NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
582605 |
2mt5   |
25149 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mt5
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 991
_Distance_constraint_stats_list.Viol_count 1061
_Distance_constraint_stats_list.Viol_total 459.093
_Distance_constraint_stats_list.Viol_max 0.182
_Distance_constraint_stats_list.Viol_rms 0.0076
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0216
_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 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASN 0.005 0.005 9 0 "[ . 1 . 2]"
1 6 ASP 0.010 0.005 9 0 "[ . 1 . 2]"
1 7 GLU 0.286 0.182 9 0 "[ . 1 . 2]"
1 8 ASN 0.138 0.022 9 0 "[ . 1 . 2]"
1 9 CYS 0.177 0.033 13 0 "[ . 1 . 2]"
1 10 GLY 0.040 0.013 9 0 "[ . 1 . 2]"
1 11 ILE 0.254 0.032 15 0 "[ . 1 . 2]"
1 12 CYS 0.148 0.052 13 0 "[ . 1 . 2]"
1 13 ARG 0.323 0.077 15 0 "[ . 1 . 2]"
1 14 MET 1.064 0.141 6 0 "[ . 1 . 2]"
1 15 ALA 0.275 0.049 14 0 "[ . 1 . 2]"
1 16 PHE 0.337 0.025 13 0 "[ . 1 . 2]"
1 17 ASN 0.018 0.012 16 0 "[ . 1 . 2]"
1 18 GLY 0.029 0.012 16 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.042 0.017 11 0 "[ . 1 . 2]"
1 21 PRO 0.173 0.053 10 0 "[ . 1 . 2]"
1 22 ASP 0.078 0.030 20 0 "[ . 1 . 2]"
1 23 CYS 0.397 0.109 20 0 "[ . 1 . 2]"
1 24 LYS 0.399 0.109 20 0 "[ . 1 . 2]"
1 25 VAL 0.396 0.103 14 0 "[ . 1 . 2]"
1 26 PRO 0.184 0.045 13 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.008 0.003 5 0 "[ . 1 . 2]"
1 29 ASP 0.237 0.094 19 0 "[ . 1 . 2]"
1 30 CYS 0.160 0.056 8 0 "[ . 1 . 2]"
1 31 PRO 0.011 0.007 15 0 "[ . 1 . 2]"
1 32 LEU 0.252 0.050 15 0 "[ . 1 . 2]"
1 33 VAL 0.042 0.007 1 0 "[ . 1 . 2]"
1 34 TRP 0.215 0.020 13 0 "[ . 1 . 2]"
1 35 GLY 0.353 0.031 3 0 "[ . 1 . 2]"
1 36 GLN 0.441 0.077 13 0 "[ . 1 . 2]"
1 37 CYS 0.073 0.020 8 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 HIS 0.115 0.018 5 0 "[ . 1 . 2]"
1 40 CYS 0.067 0.020 13 0 "[ . 1 . 2]"
1 41 PHE 0.826 0.052 13 0 "[ . 1 . 2]"
1 42 HIS 0.860 0.063 16 0 "[ . 1 . 2]"
1 43 MET 0.749 0.050 15 0 "[ . 1 . 2]"
1 44 HIS 0.642 0.059 2 0 "[ . 1 . 2]"
1 45 CYS 0.135 0.017 13 0 "[ . 1 . 2]"
1 46 ILE 3.944 0.111 9 0 "[ . 1 . 2]"
1 47 LEU 4.471 0.156 17 0 "[ . 1 . 2]"
1 48 LYS 1.561 0.076 20 0 "[ . 1 . 2]"
1 49 TRP 4.678 0.150 18 0 "[ . 1 . 2]"
1 50 LEU 8.176 0.156 17 0 "[ . 1 . 2]"
1 51 HIS 0.161 0.046 18 0 "[ . 1 . 2]"
1 52 ALA 0.344 0.052 16 0 "[ . 1 . 2]"
1 53 GLN 0.121 0.018 16 0 "[ . 1 . 2]"
1 54 GLN 0.055 0.027 18 0 "[ . 1 . 2]"
1 55 VAL 0.057 0.018 4 0 "[ . 1 . 2]"
1 56 GLN 0.015 0.006 20 0 "[ . 1 . 2]"
1 57 GLN 0.768 0.039 8 0 "[ . 1 . 2]"
1 58 HIS 0.670 0.039 16 0 "[ . 1 . 2]"
1 59 CYS 0.709 0.069 13 0 "[ . 1 . 2]"
1 60 PRO 0.877 0.059 6 0 "[ . 1 . 2]"
1 61 MET 0.217 0.049 6 0 "[ . 1 . 2]"
1 62 CYS 0.103 0.049 6 0 "[ . 1 . 2]"
1 63 ARG 0.022 0.016 15 0 "[ . 1 . 2]"
1 64 GLN 0.005 0.005 7 0 "[ . 1 . 2]"
1 65 GLU 0.283 0.027 10 0 "[ . 1 . 2]"
1 66 TRP 3.926 0.104 18 0 "[ . 1 . 2]"
1 67 LYS 0.144 0.039 13 0 "[ . 1 . 2]"
1 68 PHE 1.358 0.077 13 0 "[ . 1 . 2]"
1 69 LYS 0.509 0.028 11 0 "[ . 1 . 2]"
1 70 GLU 0.238 0.062 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 3 VAL HA 1 4 ALA H . . 3.280 2.321 2.141 3.197 . 0 0 "[ . 1 . 2]" 1
2 1 3 VAL HB 1 4 ALA H . . 4.440 3.945 2.550 4.394 . 0 0 "[ . 1 . 2]" 1
3 1 3 VAL QG 1 4 ALA H . . 4.160 2.721 1.924 3.745 . 0 0 "[ . 1 . 2]" 1
4 1 4 ALA H 1 4 ALA MB . . 3.530 2.366 2.066 2.823 . 0 0 "[ . 1 . 2]" 1
5 1 4 ALA MB 1 5 ASN H . . 4.890 3.260 2.578 3.658 . 0 0 "[ . 1 . 2]" 1
6 1 5 ASN H 1 5 ASN HD21 . . 5.500 4.176 2.273 4.995 . 0 0 "[ . 1 . 2]" 1
7 1 5 ASN H 1 5 ASN HD22 . . 5.500 4.834 3.956 5.450 . 0 0 "[ . 1 . 2]" 1
8 1 5 ASN HA 1 5 ASN HD21 . . 3.950 2.447 1.950 3.134 . 0 0 "[ . 1 . 2]" 1
9 1 5 ASN HA 1 5 ASN QD . . 3.360 2.405 1.937 2.998 . 0 0 "[ . 1 . 2]" 1
10 1 5 ASN HA 1 5 ASN HD22 . . 3.950 3.650 3.326 3.832 . 0 0 "[ . 1 . 2]" 1
11 1 5 ASN HA 1 6 ASP H . . 2.860 2.232 2.138 2.831 . 0 0 "[ . 1 . 2]" 1
12 1 5 ASN HA 1 7 GLU H . . 3.510 3.356 3.170 3.496 . 0 0 "[ . 1 . 2]" 1
13 1 5 ASN QB 1 6 ASP H . . 3.830 3.374 2.333 3.835 0.005 9 0 "[ . 1 . 2]" 1
14 1 6 ASP H 1 6 ASP QB . . 3.140 2.655 2.315 3.126 . 0 0 "[ . 1 . 2]" 1
15 1 6 ASP HA 1 7 GLU H . . 3.300 3.110 2.869 3.302 0.002 16 0 "[ . 1 . 2]" 1
16 1 6 ASP QB 1 7 GLU H . . 4.020 3.666 3.428 3.963 . 0 0 "[ . 1 . 2]" 1
17 1 6 ASP QB 1 8 ASN H . . 4.550 4.401 3.954 4.552 0.002 16 0 "[ . 1 . 2]" 1
18 1 7 GLU H 1 7 GLU HB2 . . 3.770 2.948 2.238 3.630 . 0 0 "[ . 1 . 2]" 1
19 1 7 GLU H 1 7 GLU QB . . 3.070 2.544 2.165 3.135 0.065 9 0 "[ . 1 . 2]" 1
20 1 7 GLU H 1 7 GLU HB3 . . 3.770 3.175 2.395 3.952 0.182 9 0 "[ . 1 . 2]" 1
21 1 7 GLU H 1 7 GLU QG . . 4.040 2.661 1.894 4.044 0.004 4 0 "[ . 1 . 2]" 1
22 1 7 GLU H 1 8 ASN H . . 3.260 2.737 2.489 3.264 0.004 9 0 "[ . 1 . 2]" 1
23 1 7 GLU HA 1 7 GLU QG . . 3.490 2.813 2.228 3.411 . 0 0 "[ . 1 . 2]" 1
24 1 7 GLU HA 1 8 ASN H . . 3.460 3.058 2.507 3.381 . 0 0 "[ . 1 . 2]" 1
25 1 7 GLU QB 1 8 ASN H . . 3.880 3.772 3.189 3.902 0.022 9 0 "[ . 1 . 2]" 1
26 1 7 GLU QG 1 8 ASN H . . 5.040 3.916 2.616 4.702 . 0 0 "[ . 1 . 2]" 1
27 1 8 ASN H 1 8 ASN HB2 . . 3.810 3.301 2.864 3.791 . 0 0 "[ . 1 . 2]" 1
28 1 8 ASN H 1 8 ASN HB3 . . 3.910 3.626 3.210 3.906 . 0 0 "[ . 1 . 2]" 1
29 1 8 ASN H 1 8 ASN HD21 . . 4.940 3.732 2.655 4.644 . 0 0 "[ . 1 . 2]" 1
30 1 8 ASN H 1 8 ASN QD . . 4.250 3.375 2.578 4.065 . 0 0 "[ . 1 . 2]" 1
31 1 8 ASN H 1 8 ASN HD22 . . 4.940 3.891 3.078 4.624 . 0 0 "[ . 1 . 2]" 1
32 1 8 ASN H 1 16 PHE HZ . . 5.120 4.669 4.100 5.001 . 0 0 "[ . 1 . 2]" 1
33 1 8 ASN HA 1 8 ASN HD22 . . 5.500 4.803 4.010 5.272 . 0 0 "[ . 1 . 2]" 1
34 1 8 ASN HA 1 9 CYS H . . 2.860 2.180 2.140 2.285 . 0 0 "[ . 1 . 2]" 1
35 1 8 ASN HA 1 13 ARG HA . . 4.450 4.431 4.274 4.472 0.022 13 0 "[ . 1 . 2]" 1
36 1 8 ASN HA 1 13 ARG QB . . 5.340 5.266 5.118 5.345 0.005 14 0 "[ . 1 . 2]" 1
37 1 8 ASN HA 1 15 ALA MB . . 4.740 4.443 3.752 4.742 0.002 3 0 "[ . 1 . 2]" 1
38 1 8 ASN HA 1 16 PHE H . . 3.990 3.636 3.249 3.992 0.002 3 0 "[ . 1 . 2]" 1
39 1 8 ASN HB2 1 9 CYS H . . 3.930 3.529 2.749 3.927 . 0 0 "[ . 1 . 2]" 1
40 1 8 ASN HB2 1 13 ARG HA . . 3.450 3.041 2.461 3.448 . 0 0 "[ . 1 . 2]" 1
41 1 8 ASN HB2 1 14 MET H . . 5.500 4.808 3.321 5.514 0.014 13 0 "[ . 1 . 2]" 1
42 1 8 ASN HB3 1 9 CYS H . . 4.100 3.564 3.064 4.056 . 0 0 "[ . 1 . 2]" 1
43 1 8 ASN HB3 1 13 ARG HA . . 4.720 3.783 3.165 4.490 . 0 0 "[ . 1 . 2]" 1
44 1 8 ASN HB3 1 14 MET H . . 5.500 4.813 3.888 5.502 0.002 9 0 "[ . 1 . 2]" 1
45 1 8 ASN HB3 1 15 ALA HA . . 4.300 3.885 3.385 4.243 . 0 0 "[ . 1 . 2]" 1
46 1 9 CYS H 1 9 CYS HB2 . . 3.120 2.225 2.128 2.316 . 0 0 "[ . 1 . 2]" 1
47 1 9 CYS H 1 9 CYS HB3 . . 3.170 2.908 2.765 3.051 . 0 0 "[ . 1 . 2]" 1
48 1 9 CYS H 1 14 MET H . . 4.100 3.132 2.238 3.582 . 0 0 "[ . 1 . 2]" 1
49 1 9 CYS H 1 15 ALA HA . . 4.590 4.001 3.595 4.433 . 0 0 "[ . 1 . 2]" 1
50 1 9 CYS H 1 16 PHE QE . . 5.500 3.400 2.253 3.888 . 0 0 "[ . 1 . 2]" 1
51 1 9 CYS H 1 42 HIS HE1 . . 4.230 3.971 3.587 4.245 0.015 8 0 "[ . 1 . 2]" 1
52 1 9 CYS HA 1 10 GLY H . . 3.080 2.506 2.413 2.638 . 0 0 "[ . 1 . 2]" 1
53 1 9 CYS HA 1 11 ILE H . . 4.620 4.196 4.046 4.457 . 0 0 "[ . 1 . 2]" 1
54 1 9 CYS HA 1 16 PHE QE . . 3.820 2.831 2.242 3.238 . 0 0 "[ . 1 . 2]" 1
55 1 9 CYS HA 1 16 PHE HZ . . 3.400 3.052 2.511 3.378 . 0 0 "[ . 1 . 2]" 1
56 1 9 CYS HA 1 41 PHE HA . . 3.970 3.918 3.514 3.978 0.008 19 0 "[ . 1 . 2]" 1
57 1 9 CYS HA 1 42 HIS H . . 5.360 5.281 4.937 5.372 0.012 13 0 "[ . 1 . 2]" 1
58 1 9 CYS HB2 1 10 GLY H . . 4.320 3.837 3.722 3.897 . 0 0 "[ . 1 . 2]" 1
59 1 9 CYS HB2 1 16 PHE QD . . 4.590 3.871 3.513 4.508 . 0 0 "[ . 1 . 2]" 1
60 1 9 CYS HB2 1 16 PHE QE . . 3.410 2.872 2.288 3.354 . 0 0 "[ . 1 . 2]" 1
61 1 9 CYS HB2 1 42 HIS H . . 4.450 4.234 3.980 4.483 0.033 13 0 "[ . 1 . 2]" 1
62 1 9 CYS HB2 1 42 HIS HE1 . . 2.770 2.257 1.984 2.675 . 0 0 "[ . 1 . 2]" 1
63 1 9 CYS HB3 1 10 GLY H . . 4.970 3.090 2.637 3.431 . 0 0 "[ . 1 . 2]" 1
64 1 9 CYS HB3 1 12 CYS H . . 4.190 2.670 2.296 2.966 . 0 0 "[ . 1 . 2]" 1
65 1 9 CYS HB3 1 13 ARG H . . 4.080 2.858 2.451 3.304 . 0 0 "[ . 1 . 2]" 1
66 1 9 CYS HB3 1 14 MET H . . 3.950 2.223 1.929 2.790 . 0 0 "[ . 1 . 2]" 1
67 1 9 CYS HB3 1 42 HIS HE1 . . 3.140 2.766 2.302 3.147 0.007 6 0 "[ . 1 . 2]" 1
68 1 10 GLY H 1 11 ILE H . . 3.760 2.036 1.907 2.168 . 0 0 "[ . 1 . 2]" 1
69 1 10 GLY H 1 16 PHE HZ . . 5.500 5.292 4.541 5.509 0.009 8 0 "[ . 1 . 2]" 1
70 1 10 GLY H 1 41 PHE QD . . 4.150 3.552 2.433 3.836 . 0 0 "[ . 1 . 2]" 1
71 1 10 GLY H 1 41 PHE QE . . 4.050 2.588 1.965 3.081 . 0 0 "[ . 1 . 2]" 1
72 1 10 GLY QA 1 11 ILE H . . 3.030 2.878 2.802 2.918 . 0 0 "[ . 1 . 2]" 1
73 1 10 GLY QA 1 41 PHE QE . . 3.610 2.933 2.420 3.225 . 0 0 "[ . 1 . 2]" 1
74 1 10 GLY HA2 1 12 CYS H . . 5.500 4.560 4.323 4.832 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLY HA2 1 41 PHE QE . . 4.400 4.174 3.479 4.413 0.013 9 0 "[ . 1 . 2]" 1
76 1 10 GLY HA3 1 12 CYS H . . 5.500 5.050 4.640 5.358 . 0 0 "[ . 1 . 2]" 1
77 1 10 GLY HA3 1 41 PHE QE . . 4.400 2.998 2.469 3.316 . 0 0 "[ . 1 . 2]" 1
78 1 11 ILE H 1 11 ILE HB . . 3.050 2.266 2.170 2.450 . 0 0 "[ . 1 . 2]" 1
79 1 11 ILE H 1 11 ILE MD . . 4.060 3.652 3.405 3.884 . 0 0 "[ . 1 . 2]" 1
80 1 11 ILE H 1 11 ILE QG . . 3.350 3.016 2.474 3.262 . 0 0 "[ . 1 . 2]" 1
81 1 11 ILE H 1 11 ILE MG . . 3.910 3.593 3.482 3.757 . 0 0 "[ . 1 . 2]" 1
82 1 11 ILE H 1 12 CYS H . . 3.020 2.391 2.026 2.617 . 0 0 "[ . 1 . 2]" 1
83 1 11 ILE H 1 41 PHE QD . . 3.830 3.633 3.241 3.840 0.010 9 0 "[ . 1 . 2]" 1
84 1 11 ILE H 1 41 PHE QE . . 3.740 2.491 2.018 3.760 0.020 15 0 "[ . 1 . 2]" 1
85 1 11 ILE H 1 45 CYS HB3 . . 5.490 5.160 4.760 5.389 . 0 0 "[ . 1 . 2]" 1
86 1 11 ILE HA 1 11 ILE MD . . 4.050 3.745 3.631 3.842 . 0 0 "[ . 1 . 2]" 1
87 1 11 ILE HA 1 11 ILE HG12 . . 3.460 2.633 2.463 2.819 . 0 0 "[ . 1 . 2]" 1
88 1 11 ILE HA 1 11 ILE QG . . 2.820 2.239 2.092 2.392 . 0 0 "[ . 1 . 2]" 1
89 1 11 ILE HA 1 11 ILE HG13 . . 3.460 2.445 2.156 2.828 . 0 0 "[ . 1 . 2]" 1
90 1 11 ILE HA 1 11 ILE MG . . 3.110 2.629 2.420 2.750 . 0 0 "[ . 1 . 2]" 1
91 1 11 ILE HB 1 11 ILE MD . . 3.240 2.211 2.070 2.405 . 0 0 "[ . 1 . 2]" 1
92 1 11 ILE HB 1 12 CYS H . . 3.100 2.808 2.595 3.054 . 0 0 "[ . 1 . 2]" 1
