . . 3.280 2.139 2.070 2.260 . 0 0 "[ . 1 . 2]" 1
1056 1 18 CYS QB 1 19 CYS H . . 3.480 2.201 2.154 2.291 . 0 0 "[ . 1 . 2]" 1
1057 1 18 CYS QB 1 22 LEU H . . 4.720 4.428 4.240 4.538 . 0 0 "[ . 1 . 2]" 1
1058 1 18 CYS QB 1 22 LEU HB2 . . 3.110 2.564 2.379 2.665 . 0 0 "[ . 1 . 2]" 1
1059 1 18 CYS QB 1 22 LEU HB3 . . 3.470 2.903 2.719 2.972 . 0 0 "[ . 1 . 2]" 1
1060 1 18 CYS QB 1 22 LEU MD1 . . 3.730 2.827 2.553 3.031 . 0 0 "[ . 1 . 2]" 1
1061 1 18 CYS QB 1 23 GLU H . . 4.480 4.376 4.169 4.479 . 0 0 "[ . 1 . 2]" 1
1062 1 19 CYS HA 1 20 GLU QB . . 4.470 4.279 4.250 4.323 . 0 0 "[ . 1 . 2]" 1
1063 1 20 GLU H 1 20 GLU QG . . 4.460 3.996 3.945 4.081 . 0 0 "[ . 1 . 2]" 1
1064 1 20 GLU HA 1 20 GLU QG . . 3.090 2.458 2.309 2.890 . 0 0 "[ . 1 . 2]" 1
1065 1 20 GLU HA 1 21 GLY QA . . 4.520 3.898 3.898 3.899 . 0 0 "[ . 1 . 2]" 1
1066 1 20 GLU QB 1 21 GLY H . . 3.990 3.889 3.878 3.896 . 0 0 "[ . 1 . 2]" 1
1067 1 20 GLU QG 1 21 GLY H . . 3.580 3.095 2.948 3.386 . 0 0 "[ . 1 . 2]" 1
1068 1 20 GLU QG 1 40 PHE HZ . . 3.310 2.284 1.993 2.622 . 0 0 "[ . 1 . 2]" 1
1069 1 20 GLU QG 1 42 LEU MD2 . . 4.690 2.999 2.820 3.214 . 0 0 "[ . 1 . 2]" 1
1070 1 21 GLY QA 1 37 ILE MD . . 3.010 2.465 1.959 2.746 . 0 0 "[ . 1 . 2]" 1
1071 1 21 GLY QA 1 40 PHE HZ . . 3.970 3.031 2.890 3.396 . 0 0 "[ . 1 . 2]" 1
1072 1 22 LEU H 1 23 GLU QB . . 5.340 5.183 4.655 5.427 0.087 20 0 "[ . 1 . 2]" 1
1073 1 22 LEU HB2 1 34 CYS QB . . 3.650 3.364 3.169 3.644 . 0 0 "[ . 1 . 2]" 1
1074 1 22 LEU HB3 1 34 CYS QB . . 3.540 2.160 1.991 2.470 . 0 0 "[ . 1 . 2]" 1
1075 1 22 LEU MD1 1 34 CYS QB . . 2.990 2.336 1.873 2.569 . 0 0 "[ . 1 . 2]" 1
1076 1 22 LEU MD2 1 36 PRO QG . . 4.330 4.039 3.874 4.124 . 0 0 "[ . 1 . 2]" 1
1077 1 23 GLU H 1 23 GLU QB . . 3.640 2.802 2.461 3.168 . 0 0 "[ . 1 . 2]" 1
1078 1 23 GLU H 1 23 GLU QG . . 3.990 3.292 2.479 4.053 0.063 18 0 "[ . 1 . 2]" 1
1079 1 23 GLU QB 1 24 CYS H . . 3.180 2.693 2.314 3.242 0.062 13 0 "[ . 1 . 2]" 1
1080 1 23 GLU QB 1 35 VAL MG2 . . 4.350 3.204 2.550 4.157 . 0 0 "[ . 1 . 2]" 1
1081 1 23 GLU QB 1 37 ILE H . . 5.000 4.777 4.114 5.017 0.017 11 0 "[ . 1 . 2]" 1