93 1 11 ILE HB 1 45 CYS HB2 . . 4.720 4.555 4.312 4.720 0.000 17 0 "[ . 1 . 2]" 1
94 1 11 ILE HB 1 45 CYS HB3 . . 3.380 3.192 2.894 3.383 0.003 12 0 "[ . 1 . 2]" 1
95 1 11 ILE MD 1 11 ILE MG . . 2.890 2.250 1.981 2.509 . 0 0 "[ . 1 . 2]" 1
96 1 11 ILE MD 1 12 CYS H . . 4.690 4.606 4.425 4.696 0.006 13 0 "[ . 1 . 2]" 1
97 1 11 ILE MD 1 41 PHE QD . . 3.740 2.108 1.773 2.775 . 0 0 "[ . 1 . 2]" 1
98 1 11 ILE MD 1 41 PHE QE . . 4.290 2.828 1.944 3.789 . 0 0 "[ . 1 . 2]" 1
99 1 11 ILE MD 1 42 HIS H . . 5.080 4.671 4.326 5.039 . 0 0 "[ . 1 . 2]" 1
100 1 11 ILE MD 1 45 CYS HB2 . . 3.920 3.509 3.121 3.924 0.004 8 0 "[ . 1 . 2]" 1
101 1 11 ILE MD 1 45 CYS HB3 . . 3.440 2.158 1.773 2.630 . 0 0 "[ . 1 . 2]" 1
102 1 11 ILE MD 1 46 ILE H . . 3.900 3.270 2.966 3.597 . 0 0 "[ . 1 . 2]" 1
103 1 11 ILE MD 1 46 ILE HA . . 3.130 2.685 2.388 2.974 . 0 0 "[ . 1 . 2]" 1
104 1 11 ILE MD 1 46 ILE MD . . 3.420 3.208 2.679 3.436 0.016 6 0 "[ . 1 . 2]" 1
105 1 11 ILE MD 1 49 TRP H . . 4.200 3.892 3.445 4.207 0.007 8 0 "[ . 1 . 2]" 1
106 1 11 ILE MD 1 49 TRP QB . . 3.230 2.424 2.128 2.759 . 0 0 "[ . 1 . 2]" 1
107 1 11 ILE QG 1 11 ILE MG . . 3.200 2.225 2.155 2.307 . 0 0 "[ . 1 . 2]" 1
108 1 11 ILE QG 1 12 CYS H . . 4.640 4.321 4.155 4.407 . 0 0 "[ . 1 . 2]" 1
109 1 11 ILE QG 1 41 PHE QD . . 4.840 3.356 3.081 3.673 . 0 0 "[ . 1 . 2]" 1
110 1 11 ILE QG 1 41 PHE QE . . 3.460 2.285 1.986 3.492 0.032 15 0 "[ . 1 . 2]" 1
111 1 11 ILE HG12 1 41 PHE QD . . 5.500 4.548 4.204 4.769 . 0 0 "[ . 1 . 2]" 1
112 1 11 ILE HG13 1 41 PHE QD . . 5.500 3.460 3.139 3.819 . 0 0 "[ . 1 . 2]" 1
113 1 11 ILE MG 1 12 CYS H . . 3.480 2.857 2.365 3.494 0.014 15 0 "[ . 1 . 2]" 1
114 1 11 ILE MG 1 12 CYS HA . . 4.030 3.512 3.335 3.874 . 0 0 "[ . 1 . 2]" 1
115 1 11 ILE MG 1 12 CYS QB . . 4.260 2.763 2.063 3.858 . 0 0 "[ . 1 . 2]" 1
116 1 11 ILE MG 1 45 CYS HA . . 3.990 3.806 3.341 4.006 0.016 15 0 "[ . 1 . 2]" 1
117 1 11 ILE MG 1 45 CYS HB3 . . 3.090 3.001 2.794 3.107 0.017 13 0 "[ . 1 . 2]" 1
118 1 11 ILE MG 1 49 TRP QB . . 4.820 4.486 3.881 4.820 . 19 0 "[ . 1 . 2]" 1
119 1 12 CYS H 1 12 CYS HB2 . . 4.040 3.543 2.715 3.915 . 0 0 "[ . 1 . 2]" 1
120 1 12 CYS H 1 12 CYS QB . . 3.290 2.947 2.661 3.194 . 0 0 "[ . 1 . 2]" 1
121 1 12 CYS H 1 12 CYS HB3 . . 4.040 3.369 2.932 3.908 . 0 0 "[ . 1 . 2]" 1
122 1 12 CYS H 1 14 MET H . . 4.690 3.504 3.128 3.980 . 0 0 "[ . 1 . 2]" 1
123 1 12 CYS H 1 41 PHE QD . . 5.370 5.221 4.749 5.377 0.007 10 0 "[ . 1 . 2]" 1
124 1 12 CYS H 1 41 PHE QE . . 5.500 4.680 4.235 5.552 0.052 13 0 "[ . 1 . 2]" 1
125 1 12 CYS H 1 42 HIS HE1 . . 4.780 4.183 3.435 4.792 0.012 13 0 "[ . 1 . 2]" 1
126 1 12 CYS H 1 45 CYS HB3 . . 5.500 5.422 5.244 5.507 0.007 16 0 "[ . 1 . 2]" 1
127 1 12 CYS HA 1 12 CYS QB . . 2.610 2.212 2.152 2.363 . 0 0 "[ . 1 . 2]" 1
128 1 12 CYS HA 1 13 ARG H . . 3.500 3.085 2.908 3.216 . 0 0 "[ . 1 . 2]" 1
129 1 12 CYS QB 1 13 ARG QG . . 4.610 4.251 3.907 4.568 . 0 0 "[ . 1 . 2]" 1
130 1 12 CYS QB 1 14 MET H . . 4.860 3.881 2.774 4.792 . 0 0 "[ . 1 . 2]" 1
131 1 12 CYS QB 1 21 PRO QB . . 4.190 3.668 2.821 4.194 0.004 15 0 "[ . 1 . 2]" 1
132 1 12 CYS QB 1 21 PRO QD . . 3.770 3.147 2.283 3.768 . 0 0 "[ . 1 . 2]" 1
133 1 12 CYS QB 1 21 PRO QG . . 3.900 2.264 1.957 2.839 . 0 0 "[ . 1 . 2]" 1
134 1 12 CYS HB2 1 21 PRO QG . . 4.500 2.703 2.102 3.744 . 0 0 "[ . 1 . 2]" 1
135 1 12 CYS HB3 1 21 PRO QG . . 4.500 2.701 1.973 3.572 . 0 0 "[ . 1 . 2]" 1
136 1 13 ARG H 1 13 ARG HA . . 2.720 2.307 2.277 2.329 . 0 0 "[ . 1 . 2]" 1
137 1 13 ARG H 1 13 ARG HB2 . . 4.070 3.883 3.681 3.976 . 0 0 "[ . 1 . 2]" 1
138 1 13 ARG H 1 13 ARG HB3 . . 4.070 3.304 2.925 3.893 . 0 0 "[ . 1 . 2]" 1
139 1 13 ARG H 1 13 ARG QD . . 4.960 2.997 2.034 4.181 . 0 0 "[ . 1 . 2]" 1
140 1 13 ARG H 1 13 ARG QG . . 3.650 2.920 2.447 3.682 0.032 7 0 "[ . 1 . 2]" 1
141 1 13 ARG H 1 14 MET H . . 3.240 3.050 2.854 3.317 0.077 15 0 "[ . 1 . 2]" 1
142 1 13 ARG HA 1 13 ARG QD . . 3.800 3.208 2.218 3.816 0.016 15 0 "[ . 1 . 2]" 1
143 1 13 ARG HA 1 13 ARG QG . . 3.460 3.322 3.102 3.482 0.022 6 0 "[ . 1 . 2]" 1
144 1 13 ARG QB 1 13 ARG QD . . 3.400 2.251 2.148 2.461 . 0 0 "[ . 1 . 2]" 1
145 1 13 ARG QD 1 14 MET H . . 4.890 4.260 3.632 4.793 . 0 0 "[ . 1 . 2]" 1
146 1 14 MET H 1 14 MET HB2 . . 3.830 3.045 2.209 3.470 . 0 0 "[ . 1 . 2]" 1
147 1 14 MET H 1 14 MET QB . . 3.210 2.246 2.149 2.397 . 0 0 "[ . 1 . 2]" 1
148 1 14 MET H 1 14 MET HB3 . . 3.830 2.460 2.196 3.529 . 0 0 "[ . 1 . 2]" 1
149 1 14 MET H 1 14 MET ME . . 4.810 4.609 4.216 4.827 0.017 8 0 "[ . 1 . 2]" 1
150 1 14 MET H 1 14 MET HG2 . . 4.640 4.334 3.661 4.651 0.011 15 0 "[ . 1 . 2]" 1
151 1 14 MET H 1 14 MET QG . . 3.780 3.702 2.971 3.921 0.141 6 0 "[ . 1 . 2]" 1
152 1 14 MET H 1 14 MET HG3 . . 4.640 4.102 3.142 4.530 . 0 0 "[ . 1 . 2]" 1
153 1 14 MET H 1 42 HIS HE1 . . 3.490 2.908 2.529 3.197 . 0 0 "[ . 1 . 2]" 1
154 1 14 MET HA 1 14 MET ME . . 3.480 2.637 2.034 3.481 0.001 1 0 "[ . 1 . 2]" 1
155 1 14 MET HA 1 14 MET HG2 . . 4.060 3.655 2.173 3.985 . 0 0 "[ . 1 . 2]" 1
156 1 14 MET HA 1 14 MET QG . . 3.380 2.966 2.142 3.288 . 0 0 "[ . 1 . 2]" 1
157 1 14 MET HA 1 14 MET HG3 . . 4.060 3.269 2.715 3.580 . 0 0 "[ . 1 . 2]" 1
158 1 14 MET HA 1 15 ALA H . . 2.710 2.247 2.156 2.702 . 0 0 "[ . 1 . 2]" 1
159 1 14 MET QB 1 14 MET ME . . 3.300 2.234 1.892 3.337 0.037 16 0 "[ . 1 . 2]" 1
160 1 14 MET QB 1 15 ALA H . . 3.650 3.395 1.927 3.687 0.037 10 0 "[ . 1 . 2]" 1
161 1 14 MET QB 1 42 HIS HE1 . . 2.940 2.071 1.767 2.308 . 0 0 "[ . 1 . 2]" 1
162 1 14 MET ME 1 14 MET QG . . 3.130 2.389 2.046 2.610 . 0 0 "[ . 1 . 2]" 1
163 1 14 MET ME 1 15 ALA H . . 4.480 2.778 1.730 3.763 . 0 0 "[ . 1 . 2]" 1
164 1 14 MET QG 1 15 ALA H . . 3.470 2.998 1.944 3.519 0.049 14 0 "[ . 1 . 2]" 1
165 1 14 MET QG 1 42 HIS HE1 . . 3.150 2.970 2.352 3.213 0.063 16 0 "[ . 1 . 2]" 1
166 1 15 ALA H 1 15 ALA MB . . 2.660 2.167 2.028 2.408 . 0 0 "[ . 1 . 2]" 1
167 1 15 ALA HA 1 16 PHE H . . 2.810 2.153 2.141 2.212 . 0 0 "[ . 1 . 2]" 1
168 1 15 ALA HA 1 17 ASN H . . 4.350 3.628 3.551 3.737 . 0 0 "[ . 1 . 2]" 1
169 1 15 ALA HA 1 18 GLY H . . 5.120 4.955 4.747 5.088 . 0 0 "[ . 1 . 2]" 1
170 1 15 ALA MB 1 16 PHE H . . 3.210 3.147 2.944 3.234 0.024 8 0 "[ . 1 . 2]" 1
171 1 15 ALA MB 1 17 ASN H . . 3.150 2.567 2.345 2.701 . 0 0 "[ . 1 . 2]" 1
172 1 15 ALA MB 1 18 GLY H . . 3.480 3.411 3.185 3.484 0.004 18 0 "[ . 1 . 2]" 1
173 1 16 PHE H 1 16 PHE HB2 . . 3.290 2.571 2.552 2.636 . 0 0 "[ . 1 . 2]" 1
174 1 16 PHE H 1 16 PHE HB3 . . 3.820 3.593 3.589 3.598 . 0 0 "[ . 1 . 2]" 1
175 1 16 PHE H 1 16 PHE QD . . 3.620 3.015 2.401 3.126 . 0 0 "[ . 1 . 2]" 1
176 1 16 PHE H 1 16 PHE QE . . 5.380 4.339 4.105 4.405 . 0 0 "[ . 1 . 2]" 1
177 1 16 PHE H 1 16 PHE HZ . . 5.500 5.488 5.351 5.525 0.025 13 0 "[ . 1 . 2]" 1
178 1 16 PHE H 1 18 GLY H . . 4.540 4.405 4.243 4.544 0.004 20 0 "[ . 1 . 2]" 1
179 1 16 PHE HA 1 16 PHE QD . . 2.720 2.059 1.996 2.359 . 0 0 "[ . 1 . 2]" 1
180 1 16 PHE HA 1 16 PHE QE . . 4.530 4.345 4.307 4.490 . 0 0 "[ . 1 . 2]" 1
181 1 16 PHE HA 1 18 GLY H . . 4.390 3.418 3.288 3.578 . 0 0 "[ . 1 . 2]" 1
182 1 16 PHE HA 1 32 LEU MD1 . . 4.580 4.419 3.611 4.599 0.019 13 0 "[ . 1 . 2]" 1
183 1 16 PHE HA 1 32 LEU QD . . 3.900 2.654 2.001 3.188 . 0 0 "[ . 1 . 2]" 1
184 1 16 PHE HA 1 32 LEU MD2 . . 4.580 2.691 2.003 3.251 . 0 0 "[ . 1 . 2]" 1
185 1 16 PHE HB2 1 17 ASN H . . 3.320 3.094 2.928 3.273 . 0 0 "[ . 1 . 2]" 1
186 1 16 PHE HB2 1 32 LEU QD . . 3.390 3.185 3.000 3.396 0.006 16 0 "[ . 1 . 2]" 1
187 1 16 PHE HB3 1 32 LEU MD1 . . 3.930 3.513 2.828 3.858 . 0 0 "[ . 1 . 2]" 1
188 1 16 PHE HB3 1 32 LEU QD . . 2.980 1.859 1.758 2.105 . 0 0 "[ . 1 . 2]" 1
189 1 16 PHE HB3 1 32 LEU MD2 . . 3.930 1.868 1.765 2.118 . 0 0 "[ . 1 . 2]" 1
190 1 16 PHE HB3 1 34 TRP HE1 . . 5.500 5.366 4.908 5.515 0.015 13 0 "[ . 1 . 2]" 1
191 1 16 PHE HB3 1 34 TRP HZ2 . . 4.380 4.078 3.405 4.389 0.009 6 0 "[ . 1 . 2]" 1
192 1 16 PHE QD 1 32 LEU MD1 . . 3.960 3.205 2.268 3.853 . 0 0 "[ . 1 . 2]" 1
193 1 16 PHE QD 1 32 LEU QD . . 3.350 2.334 1.822 2.783 . 0 0 "[ . 1 . 2]" 1
194 1 16 PHE QD 1 32 LEU MD2 . . 3.960 2.507 1.828 3.115 . 0 0 "[ . 1 . 2]" 1
195 1 16 PHE QD 1 40 CYS QB . . 5.340 3.691 3.241 4.433 . 0 0 "[ . 1 . 2]" 1
196 1 16 PHE QE 1 32 LEU QD . . 4.000 3.109 2.372 3.405 . 0 0 "[ . 1 . 2]" 1
197 1 16 PHE QE 1 40 CYS QB . . 4.070 2.902 2.185 3.776 . 0 0 "[ . 1 . 2]" 1
198 1 16 PHE HZ 1 32 LEU MD1 . . 5.500 4.528 3.570 5.513 0.013 16 0 "[ . 1 . 2]" 1
199 1 16 PHE HZ 1 32 LEU QD . . 4.260 4.104 3.527 4.262 0.002 13 0 "[ . 1 . 2]" 1
200 1 16 PHE HZ 1 32 LEU MD2 . . 5.500 4.963 4.281 5.499 . 0 0 "[ . 1 . 2]" 1
201 1 16 PHE HZ 1 40 CYS H . . 4.180 3.497 3.159 3.941 . 0 0 "[ . 1 . 2]" 1
202 1 16 PHE HZ 1 40 CYS QB . . 4.510 2.905 2.206 3.852 . 0 0 "[ . 1 . 2]" 1
203 1 16 PHE HZ 1 41 PHE H . . 5.430 5.369 5.180 5.443 0.013 1 0 "[ . 1 . 2]" 1
204 1 16 PHE HZ 1 41 PHE HA . . 4.520 4.402 4.106 4.527 0.007 9 0 "[ . 1 . 2]" 1
205 1 17 ASN H 1 17 ASN HB2 . . 3.700 2.421 2.204 2.718 . 0 0 "[ . 1 . 2]" 1
206 1 17 ASN H 1 17 ASN QB . . 3.170 2.344 2.142 2.572 . 0 0 "[ . 1 . 2]" 1
207 1 17 ASN H 1 17 ASN HB3 . . 3.700 3.358 2.447 3.675 . 0 0 "[ . 1 . 2]" 1
208 1 17 ASN H 1 17 ASN QD . . 4.550 3.649 2.090 4.552 0.002 11 0 "[ . 1 . 2]" 1
209 1 17 ASN HA 1 17 ASN HD21 . . 4.550 2.869 2.068 3.674 . 0 0 "[ . 1 . 2]" 1
210 1 17 ASN HA 1 17 ASN QD . . 3.740 2.764 2.055 3.447 . 0 0 "[ . 1 . 2]" 1
211 1 17 ASN HA 1 17 ASN HD22 . . 4.550 3.812 3.498 4.191 . 0 0 "[ . 1 . 2]" 1
212 1 17 ASN HA 1 18 GLY H . . 3.380 3.075 2.894 3.392 0.012 16 0 "[ . 1 . 2]" 1
213 1 17 ASN QB 1 18 GLY H . . 4.190 3.630 3.135 3.818 . 0 0 "[ . 1 . 2]" 1
214 1 17 ASN HB2 1 18 GLY H . . 4.800 4.061 3.575 4.486 . 0 0 "[ . 1 . 2]" 1
215 1 17 ASN HB3 1 18 GLY H . . 4.800 4.186 3.289 4.513 . 0 0 "[ . 1 . 2]" 1
216 1 18 GLY H 1 19 CYS H . . 4.470 4.317 4.009 4.462 . 0 0 "[ . 1 . 2]" 1
217 1 18 GLY QA 1 19 CYS H . . 2.810 2.236 2.143 2.283 . 0 0 "[ . 1 . 2]" 1
218 1 18 GLY HA2 1 19 CYS H . . 3.310 2.662 2.303 3.052 . 0 0 "[ . 1 . 2]" 1
219 1 18 GLY HA3 1 19 CYS H . . 3.310 2.494 2.189 2.864 . 0 0 "[ . 1 . 2]" 1
220 1 19 CYS H 1 19 CYS QB . . 3.160 2.663 2.110 3.093 . 0 0 "[ . 1 . 2]" 1
221 1 19 CYS HA 1 20 CYS H . . 3.060 2.502 2.197 2.874 . 0 0 "[ . 1 . 2]" 1
222 1 19 CYS QB 1 20 CYS H . . 3.380 2.407 1.879 3.254 . 0 0 "[ . 1 . 2]" 1
223 1 20 CYS H 1 20 CYS HB2 . . 3.890 2.780 2.333 3.565 . 0 0 "[ . 1 . 2]" 1
224 1 20 CYS H 1 20 CYS QB . . 3.340 2.645 2.304 3.144 . 0 0 "[ . 1 . 2]" 1
225 1 20 CYS H 1 20 CYS HB3 . . 3.890 3.563 2.910 3.735 . 0 0 "[ . 1 . 2]" 1
226 1 20 CYS H 1 23 CYS HB2 . . 4.760 4.024 2.577 4.765 0.005 11 0 "[ . 1 . 2]" 1
227 1 20 CYS H 1 23 CYS QB . . 3.970 3.309 2.501 3.987 0.017 11 0 "[ . 1 . 2]" 1
228 1 20 CYS H 1 23 CYS HB3 . . 4.760 3.723 2.795 4.632 . 0 0 "[ . 1 . 2]" 1
229 1 20 CYS HA 1 20 CYS QB . . 2.600 2.303 2.154 2.440 . 0 0 "[ . 1 . 2]" 1
230 1 20 CYS HA 1 21 PRO QD . . 3.130 2.062 1.966 2.195 . 0 0 "[ . 1 . 2]" 1
231 1 20 CYS HA 1 23 CYS H . . 5.400 4.647 4.377 4.935 . 0 0 "[ . 1 . 2]" 1
232 1 20 CYS QB 1 21 PRO QD . . 3.130 2.148 1.934 2.595 . 0 0 "[ . 1 . 2]" 1
233 1 20 CYS QB 1 44 HIS HB2 . . 4.740 4.506 4.190 4.740 0.000 15 0 "[ . 1 . 2]" 1
234 1 20 CYS QB 1 45 CYS H . . 5.220 5.134 4.757 5.232 0.012 16 0 "[ . 1 . 2]" 1
235 1 21 PRO HA 1 23 CYS H . . 4.650 4.091 3.729 4.656 0.006 18 0 "[ . 1 . 2]" 1
236 1 21 PRO QB 1 22 ASP H . . 3.500 2.411 1.865 2.888 . 0 0 "[ . 1 . 2]" 1
237 1 21 PRO QB 1 23 CYS H . . 4.600 4.378 4.148 4.619 0.019 10 0 "[ . 1 . 2]" 1
238 1 21 PRO QD 1 22 ASP H . . 3.840 3.008 2.671 3.407 . 0 0 "[ . 1 . 2]" 1
239 1 21 PRO QD 1 23 CYS QB . . 4.280 4.140 3.714 4.333 0.053 10 0 "[ . 1 . 2]" 1
240 1 21 PRO HD2 1 22 ASP H . . 4.520 3.114 2.723 3.579 . 0 0 "[ . 1 . 2]" 1
241 1 21 PRO HD3 1 22 ASP H . . 4.520 4.050 3.861 4.277 . 0 0 "[ . 1 . 2]" 1
242 1 22 ASP H 1 22 ASP HB2 . . 4.080 2.604 2.199 3.543 . 0 0 "[ . 1 . 2]" 1
243 1 22 ASP H 1 22 ASP QB . . 3.340 2.354 2.174 2.781 . 0 0 "[ . 1 . 2]" 1
244 1 22 ASP H 1 22 ASP HB3 . . 4.080 3.179 2.196 3.629 . 0 0 "[ . 1 . 2]" 1
245 1 22 ASP H 1 23 CYS H . . 2.940 2.712 2.392 2.970 0.030 20 0 "[ . 1 . 2]" 1
246 1 22 ASP QB 1 23 CYS H . . 3.530 3.142 2.495 3.542 0.012 10 0 "[ . 1 . 2]" 1
247 1 23 CYS H 1 23 CYS HB2 . . 3.640 2.453 2.130 2.899 . 0 0 "[ . 1 . 2]" 1
248 1 23 CYS H 1 23 CYS QB . . 3.020 2.285 2.097 2.585 . 0 0 "[ . 1 . 2]" 1
249 1 23 CYS H 1 23 CYS HB3 . . 3.640 2.960 2.356 3.572 . 0 0 "[ . 1 . 2]" 1
250 1 23 CYS HA 1 24 LYS H . . 3.380 2.265 2.138 3.489 0.109 20 0 "[ . 1 . 2]" 1
251 1 23 CYS QB 1 24 LYS H . . 4.310 3.591 1.848 4.030 . 0 0 "[ . 1 . 2]" 1
252 1 23 CYS QB 1 25 VAL H . . 5.030 3.715 2.557 5.046 0.016 15 0 "[ . 1 . 2]" 1
253 1 24 LYS H 1 24 LYS QB . . 3.650 2.480 2.211 3.063 . 0 0 "[ . 1 . 2]" 1
254 1 24 LYS H 1 24 LYS QD . . 5.240 4.178 1.925 5.169 . 0 0 "[ . 1 . 2]" 1
255 1 24 LYS H 1 24 LYS QE . . 5.070 4.288 1.939 4.957 . 0 0 "[ . 1 . 2]" 1
256 1 24 LYS H 1 25 VAL QG . . 4.610 4.044 3.317 4.713 0.103 14 0 "[ . 1 . 2]" 1
257 1 24 LYS HA 1 24 LYS QD . . 4.340 3.613 2.063 4.347 0.007 2 0 "[ . 1 . 2]" 1
258 1 24 LYS HA 1 24 LYS QE . . 4.360 3.516 2.008 4.394 0.034 14 0 "[ . 1 . 2]" 1
259 1 24 LYS HA 1 24 LYS QG . . 3.960 2.889 2.160 3.418 . 0 0 "[ . 1 . 2]" 1
260 1 24 LYS QB 1 24 LYS QE . . 3.550 2.759 1.918 3.560 0.010 8 0 "[ . 1 . 2]" 1
261 1 24 LYS QB 1 25 VAL H . . 3.950 3.657 2.770 3.999 0.049 12 0 "[ . 1 . 2]" 1
262 1 24 LYS HB2 1 25 VAL H . . 4.530 4.281 3.622 4.531 0.001 5 0 "[ . 1 . 2]" 1
263 1 24 LYS HB3 1 25 VAL H . . 4.530 4.035 2.818 4.531 0.001 9 0 "[ . 1 . 2]" 1
264 1 24 LYS QE 1 24 LYS QG . . 2.790 2.163 1.956 2.796 0.006 9 0 "[ . 1 . 2]" 1
265 1 24 LYS QE 1 26 PRO HA . . 4.300 3.772 2.151 4.345 0.045 13 0 "[ . 1 . 2]" 1
266 1 24 LYS QG 1 25 VAL HA . . 5.360 4.449 3.007 5.365 0.005 10 0 "[ . 1 . 2]" 1
267 1 25 VAL H 1 25 VAL HB . . 3.760 3.078 2.133 3.844 0.084 13 0 "[ . 1 . 2]" 1
268 1 25 VAL H 1 25 VAL MG1 . . 4.250 3.303 2.018 4.021 . 0 0 "[ . 1 . 2]" 1
269 1 25 VAL H 1 25 VAL QG . . 3.440 2.626 2.010 3.273 . 0 0 "[ . 1 . 2]" 1
270 1 25 VAL H 1 25 VAL MG2 . . 4.250 3.160 2.269 4.006 . 0 0 "[ . 1 . 2]" 1
271 1 25 VAL H 1 26 PRO HD2 . . 5.500 4.182 3.163 4.838 . 0 0 "[ . 1 . 2]" 1
272 1 25 VAL H 1 26 PRO QD . . 4.740 3.535 2.433 4.345 . 0 0 "[ . 1 . 2]" 1
273 1 25 VAL H 1 26 PRO HD3 . . 5.500 3.864 2.528 4.965 . 0 0 "[ . 1 . 2]" 1
274 1 25 VAL HA 1 25 VAL MG1 . . 3.270 2.671 1.950 3.191 . 0 0 "[ . 1 . 2]" 1
275 1 25 VAL HA 1 25 VAL MG2 . . 3.270 2.464 1.960 3.179 . 0 0 "[ . 1 . 2]" 1
276 1 25 VAL HA 1 26 PRO HD2 . . 3.580 2.096 1.926 2.458 . 0 0 "[ . 1 . 2]" 1
277 1 25 VAL HA 1 26 PRO QD . . 3.060 1.967 1.878 2.124 . 0 0 "[ . 1 . 2]" 1
278 1 25 VAL HA 1 26 PRO HD3 . . 3.580 2.529 2.253 2.799 . 0 0 "[ . 1 . 2]" 1
279 1 25 VAL QG 1 26 PRO QD . . 3.160 2.616 1.792 3.198 0.038 13 0 "[ . 1 . 2]" 1
280 1 25 VAL MG1 1 26 PRO HD2 . . 4.640 3.269 1.814 4.613 . 0 0 "[ . 1 . 2]" 1
281 1 25 VAL MG1 1 26 PRO HD3 . . 4.640 4.032 3.054 4.654 0.014 20 0 "[ . 1 . 2]" 1
282 1 25 VAL MG2 1 26 PRO HD2 . . 4.640 3.384 1.807 4.626 . 0 0 "[ . 1 . 2]" 1
283 1 25 VAL MG2 1 26 PRO HD3 . . 4.640 4.188 3.150 4.637 . 0 0 "[ . 1 . 2]" 1
284 1 26 PRO QB 1 27 GLY H . . 4.070 3.501 2.855 3.983 . 0 0 "[ . 1 . 2]" 1
285 1 26 PRO HB2 1 27 GLY H . . 4.650 3.719 2.934 4.338 . 0 0 "[ . 1 . 2]" 1
286 1 26 PRO HB3 1 27 GLY H . . 4.650 4.310 3.795 4.638 . 0 0 "[ . 1 . 2]" 1
287 1 28 ASP HA 1 30 CYS H . . 4.970 4.554 3.619 4.973 0.003 5 0 "[ . 1 . 2]" 1
288 1 29 ASP H 1 29 ASP HB2 . . 3.660 2.736 2.275 3.754 0.094 19 0 "[ . 1 . 2]" 1
289 1 29 ASP H 1 29 ASP QB . . 2.800 2.465 2.249 2.821 0.021 15 0 "[ . 1 . 2]" 1
290 1 29 ASP H 1 29 ASP HB3 . . 3.660 3.251 2.524 3.656 . 0 0 "[ . 1 . 2]" 1
291 1 29 ASP HA 1 30 CYS H . . 3.500 2.518 2.193 3.556 0.056 8 0 "[ . 1 . 2]" 1
292 1 29 ASP QB 1 30 CYS H . . 4.020 3.698 1.968 4.033 0.013 19 0 "[ . 1 . 2]" 1
293 1 29 ASP HB2 1 30 CYS H . . 4.690 4.357 2.528 4.661 . 0 0 "[ . 1 . 2]" 1
294 1 29 ASP HB3 1 30 CYS H . . 4.690 4.083 1.978 4.653 . 0 0 "[ . 1 . 2]" 1
295 1 30 CYS H 1 30 CYS HB2 . . 3.980 3.133 2.621 3.903 . 0 0 "[ . 1 . 2]" 1
296 1 30 CYS H 1 30 CYS QB . . 3.380 2.785 2.390 3.306 . 0 0 "[ . 1 . 2]" 1
297 1 30 CYS H 1 30 CYS HB3 . . 3.980 3.439 2.425 3.991 0.011 8 0 "[ . 1 . 2]" 1
298 1 30 CYS H 1 31 PRO HD2 . . 4.510 3.394 2.956 4.483 . 0 0 "[ . 1 . 2]" 1
299 1 30 CYS H 1 31 PRO HD3 . . 4.510 2.555 1.949 4.217 . 0 0 "[ . 1 . 2]" 1
300 1 30 CYS HA 1 31 PRO HD2 . . 3.530 2.223 1.912 2.418 . 0 0 "[ . 1 . 2]" 1
301 1 30 CYS HA 1 31 PRO QD . . 3.050 2.173 1.854 2.361 . 0 0 "[ . 1 . 2]" 1
302 1 30 CYS HA 1 31 PRO HD3 . . 3.530 3.061 2.493 3.307 . 0 0 "[ . 1 . 2]" 1
303 1 30 CYS HA 1 44 HIS HE1 . . 3.310 2.683 2.044 3.324 0.014 15 0 "[ . 1 . 2]" 1
304 1 30 CYS QB 1 44 HIS HE1 . . 3.350 2.890 1.788 3.354 0.004 9 0 "[ . 1 . 2]" 1
305 1 31 PRO QB 1 32 LEU H . . 3.320 2.322 1.932 2.489 . 0 0 "[ . 1 . 2]" 1
306 1 31 PRO HB2 1 32 LEU H . . 3.830 2.373 1.949 2.556 . 0 0 "[ . 1 . 2]" 1
307 1 31 PRO HB3 1 32 LEU H . . 3.830 3.343 3.163 3.426 . 0 0 "[ . 1 . 2]" 1
308 1 31 PRO QD 1 44 HIS HE1 . . 4.440 4.074 3.294 4.442 0.002 8 0 "[ . 1 . 2]" 1
309 1 31 PRO QG 1 32 LEU H . . 4.120 3.985 3.642 4.127 0.007 15 0 "[ . 1 . 2]" 1
310 1 32 LEU H 1 32 LEU HB2 . . 3.900 3.710 3.465 3.894 . 0 0 "[ . 1 . 2]" 1
311 1 32 LEU H 1 32 LEU QB . . 3.060 2.720 2.442 3.078 0.018 16 0 "[ . 1 . 2]" 1
312 1 32 LEU H 1 32 LEU HB3 . . 3.900 2.822 2.480 3.437 . 0 0 "[ . 1 . 2]" 1
313 1 32 LEU H 1 32 LEU MD1 . . 4.410 3.803 2.221 4.202 . 0 0 "[ . 1 . 2]" 1
314 1 32 LEU H 1 32 LEU QD . . 3.770 2.880 2.025 3.365 . 0 0 "[ . 1 . 2]" 1
315 1 32 LEU H 1 32 LEU MD2 . . 4.410 3.159 2.030 3.654 . 0 0 "[ . 1 . 2]" 1
316 1 32 LEU H 1 32 LEU HG . . 3.110 2.592 1.948 3.049 . 0 0 "[ . 1 . 2]" 1
317 1 32 LEU HA 1 32 LEU MD1 . . 4.090 3.589 3.287 4.010 . 0 0 "[ . 1 . 2]" 1
318 1 32 LEU HA 1 32 LEU QD . . 3.490 3.325 3.161 3.447 . 0 0 "[ . 1 . 2]" 1
319 1 32 LEU HA 1 32 LEU MD2 . . 4.090 4.006 3.738 4.105 0.015 11 0 "[ . 1 . 2]" 1
320 1 32 LEU HA 1 32 LEU HG . . 3.900 3.616 3.450 3.657 . 0 0 "[ . 1 . 2]" 1
321 1 32 LEU HA 1 33 VAL H . . 2.940 2.488 2.361 2.751 . 0 0 "[ . 1 . 2]" 1
322 1 32 LEU HA 1 42 HIS H . . 5.010 4.783 4.671 5.010 0.000 8 0 "[ . 1 . 2]" 1
323 1 32 LEU QB 1 32 LEU QD . . 2.620 1.774 1.708 1.860 . 0 0 "[ . 1 . 2]" 1
324 1 32 LEU QB 1 33 VAL H . . 3.250 2.393 1.973 2.753 . 0 0 "[ . 1 . 2]" 1
325 1 32 LEU QB 1 42 HIS H . . 4.000 3.595 3.335 3.995 . 0 0 "[ . 1 . 2]" 1
326 1 32 LEU QB 1 42 HIS HA . . 2.690 2.113 1.955 2.590 . 0 0 "[ . 1 . 2]" 1
327 1 32 LEU QB 1 43 MET H . . 4.150 3.482 3.274 3.942 . 0 0 "[ . 1 . 2]" 1
328 1 32 LEU QD 1 33 VAL H . . 3.750 2.547 1.933 3.301 . 0 0 "[ . 1 . 2]" 1
329 1 32 LEU QD 1 34 TRP HE1 . . 4.680 3.179 2.768 3.628 . 0 0 "[ . 1 . 2]" 1
330 1 32 LEU QD 1 34 TRP HH2 . . 3.230 2.451 2.003 3.024 . 0 0 "[ . 1 . 2]" 1
331 1 32 LEU QD 1 34 TRP HZ2 . . 3.480 2.251 1.967 2.579 . 0 0 "[ . 1 . 2]" 1
332 1 32 LEU QD 1 41 PHE H . . 4.800 3.066 2.361 4.784 . 0 0 "[ . 1 . 2]" 1
333 1 32 LEU QD 1 42 HIS H . . 4.480 4.037 3.778 4.414 . 0 0 "[ . 1 . 2]" 1
334 1 32 LEU QD 1 43 MET H . . 4.620 4.362 3.971 4.670 0.050 15 0 "[ . 1 . 2]" 1
335 1 32 LEU MD1 1 33 VAL H . . 4.610 2.582 1.936 3.461 . 0 0 "[ . 1 . 2]" 1
336 1 32 LEU MD2 1 33 VAL H . . 4.610 4.397 4.033 4.603 . 0 0 "[ . 1 . 2]" 1
337 1 32 LEU HG 1 33 VAL H . . 4.660 3.768 2.668 4.664 0.004 15 0 "[ . 1 . 2]" 1
338 1 33 VAL H 1 33 VAL HB . . 4.070 3.001 2.800 3.433 . 0 0 "[ . 1 . 2]" 1
339 1 33 VAL H 1 33 VAL MG1 . . 4.020 2.554 2.027 3.957 . 0 0 "[ . 1 . 2]" 1
340 1 33 VAL H 1 33 VAL QG . . 3.310 2.262 2.020 2.755 . 0 0 "[ . 1 . 2]" 1
341 1 33 VAL H 1 33 VAL MG2 . . 4.020 3.613 2.292 3.912 . 0 0 "[ . 1 . 2]" 1
342 1 33 VAL H 1 42 HIS HA . . 3.490 2.695 2.437 3.014 . 0 0 "[ . 1 . 2]" 1
343 1 33 VAL H 1 43 MET H . . 4.340 2.695 2.331 3.322 . 0 0 "[ . 1 . 2]" 1
344 1 33 VAL HA 1 33 VAL MG1 . . 3.380 2.997 2.174 3.201 . 0 0 "[ . 1 . 2]" 1
345 1 33 VAL HA 1 33 VAL MG2 . . 3.380 2.318 2.087 2.576 . 0 0 "[ . 1 . 2]" 1
346 1 33 VAL HA 1 34 TRP H . . 2.770 2.246 2.205 2.312 . 0 0 "[ . 1 . 2]" 1
347 1 33 VAL HA 1 34 TRP HE3 . . 2.850 2.556 2.350 2.744 . 0 0 "[ . 1 . 2]" 1
348 1 33 VAL HA 1 34 TRP HZ3 . . 3.640 3.441 3.110 3.645 0.005 16 0 "[ . 1 . 2]" 1