1082 1 23 GLU QB 1 37 ILE HG12 . . 3.240 2.506 2.096 2.768 . 0 0 "[ . 1 . 2]" 1
1083 1 23 GLU QB 1 37 ILE HG13 . . 3.790 2.701 2.241 3.000 . 0 0 "[ . 1 . 2]" 1
1084 1 23 GLU QB 1 37 ILE MD . . 3.170 2.753 2.042 3.190 0.020 10 0 "[ . 1 . 2]" 1
1085 1 23 GLU QG 1 24 CYS H . . 4.380 3.519 2.363 4.174 . 0 0 "[ . 1 . 2]" 1
1086 1 23 GLU QG 1 35 VAL MG2 . . 4.250 3.514 2.198 4.369 0.119 20 0 "[ . 1 . 2]" 1
1087 1 23 GLU QG 1 37 ILE HG12 . . 3.230 2.413 1.983 3.039 . 0 0 "[ . 1 . 2]" 1
1088 1 23 GLU QG 1 37 ILE HG13 . . 4.190 2.841 2.297 3.861 . 0 0 "[ . 1 . 2]" 1
1089 1 23 GLU QG 1 37 ILE MD . . 3.430 2.628 1.831 3.421 . 0 0 "[ . 1 . 2]" 1
1090 1 24 CYS H 1 24 CYS QB . . 2.890 2.234 2.130 2.370 . 0 0 "[ . 1 . 2]" 1
1091 1 25 TYR H 1 25 TYR QB . . 3.310 2.391 2.320 2.723 . 0 0 "[ . 1 . 2]" 1
1092 1 25 TYR HA 1 26 LYS QB . . 4.640 4.231 3.968 4.617 . 0 0 "[ . 1 . 2]" 1
1093 1 25 TYR QB 1 26 LYS H . . 3.690 3.280 2.417 3.662 . 0 0 "[ . 1 . 2]" 1
1094 1 25 TYR QB 1 35 VAL MG1 . . 3.170 2.149 1.882 2.637 . 0 0 "[ . 1 . 2]" 1
1095 1 25 TYR QB 1 35 VAL MG2 . . 2.880 1.968 1.795 2.187 . 0 0 "[ . 1 . 2]" 1
1096 1 26 LYS H 1 26 LYS QB . . 3.270 2.567 2.248 3.062 . 0 0 "[ . 1 . 2]" 1
1097 1 27 ARG QG 1 30 SER QB . . 3.360 2.754 1.905 3.365 0.005 11 0 "[ . 1 . 2]" 1
1098 1 27 ARG QD 1 30 SER QB . . 3.690 2.865 1.744 3.768 0.078 20 0 "[ . 1 . 2]" 1
1099 1 28 ARG H 1 28 ARG QB . . 3.250 2.357 2.132 3.038 . 0 0 "[ . 1 . 2]" 1
1100 1 28 ARG QB 1 28 ARG QD . . 3.280 2.158 1.963 2.618 . 0 0 "[ . 1 . 2]" 1
1101 1 28 ARG QB 1 29 HIS H . . 3.710 2.190 1.920 3.399 . 0 0 "[ . 1 . 2]" 1
1102 1 30 SER QB 1 31 PHE H . . 3.670 2.680 1.935 3.542 . 0 0 "[ . 1 . 2]" 1
1103 1 31 PHE QB 1 33 VAL QG . . 3.850 3.728 3.246 3.860 0.010 5 0 "[ . 1 . 2]" 1
1104 1 31 PHE QD 1 33 VAL QG . . 3.050 2.148 1.919 2.755 . 0 0 "[ . 1 . 2]" 1
1105 1 31 PHE QE 1 33 VAL QG . . 4.130 2.108 1.905 4.141 0.011 9 0 "[ . 1 . 2]" 1
1106 1 33 VAL HA 1 33 VAL QG . . 3.040 2.282 2.058 2.428 . 0 0 "[ . 1 . 2]" 1
1107 1 33 VAL QG 1 34 CYS QB . . 3.870 3.820 3.340 3.946 0.076 2 0 "[ . 1 . 2]" 1