349 1 33 VAL HB 1 34 TRP H . . 4.290 3.962 3.582 4.168 . 0 0 "[ . 1 . 2]" 1
350 1 33 VAL QG 1 34 TRP H . . 3.200 2.142 1.969 2.374 . 0 0 "[ . 1 . 2]" 1
351 1 33 VAL QG 1 34 TRP HA . . 4.250 3.500 3.325 3.950 . 0 0 "[ . 1 . 2]" 1
352 1 33 VAL QG 1 34 TRP HB2 . . 4.520 4.000 3.804 4.218 . 0 0 "[ . 1 . 2]" 1
353 1 33 VAL QG 1 35 GLY H . . 4.920 4.480 4.269 4.913 . 0 0 "[ . 1 . 2]" 1
354 1 33 VAL QG 1 43 MET H . . 4.230 2.657 2.088 3.176 . 0 0 "[ . 1 . 2]" 1
355 1 33 VAL QG 1 43 MET HA . . 2.390 1.947 1.771 2.326 . 0 0 "[ . 1 . 2]" 1
356 1 33 VAL QG 1 43 MET ME . . 3.360 3.177 2.051 3.367 0.007 16 0 "[ . 1 . 2]" 1
357 1 33 VAL QG 1 68 PHE QD . . 3.200 2.199 1.825 2.545 . 0 0 "[ . 1 . 2]" 1
358 1 33 VAL QG 1 68 PHE QE . . 3.190 2.650 2.287 2.958 . 0 0 "[ . 1 . 2]" 1
359 1 33 VAL QG 1 69 LYS H . . 4.750 4.185 3.953 4.414 . 0 0 "[ . 1 . 2]" 1
360 1 33 VAL MG1 1 34 TRP H . . 4.210 3.350 2.026 4.000 . 0 0 "[ . 1 . 2]" 1
361 1 33 VAL MG1 1 41 PHE H . . 4.960 3.407 2.925 4.900 . 0 0 "[ . 1 . 2]" 1
362 1 33 VAL MG1 1 43 MET ME . . 4.110 3.821 2.915 4.105 . 0 0 "[ . 1 . 2]" 1
363 1 33 VAL MG1 1 68 PHE QE . . 3.760 2.892 2.415 3.271 . 0 0 "[ . 1 . 2]" 1
364 1 33 VAL MG2 1 34 TRP H . . 4.210 2.533 1.977 4.122 . 0 0 "[ . 1 . 2]" 1
365 1 33 VAL MG2 1 41 PHE H . . 4.960 4.748 4.143 4.967 0.007 1 0 "[ . 1 . 2]" 1
366 1 33 VAL MG2 1 43 MET ME . . 4.110 3.439 2.096 3.964 . 0 0 "[ . 1 . 2]" 1
367 1 33 VAL MG2 1 68 PHE QE . . 3.760 3.109 2.782 3.724 . 0 0 "[ . 1 . 2]" 1
368 1 34 TRP H 1 34 TRP HB2 . . 3.420 2.470 2.404 2.518 . 0 0 "[ . 1 . 2]" 1
369 1 34 TRP H 1 34 TRP HB3 . . 3.860 3.674 3.627 3.706 . 0 0 "[ . 1 . 2]" 1
370 1 34 TRP H 1 34 TRP HD1 . . 5.500 5.316 5.187 5.459 . 0 0 "[ . 1 . 2]" 1
371 1 34 TRP H 1 34 TRP HE3 . . 4.200 2.140 1.947 2.438 . 0 0 "[ . 1 . 2]" 1
372 1 34 TRP H 1 66 TRP HH2 . . 5.500 5.003 4.627 5.267 . 0 0 "[ . 1 . 2]" 1
373 1 34 TRP H 1 69 LYS HB3 . . 4.650 4.408 4.141 4.622 . 0 0 "[ . 1 . 2]" 1
374 1 34 TRP HA 1 34 TRP HD1 . . 4.610 3.476 3.360 3.568 . 0 0 "[ . 1 . 2]" 1
375 1 34 TRP HA 1 34 TRP HE1 . . 5.500 5.097 5.021 5.157 . 0 0 "[ . 1 . 2]" 1
376 1 34 TRP HA 1 34 TRP HE3 . . 4.420 4.070 3.920 4.200 . 0 0 "[ . 1 . 2]" 1
377 1 34 TRP HA 1 35 GLY H . . 2.840 2.343 2.287 2.444 . 0 0 "[ . 1 . 2]" 1
378 1 34 TRP HA 1 41 PHE H . . 3.970 3.184 2.932 3.468 . 0 0 "[ . 1 . 2]" 1
379 1 34 TRP HA 1 66 TRP HH2 . . 4.880 4.780 4.376 4.893 0.013 17 0 "[ . 1 . 2]" 1
380 1 34 TRP HB2 1 34 TRP HZ3 . . 5.240 5.074 5.022 5.120 . 0 0 "[ . 1 . 2]" 1
381 1 34 TRP HB3 1 34 TRP HD1 . . 2.950 2.592 2.574 2.617 . 0 0 "[ . 1 . 2]" 1
382 1 34 TRP HB3 1 35 GLY H . . 3.400 2.602 2.349 2.769 . 0 0 "[ . 1 . 2]" 1
383 1 34 TRP HB3 1 69 LYS HB3 . . 3.760 3.739 3.553 3.775 0.015 16 0 "[ . 1 . 2]" 1
384 1 34 TRP HB3 1 69 LYS QG . . 4.870 4.150 3.661 4.837 . 0 0 "[ . 1 . 2]" 1
385 1 34 TRP HD1 1 40 CYS QB . . 3.170 2.448 1.969 3.179 0.009 9 0 "[ . 1 . 2]" 1
386 1 34 TRP HE1 1 40 CYS HA . . 5.500 4.858 4.412 5.520 0.020 13 0 "[ . 1 . 2]" 1
387 1 34 TRP HE1 1 40 CYS HB2 . . 4.370 3.647 2.385 4.372 0.002 9 0 "[ . 1 . 2]" 1
388 1 34 TRP HE1 1 40 CYS QB . . 3.500 2.696 2.350 3.246 . 0 0 "[ . 1 . 2]" 1
389 1 34 TRP HE1 1 40 CYS HB3 . . 4.370 2.865 2.407 3.762 . 0 0 "[ . 1 . 2]" 1
390 1 35 GLY H 1 35 GLY HA3 . . 2.910 2.434 2.402 2.507 . 0 0 "[ . 1 . 2]" 1
391 1 35 GLY H 1 36 GLN H . . 4.540 4.500 4.441 4.543 0.003 9 0 "[ . 1 . 2]" 1
392 1 35 GLY H 1 39 HIS H . . 5.100 4.591 4.301 4.765 . 0 0 "[ . 1 . 2]" 1
393 1 35 GLY H 1 40 CYS H . . 5.500 5.016 4.848 5.116 . 0 0 "[ . 1 . 2]" 1
394 1 35 GLY H 1 40 CYS HA . . 4.210 3.405 3.176 3.675 . 0 0 "[ . 1 . 2]" 1
395 1 35 GLY H 1 66 TRP HH2 . . 4.590 4.597 4.558 4.621 0.031 3 0 "[ . 1 . 2]" 1
396 1 35 GLY HA2 1 36 GLN H . . 2.870 2.483 2.386 2.614 . 0 0 "[ . 1 . 2]" 1
397 1 35 GLY HA2 1 36 GLN QE . . 3.860 3.368 2.983 3.873 0.013 9 0 "[ . 1 . 2]" 1
398 1 35 GLY HA2 1 37 CYS H . . 4.600 4.186 4.072 4.328 . 0 0 "[ . 1 . 2]" 1
399 1 35 GLY HA2 1 66 TRP HH2 . . 3.420 3.159 3.064 3.418 . 0 0 "[ . 1 . 2]" 1
400 1 35 GLY HA2 1 69 LYS H . . 3.290 2.363 2.203 2.460 . 0 0 "[ . 1 . 2]" 1
401 1 35 GLY HA2 1 69 LYS HB2 . . 4.080 2.677 2.100 2.944 . 0 0 "[ . 1 . 2]" 1
402 1 35 GLY HA2 1 69 LYS HB3 . . 3.680 2.495 2.139 2.917 . 0 0 "[ . 1 . 2]" 1
403 1 35 GLY HA3 1 36 GLN H . . 3.070 2.648 2.512 2.758 . 0 0 "[ . 1 . 2]" 1
404 1 35 GLY HA3 1 36 GLN HB3 . . 5.320 5.081 4.894 5.226 . 0 0 "[ . 1 . 2]" 1
405 1 35 GLY HA3 1 37 CYS H . . 3.770 3.201 3.118 3.293 . 0 0 "[ . 1 . 2]" 1
406 1 35 GLY HA3 1 39 HIS H . . 5.260 5.106 4.889 5.255 . 0 0 "[ . 1 . 2]" 1
407 1 35 GLY HA3 1 66 TRP HH2 . . 3.720 3.676 3.496 3.737 0.017 9 0 "[ . 1 . 2]" 1
408 1 35 GLY HA3 1 69 LYS H . . 4.040 3.995 3.800 4.059 0.019 11 0 "[ . 1 . 2]" 1
409 1 36 GLN H 1 36 GLN HB2 . . 3.680 3.603 3.578 3.616 . 0 0 "[ . 1 . 2]" 1
410 1 36 GLN H 1 36 GLN HB3 . . 2.880 2.481 2.392 2.603 . 0 0 "[ . 1 . 2]" 1
411 1 36 GLN H 1 36 GLN HE21 . . 5.500 2.051 1.883 2.740 . 0 0 "[ . 1 . 2]" 1
412 1 36 GLN H 1 36 GLN QE . . 4.680 1.962 1.803 2.442 . 0 0 "[ . 1 . 2]" 1
413 1 36 GLN H 1 36 GLN HE22 . . 5.500 2.713 2.244 3.848 . 0 0 "[ . 1 . 2]" 1
414 1 36 GLN H 1 36 GLN HG2 . . 3.940 3.176 2.381 3.719 . 0 0 "[ . 1 . 2]" 1
415 1 36 GLN H 1 36 GLN QG . . 3.410 2.991 2.359 3.328 . 0 0 "[ . 1 . 2]" 1
416 1 36 GLN H 1 36 GLN HG3 . . 3.940 3.820 3.715 3.968 0.028 13 0 "[ . 1 . 2]" 1
417 1 36 GLN H 1 37 CYS H . . 3.180 2.906 2.800 2.950 . 0 0 "[ . 1 . 2]" 1
418 1 36 GLN H 1 67 LYS H . . 3.810 3.556 3.330 3.718 . 0 0 "[ . 1 . 2]" 1
419 1 36 GLN H 1 67 LYS HB2 . . 4.370 3.767 2.255 4.305 . 0 0 "[ . 1 . 2]" 1
420 1 36 GLN H 1 67 LYS HB3 . . 4.370 2.676 2.348 3.501 . 0 0 "[ . 1 . 2]" 1
421 1 36 GLN H 1 67 LYS QD . . 5.500 5.229 4.098 5.506 0.006 17 0 "[ . 1 . 2]" 1
422 1 36 GLN H 1 67 LYS QG . . 5.020 4.091 3.470 4.750 . 0 0 "[ . 1 . 2]" 1
423 1 36 GLN H 1 69 LYS H . . 4.260 3.283 3.025 3.672 . 0 0 "[ . 1 . 2]" 1
424 1 36 GLN H 1 69 LYS QD . . 5.500 4.170 3.507 5.500 0.000 4 0 "[ . 1 . 2]" 1
425 1 36 GLN H 1 69 LYS QG . . 5.340 4.300 3.503 4.981 . 0 0 "[ . 1 . 2]" 1
426 1 36 GLN HA 1 36 GLN QE . . 4.440 3.925 3.636 4.296 . 0 0 "[ . 1 . 2]" 1
427 1 36 GLN HA 1 36 GLN QG . . 3.610 3.455 3.343 3.539 . 0 0 "[ . 1 . 2]" 1
428 1 36 GLN HB2 1 37 CYS H . . 3.940 3.859 3.666 3.953 0.013 9 0 "[ . 1 . 2]" 1
429 1 36 GLN HB3 1 36 GLN HE22 . . 5.500 3.817 3.418 4.132 . 0 0 "[ . 1 . 2]" 1
430 1 36 GLN HB3 1 37 CYS H . . 4.060 4.029 3.944 4.080 0.020 8 0 "[ . 1 . 2]" 1
431 1 36 GLN HB3 1 67 LYS H . . 4.700 4.301 3.941 4.561 . 0 0 "[ . 1 . 2]" 1
432 1 36 GLN HB3 1 67 LYS HA . . 5.140 5.087 4.868 5.145 0.005 13 0 "[ . 1 . 2]" 1
433 1 36 GLN QE 1 37 CYS H . . 4.880 2.893 1.893 3.933 . 0 0 "[ . 1 . 2]" 1
434 1 36 GLN QE 1 67 LYS QB . . 3.880 2.378 1.819 2.946 . 0 0 "[ . 1 . 2]" 1
435 1 36 GLN QE 1 68 PHE H . . 5.340 5.198 4.820 5.417 0.077 13 0 "[ . 1 . 2]" 1
436 1 36 GLN HE21 1 67 LYS HB2 . . 5.500 3.448 1.976 5.036 . 0 0 "[ . 1 . 2]" 1
437 1 36 GLN HE21 1 67 LYS HB3 . . 5.500 3.105 1.945 4.925 . 0 0 "[ . 1 . 2]" 1
438 1 36 GLN HE22 1 67 LYS HB2 . . 5.500 3.518 2.047 4.223 . 0 0 "[ . 1 . 2]" 1
439 1 36 GLN HE22 1 67 LYS HB3 . . 5.500 3.387 2.873 4.557 . 0 0 "[ . 1 . 2]" 1
440 1 36 GLN QG 1 37 CYS H . . 3.840 2.238 1.944 2.669 . 0 0 "[ . 1 . 2]" 1
441 1 36 GLN QG 1 37 CYS QB . . 4.590 2.950 2.643 3.330 . 0 0 "[ . 1 . 2]" 1
442 1 36 GLN QG 1 67 LYS H . . 4.590 4.305 4.074 4.512 . 0 0 "[ . 1 . 2]" 1
443 1 36 GLN QG 1 67 LYS QB . . 4.140 3.376 3.093 3.672 . 0 0 "[ . 1 . 2]" 1
444 1 36 GLN HG2 1 37 CYS H . . 4.480 2.258 1.951 2.713 . 0 0 "[ . 1 . 2]" 1
445 1 36 GLN HG2 1 67 LYS HB2 . . 5.500 4.914 3.966 5.502 0.002 16 0 "[ . 1 . 2]" 1
446 1 36 GLN HG2 1 67 LYS HB3 . . 5.500 4.615 3.927 5.539 0.039 13 0 "[ . 1 . 2]" 1
447 1 36 GLN HG3 1 37 CYS H . . 4.480 3.776 3.129 4.003 . 0 0 "[ . 1 . 2]" 1
448 1 36 GLN HG3 1 67 LYS HB2 . . 5.500 4.116 3.657 5.449 . 0 0 "[ . 1 . 2]" 1
449 1 36 GLN HG3 1 67 LYS HB3 . . 5.500 4.254 3.539 5.205 . 0 0 "[ . 1 . 2]" 1
450 1 37 CYS H 1 37 CYS HB2 . . 3.950 3.678 3.560 3.777 . 0 0 "[ . 1 . 2]" 1
451 1 37 CYS H 1 37 CYS QB . . 3.090 2.957 2.784 3.077 . 0 0 "[ . 1 . 2]" 1
452 1 37 CYS H 1 37 CYS HB3 . . 3.950 3.125 2.873 3.367 . 0 0 "[ . 1 . 2]" 1
453 1 37 CYS H 1 39 HIS H . . 5.500 3.942 3.834 4.076 . 0 0 "[ . 1 . 2]" 1
454 1 37 CYS QB 1 38 SER H . . 3.660 2.023 1.916 2.201 . 0 0 "[ . 1 . 2]" 1
455 1 37 CYS QB 1 39 HIS H . . 4.750 2.881 2.541 3.277 . 0 0 "[ . 1 . 2]" 1
456 1 37 CYS HB2 1 38 SER H . . 4.380 2.037 1.929 2.218 . 0 0 "[ . 1 . 2]" 1
457 1 37 CYS HB3 1 38 SER H . . 4.380 3.453 3.183 3.696 . 0 0 "[ . 1 . 2]" 1
458 1 38 SER H 1 38 SER HA . . 2.940 2.748 2.693 2.832 . 0 0 "[ . 1 . 2]" 1
459 1 39 HIS H 1 39 HIS HB2 . . 3.540 2.804 2.689 2.984 . 0 0 "[ . 1 . 2]" 1
460 1 39 HIS H 1 39 HIS QB . . 2.840 2.224 2.114 2.272 . 0 0 "[ . 1 . 2]" 1
461 1 39 HIS H 1 39 HIS HB3 . . 3.540 2.339 2.162 2.450 . 0 0 "[ . 1 . 2]" 1
462 1 39 HIS H 1 39 HIS HD2 . . 5.420 5.228 5.119 5.337 . 0 0 "[ . 1 . 2]" 1
463 1 39 HIS HA 1 39 HIS HD2 . . 3.240 3.086 2.865 3.258 0.018 5 0 "[ . 1 . 2]" 1
464 1 39 HIS HA 1 40 CYS H . . 2.890 2.146 2.139 2.200 . 0 0 "[ . 1 . 2]" 1
465 1 39 HIS QB 1 39 HIS HE1 . . 4.460 4.385 4.360 4.408 . 0 0 "[ . 1 . 2]" 1
466 1 39 HIS HB2 1 40 CYS H . . 4.630 4.080 3.851 4.176 . 0 0 "[ . 1 . 2]" 1
467 1 39 HIS HB3 1 40 CYS H . . 4.630 4.443 4.234 4.521 . 0 0 "[ . 1 . 2]" 1
468 1 39 HIS HD2 1 40 CYS H . . 3.550 3.121 1.966 3.543 . 0 0 "[ . 1 . 2]" 1
469 1 39 HIS HD2 1 61 MET ME . . 3.660 3.290 2.301 3.669 0.009 15 0 "[ . 1 . 2]" 1
470 1 39 HIS HE1 1 40 CYS HA . . 5.410 5.266 5.019 5.418 0.008 6 0 "[ . 1 . 2]" 1
471 1 39 HIS HE1 1 41 PHE H . . 4.730 4.606 4.203 4.746 0.016 13 0 "[ . 1 . 2]" 1
472 1 40 CYS H 1 40 CYS HB2 . . 4.020 3.461 2.865 3.953 . 0 0 "[ . 1 . 2]" 1
473 1 40 CYS H 1 40 CYS QB . . 3.500 3.085 2.597 3.301 . 0 0 "[ . 1 . 2]" 1
474 1 40 CYS H 1 40 CYS HB3 . . 4.020 3.532 2.741 3.837 . 0 0 "[ . 1 . 2]" 1
475 1 40 CYS H 1 41 PHE QD . . 4.950 3.044 2.705 3.877 . 0 0 "[ . 1 . 2]" 1
476 1 40 CYS H 1 41 PHE QE . . 5.500 3.710 3.417 4.076 . 0 0 "[ . 1 . 2]" 1
477 1 40 CYS HA 1 41 PHE H . . 2.730 2.144 2.138 2.172 . 0 0 "[ . 1 . 2]" 1