1108 1 33 VAL QG 1 35 VAL MG1 . . 3.420 2.853 2.411 3.450 0.030 13 0 "[ . 1 . 2]" 1
1109 1 34 CYS H 1 34 CYS QB . . 3.470 2.483 2.283 2.594 . 0 0 "[ . 1 . 2]" 1
1110 1 34 CYS QB 1 35 VAL H . . 4.210 2.891 2.609 3.311 . 0 0 "[ . 1 . 2]" 1
1111 1 35 VAL MG1 1 36 PRO QG . . 4.780 4.355 4.189 4.506 . 0 0 "[ . 1 . 2]" 1
1112 1 38 PRO HA 1 39 GLY QA . . 4.100 3.934 3.913 3.944 . 0 0 "[ . 1 . 2]" 1
1113 1 38 PRO QB 1 39 GLY H . . 3.460 3.271 3.195 3.433 . 0 0 "[ . 1 . 2]" 1
1114 1 38 PRO QB 1 40 PHE H . . 5.050 4.612 4.558 4.798 . 0 0 "[ . 1 . 2]" 1
1115 1 39 GLY QA 1 40 PHE HA . . 5.170 4.150 4.145 4.157 . 0 0 "[ . 1 . 2]" 1
1116 1 42 LEU HA 1 59 LEU QD . . 4.480 4.361 4.234 4.426 . 0 0 "[ . 1 . 2]" 1
1117 1 42 LEU MD1 1 51 ARG QG . . 3.310 2.615 2.535 2.723 . 0 0 "[ . 1 . 2]" 1
1118 1 42 LEU MD1 1 51 ARG QD . . 3.840 3.474 3.196 3.776 . 0 0 "[ . 1 . 2]" 1
1119 1 42 LEU MD2 1 46 LYS QE . . 3.550 3.222 3.083 3.370 . 0 0 "[ . 1 . 2]" 1
1120 1 42 LEU MD2 1 51 ARG QD . . 5.340 3.974 3.224 4.340 . 0 0 "[ . 1 . 2]" 1
1121 1 43 VAL H 1 46 LYS QE . . 4.170 3.889 3.646 4.089 . 0 0 "[ . 1 . 2]" 1
1122 1 43 VAL HA 1 59 LEU QD . . 3.120 2.034 1.940 2.125 . 0 0 "[ . 1 . 2]" 1
1123 1 43 VAL HB 1 59 LEU QD . . 3.860 3.695 3.623 3.744 . 0 0 "[ . 1 . 2]" 1
1124 1 43 VAL MG1 1 46 LYS QE . . 4.710 3.950 3.846 4.054 . 0 0 "[ . 1 . 2]" 1
1125 1 43 VAL MG2 1 46 LYS QE . . 3.360 3.069 2.905 3.266 . 0 0 "[ . 1 . 2]" 1
1126 1 44 LYS H 1 44 LYS QD . . 3.590 2.375 2.048 3.290 . 0 0 "[ . 1 . 2]" 1
1127 1 44 LYS H 1 59 LEU QD . . 3.010 2.769 2.704 2.839 . 0 0 "[ . 1 . 2]" 1
1128 1 44 LYS HA 1 59 LEU QD . . 3.400 2.469 2.379 2.563 . 0 0 "[ . 1 . 2]" 1
1129 1 44 LYS QB 1 59 LEU QD . . 3.340 2.088 1.971 2.238 . 0 0 "[ . 1 . 2]" 1
1130 1 44 LYS HG2 1 59 LEU QD . . 4.700 4.158 4.043 4.289 . 0 0 "[ . 1 . 2]" 1
1131 1 44 LYS QD 1 45 TRP HD1 . . 4.110 3.744 3.601 4.109 . 0 0 "[ . 1 . 2]" 1
1132 1 44 LYS QD 1 45 TRP HE1 . . 4.070 3.966 3.169 4.076 0.006 12 0 "[ . 1 . 2]" 1
1133 1 44 LYS QD 1 59 LEU QD . . 4.850 3.162 3.019 3.341 . 0 0 "[ . 1 . 2]" 1
1134 1 44 LYS QD 1 73 ALA HA . . 5.070 4.673 4.523 4.771 . 0 0 "[ . 1 . 2]" 1
1135 1 44 LYS QD 1 74 PRO HG3 . . 3.780 3.546 3.073 3.768 . 0 0 "[ . 1 . 2]" 1
1136 1 44 LYS QE 1 59 LEU QD . . 5.440 4.624 3.324 4.898 . 0 0 "[ . 1 . 2]" 1
1137 1 46 LYS H 1 59 LEU QD . . 4.480 4.373 4.123 4.496 0.016 3 0 "[ . 1 . 2]" 1
1138 1 46 LYS HA 1 46 LYS QE . . 4.760 4.509 4.455 4.714 . 0 0 "[ . 1 . 2]" 1
1139 1 46 LYS QE 1 46 LYS HG2 . . 3.510 2.804 2.670 3.276 . 0 0 "[ . 1 . 2]" 1
1140 1 46 LYS QE 1 46 LYS HG3 . . 3.500 2.221 2.108 2.475 . 0 0 "[ . 1 . 2]" 1
1141 1 47 GLN QE 1 47 GLN HG3 . . 3.210 2.301 2.144 2.476 . 0 0 "[ . 1 . 2]" 1
1142 1 47 GLN QE 1 69 SER H . . 4.340 4.075 3.919 4.243 . 0 0 "[ . 1 . 2]" 1
1143 1 47 GLN QE 1 69 SER QB . . 3.410 2.112 1.895 2.391 . 0 0 "[ . 1 . 2]" 1
1144 1 48 CYS H 1 70 SER QB . . 4.380 3.732 3.166 4.268 . 0 0 "[ . 1 . 2]" 1
1145 1 49 ASP H 1 49 ASP QB . . 2.960 2.226 2.094 2.426 . 0 0 "[ . 1 . 2]" 1
1146 1 49 ASP QB 1 50 GLY H . . 3.970 3.786 3.378 3.864 . 0 0 "[ . 1 . 2]" 1
1147 1 49 ASP QB 1 50 GLY QA . . 4.490 4.187 4.008 4.356 . 0 0 "[ . 1 . 2]" 1
1148 1 51 ARG H 1 51 ARG QG . . 3.550 3.054 2.473 3.631 0.081 10 0 "[ . 1 . 2]" 1
1149 1 51 ARG H 1 51 ARG QD . . 4.340 3.267 2.457 4.318 . 0 0 "[ . 1 . 2]" 1
1150 1 51 ARG H 1 54 ASP QB . . 5.110 4.765 4.663 4.884 . 0 0 "[ . 1 . 2]" 1
1151 1 51 ARG HA 1 51 ARG QD . . 3.470 2.505 1.963 3.084 . 0 0 "[ . 1 . 2]" 1
1152 1 51 ARG HB2 1 54 ASP QB . . 3.670 3.371 3.298 3.398 . 0 0 "[ . 1 . 2]" 1
1153 1 51 ARG HB3 1 51 ARG QD . . 3.180 2.733 2.280 3.270 0.090 18 0 "[ . 1 . 2]" 1
1154 1 51 ARG HB3 1 54 ASP QB . . 3.620 1.897 1.850 1.917 . 0 0 "[ . 1 . 2]" 1
1155 1 51 ARG QG 1 52 GLU H . . 4.750 4.740 4.622 4.782 0.032 7 0 "[ . 1 . 2]" 1
1156 1 51 ARG QG 1 54 ASP QB . . 4.450 2.958 2.416 3.481 . 0 0 "[ . 1 . 2]" 1
1157 1 51 ARG QD 1 52 GLU H . . 5.140 4.569 4.388 5.081 . 0 0 "[ . 1 . 2]" 1
1158 1 52 GLU QG 1 53 ARG QG . . 3.920 2.048 1.840 3.717 . 0 0 "[ . 1 . 2]" 1
1159 1 52 GLU QG 1 53 ARG QD . . 4.370 3.475 1.897 3.965 . 0 0 "[ . 1 . 2]" 1
1160 1 53 ARG H 1 53 ARG QB . . 3.240 2.770 2.633 3.165 . 0 0 "[ . 1 . 2]" 1