478 1 40 CYS QB 1 41 PHE H . . 3.950 3.408 3.140 3.960 0.010 16 0 "[ . 1 . 2]" 1
479 1 40 CYS HB2 1 41 PHE H . . 4.660 3.757 3.433 4.461 . 0 0 "[ . 1 . 2]" 1
480 1 40 CYS HB3 1 41 PHE H . . 4.660 3.962 3.346 4.429 . 0 0 "[ . 1 . 2]" 1
481 1 41 PHE H 1 41 PHE HB2 . . 3.580 2.617 2.469 2.763 . 0 0 "[ . 1 . 2]" 1
482 1 41 PHE H 1 41 PHE QD . . 4.140 3.235 2.980 3.726 . 0 0 "[ . 1 . 2]" 1
483 1 41 PHE H 1 46 ILE HB . . 5.400 4.752 4.306 4.934 . 0 0 "[ . 1 . 2]" 1
484 1 41 PHE HA 1 41 PHE QD . . 3.910 2.848 1.938 3.031 . 0 0 "[ . 1 . 2]" 1
485 1 41 PHE HA 1 41 PHE QE . . 4.760 4.470 4.294 4.523 . 0 0 "[ . 1 . 2]" 1
486 1 41 PHE HA 1 42 HIS H . . 3.100 2.269 2.200 2.424 . 0 0 "[ . 1 . 2]" 1
487 1 41 PHE HA 1 42 HIS HE1 . . 5.500 5.075 4.629 5.532 0.032 16 0 "[ . 1 . 2]" 1
488 1 41 PHE HB2 1 42 HIS H . . 4.230 4.084 3.580 4.241 0.011 19 0 "[ . 1 . 2]" 1
489 1 41 PHE HB2 1 46 ILE H . . 4.360 4.261 3.433 4.385 0.025 2 0 "[ . 1 . 2]" 1
490 1 41 PHE HB2 1 46 ILE HB . . 3.680 2.474 1.997 2.598 . 0 0 "[ . 1 . 2]" 1
491 1 41 PHE HB2 1 46 ILE HG12 . . 4.190 3.760 3.581 3.875 . 0 0 "[ . 1 . 2]" 1
492 1 41 PHE HB3 1 42 HIS H . . 3.190 2.865 2.390 3.094 . 0 0 "[ . 1 . 2]" 1
493 1 41 PHE HB3 1 46 ILE H . . 3.670 2.964 2.784 3.203 . 0 0 "[ . 1 . 2]" 1
494 1 41 PHE HB3 1 46 ILE HB . . 3.800 2.198 1.992 3.006 . 0 0 "[ . 1 . 2]" 1
495 1 41 PHE HB3 1 46 ILE HG12 . . 5.500 4.445 4.223 5.304 . 0 0 "[ . 1 . 2]" 1
496 1 41 PHE QD 1 42 HIS H . . 4.760 3.841 3.595 4.039 . 0 0 "[ . 1 . 2]" 1
497 1 41 PHE QD 1 46 ILE H . . 5.500 3.787 3.353 4.604 . 0 0 "[ . 1 . 2]" 1
498 1 41 PHE QD 1 46 ILE MG . . 4.680 4.318 4.114 4.475 . 0 0 "[ . 1 . 2]" 1
499 1 41 PHE QE 1 60 PRO QB . . 4.280 4.200 3.393 4.311 0.031 11 0 "[ . 1 . 2]" 1
500 1 41 PHE HZ 1 61 MET QG . . 3.880 3.578 2.194 3.893 0.013 2 0 "[ . 1 . 2]" 1
501 1 42 HIS H 1 42 HIS HB2 . . 3.530 2.764 2.592 2.893 . 0 0 "[ . 1 . 2]" 1
502 1 42 HIS H 1 42 HIS HB3 . . 3.710 3.565 3.528 3.593 . 0 0 "[ . 1 . 2]" 1
503 1 42 HIS H 1 42 HIS HD2 . . 5.070 3.947 3.189 4.658 . 0 0 "[ . 1 . 2]" 1
504 1 42 HIS H 1 42 HIS HE1 . . 4.580 4.161 3.808 4.521 . 0 0 "[ . 1 . 2]" 1
505 1 42 HIS H 1 43 MET H . . 4.540 4.552 4.517 4.578 0.038 11 0 "[ . 1 . 2]" 1
506 1 42 HIS H 1 45 CYS HB2 . . 3.970 3.037 2.707 3.290 . 0 0 "[ . 1 . 2]" 1
507 1 42 HIS H 1 45 CYS HB3 . . 4.670 4.044 3.724 4.275 . 0 0 "[ . 1 . 2]" 1
508 1 42 HIS HA 1 42 HIS HD2 . . 3.790 3.258 2.847 3.609 . 0 0 "[ . 1 . 2]" 1
509 1 42 HIS HA 1 43 MET H . . 2.940 2.156 2.143 2.173 . 0 0 "[ . 1 . 2]" 1
510 1 42 HIS HB2 1 42 HIS HE1 . . 5.030 4.756 4.714 4.804 . 0 0 "[ . 1 . 2]" 1
511 1 42 HIS HB2 1 43 MET H . . 4.290 4.028 3.941 4.082 . 0 0 "[ . 1 . 2]" 1
512 1 42 HIS HB2 1 43 MET HB3 . . 5.500 5.440 5.290 5.537 0.037 13 0 "[ . 1 . 2]" 1
513 1 42 HIS HB2 1 44 HIS H . . 4.980 4.428 4.062 4.713 . 0 0 "[ . 1 . 2]" 1
514 1 42 HIS HB2 1 45 CYS H . . 3.540 2.570 2.327 2.766 . 0 0 "[ . 1 . 2]" 1
515 1 42 HIS HB3 1 42 HIS HD2 . . 3.200 2.916 2.734 3.136 . 0 0 "[ . 1 . 2]" 1
516 1 42 HIS HB3 1 43 MET H . . 4.830 3.317 3.181 3.438 . 0 0 "[ . 1 . 2]" 1
517 1 42 HIS HB3 1 43 MET HB3 . . 4.820 4.646 4.455 4.807 . 0 0 "[ . 1 . 2]" 1
518 1 42 HIS HB3 1 44 HIS H . . 4.590 4.110 3.574 4.506 . 0 0 "[ . 1 . 2]" 1
519 1 42 HIS HB3 1 45 CYS H . . 3.790 3.498 3.224 3.785 . 0 0 "[ . 1 . 2]" 1
520 1 43 MET H 1 43 MET HB2 . . 3.320 2.715 2.565 2.864 . 0 0 "[ . 1 . 2]" 1
521 1 43 MET H 1 43 MET HB3 . . 3.520 2.421 2.288 2.555 . 0 0 "[ . 1 . 2]" 1
522 1 43 MET H 1 43 MET ME . . 5.490 5.278 4.888 5.394 . 0 0 "[ . 1 . 2]" 1
523 1 43 MET H 1 43 MET HG2 . . 4.920 4.433 4.261 4.582 . 0 0 "[ . 1 . 2]" 1
524 1 43 MET H 1 43 MET HG3 . . 4.830 4.432 4.417 4.450 . 0 0 "[ . 1 . 2]" 1
525 1 43 MET HA 1 43 MET ME . . 3.800 3.510 2.810 3.748 . 0 0 "[ . 1 . 2]" 1
526 1 43 MET HA 1 43 MET HG2 . . 3.830 3.771 3.746 3.802 . 0 0 "[ . 1 . 2]" 1
527 1 43 MET HA 1 43 MET HG3 . . 3.520 2.721 2.597 2.837 . 0 0 "[ . 1 . 2]" 1
528 1 43 MET HA 1 46 ILE HB . . 5.330 4.991 4.797 5.120 . 0 0 "[ . 1 . 2]" 1
529 1 43 MET HA 1 46 ILE MG . . 2.850 2.425 2.275 2.545 . 0 0 "[ . 1 . 2]" 1
530 1 43 MET HB2 1 44 HIS H . . 3.890 3.623 3.487 3.802 . 0 0 "[ . 1 . 2]" 1
531 1 43 MET HB3 1 44 HIS H . . 3.500 2.208 1.967 2.493 . 0 0 "[ . 1 . 2]" 1
532 1 43 MET HB3 1 44 HIS HD2 . . 4.790 4.429 3.651 4.792 0.002 15 0 "[ . 1 . 2]" 1
533 1 43 MET ME 1 43 MET HG2 . . 3.410 3.145 3.036 3.257 . 0 0 "[ . 1 . 2]" 1
534 1 43 MET ME 1 47 LEU MD1 . . 3.100 1.977 1.789 2.311 . 0 0 "[ . 1 . 2]" 1
535 1 43 MET ME 1 47 LEU MD2 . . 3.750 3.704 3.549 3.764 0.014 16 0 "[ . 1 . 2]" 1
536 1 43 MET HG2 1 44 HIS H . . 4.860 2.464 2.077 2.735 . 0 0 "[ . 1 . 2]" 1
537 1 43 MET HG2 1 44 HIS HD2 . . 3.490 2.905 2.227 3.489 . 0 0 "[ . 1 . 2]" 1
538 1 43 MET HG2 1 47 LEU MD1 . . 4.470 3.872 3.556 4.258 . 0 0 "[ . 1 . 2]" 1
539 1 43 MET HG2 1 47 LEU MD2 . . 4.050 4.048 3.997 4.066 0.016 19 0 "[ . 1 . 2]" 1
540 1 43 MET HG3 1 44 HIS HD2 . . 4.700 4.167 3.478 4.506 . 0 0 "[ . 1 . 2]" 1
541 1 43 MET HG3 1 47 LEU H . . 4.320 4.113 3.897 4.303 . 0 0 "[ . 1 . 2]" 1
542 1 43 MET HG3 1 47 LEU MD1 . . 4.030 2.913 2.649 3.245 . 0 0 "[ . 1 . 2]" 1
543 1 43 MET HG3 1 47 LEU MD2 . . 3.660 3.648 3.508 3.682 0.022 15 0 "[ . 1 . 2]" 1
544 1 44 HIS H 1 44 HIS HB2 . . 3.510 2.886 2.621 2.974 . 0 0 "[ . 1 . 2]" 1
545 1 44 HIS H 1 44 HIS HB3 . . 3.920 3.553 3.533 3.592 . 0 0 "[ . 1 . 2]" 1
546 1 44 HIS H 1 44 HIS HD2 . . 4.290 3.313 2.832 3.651 . 0 0 "[ . 1 . 2]" 1
547 1 44 HIS H 1 44 HIS HE1 . . 5.500 4.384 4.169 4.823 . 0 0 "[ . 1 . 2]" 1
548 1 44 HIS H 1 45 CYS H . . 3.580 3.034 2.877 3.151 . 0 0 "[ . 1 . 2]" 1
549 1 44 HIS H 1 46 ILE MG . . 5.380 4.439 4.335 4.525 . 0 0 "[ . 1 . 2]" 1
550 1 44 HIS H 1 47 LEU H . . 5.500 4.858 4.804 4.884 . 0 0 "[ . 1 . 2]" 1
551 1 44 HIS H 1 47 LEU MD2 . . 5.500 4.552 4.274 4.808 . 0 0 "[ . 1 . 2]" 1
552 1 44 HIS HA 1 44 HIS HD2 . . 3.090 2.897 2.530 3.095 0.005 17 0 "[ . 1 . 2]" 1
553 1 44 HIS HA 1 47 LEU H . . 4.610 4.224 4.070 4.351 . 0 0 "[ . 1 . 2]" 1
554 1 44 HIS HA 1 47 LEU HB3 . . 3.800 2.533 2.374 2.705 . 0 0 "[ . 1 . 2]" 1
555 1 44 HIS HA 1 47 LEU MD2 . . 3.550 2.427 2.050 2.735 . 0 0 "[ . 1 . 2]" 1
556 1 44 HIS HA 1 48 LYS H . . 4.890 3.876 3.601 3.982 . 0 0 "[ . 1 . 2]" 1
557 1 44 HIS HB2 1 44 HIS HE1 . . 4.830 4.719 4.715 4.741 . 0 0 "[ . 1 . 2]" 1
558 1 44 HIS HB2 1 45 CYS H . . 3.530 2.314 2.248 2.384 . 0 0 "[ . 1 . 2]" 1
559 1 44 HIS HB2 1 46 ILE H . . 5.500 5.527 5.472 5.559 0.059 2 0 "[ . 1 . 2]" 1
560 1 44 HIS HB3 1 44 HIS HD2 . . 3.310 3.097 2.964 3.331 0.021 5 0 "[ . 1 . 2]" 1
561 1 44 HIS HB3 1 45 CYS H . . 3.850 3.649 3.495 3.730 . 0 0 "[ . 1 . 2]" 1
562 1 44 HIS HD2 1 47 LEU MD2 . . 4.040 3.713 3.322 4.042 0.002 16 0 "[ . 1 . 2]" 1
563 1 45 CYS H 1 45 CYS HB2 . . 3.080 2.355 2.213 2.428 . 0 0 "[ . 1 . 2]" 1
564 1 45 CYS H 1 45 CYS HB3 . . 3.590 3.567 3.511 3.593 0.003 17 0 "[ . 1 . 2]" 1
565 1 45 CYS H 1 46 ILE H . . 3.390 3.290 3.217 3.378 . 0 0 "[ . 1 . 2]" 1
566 1 45 CYS H 1 46 ILE MG . . 4.360 3.967 3.884 4.070 . 0 0 "[ . 1 . 2]" 1
567 1 45 CYS H 1 47 LEU H . . 4.760 4.399 4.327 4.472 . 0 0 "[ . 1 . 2]" 1
568 1 45 CYS H 1 47 LEU MD2 . . 5.440 5.271 5.016 5.453 0.013 16 0 "[ . 1 . 2]" 1
569 1 45 CYS HA 1 48 LYS HB2 . . 3.840 3.416 3.149 3.565 . 0 0 "[ . 1 . 2]" 1
570 1 45 CYS HB2 1 46 ILE H . . 3.360 2.124 2.044 2.285 . 0 0 "[ . 1 . 2]" 1
571 1 45 CYS HB3 1 46 ILE H . . 3.880 2.537 2.292 2.666 . 0 0 "[ . 1 . 2]" 1
572 1 45 CYS HB3 1 47 LEU H . . 5.500 5.247 5.075 5.325 . 0 0 "[ . 1 . 2]" 1
573 1 46 ILE H 1 46 ILE HB . . 3.110 2.525 2.494 2.548 . 0 0 "[ . 1 . 2]" 1
574 1 46 ILE H 1 46 ILE MD . . 4.180 4.081 4.016 4.117 . 0 0 "[ . 1 . 2]" 1
575 1 46 ILE H 1 46 ILE HG12 . . 4.880 4.680 4.670 4.688 . 0 0 "[ . 1 . 2]" 1
576 1 46 ILE H 1 46 ILE HG13 . . 5.050 4.469 4.448 4.510 . 0 0 "[ . 1 . 2]" 1
577 1 46 ILE H 1 46 ILE MG . . 2.970 2.077 2.028 2.156 . 0 0 "[ . 1 . 2]" 1
578 1 46 ILE H 1 47 LEU H . . 3.170 2.987 2.894 3.042 . 0 0 "[ . 1 . 2]" 1
579 1 46 ILE HA 1 46 ILE MD . . 2.970 2.105 1.969 2.200 . 0 0 "[ . 1 . 2]" 1
580 1 46 ILE HA 1 46 ILE HG12 . . 4.000 3.753 3.718 3.770 . 0 0 "[ . 1 . 2]" 1
581 1 46 ILE HA 1 46 ILE HG13 . . 4.050 2.957 2.882 3.047 . 0 0 "[ . 1 . 2]" 1
582 1 46 ILE HA 1 49 TRP H . . 4.430 3.159 3.096 3.282 . 0 0 "[ . 1 . 2]" 1
583 1 46 ILE HA 1 49 TRP QB . . 3.090 2.073 1.978 2.186 . 0 0 "[ . 1 . 2]" 1
584 1 46 ILE HB 1 46 ILE MD . . 3.390 2.350 2.304 2.421 . 0 0 "[ . 1 . 2]" 1
585 1 46 ILE HB 1 66 TRP HH2 . . 5.500 5.450 5.132 5.528 0.028 1 0 "[ . 1 . 2]" 1
586 1 46 ILE MD 1 46 ILE MG . . 3.300 3.236 3.218 3.254 . 0 0 "[ . 1 . 2]" 1
587 1 46 ILE MD 1 49 TRP H . . 4.330 4.207 4.069 4.295 . 0 0 "[ . 1 . 2]" 1
588 1 46 ILE MD 1 49 TRP HA . . 5.040 5.061 4.979 5.109 0.069 5 0 "[ . 1 . 2]" 1
589 1 46 ILE MD 1 49 TRP QB . . 3.440 2.490 2.374 2.553 . 0 0 "[ . 1 . 2]" 1
590 1 46 ILE MD 1 49 TRP HD1 . . 4.570 4.522 4.421 4.607 0.037 16 0 "[ . 1 . 2]" 1
591 1 46 ILE MD 1 49 TRP HE1 . . 5.040 4.587 4.450 4.717 . 0 0 "[ . 1 . 2]" 1
592 1 46 ILE MD 1 49 TRP HZ2 . . 4.430 4.127 3.993 4.262 . 0 0 "[ . 1 . 2]" 1
593 1 46 ILE MD 1 50 LEU H . . 4.310 4.032 3.823 4.202 . 0 0 "[ . 1 . 2]" 1
594 1 46 ILE MD 1 50 LEU HB2 . . 4.220 4.077 4.028 4.111 . 0 0 "[ . 1 . 2]" 1
595 1 46 ILE MD 1 50 LEU MD2 . . 4.330 4.425 4.406 4.441 0.111 9 0 "[ . 1 . 2]" 1
596 1 46 ILE MD 1 59 CYS HA . . 4.230 3.933 3.504 4.235 0.005 11 0 "[ . 1 . 2]" 1
597 1 46 ILE MD 1 60 PRO HD2 . . 3.540 3.178 2.744 3.543 0.003 5 0 "[ . 1 . 2]" 1
598 1 46 ILE MD 1 60 PRO HD3 . . 3.700 2.432 2.186 2.616 . 0 0 "[ . 1 . 2]" 1
599 1 46 ILE MD 1 60 PRO HG2 . . 4.240 3.336 3.072 3.612 . 0 0 "[ . 1 . 2]" 1
600 1 46 ILE MD 1 60 PRO HG3 . . 4.700 2.171 2.132 2.209 . 0 0 "[ . 1 . 2]" 1
601 1 46 ILE MD 1 66 TRP HH2 . . 4.860 4.664 4.356 4.839 . 0 0 "[ . 1 . 2]" 1
602 1 46 ILE HG12 1 46 ILE MG . . 3.200 2.334 2.295 2.395 . 0 0 "[ . 1 . 2]" 1
603 1 46 ILE HG12 1 49 TRP QB . . 5.460 4.901 4.823 4.970 . 0 0 "[ . 1 . 2]" 1
604 1 46 ILE HG12 1 60 PRO HG3 . . 4.650 4.678 4.642 4.698 0.048 13 0 "[ . 1 . 2]" 1
605 1 46 ILE HG13 1 46 ILE MG . . 3.200 2.433 2.348 2.490 . 0 0 "[ . 1 . 2]" 1
606 1 46 ILE HG13 1 50 LEU HB2 . . 5.180 4.547 4.404 4.663 . 0 0 "[ . 1 . 2]" 1
607 1 46 ILE HG13 1 66 TRP HH2 . . 5.190 5.064 4.825 5.185 . 0 0 "[ . 1 . 2]" 1
608 1 46 ILE MG 1 47 LEU H . . 2.400 1.725 1.716 1.744 . 0 0 "[ . 1 . 2]" 1
609 1 46 ILE MG 1 48 LYS H . . 5.040 4.140 4.072 4.209 . 0 0 "[ . 1 . 2]" 1
610 1 47 LEU H 1 47 LEU HB2 . . 3.360 2.571 2.518 2.666 . 0 0 "[ . 1 . 2]" 1
611 1 47 LEU H 1 47 LEU HB3 . . 2.850 2.487 2.410 2.531 . 0 0 "[ . 1 . 2]" 1
612 1 47 LEU H 1 47 LEU MD1 . . 4.420 4.222 4.179 4.293 . 0 0 "[ . 1 . 2]" 1
613 1 47 LEU H 1 47 LEU MD2 . . 4.190 4.138 4.027 4.191 0.001 11 0 "[ . 1 . 2]" 1
614 1 47 LEU H 1 47 LEU HG . . 5.030 4.459 4.444 4.464 . 0 0 "[ . 1 . 2]" 1
615 1 47 LEU H 1 48 LYS H . . 3.180 2.993 2.924 3.073 . 0 0 "[ . 1 . 2]" 1
616 1 47 LEU HA 1 47 LEU HB2 . . 2.400 2.371 2.329 2.396 . 0 0 "[ . 1 . 2]" 1
617 1 47 LEU HA 1 47 LEU MD1 . . 3.380 3.115 3.033 3.203 . 0 0 "[ . 1 . 2]" 1
618 1 47 LEU HA 1 47 LEU HG . . 3.560 2.720 2.658 2.848 . 0 0 "[ . 1 . 2]" 1
619 1 47 LEU HA 1 49 TRP H . . 4.980 4.478 4.375 4.663 . 0 0 "[ . 1 . 2]" 1
620 1 47 LEU HA 1 50 LEU H . . 4.290 3.798 3.738 3.888 . 0 0 "[ . 1 . 2]" 1
621 1 47 LEU HA 1 50 LEU MD2 . . 3.840 3.663 3.583 3.727 . 0 0 "[ . 1 . 2]" 1
622 1 47 LEU HA 1 51 HIS H . . 5.220 4.059 3.950 4.269 . 0 0 "[ . 1 . 2]" 1
623 1 47 LEU HA 1 68 PHE HZ . . 4.680 2.349 2.123 2.667 . 0 0 "[ . 1 . 2]" 1
624 1 47 LEU HB2 1 48 LYS H . . 4.110 3.902 3.811 3.982 . 0 0 "[ . 1 . 2]" 1
625 1 47 LEU HB2 1 68 PHE QE . . 4.480 3.337 3.105 3.511 . 0 0 "[ . 1 . 2]" 1
626 1 47 LEU HB2 1 68 PHE HZ . . 4.200 3.053 2.699 3.355 . 0 0 "[ . 1 . 2]" 1
627 1 47 LEU HB3 1 47 LEU MD1 . . 2.990 2.917 2.870 2.969 . 0 0 "[ . 1 . 2]" 1
628 1 47 LEU HB3 1 47 LEU MD2 . . 2.750 2.050 1.939 2.129 . 0 0 "[ . 1 . 2]" 1
629 1 47 LEU HB3 1 48 LYS H . . 3.830 2.528 2.395 2.648 . 0 0 "[ . 1 . 2]" 1
630 1 47 LEU HB3 1 48 LYS QE . . 5.500 3.639 2.556 4.973 . 0 0 "[ . 1 . 2]" 1
631 1 47 LEU HB3 1 68 PHE HZ . . 4.800 4.558 4.238 4.808 0.008 11 0 "[ . 1 . 2]" 1
632 1 47 LEU MD1 1 50 LEU MD2 . . 4.420 4.480 4.461 4.494 0.074 15 0 "[ . 1 . 2]" 1
633 1 47 LEU MD1 1 68 PHE QE . . 3.380 3.397 3.380 3.410 0.030 13 0 "[ . 1 . 2]" 1
634 1 47 LEU MD1 1 68 PHE HZ . . 2.840 2.799 2.613 2.851 0.011 8 0 "[ . 1 . 2]" 1
635 1 47 LEU MD2 1 48 LYS H . . 2.970 3.003 2.946 3.046 0.076 20 0 "[ . 1 . 2]" 1
636 1 47 LEU MD2 1 48 LYS HA . . 4.020 3.113 2.966 3.414 . 0 0 "[ . 1 . 2]" 1
637 1 47 LEU MD2 1 48 LYS HB2 . . 5.170 3.656 3.459 4.261 . 0 0 "[ . 1 . 2]" 1
638 1 47 LEU MD2 1 50 LEU H . . 5.500 5.576 5.554 5.656 0.156 17 0 "[ . 1 . 2]" 1
639 1 47 LEU HG 1 48 LYS H . . 3.950 3.841 3.633 3.966 0.016 2 0 "[ . 1 . 2]" 1
640 1 47 LEU HG 1 48 LYS QE . . 3.540 3.513 3.199 3.601 0.061 13 0 "[ . 1 . 2]" 1
641 1 47 LEU HG 1 51 HIS H . . 4.740 4.205 4.136 4.265 . 0 0 "[ . 1 . 2]" 1
642 1 47 LEU HG 1 68 PHE HZ . . 5.460 3.902 3.698 4.117 . 0 0 "[ . 1 . 2]" 1
643 1 48 LYS H 1 48 LYS HB2 . . 2.910 2.095 2.061 2.420 . 0 0 "[ . 1 . 2]" 1
644 1 48 LYS H 1 48 LYS HB3 . . 3.740 3.271 3.153 3.590 . 0 0 "[ . 1 . 2]" 1
645 1 48 LYS H 1 48 LYS QD . . 3.520 3.118 2.548 3.581 0.061 13 0 "[ . 1 . 2]" 1
646 1 48 LYS H 1 48 LYS QE . . 4.990 3.226 2.001 3.993 . 0 0 "[ . 1 . 2]" 1
647 1 48 LYS H 1 48 LYS QG . . 4.060 3.817 2.647 3.958 . 0 0 "[ . 1 . 2]" 1
648 1 48 LYS H 1 49 TRP H . . 3.060 2.563 2.495 2.671 . 0 0 "[ . 1 . 2]" 1
649 1 48 LYS H 1 49 TRP QB . . 4.600 4.216 4.164 4.304 . 0 0 "[ . 1 . 2]" 1
650 1 48 LYS H 1 50 LEU H . . 5.110 4.181 4.044 4.307 . 0 0 "[ . 1 . 2]" 1
651 1 48 LYS H 1 51 HIS QB . . 4.210 4.075 4.001 4.123 . 0 0 "[ . 1 . 2]" 1
652 1 48 LYS HA 1 48 LYS QD . . 3.750 2.396 1.963 2.940 . 0 0 "[ . 1 . 2]" 1
653 1 48 LYS HA 1 48 LYS QE . . 4.060 2.468 1.951 3.084 . 0 0 "[ . 1 . 2]" 1
654 1 48 LYS HA 1 48 LYS QG . . 3.450 2.457 2.212 3.090 . 0 0 "[ . 1 . 2]" 1
655 1 48 LYS HA 1 50 LEU H . . 4.740 4.104 3.886 4.311 . 0 0 "[ . 1 . 2]" 1
656 1 48 LYS HA 1 51 HIS H . . 3.530 3.025 2.896 3.121 . 0 0 "[ . 1 . 2]" 1
657 1 48 LYS HA 1 51 HIS QB . . 3.390 1.989 1.955 2.142 . 0 0 "[ . 1 . 2]" 1
658 1 48 LYS HB2 1 48 LYS QE . . 3.780 3.050 2.005 3.756 . 0 0 "[ . 1 . 2]" 1
659 1 48 LYS HB2 1 49 TRP H . . 3.340 3.181 2.586 3.349 0.009 5 0 "[ . 1 . 2]" 1
660 1 48 LYS HB2 1 49 TRP QB . . 5.500 4.819 4.234 4.983 . 0 0 "[ . 1 . 2]" 1
661 1 48 LYS HB3 1 48 LYS QE . . 4.270 3.727 2.329 4.175 . 0 0 "[ . 1 . 2]" 1
662 1 48 LYS HB3 1 49 TRP H . . 3.500 3.056 2.898 3.574 0.074 17 0 "[ . 1 . 2]" 1
663 1 48 LYS HB3 1 49 TRP QB . . 5.500 4.463 4.360 5.054 . 0 0 "[ . 1 . 2]" 1
664 1 48 LYS QD 1 49 TRP H . . 4.940 4.812 4.405 4.990 0.050 13 0 "[ . 1 . 2]" 1
665 1 48 LYS QD 1 51 HIS H . . 5.500 5.028 4.314 5.485 . 0 0 "[ . 1 . 2]" 1
666 1 48 LYS QE 1 48 LYS QG . . 3.230 2.424 1.966 2.914 . 0 0 "[ . 1 . 2]" 1
667 1 48 LYS QG 1 49 TRP H . . 4.790 4.490 4.167 4.596 . 0 0 "[ . 1 . 2]" 1
668 1 49 TRP H 1 49 TRP QB . . 2.620 2.110 2.097 2.138 . 0 0 "[ . 1 . 2]" 1
669 1 49 TRP H 1 49 TRP HD1 . . 5.500 5.326 5.294 5.341 . 0 0 "[ . 1 . 2]" 1
670 1 49 TRP H 1 50 LEU H . . 3.190 2.753 2.694 2.856 . 0 0 "[ . 1 . 2]" 1
671 1 49 TRP HA 1 49 TRP HD1 . . 4.810 3.485 3.415 3.529 . 0 0 "[ . 1 . 2]" 1
672 1 49 TRP HA 1 49 TRP HE3 . . 4.910 4.718 4.685 4.762 . 0 0 "[ . 1 . 2]" 1
673 1 49 TRP HA 1 51 HIS H . . 4.550 4.505 4.374 4.580 0.030 8 0 "[ . 1 . 2]" 1
674 1 49 TRP HA 1 52 ALA H . . 4.630 4.099 3.969 4.228 . 0 0 "[ . 1 . 2]" 1
675 1 49 TRP HA 1 52 ALA MB . . 4.110 3.363 3.111 3.716 . 0 0 "[ . 1 . 2]" 1
676 1 49 TRP HA 1 53 GLN H . . 5.380 4.751 3.325 5.392 0.012 18 0 "[ . 1 . 2]" 1
677 1 49 TRP QB 1 49 TRP HD1 . . 3.110 2.615 2.602 2.633 . 0 0 "[ . 1 . 2]" 1
678 1 49 TRP QB 1 49 TRP HE3 . . 3.910 2.551 2.526 2.571 . 0 0 "[ . 1 . 2]" 1
679 1 49 TRP QB 1 49 TRP HZ3 . . 5.000 4.791 4.773 4.806 . 0 0 "[ . 1 . 2]" 1
680 1 49 TRP QB 1 50 LEU H . . 3.050 2.916 2.786 3.028 . 0 0 "[ . 1 . 2]" 1
681 1 49 TRP HE1 1 50 LEU HB2 . . 5.360 5.429 5.344 5.510 0.150 18 0 "[ . 1 . 2]" 1
682 1 49 TRP HE1 1 59 CYS HA . . 5.290 5.325 5.302 5.359 0.069 13 0 "[ . 1 . 2]" 1
683 1 49 TRP HE1 1 60 PRO QB . . 4.830 2.505 2.349 2.710 . 0 0 "[ . 1 . 2]" 1
684 1 49 TRP HE1 1 60 PRO HD3 . . 4.690 4.058 3.803 4.403 . 0 0 "[ . 1 . 2]" 1
685 1 49 TRP HE1 1 60 PRO HG2 . . 5.420 5.312 5.202 5.479 0.059 6 0 "[ . 1 . 2]" 1
686 1 49 TRP HE1 1 60 PRO HG3 . . 5.500 4.491 4.269 4.886 . 0 0 "[ . 1 . 2]" 1
687 1 49 TRP HE3 1 50 LEU HA . . 5.330 4.009 3.960 4.047 . 0 0 "[ . 1 . 2]" 1
688 1 49 TRP HE3 1 60 PRO HD3 . . 4.890 4.371 3.942 4.641 . 0 0 "[ . 1 . 2]" 1
689 1 49 TRP HH2 1 60 PRO HD2 . . 4.390 4.072 3.954 4.202 . 0 0 "[ . 1 . 2]" 1
690 1 49 TRP HH2 1 60 PRO HD3 . . 3.970 2.883 2.738 3.054 . 0 0 "[ . 1 . 2]" 1
691 1 49 TRP HH2 1 60 PRO HG3 . . 5.500 5.015 4.817 5.166 . 0 0 "[ . 1 . 2]" 1
692 1 49 TRP HH2 1 66 TRP H . . 4.630 4.280 3.932 4.462 . 0 0 "[ . 1 . 2]" 1
693 1 49 TRP HH2 1 66 TRP HA . . 5.050 4.215 4.121 4.259 . 0 0 "[ . 1 . 2]" 1
694 1 49 TRP HH2 1 66 TRP HB2 . . 4.220 1.941 1.919 1.964 . 0 0 "[ . 1 . 2]" 1
695 1 49 TRP HH2 1 66 TRP HB3 . . 4.130 2.848 2.781 2.932 . 0 0 "[ . 1 . 2]" 1
696 1 49 TRP HH2 1 66 TRP HD1 . . 4.830 3.214 2.889 3.677 . 0 0 "[ . 1 . 2]" 1
697 1 49 TRP HH2 1 66 TRP HE1 . . 5.500 4.785 4.369 5.463 . 0 0 "[ . 1 . 2]" 1
698 1 49 TRP HZ2 1 60 PRO HA . . 5.090 3.269 2.722 3.960 . 0 0 "[ . 1 . 2]" 1
699 1 49 TRP HZ2 1 60 PRO QB . . 5.340 3.601 3.406 3.845 . 0 0 "[ . 1 . 2]" 1
700 1 49 TRP HZ2 1 60 PRO HD3 . . 3.730 2.708 2.556 2.907 . 0 0 "[ . 1 . 2]" 1
701 1 49 TRP HZ2 1 66 TRP H . . 5.500 5.573 5.519 5.604 0.104 18 0 "[ . 1 . 2]" 1
702 1 49 TRP HZ2 1 66 TRP HB2 . . 4.640 3.862 3.613 4.136 . 0 0 "[ . 1 . 2]" 1
703 1 49 TRP HZ3 1 66 TRP HB2 . . 4.570 3.623 3.072 3.932 . 0 0 "[ . 1 . 2]" 1
704 1 49 TRP HZ3 1 66 TRP HB3 . . 5.130 4.068 3.510 4.302 . 0 0 "[ . 1 . 2]" 1
705 1 49 TRP HZ3 1 66 TRP HD1 . . 5.500 2.668 2.439 2.786 . 0 0 "[ . 1 . 2]" 1
706 1 49 TRP HZ3 1 66 TRP HE1 . . 5.500 2.882 2.539 3.344 . 0 0 "[ . 1 . 2]" 1
707 1 50 LEU H 1 50 LEU HB2 . . 3.270 3.184 3.090 3.229 . 0 0 "[ . 1 . 2]" 1
708 1 50 LEU H 1 50 LEU HB3 . . 3.420 2.248 2.206 2.301 . 0 0 "[ . 1 . 2]" 1
709 1 50 LEU H 1 50 LEU MD2 . . 3.970 3.950 3.893 4.006 0.036 17 0 "[ . 1 . 2]" 1
710 1 50 LEU H 1 50 LEU HG . . 4.240 4.094 4.046 4.142 . 0 0 "[ . 1 . 2]" 1
711 1 50 LEU H 1 51 HIS H . . 3.120 2.124 2.033 2.230 . 0 0 "[ . 1 . 2]" 1
712 1 50 LEU H 1 52 ALA H . . 4.880 3.674 3.583 3.780 . 0 0 "[ . 1 . 2]" 1
713 1 50 LEU H 1 66 TRP HE1 . . 5.500 5.513 5.479 5.533 0.033 13 0 "[ . 1 . 2]" 1
714 1 50 LEU HA 1 50 LEU MD1 . . 3.080 2.726 2.637 2.832 . 0 0 "[ . 1 . 2]" 1
715 1 50 LEU HA 1 50 LEU MD2 . . 4.580 4.050 4.040 4.061 . 0 0 "[ . 1 . 2]" 1
716 1 50 LEU HA 1 52 ALA H . . 4.640 3.683 3.585 3.736 . 0 0 "[ . 1 . 2]" 1
717 1 50 LEU HA 1 53 GLN H . . 4.250 3.793 3.328 4.162 . 0 0 "[ . 1 . 2]" 1
718 1 50 LEU HB2 1 50 LEU MD1 . . 2.620 2.173 2.136 2.208 . 0 0 "[ . 1 . 2]" 1
719 1 50 LEU HB2 1 51 HIS H . . 4.880 4.275 4.240 4.325 . 0 0 "[ . 1 . 2]" 1
720 1 50 LEU HB2 1 52 ALA H . . 5.500 5.512 5.438 5.552 0.052 16 0 "[ . 1 . 2]" 1
721 1 50 LEU HB2 1 57 GLN HA . . 5.500 3.875 3.569 4.109 . 0 0 "[ . 1 . 2]" 1
722 1 50 LEU HB3 1 50 LEU MD1 . . 3.280 3.114 3.082 3.142 . 0 0 "[ . 1 . 2]" 1
723 1 50 LEU HB3 1 50 LEU MD2 . . 3.030 2.112 2.012 2.169 . 0 0 "[ . 1 . 2]" 1
724 1 50 LEU HB3 1 51 HIS H . . 3.750 3.133 3.067 3.227 . 0 0 "[ . 1 . 2]" 1
725 1 50 LEU HB3 1 52 ALA H . . 5.500 5.016 4.968 5.059 . 0 0 "[ . 1 . 2]" 1
726 1 50 LEU HB3 1 57 GLN HA . . 5.500 5.491 5.244 5.539 0.039 8 0 "[ . 1 . 2]" 1
727 1 50 LEU MD1 1 57 GLN HA . . 3.510 2.290 1.918 2.930 . 0 0 "[ . 1 . 2]" 1
728 1 50 LEU MD1 1 57 GLN HB2 . . 3.530 2.266 2.015 2.475 . 0 0 "[ . 1 . 2]" 1
729 1 50 LEU MD1 1 57 GLN QB . . 2.910 2.157 1.915 2.368 . 0 0 "[ . 1 . 2]" 1
730 1 50 LEU MD1 1 57 GLN HB3 . . 3.530 2.718 2.384 3.020 . 0 0 "[ . 1 . 2]" 1
731 1 50 LEU MD1 1 57 GLN HE21 . . 4.250 3.600 3.255 4.209 . 0 0 "[ . 1 . 2]" 1
732 1 50 LEU MD1 1 57 GLN HE22 . . 4.670 4.611 4.365 4.686 0.016 20 0 "[ . 1 . 2]" 1
733 1 50 LEU MD1 1 57 GLN QG . . 4.210 3.846 3.442 4.062 . 0 0 "[ . 1 . 2]" 1
734 1 50 LEU MD1 1 66 TRP HB2 . . 4.230 4.281 4.269 4.305 0.075 6 0 "[ . 1 . 2]" 1