1161 1 53 ARG H 1 53 ARG QG . . 3.350 2.625 1.904 2.942 . 0 0 "[ . 1 . 2]" 1
1162 1 53 ARG HA 1 53 ARG QG . . 3.000 2.654 2.394 3.302 0.302 12 0 "[ . 1 . 2]" 1
1163 1 53 ARG HA 1 53 ARG QD . . 4.770 4.013 3.679 4.482 . 0 0 "[ . 1 . 2]" 1
1164 1 53 ARG QB 1 54 ASP H . . 3.960 3.751 2.975 3.978 0.018 12 0 "[ . 1 . 2]" 1
1165 1 53 ARG QG 1 54 ASP H . . 4.460 4.201 3.430 4.455 . 0 0 "[ . 1 . 2]" 1
1166 1 54 ASP QB 1 55 CYS H . . 3.990 3.017 2.927 3.059 . 0 0 "[ . 1 . 2]" 1
1167 1 55 CYS H 1 59 LEU QD . . 5.170 4.910 4.801 4.978 . 0 0 "[ . 1 . 2]" 1
1168 1 55 CYS HA 1 59 LEU QD . . 3.430 3.351 3.161 3.445 0.015 10 0 "[ . 1 . 2]" 1
1169 1 55 CYS HB2 1 59 LEU QD . . 3.660 3.405 3.313 3.513 . 0 0 "[ . 1 . 2]" 1
1170 1 55 CYS HB3 1 59 LEU QD . . 2.850 2.028 1.905 2.151 . 0 0 "[ . 1 . 2]" 1
1171 1 56 CYS H 1 59 LEU QD . . 3.170 1.932 1.898 2.007 . 0 0 "[ . 1 . 2]" 1
1172 1 56 CYS HA 1 59 LEU QD . . 4.330 4.104 4.006 4.281 . 0 0 "[ . 1 . 2]" 1
1173 1 56 CYS HB2 1 59 LEU QD . . 2.960 2.171 1.963 2.676 . 0 0 "[ . 1 . 2]" 1
1174 1 56 CYS HB3 1 59 LEU QD . . 3.680 3.442 3.337 3.646 . 0 0 "[ . 1 . 2]" 1
1175 1 57 ALA MB 1 58 GLY QA . . 3.880 3.662 3.604 3.726 . 0 0 "[ . 1 . 2]" 1
1176 1 58 GLY QA 1 59 LEU H . . 3.120 2.874 2.862 2.887 . 0 0 "[ . 1 . 2]" 1
1177 1 58 GLY QA 1 59 LEU QD . . 5.070 4.225 4.034 4.335 . 0 0 "[ . 1 . 2]" 1
1178 1 58 GLY QA 1 75 ILE HG12 . . 4.090 3.472 3.328 3.578 . 0 0 "[ . 1 . 2]" 1
1179 1 58 GLY QA 1 75 ILE MD . . 4.060 3.934 3.767 4.007 . 0 0 "[ . 1 . 2]" 1
1180 1 59 LEU H 1 59 LEU QD . . 3.530 3.324 3.148 3.410 . 0 0 "[ . 1 . 2]" 1
1181 1 59 LEU HA 1 59 LEU QD . . 3.130 2.033 1.937 2.093 . 0 0 "[ . 1 . 2]" 1
1182 1 59 LEU HB3 1 59 LEU QD . . 3.000 2.130 2.030 2.346 . 0 0 "[ . 1 . 2]" 1
1183 1 59 LEU QD 1 60 GLU H . . 3.230 2.859 2.734 3.153 . 0 0 "[ . 1 . 2]" 1
1184 1 59 LEU QD 1 72 CYS HA . . 5.430 4.197 4.091 4.285 . 0 0 "[ . 1 . 2]" 1
1185 1 59 LEU QD 1 72 CYS HB2 . . 5.020 3.293 2.880 3.510 . 0 0 "[ . 1 . 2]" 1
1186 1 59 LEU QD 1 72 CYS HB3 . . 3.240 2.291 1.958 2.505 . 0 0 "[ . 1 . 2]" 1
1187 1 59 LEU QD 1 73 ALA H . . 3.900 3.087 2.876 3.526 . 0 0 "[ . 1 . 2]" 1
1188 1 59 LEU QD 1 73 ALA HA . . 3.820 2.766 2.607 3.061 . 0 0 "[ . 1 . 2]" 1
1189 1 59 LEU QD 1 73 ALA MB . . 4.170 3.691 3.584 3.897 . 0 0 "[ . 1 . 2]" 1
1190 1 59 LEU QD 1 74 PRO HA . . 2.820 1.979 1.964 2.017 . 0 0 "[ . 1 . 2]" 1
1191 1 59 LEU QD 1 74 PRO HB2 . . 3.910 3.900 3.858 3.921 0.011 20 0 "[ . 1 . 2]" 1
1192 1 59 LEU QD 1 74 PRO HB3 . . 3.370 2.754 2.680 2.804 . 0 0 "[ . 1 . 2]" 1
1193 1 59 LEU QD 1 74 PRO HG2 . . 4.560 4.367 4.341 4.402 . 0 0 "[ . 1 . 2]" 1
1194 1 59 LEU QD 1 74 PRO HG3 . . 3.880 3.920 3.904 3.937 0.057 6 0 "[ . 1 . 2]" 1
1195 1 59 LEU QD 1 74 PRO HD2 . . 3.880 3.726 3.663 3.811 . 0 0 "[ . 1 . 2]" 1
1196 1 59 LEU QD 1 74 PRO HD3 . . 3.630 2.710 2.663 2.761 . 0 0 "[ . 1 . 2]" 1
1197 1 59 LEU QD 1 75 ILE H . . 4.400 4.121 4.047 4.159 . 0 0 "[ . 1 . 2]" 1
1198 1 62 TRP HE1 1 64 ARG QG . . 4.030 3.849 3.520 4.029 . 0 0 "[ . 1 . 2]" 1
1199 1 63 LYS H 1 64 ARG QB . . 5.180 5.075 4.990 5.180 . 0 0 "[ . 1 . 2]" 1
1200 1 63 LYS HA 1 70 SER QB . . 3.560 3.049 2.550 3.559 . 0 0 "[ . 1 . 2]" 1
1201 1 63 LYS QB 1 63 LYS QE . . 4.270 2.313 1.954 3.455 . 0 0 "[ . 1 . 2]" 1
1202 1 63 LYS QB 1 64 ARG H . . 4.020 3.934 3.910 3.964 . 0 0 "[ . 1 . 2]" 1
1203 1 63 LYS QB 1 70 SER QB . . 4.820 4.625 4.066 4.858 0.038 17 0 "[ . 1 . 2]" 1
1204 1 63 LYS QG 1 70 SER QB . . 4.020 3.669 3.412 4.086 0.066 2 0 "[ . 1 . 2]" 1
1205 1 64 ARG H 1 64 ARG QG . . 3.890 3.675 3.577 3.793 . 0 0 "[ . 1 . 2]" 1
1206 1 64 ARG H 1 70 SER QB . . 3.910 3.643 3.327 3.916 0.006 17 0 "[ . 1 . 2]" 1
1207 1 64 ARG HA 1 64 ARG QG . . 3.330 2.209 2.144 2.238 . 0 0 "[ . 1 . 2]" 1
1208 1 64 ARG QB 1 64 ARG QD . . 3.190 2.046 1.982 2.344 . 0 0 "[ . 1 . 2]" 1
1209 1 64 ARG QB 1 65 SER H . . 3.390 3.290 3.139 3.400 0.010 1 0 "[ . 1 . 2]" 1
1210 1 64 ARG QB 1 66 GLY H . . 5.340 5.243 5.078 5.374 0.034 16 0 "[ . 1 . 2]" 1
1211 1 64 ARG QB 1 67 ASN H . . 4.340 4.069 3.896 4.234 . 0 0 "[ . 1 . 2]" 1
1212 1 64 ARG QB 1 67 ASN QB . . 4.170 3.581 3.257 4.170 0.000 14 0 "[ . 1 . 2]" 1
1213 1 64 ARG QB 1 67 ASN QD . . 5.180 4.488 3.313 5.179 . 0 0 "[ . 1 . 2]" 1