735 1 50 LEU MD1 1 66 TRP HB3 . . 3.690 3.503 3.461 3.614 . 0 0 "[ . 1 . 2]" 1
736 1 50 LEU MD1 1 66 TRP HD1 . . 3.130 2.370 2.165 2.873 . 0 0 "[ . 1 . 2]" 1
737 1 50 LEU MD2 1 51 HIS QB . . 5.500 4.142 3.703 4.861 . 0 0 "[ . 1 . 2]" 1
738 1 50 LEU MD2 1 66 TRP HB2 . . 5.500 4.786 4.570 5.074 . 0 0 "[ . 1 . 2]" 1
739 1 50 LEU MD2 1 66 TRP HB3 . . 4.510 4.123 3.767 4.440 . 0 0 "[ . 1 . 2]" 1
740 1 50 LEU MD2 1 66 TRP HD1 . . 3.060 1.981 1.801 2.289 . 0 0 "[ . 1 . 2]" 1
741 1 50 LEU MD2 1 66 TRP HE1 . . 4.390 1.970 1.907 2.524 . 0 0 "[ . 1 . 2]" 1
742 1 50 LEU MD2 1 68 PHE QE . . 4.240 2.319 2.010 3.092 . 0 0 "[ . 1 . 2]" 1
743 1 50 LEU MD2 1 68 PHE HZ . . 3.640 3.318 3.050 3.648 0.008 13 0 "[ . 1 . 2]" 1
744 1 50 LEU HG 1 51 HIS H . . 4.920 3.561 3.499 3.609 . 0 0 "[ . 1 . 2]" 1
745 1 50 LEU HG 1 52 ALA H . . 5.500 4.821 4.749 4.904 . 0 0 "[ . 1 . 2]" 1
746 1 51 HIS H 1 51 HIS QB . . 2.580 2.289 2.178 2.320 . 0 0 "[ . 1 . 2]" 1
747 1 51 HIS H 1 51 HIS HD2 . . 5.360 5.153 3.379 5.340 . 0 0 "[ . 1 . 2]" 1
748 1 51 HIS H 1 52 ALA H . . 3.150 2.425 2.379 2.463 . 0 0 "[ . 1 . 2]" 1
749 1 51 HIS H 1 53 GLN H . . 4.870 4.499 3.962 4.883 0.013 7 0 "[ . 1 . 2]" 1
750 1 51 HIS HA 1 51 HIS HD2 . . 4.870 4.621 3.824 4.867 . 0 0 "[ . 1 . 2]" 1
751 1 51 HIS HA 1 51 HIS HE1 . . 4.860 4.720 4.586 4.906 0.046 18 0 "[ . 1 . 2]" 1
752 1 51 HIS HA 1 53 GLN H . . 5.500 4.821 3.886 5.511 0.011 8 0 "[ . 1 . 2]" 1
753 1 51 HIS QB 1 51 HIS HD2 . . 3.300 2.688 2.633 2.758 . 0 0 "[ . 1 . 2]" 1
754 1 51 HIS QB 1 52 ALA H . . 3.650 3.229 3.162 3.337 . 0 0 "[ . 1 . 2]" 1
755 1 52 ALA H 1 52 ALA MB . . 2.780 2.277 2.050 2.500 . 0 0 "[ . 1 . 2]" 1
756 1 52 ALA H 1 53 GLN QB . . 5.500 4.660 3.864 5.501 0.001 5 0 "[ . 1 . 2]" 1
757 1 52 ALA MB 1 53 GLN H . . 3.470 2.386 2.069 3.160 . 0 0 "[ . 1 . 2]" 1
758 1 52 ALA MB 1 53 GLN QE . . 3.930 2.614 1.869 3.763 . 0 0 "[ . 1 . 2]" 1
759 1 53 GLN H 1 53 GLN QB . . 3.370 2.604 2.183 3.253 . 0 0 "[ . 1 . 2]" 1
760 1 53 GLN H 1 53 GLN HE21 . . 5.500 3.575 1.896 4.810 . 0 0 "[ . 1 . 2]" 1
761 1 53 GLN H 1 53 GLN QE . . 4.840 3.364 1.879 4.253 . 0 0 "[ . 1 . 2]" 1
762 1 53 GLN H 1 53 GLN HE22 . . 5.500 4.405 2.921 5.502 0.002 19 0 "[ . 1 . 2]" 1
763 1 53 GLN H 1 53 GLN QG . . 3.570 2.813 1.933 3.588 0.018 16 0 "[ . 1 . 2]" 1
764 1 53 GLN HA 1 53 GLN HE21 . . 5.500 3.716 1.957 4.901 . 0 0 "[ . 1 . 2]" 1
765 1 53 GLN HA 1 53 GLN HE22 . . 5.500 4.497 2.909 5.501 0.001 17 0 "[ . 1 . 2]" 1
766 1 53 GLN HA 1 53 GLN QG . . 3.520 2.814 2.169 3.413 . 0 0 "[ . 1 . 2]" 1
767 1 53 GLN HA 1 54 GLN H . . 3.510 2.317 2.143 2.568 . 0 0 "[ . 1 . 2]" 1
768 1 53 GLN HA 1 54 GLN QE . . 5.340 3.353 2.230 5.341 0.001 18 0 "[ . 1 . 2]" 1
769 1 53 GLN QB 1 54 GLN H . . 4.670 2.756 2.063 3.638 . 0 0 "[ . 1 . 2]" 1
770 1 53 GLN QB 1 54 GLN QE . . 4.340 4.092 2.824 4.343 0.003 5 0 "[ . 1 . 2]" 1
771 1 53 GLN QB 1 55 VAL H . . 4.590 2.683 2.084 3.729 . 0 0 "[ . 1 . 2]" 1
772 1 53 GLN HG2 1 54 GLN H . . 5.500 4.715 3.576 5.402 . 0 0 "[ . 1 . 2]" 1
773 1 53 GLN HG2 1 55 VAL H . . 5.500 4.981 3.892 5.505 0.005 14 0 "[ . 1 . 2]" 1
774 1 53 GLN HG3 1 54 GLN H . . 5.500 4.510 3.607 5.508 0.008 8 0 "[ . 1 . 2]" 1
775 1 53 GLN HG3 1 55 VAL H . . 5.500 4.704 3.425 5.366 . 0 0 "[ . 1 . 2]" 1
776 1 54 GLN H 1 54 GLN QB . . 3.630 2.701 2.218 3.091 . 0 0 "[ . 1 . 2]" 1
777 1 54 GLN H 1 54 GLN HE21 . . 5.500 2.597 1.899 3.885 . 0 0 "[ . 1 . 2]" 1
778 1 54 GLN H 1 54 GLN QE . . 4.810 2.516 1.854 3.523 . 0 0 "[ . 1 . 2]" 1
779 1 54 GLN H 1 54 GLN HE22 . . 5.500 3.686 2.584 4.896 . 0 0 "[ . 1 . 2]" 1
780 1 54 GLN H 1 54 GLN QG . . 4.290 2.626 1.933 3.573 . 0 0 "[ . 1 . 2]" 1
781 1 54 GLN HA 1 54 GLN QE . . 4.210 3.610 2.159 4.210 0.000 14 0 "[ . 1 . 2]" 1
782 1 54 GLN HA 1 54 GLN QG . . 3.430 3.031 2.317 3.457 0.027 18 0 "[ . 1 . 2]" 1
783 1 54 GLN QB 1 55 VAL H . . 4.170 3.511 2.602 4.018 . 0 0 "[ . 1 . 2]" 1
784 1 54 GLN HB2 1 54 GLN HE22 . . 5.500 4.394 3.230 5.268 . 0 0 "[ . 1 . 2]" 1
785 1 54 GLN HB2 1 55 VAL H . . 4.950 3.772 2.639 4.445 . 0 0 "[ . 1 . 2]" 1
786 1 54 GLN HB3 1 54 GLN HE22 . . 5.500 4.588 3.345 5.182 . 0 0 "[ . 1 . 2]" 1
787 1 54 GLN HB3 1 55 VAL H . . 4.950 4.271 3.573 4.654 . 0 0 "[ . 1 . 2]" 1
788 1 54 GLN QG 1 55 VAL H . . 5.270 3.854 2.328 4.915 . 0 0 "[ . 1 . 2]" 1
789 1 55 VAL H 1 55 VAL HB . . 3.560 3.265 2.557 3.578 0.018 4 0 "[ . 1 . 2]" 1
790 1 55 VAL H 1 55 VAL QG . . 3.310 1.944 1.823 2.794 . 0 0 "[ . 1 . 2]" 1
791 1 55 VAL HA 1 55 VAL QG . . 2.960 2.091 1.949 2.416 . 0 0 "[ . 1 . 2]" 1
792 1 55 VAL HB 1 56 GLN H . . 3.220 2.501 1.949 3.222 0.002 13 0 "[ . 1 . 2]" 1
793 1 55 VAL QG 1 56 GLN H . . 3.800 2.343 1.836 3.215 . 0 0 "[ . 1 . 2]" 1
794 1 56 GLN H 1 56 GLN QB . . 3.290 2.535 2.101 3.074 . 0 0 "[ . 1 . 2]" 1
795 1 56 GLN H 1 56 GLN HE21 . . 5.500 3.696 1.999 4.986 . 0 0 "[ . 1 . 2]" 1
796 1 56 GLN H 1 56 GLN HE22 . . 5.500 4.354 2.974 5.503 0.003 14 0 "[ . 1 . 2]" 1
797 1 56 GLN H 1 56 GLN QG . . 3.720 2.980 1.972 3.726 0.006 20 0 "[ . 1 . 2]" 1
798 1 56 GLN HA 1 56 GLN QE . . 4.550 3.539 2.301 4.551 0.001 5 0 "[ . 1 . 2]" 1
799 1 56 GLN HA 1 56 GLN QG . . 3.410 2.844 2.224 3.412 0.002 12 0 "[ . 1 . 2]" 1
800 1 56 GLN HA 1 57 GLN H . . 3.140 2.196 2.140 2.411 . 0 0 "[ . 1 . 2]" 1
801 1 56 GLN QB 1 57 GLN H . . 3.940 3.251 2.381 3.899 . 0 0 "[ . 1 . 2]" 1
802 1 57 GLN H 1 57 GLN HB2 . . 3.880 3.678 3.588 3.763 . 0 0 "[ . 1 . 2]" 1
803 1 57 GLN H 1 57 GLN QB . . 3.210 2.734 2.537 2.960 . 0 0 "[ . 1 . 2]" 1
804 1 57 GLN H 1 57 GLN HB3 . . 3.880 2.822 2.594 3.100 . 0 0 "[ . 1 . 2]" 1
805 1 57 GLN H 1 57 GLN HE21 . . 5.270 4.639 3.950 4.960 . 0 0 "[ . 1 . 2]" 1
806 1 57 GLN H 1 57 GLN HE22 . . 5.500 5.463 5.148 5.524 0.024 20 0 "[ . 1 . 2]" 1
807 1 57 GLN H 1 57 GLN HG2 . . 3.850 3.391 2.960 3.693 . 0 0 "[ . 1 . 2]" 1
808 1 57 GLN H 1 57 GLN QG . . 3.350 2.023 1.934 2.144 . 0 0 "[ . 1 . 2]" 1
809 1 57 GLN H 1 57 GLN HG3 . . 3.850 2.041 1.943 2.172 . 0 0 "[ . 1 . 2]" 1
810 1 57 GLN HA 1 57 GLN HE21 . . 4.530 4.053 3.541 4.437 . 0 0 "[ . 1 . 2]" 1
811 1 57 GLN HA 1 57 GLN HE22 . . 5.500 5.158 4.998 5.404 . 0 0 "[ . 1 . 2]" 1
812 1 57 GLN HA 1 57 GLN QG . . 3.530 3.446 3.358 3.498 . 0 0 "[ . 1 . 2]" 1
813 1 57 GLN HA 1 58 HIS H . . 3.450 3.428 3.296 3.489 0.039 16 0 "[ . 1 . 2]" 1
814 1 57 GLN QB 1 57 GLN HE22 . . 4.630 3.363 3.146 3.599 . 0 0 "[ . 1 . 2]" 1
815 1 57 GLN QB 1 58 HIS H . . 4.260 3.640 3.521 3.832 . 0 0 "[ . 1 . 2]" 1
816 1 57 GLN HE21 1 66 TRP H . . 5.500 3.278 2.348 4.253 . 0 0 "[ . 1 . 2]" 1
817 1 57 GLN HE21 1 66 TRP HB3 . . 4.170 2.673 2.209 3.260 . 0 0 "[ . 1 . 2]" 1
818 1 57 GLN HE21 1 66 TRP HD1 . . 5.500 4.031 3.397 5.004 . 0 0 "[ . 1 . 2]" 1
819 1 57 GLN HE22 1 65 GLU HA . . 5.500 2.707 2.175 3.320 . 0 0 "[ . 1 . 2]" 1
820 1 57 GLN HE22 1 65 GLU QB . . 5.340 3.256 2.436 4.290 . 0 0 "[ . 1 . 2]" 1
821 1 57 GLN HE22 1 66 TRP H . . 5.500 2.229 1.898 2.832 . 0 0 "[ . 1 . 2]" 1
822 1 57 GLN HE22 1 66 TRP HA . . 4.720 4.294 3.630 4.732 0.012 6 0 "[ . 1 . 2]" 1
823 1 57 GLN HE22 1 66 TRP HB3 . . 5.260 2.617 2.161 2.997 . 0 0 "[ . 1 . 2]" 1
824 1 58 HIS H 1 58 HIS QB . . 3.630 2.573 2.376 2.674 . 0 0 "[ . 1 . 2]" 1
825 1 58 HIS H 1 58 HIS HD2 . . 5.000 4.606 4.480 4.952 . 0 0 "[ . 1 . 2]" 1
826 1 58 HIS H 1 58 HIS HE1 . . 5.250 4.127 3.915 4.652 . 0 0 "[ . 1 . 2]" 1
827 1 58 HIS HA 1 58 HIS HD2 . . 4.270 3.520 2.987 3.770 . 0 0 "[ . 1 . 2]" 1
828 1 58 HIS HA 1 58 HIS HE1 . . 5.500 5.453 5.173 5.523 0.023 10 0 "[ . 1 . 2]" 1
829 1 58 HIS HA 1 59 CYS H . . 2.890 2.230 2.148 2.585 . 0 0 "[ . 1 . 2]" 1
830 1 58 HIS HA 1 65 GLU H . . 5.420 4.999 4.406 5.328 . 0 0 "[ . 1 . 2]" 1
831 1 58 HIS HA 1 65 GLU HA . . 3.470 2.724 2.312 3.055 . 0 0 "[ . 1 . 2]" 1
832 1 58 HIS HA 1 65 GLU QB . . 5.200 4.626 4.091 5.149 . 0 0 "[ . 1 . 2]" 1
833 1 58 HIS HA 1 66 TRP H . . 3.150 2.328 2.025 2.537 . 0 0 "[ . 1 . 2]" 1
834 1 58 HIS HA 1 66 TRP HB2 . . 3.920 3.844 3.466 3.942 0.022 5 0 "[ . 1 . 2]" 1
835 1 58 HIS HA 1 66 TRP HB3 . . 4.630 3.862 3.444 4.074 . 0 0 "[ . 1 . 2]" 1
836 1 58 HIS QB 1 59 CYS H . . 3.310 2.920 2.039 3.211 . 0 0 "[ . 1 . 2]" 1
837 1 58 HIS QB 1 63 ARG HA . . 3.580 3.158 2.560 3.585 0.005 7 0 "[ . 1 . 2]" 1
838 1 58 HIS QB 1 65 GLU HA . . 4.240 4.185 3.790 4.265 0.025 9 0 "[ . 1 . 2]" 1
839 1 58 HIS HD2 1 59 CYS H . . 5.060 4.666 3.707 5.059 . 0 0 "[ . 1 . 2]" 1
840 1 58 HIS HD2 1 65 GLU H . . 5.350 4.297 3.017 4.938 . 0 0 "[ . 1 . 2]" 1
841 1 59 CYS H 1 59 CYS QB . . 3.020 2.195 2.073 2.355 . 0 0 "[ . 1 . 2]" 1
842 1 59 CYS H 1 60 PRO HD2 . . 5.250 4.723 4.703 4.739 . 0 0 "[ . 1 . 2]" 1
843 1 59 CYS H 1 64 GLN H . . 5.080 4.498 3.384 5.081 0.001 2 0 "[ . 1 . 2]" 1
844 1 59 CYS H 1 66 TRP H . . 4.220 2.399 2.037 2.968 . 0 0 "[ . 1 . 2]" 1
845 1 59 CYS H 1 66 TRP HB2 . . 5.500 2.974 2.588 3.699 . 0 0 "[ . 1 . 2]" 1
846 1 59 CYS H 1 66 TRP HB3 . . 5.500 3.902 3.486 4.516 . 0 0 "[ . 1 . 2]" 1
847 1 59 CYS HA 1 59 CYS QB . . 2.550 2.488 2.184 2.540 . 0 0 "[ . 1 . 2]" 1
848 1 59 CYS HA 1 60 PRO HD2 . . 3.040 2.342 2.130 2.510 . 0 0 "[ . 1 . 2]" 1
849 1 59 CYS HA 1 60 PRO HD3 . . 2.770 2.284 2.253 2.346 . 0 0 "[ . 1 . 2]" 1
850 1 59 CYS QB 1 61 MET H . . 4.250 2.601 2.122 4.076 . 0 0 "[ . 1 . 2]" 1
851 1 60 PRO QB 1 61 MET H . . 4.120 3.299 2.849 3.661 . 0 0 "[ . 1 . 2]" 1
852 1 60 PRO HD2 1 66 TRP HE3 . . 5.500 4.401 3.909 4.594 . 0 0 "[ . 1 . 2]" 1
853 1 60 PRO HD3 1 61 MET H . . 4.290 3.891 3.836 3.995 . 0 0 "[ . 1 . 2]" 1
854 1 60 PRO HG3 1 61 MET H . . 4.570 4.036 3.562 4.511 . 0 0 "[ . 1 . 2]" 1
855 1 61 MET H 1 61 MET HB2 . . 3.940 2.965 2.364 3.685 . 0 0 "[ . 1 . 2]" 1
856 1 61 MET H 1 61 MET QB . . 3.290 2.778 2.300 3.300 0.010 15 0 "[ . 1 . 2]" 1
857 1 61 MET H 1 61 MET HB3 . . 3.940 3.537 2.911 3.849 . 0 0 "[ . 1 . 2]" 1
858 1 61 MET H 1 61 MET ME . . 4.830 4.380 3.840 4.835 0.005 6 0 "[ . 1 . 2]" 1
859 1 61 MET H 1 61 MET HG2 . . 4.700 3.125 2.109 4.612 . 0 0 "[ . 1 . 2]" 1
860 1 61 MET H 1 61 MET HG3 . . 4.700 2.890 1.942 4.450 . 0 0 "[ . 1 . 2]" 1
861 1 61 MET H 1 62 CYS H . . 3.010 2.444 2.085 3.059 0.049 6 0 "[ . 1 . 2]" 1
862 1 61 MET HA 1 61 MET ME . . 4.390 4.129 3.694 4.413 0.023 2 0 "[ . 1 . 2]" 1