1214 1 64 ARG QB 1 68 LYS H . . 5.340 3.625 3.498 3.983 . 0 0 "[ . 1 . 2]" 1
1215 1 64 ARG QG 1 65 SER H . . 3.610 3.462 3.358 3.556 . 0 0 "[ . 1 . 2]" 1
1216 1 64 ARG QG 1 67 ASN H . . 5.340 5.067 4.823 5.315 . 0 0 "[ . 1 . 2]" 1
1217 1 65 SER H 1 65 SER QB . . 3.230 2.914 2.511 3.186 . 0 0 "[ . 1 . 2]" 1
1218 1 65 SER QB 1 66 GLY H . . 3.120 3.025 2.897 3.121 0.001 11 0 "[ . 1 . 2]" 1
1219 1 66 GLY H 1 66 GLY QA . . 2.580 2.329 2.323 2.332 . 0 0 "[ . 1 . 2]" 1
1220 1 66 GLY H 1 67 ASN QB . . 4.940 4.715 4.568 4.941 0.001 14 0 "[ . 1 . 2]" 1
1221 1 66 GLY QA 1 67 ASN H . . 2.900 2.849 2.807 2.879 . 0 0 "[ . 1 . 2]" 1
1222 1 66 GLY QA 1 67 ASN HA . . 4.510 4.002 3.999 4.005 . 0 0 "[ . 1 . 2]" 1
1223 1 67 ASN H 1 67 ASN QB . . 3.240 2.428 2.341 2.678 . 0 0 "[ . 1 . 2]" 1
1224 1 67 ASN HA 1 67 ASN QD . . 4.510 3.770 3.428 4.048 . 0 0 "[ . 1 . 2]" 1
1225 1 67 ASN QB 1 67 ASN QD . . 3.050 2.122 2.064 2.256 . 0 0 "[ . 1 . 2]" 1
1226 1 67 ASN QB 1 68 LYS H . . 3.620 2.487 2.343 3.455 . 0 0 "[ . 1 . 2]" 1
1227 1 68 LYS HA 1 68 LYS QG . . 3.160 2.358 2.085 3.311 0.151 17 0 "[ . 1 . 2]" 1
1228 1 68 LYS QB 1 68 LYS QE . . 4.440 2.690 2.064 3.842 . 0 0 "[ . 1 . 2]" 1
1229 1 68 LYS QB 1 69 SER H . . 3.200 2.073 1.934 2.234 . 0 0 "[ . 1 . 2]" 1
1230 1 68 LYS QB 1 69 SER QB . . 3.990 3.580 3.492 3.690 . 0 0 "[ . 1 . 2]" 1
1231 1 68 LYS QE 1 68 LYS QG . . 3.170 2.279 2.062 2.793 . 0 0 "[ . 1 . 2]" 1
1232 1 68 LYS QG 1 69 SER H . . 4.690 3.336 2.756 3.992 . 0 0 "[ . 1 . 2]" 1
1233 1 70 SER QB 1 71 VAL H . . 3.500 3.357 3.278 3.573 0.073 17 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 18
_Distance_constraint_stats_list.Viol_count 330
_Distance_constraint_stats_list.Viol_total 1954.546
_Distance_constraint_stats_list.Viol_max 0.614
_Distance_constraint_stats_list.Viol_rms 0.2190
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2715
_Distance_constraint_stats_list.Viol_average_violations_only 0.2961
_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 4 CYS 19.604 0.602 10 19 "[** ******+****-*****]"
1 11 CYS 13.906 0.602 7 9 "[ * .*+ **-* . * *]"
1 18 CYS 11.058 0.601 18 5 "[ .* * .- +*2]"
1 19 CYS 19.604 0.602 10 19 "[** ******+****-*****]"
1 24 CYS 13.906 0.602 7 9 "[ * .*+ **-* . * *]"
1 34 CYS 11.058 0.601 18 5 "[ .* * .- +*2]"
1 41 CYS 13.740 0.614 15 18 "[***** ********+***-2]"
1 48 CYS 15.525 0.486 15 0 "[ . 1 . 2]"
1 55 CYS 23.894 0.609 14 20 [*************+****-*]
1 56 CYS 13.740 0.614 15 18 "[***** ********+***-2]"
1 61 CYS 15.525 0.486 15 0 "[ . 1 . 2]"
1 72 CYS 23.894 0.609 14 20 [*************+****-*]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 CYS SG 1 19 CYS SG . . 1.960 1.992 1.957 2.097 0.137 15 0 "[ . 1 . 2]" 2
2 1 4 CYS SG 1 19 CYS CB . . 2.900 3.457 3.366 3.502 0.602 10 18 "[** **** *+****-*****]" 2
3 1 4 CYS CB 1 19 CYS SG . . 2.900 3.291 3.056 3.500 0.600 18 4 "[ *. - 1 * + 2]" 2
4 1 11 CYS SG 1 24 CYS SG . . 1.960 2.022 1.959 2.101 0.141 3 0 "[ . 1 . 2]" 2
5 1 11 CYS SG 1 24 CYS CB . . 2.900 3.200 2.898 3.502 0.602 7 5 "[ .*+ 1*- . *]" 2
6 1 11 CYS CB 1 24 CYS SG . . 2.900 3.233 2.912 3.501 0.601 18 4 "[ - . * * . + 2]" 2
7 1 18 CYS SG 1 34 CYS SG . . 1.960 2.021 1.958 2.103 0.143 20 0 "[ . 1 . 2]" 2
8 1 18 CYS SG 1 34 CYS CB . . 2.900 3.343 3.174 3.501 0.601 18 5 "[ .* * .- +*2]" 2
9 1 18 CYS CB 1 34 CYS SG . . 2.900 2.948 2.895 3.102 0.202 1 0 "[ . 1 . 2]" 2
10 1 41 CYS SG 1 56 CYS SG . . 1.960 1.972 1.948 2.104 0.144 20 0 "[ . 1 . 2]" 2
11 1 41 CYS SG 1 56 CYS CB . . 2.900 3.485 3.335 3.514 0.614 15 18 "[***** ********+***-2]" 2
12 1 41 CYS CB 1 56 CYS SG . . 2.900 2.988 2.928 3.156 0.256 6 0 "[ . 1 . 2]" 2
13 1 48 CYS SG 1 61 CYS SG . . 1.960 2.109 2.107 2.112 0.152 16 0 "[ . 1 . 2]" 2
14 1 48 CYS SG 1 61 CYS CB . . 2.900 3.346 3.329 3.386 0.486 15 0 "[ . 1 . 2]" 2
15 1 48 CYS CB 1 61 CYS SG . . 2.900 3.081 3.051 3.166 0.266 3 0 "[ . 1 . 2]" 2
16 1 55 CYS SG 1 72 CYS SG . . 1.960 2.077 2.000 2.103 0.143 3 0 "[ . 1 . 2]" 2
17 1 55 CYS SG 1 72 CYS CB . . 2.900 3.465 3.401 3.509 0.609 14 20 [*************+****-*] 2
18 1 55 CYS CB 1 72 CYS SG . . 2.900 3.413 3.335 3.499 0.599 9 14 "[***-. +**** *****2]" 2
stop_
save_
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