863 1 61 MET HA 1 61 MET HG2 . . 4.170 2.988 2.349 3.581 . 0 0 "[ . 1 . 2]" 1
864 1 61 MET HA 1 61 MET QG . . 3.520 2.765 2.243 3.214 . 0 0 "[ . 1 . 2]" 1
865 1 61 MET HA 1 61 MET HG3 . . 4.170 3.433 2.424 3.890 . 0 0 "[ . 1 . 2]" 1
866 1 61 MET QB 1 61 MET ME . . 2.690 2.001 1.753 2.397 . 0 0 "[ . 1 . 2]" 1
867 1 61 MET QB 1 62 CYS H . . 3.220 2.314 1.910 2.777 . 0 0 "[ . 1 . 2]" 1
868 1 61 MET HB2 1 61 MET ME . . 3.250 2.528 1.875 3.252 0.002 5 0 "[ . 1 . 2]" 1
869 1 61 MET HB2 1 62 CYS H . . 3.870 2.529 1.962 3.221 . 0 0 "[ . 1 . 2]" 1
870 1 61 MET HB3 1 61 MET ME . . 3.250 2.336 1.882 3.252 0.002 15 0 "[ . 1 . 2]" 1
871 1 61 MET HB3 1 62 CYS H . . 3.870 3.335 1.951 3.899 0.029 15 0 "[ . 1 . 2]" 1
872 1 61 MET QG 1 62 CYS H . . 3.840 3.099 1.938 3.849 0.009 13 0 "[ . 1 . 2]" 1
873 1 62 CYS H 1 62 CYS QB . . 3.210 2.696 2.085 2.977 . 0 0 "[ . 1 . 2]" 1
874 1 62 CYS QB 1 63 ARG H . . 3.160 2.306 1.935 2.942 . 0 0 "[ . 1 . 2]" 1
875 1 62 CYS QB 1 64 GLN H . . 2.650 2.370 2.088 2.644 . 0 0 "[ . 1 . 2]" 1
876 1 62 CYS HB2 1 63 ARG H . . 3.990 2.627 1.947 3.484 . 0 0 "[ . 1 . 2]" 1
877 1 62 CYS HB3 1 63 ARG H . . 3.990 3.021 2.169 3.974 . 0 0 "[ . 1 . 2]" 1
878 1 63 ARG H 1 63 ARG QB . . 3.610 2.655 2.380 3.168 . 0 0 "[ . 1 . 2]" 1
879 1 63 ARG H 1 63 ARG QD . . 4.550 3.224 1.932 4.333 . 0 0 "[ . 1 . 2]" 1
880 1 63 ARG H 1 63 ARG QG . . 3.500 2.738 1.933 3.516 0.016 15 0 "[ . 1 . 2]" 1
881 1 63 ARG HA 1 63 ARG QD . . 4.470 3.285 1.973 4.465 . 0 0 "[ . 1 . 2]" 1
882 1 63 ARG HA 1 63 ARG QG . . 3.590 2.863 2.318 3.445 . 0 0 "[ . 1 . 2]" 1
883 1 63 ARG HA 1 64 GLN H . . 3.530 3.238 2.932 3.499 . 0 0 "[ . 1 . 2]" 1
884 1 63 ARG QB 1 63 ARG QD . . 3.370 2.259 2.057 2.653 . 0 0 "[ . 1 . 2]" 1
885 1 63 ARG QB 1 64 GLN QE . . 5.180 4.146 2.393 5.099 . 0 0 "[ . 1 . 2]" 1
886 1 63 ARG QD 1 64 GLN H . . 5.500 4.491 2.967 5.294 . 0 0 "[ . 1 . 2]" 1
887 1 64 GLN H 1 64 GLN HB2 . . 3.160 2.525 2.291 2.872 . 0 0 "[ . 1 . 2]" 1
888 1 64 GLN H 1 64 GLN HB3 . . 3.650 3.602 3.551 3.641 . 0 0 "[ . 1 . 2]" 1
889 1 64 GLN H 1 64 GLN QE . . 5.280 3.842 1.959 5.176 . 0 0 "[ . 1 . 2]" 1
890 1 64 GLN H 1 64 GLN HG2 . . 4.150 2.664 1.950 3.917 . 0 0 "[ . 1 . 2]" 1
891 1 64 GLN H 1 64 GLN QG . . 3.330 2.530 1.940 3.255 . 0 0 "[ . 1 . 2]" 1
892 1 64 GLN H 1 64 GLN HG3 . . 4.150 3.656 3.040 4.056 . 0 0 "[ . 1 . 2]" 1
893 1 64 GLN H 1 65 GLU H . . 5.410 4.567 4.443 4.635 . 0 0 "[ . 1 . 2]" 1
894 1 64 GLN HA 1 64 GLN HB3 . . 2.980 2.485 2.294 2.627 . 0 0 "[ . 1 . 2]" 1
895 1 64 GLN HA 1 64 GLN HE21 . . 5.230 3.447 2.047 4.861 . 0 0 "[ . 1 . 2]" 1
896 1 64 GLN HA 1 64 GLN QE . . 4.580 3.209 2.009 4.341 . 0 0 "[ . 1 . 2]" 1
897 1 64 GLN HA 1 64 GLN HE22 . . 5.230 3.981 2.915 5.170 . 0 0 "[ . 1 . 2]" 1
898 1 64 GLN HA 1 64 GLN QG . . 3.670 2.784 2.339 3.311 . 0 0 "[ . 1 . 2]" 1
899 1 64 GLN HA 1 65 GLU H . . 2.740 2.309 2.191 2.645 . 0 0 "[ . 1 . 2]" 1
900 1 64 GLN HB2 1 64 GLN HE22 . . 5.500 5.081 3.591 5.350 . 0 0 "[ . 1 . 2]" 1
901 1 64 GLN HB2 1 65 GLU H . . 4.010 3.825 3.406 4.015 0.005 7 0 "[ . 1 . 2]" 1
902 1 64 GLN HB3 1 64 GLN HE22 . . 5.500 4.452 3.691 5.282 . 0 0 "[ . 1 . 2]" 1
903 1 64 GLN HB3 1 65 GLU H . . 3.080 2.737 1.943 3.080 . 0 0 "[ . 1 . 2]" 1
904 1 64 GLN QG 1 65 GLU H . . 4.760 4.314 3.727 4.691 . 0 0 "[ . 1 . 2]" 1
905 1 64 GLN HG2 1 65 GLU H . . 5.500 4.818 4.175 5.288 . 0 0 "[ . 1 . 2]" 1
906 1 64 GLN HG3 1 65 GLU H . . 5.500 4.916 3.891 5.392 . 0 0 "[ . 1 . 2]" 1
907 1 65 GLU H 1 65 GLU HB2 . . 3.620 2.742 2.071 3.573 . 0 0 "[ . 1 . 2]" 1
908 1 65 GLU H 1 65 GLU QB . . 2.820 2.187 2.051 2.339 . 0 0 "[ . 1 . 2]" 1
909 1 65 GLU H 1 65 GLU HB3 . . 3.620 2.794 2.118 3.541 . 0 0 "[ . 1 . 2]" 1
910 1 65 GLU H 1 65 GLU QG . . 4.180 3.241 2.442 3.833 . 0 0 "[ . 1 . 2]" 1
911 1 65 GLU HA 1 66 TRP H . . 2.830 2.159 2.138 2.247 . 0 0 "[ . 1 . 2]" 1
912 1 65 GLU QB 1 66 TRP H . . 3.830 3.681 3.455 3.857 0.027 10 0 "[ . 1 . 2]" 1
913 1 65 GLU HB2 1 66 TRP H . . 4.670 4.204 3.598 4.656 . 0 0 "[ . 1 . 2]" 1
914 1 65 GLU HB3 1 66 TRP H . . 4.670 4.231 3.748 4.584 . 0 0 "[ . 1 . 2]" 1
915 1 65 GLU QG 1 66 TRP H . . 4.120 3.748 3.115 4.136 0.016 13 0 "[ . 1 . 2]" 1
916 1 66 TRP H 1 66 TRP HB2 . . 3.310 2.686 2.668 2.710 . 0 0 "[ . 1 . 2]" 1
917 1 66 TRP H 1 66 TRP HB3 . . 3.410 2.442 2.386 2.468 . 0 0 "[ . 1 . 2]" 1
918 1 66 TRP H 1 66 TRP HD1 . . 5.500 5.025 4.973 5.048 . 0 0 "[ . 1 . 2]" 1
919 1 66 TRP H 1 66 TRP HE3 . . 4.770 4.611 4.590 4.648 . 0 0 "[ . 1 . 2]" 1
920 1 66 TRP HA 1 66 TRP HD1 . . 4.910 4.864 4.855 4.870 . 0 0 "[ . 1 . 2]" 1
921 1 66 TRP HA 1 66 TRP HE3 . . 2.640 1.987 1.974 2.044 . 0 0 "[ . 1 . 2]" 1
922 1 66 TRP HA 1 67 LYS H . . 2.720 2.140 2.139 2.144 . 0 0 "[ . 1 . 2]" 1
923 1 66 TRP HB2 1 66 TRP HD1 . . 3.640 3.417 3.407 3.444 . 0 0 "[ . 1 . 2]" 1
924 1 66 TRP HB2 1 66 TRP HE3 . . 3.580 3.254 3.216 3.269 . 0 0 "[ . 1 . 2]" 1
925 1 66 TRP HB2 1 67 LYS H . . 4.770 4.152 4.093 4.178 . 0 0 "[ . 1 . 2]" 1
926 1 66 TRP HB3 1 66 TRP HD1 . . 3.380 2.583 2.574 2.587 . 0 0 "[ . 1 . 2]" 1
927 1 66 TRP HB3 1 67 LYS H . . 4.480 4.406 4.378 4.425 . 0 0 "[ . 1 . 2]" 1
928 1 66 TRP HE1 1 68 PHE H . . 5.500 5.187 5.020 5.298 . 0 0 "[ . 1 . 2]" 1
929 1 66 TRP HE1 1 68 PHE QD . . 4.450 3.330 3.039 3.969 . 0 0 "[ . 1 . 2]" 1
930 1 66 TRP HE1 1 68 PHE QE . . 4.250 2.381 2.138 3.316 . 0 0 "[ . 1 . 2]" 1
931 1 66 TRP HE1 1 68 PHE HZ . . 4.080 3.127 2.770 3.479 . 0 0 "[ . 1 . 2]" 1
932 1 66 TRP HH2 1 69 LYS H . . 5.500 3.788 3.561 3.985 . 0 0 "[ . 1 . 2]" 1
933 1 66 TRP HZ2 1 68 PHE H . . 5.500 4.924 4.815 5.016 . 0 0 "[ . 1 . 2]" 1
934 1 66 TRP HZ2 1 68 PHE QD . . 3.190 2.969 2.576 3.194 0.004 8 0 "[ . 1 . 2]" 1
935 1 66 TRP HZ2 1 68 PHE QE . . 3.360 2.904 2.503 3.202 . 0 0 "[ . 1 . 2]" 1
936 1 66 TRP HZ3 1 68 PHE H . . 5.500 5.523 5.509 5.533 0.033 12 0 "[ . 1 . 2]" 1
937 1 67 LYS H 1 67 LYS HB2 . . 4.030 2.804 2.415 3.043 . 0 0 "[ . 1 . 2]" 1
938 1 67 LYS H 1 67 LYS QB . . 3.390 2.495 2.381 2.554 . 0 0 "[ . 1 . 2]" 1
939 1 67 LYS H 1 67 LYS HB3 . . 4.030 2.943 2.591 3.721 . 0 0 "[ . 1 . 2]" 1
940 1 67 LYS H 1 67 LYS QD . . 4.790 4.594 4.326 4.786 . 0 0 "[ . 1 . 2]" 1
941 1 67 LYS H 1 67 LYS QE . . 5.500 4.832 4.204 5.490 . 0 0 "[ . 1 . 2]" 1
942 1 67 LYS H 1 67 LYS QG . . 4.310 3.990 3.082 4.210 . 0 0 "[ . 1 . 2]" 1
943 1 67 LYS HA 1 67 LYS QD . . 3.770 2.702 1.988 3.756 . 0 0 "[ . 1 . 2]" 1
944 1 67 LYS HA 1 67 LYS QE . . 4.030 3.236 1.989 4.033 0.003 2 0 "[ . 1 . 2]" 1
945 1 67 LYS HA 1 67 LYS QG . . 3.520 2.518 2.068 2.971 . 0 0 "[ . 1 . 2]" 1
946 1 67 LYS HA 1 68 PHE H . . 2.870 2.147 2.141 2.164 . 0 0 "[ . 1 . 2]" 1
947 1 67 LYS QB 1 67 LYS QE . . 3.050 2.482 2.033 3.050 0.000 3 0 "[ . 1 . 2]" 1
948 1 67 LYS QB 1 68 PHE H . . 4.000 3.663 3.257 3.811 . 0 0 "[ . 1 . 2]" 1
949 1 67 LYS HB2 1 68 PHE H . . 4.570 4.365 4.247 4.493 . 0 0 "[ . 1 . 2]" 1
950 1 67 LYS HB3 1 68 PHE H . . 4.570 3.963 3.371 4.233 . 0 0 "[ . 1 . 2]" 1
951 1 67 LYS QG 1 68 PHE H . . 4.460 3.165 2.688 4.415 . 0 0 "[ . 1 . 2]" 1
952 1 67 LYS QG 1 69 LYS H . . 5.160 3.856 2.846 5.184 0.024 2 0 "[ . 1 . 2]" 1
953 1 68 PHE H 1 68 PHE QB . . 2.860 2.112 2.089 2.136 . 0 0 "[ . 1 . 2]" 1
954 1 68 PHE H 1 68 PHE QD . . 3.790 3.184 3.064 3.504 . 0 0 "[ . 1 . 2]" 1
955 1 68 PHE H 1 68 PHE QE . . 5.500 5.226 5.104 5.345 . 0 0 "[ . 1 . 2]" 1
956 1 68 PHE HA 1 68 PHE QD . . 3.270 2.688 2.227 2.824 . 0 0 "[ . 1 . 2]" 1
957 1 68 PHE HA 1 68 PHE QE . . 4.480 4.354 4.184 4.391 . 0 0 "[ . 1 . 2]" 1
958 1 68 PHE HA 1 69 LYS H . . 2.760 2.556 2.544 2.602 . 0 0 "[ . 1 . 2]" 1
959 1 68 PHE HA 1 69 LYS HB2 . . 4.940 4.870 4.632 4.957 0.017 11 0 "[ . 1 . 2]" 1
960 1 68 PHE HA 1 69 LYS HB3 . . 5.330 4.848 4.674 5.080 . 0 0 "[ . 1 . 2]" 1
961 1 68 PHE QB 1 69 LYS H . . 4.060 3.924 3.917 3.929 . 0 0 "[ . 1 . 2]" 1
962 1 68 PHE HB2 1 69 LYS H . . 4.810 4.527 4.487 4.546 . 0 0 "[ . 1 . 2]" 1
963 1 68 PHE HB3 1 69 LYS H . . 4.810 4.302 4.297 4.318 . 0 0 "[ . 1 . 2]" 1
964 1 68 PHE QD 1 69 LYS H . . 4.720 4.696 4.368 4.748 0.028 11 0 "[ . 1 . 2]" 1
965 1 69 LYS H 1 69 LYS HB2 . . 3.180 2.339 2.139 2.417 . 0 0 "[ . 1 . 2]" 1
966 1 69 LYS H 1 69 LYS HB3 . . 3.180 2.745 2.633 3.059 . 0 0 "[ . 1 . 2]" 1
967 1 69 LYS H 1 69 LYS QD . . 5.020 4.150 3.751 4.611 . 0 0 "[ . 1 . 2]" 1
968 1 69 LYS H 1 69 LYS QE . . 5.500 4.865 3.963 5.493 . 0 0 "[ . 1 . 2]" 1
969 1 69 LYS H 1 69 LYS HG2 . . 5.500 4.554 4.002 4.629 . 0 0 "[ . 1 . 2]" 1
970 1 69 LYS H 1 69 LYS QG . . 4.790 4.000 3.692 4.079 . 0 0 "[ . 1 . 2]" 1
971 1 69 LYS H 1 69 LYS HG3 . . 5.500 4.441 4.157 4.577 . 0 0 "[ . 1 . 2]" 1
972 1 69 LYS H 1 70 GLU H . . 4.670 4.636 4.576 4.650 . 0 0 "[ . 1 . 2]" 1
973 1 69 LYS HA 1 69 LYS QD . . 4.020 2.777 1.984 4.031 0.011 5 0 "[ . 1 . 2]" 1
974 1 69 LYS HA 1 69 LYS QE . . 4.380 3.399 1.960 4.388 0.008 16 0 "[ . 1 . 2]" 1
975 1 69 LYS HA 1 69 LYS HG2 . . 3.780 3.449 2.194 3.776 . 0 0 "[ . 1 . 2]" 1
976 1 69 LYS HA 1 69 LYS QG . . 3.150 2.608 2.173 2.919 . 0 0 "[ . 1 . 2]" 1
977 1 69 LYS HA 1 69 LYS HG3 . . 3.780 2.813 2.346 3.507 . 0 0 "[ . 1 . 2]" 1
978 1 69 LYS HA 1 70 GLU H . . 2.650 2.287 2.173 2.351 . 0 0 "[ . 1 . 2]" 1
979 1 69 LYS HB2 1 70 GLU H . . 4.720 4.051 3.923 4.373 . 0 0 "[ . 1 . 2]" 1
980 1 69 LYS HB3 1 69 LYS QE . . 4.310 3.675 1.957 4.296 . 0 0 "[ . 1 . 2]" 1
981 1 69 LYS HB3 1 70 GLU H . . 3.850 3.712 3.524 3.843 . 0 0 "[ . 1 . 2]" 1
982 1 69 LYS QD 1 70 GLU H . . 4.550 3.203 1.942 4.548 . 0 0 "[ . 1 . 2]" 1
983 1 69 LYS QE 1 69 LYS HG2 . . 3.640 2.784 2.005 3.465 . 0 0 "[ . 1 . 2]" 1
984 1 69 LYS QE 1 69 LYS QG . . 2.960 2.184 1.978 2.711 . 0 0 "[ . 1 . 2]" 1
985 1 69 LYS QE 1 69 LYS HG3 . . 3.640 2.560 2.041 3.505 . 0 0 "[ . 1 . 2]" 1
986 1 69 LYS QG 1 70 GLU H . . 3.130 2.167 1.910 3.129 . 0 0 "[ . 1 . 2]" 1
987 1 70 GLU H 1 70 GLU HB2 . . 3.890 3.126 2.227 3.779 . 0 0 "[ . 1 . 2]" 1
988 1 70 GLU H 1 70 GLU QB . . 3.170 2.645 2.204 3.207 0.037 6 0 "[ . 1 . 2]" 1
989 1 70 GLU H 1 70 GLU HB3 . . 3.890 3.283 2.445 3.952 0.062 17 0 "[ . 1 . 2]" 1
990 1 70 GLU H 1 70 GLU QG . . 3.370 2.389 1.979 3.096 . 0 0 "[ . 1 . 2]" 1
991 1 70 GLU HA 1 70 GLU QG . . 3.590 2.875 2.194 3.487 . 0 0 "[ . 1 . 2]" 1
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