NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405949 |
1xc5   |
6286 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xc5
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 637
_Distance_constraint_stats_list.Viol_count 3128
_Distance_constraint_stats_list.Viol_total 4537.152
_Distance_constraint_stats_list.Viol_max 0.266
_Distance_constraint_stats_list.Viol_rms 0.0271
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0518
_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 6 LEU 0.000 0.000 25 0 "[ . 1 . 2 . ]"
1 7 MET 0.000 0.000 25 0 "[ . 1 . 2 . ]"
1 8 ALA 0.003 0.002 17 0 "[ . 1 . 2 . ]"
1 9 ASP 0.003 0.002 17 0 "[ . 1 . 2 . ]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 11 MET 6.776 0.127 18 0 "[ . 1 . 2 . ]"
1 12 LYS 9.508 0.213 24 0 "[ . 1 . 2 . ]"
1 13 VAL 10.085 0.202 4 0 "[ . 1 . 2 . ]"
1 14 TYR 15.442 0.202 4 0 "[ . 1 . 2 . ]"
1 15 LYS 2.385 0.125 23 0 "[ . 1 . 2 . ]"
1 16 ASP 1.404 0.088 25 0 "[ . 1 . 2 . ]"
1 17 ARG 1.937 0.079 17 0 "[ . 1 . 2 . ]"
1 18 GLN 4.350 0.201 25 0 "[ . 1 . 2 . ]"
1 19 VAL 7.527 0.220 25 0 "[ . 1 . 2 . ]"
1 20 MET 3.269 0.220 25 0 "[ . 1 . 2 . ]"
1 21 ASN 2.913 0.081 26 0 "[ . 1 . 2 . ]"
1 22 MET 1.511 0.096 5 0 "[ . 1 . 2 . ]"
1 23 TRP 20.533 0.236 27 0 "[ . 1 . 2 . ]"
1 24 SER 0.606 0.055 26 0 "[ . 1 . 2 . ]"
1 25 GLU 0.006 0.006 2 0 "[ . 1 . 2 . ]"
1 26 GLN 1.348 0.063 1 0 "[ . 1 . 2 . ]"
1 27 GLU 10.666 0.236 27 0 "[ . 1 . 2 . ]"
1 28 LYS 5.580 0.168 27 0 "[ . 1 . 2 . ]"
1 29 GLU 6.564 0.152 2 0 "[ . 1 . 2 . ]"
1 30 THR 6.395 0.161 26 0 "[ . 1 . 2 . ]"
1 31 PHE 27.665 0.266 3 0 "[ . 1 . 2 . ]"
1 32 ARG 5.176 0.186 2 0 "[ . 1 . 2 . ]"
1 33 GLU 2.865 0.086 28 0 "[ . 1 . 2 . ]"
1 34 LYS 3.471 0.093 23 0 "[ . 1 . 2 . ]"
1 35 PHE 9.184 0.131 21 0 "[ . 1 . 2 . ]"
1 36 MET 3.291 0.127 21 0 "[ . 1 . 2 . ]"
1 37 GLN 4.581 0.176 21 0 "[ . 1 . 2 . ]"
1 38 HIS 11.686 0.176 21 0 "[ . 1 . 2 . ]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 41 ASN 2.497 0.142 23 0 "[ . 1 . 2 . ]"
1 42 PHE 5.141 0.095 22 0 "[ . 1 . 2 . ]"
1 43 GLY 1.416 0.089 23 0 "[ . 1 . 2 . ]"
1 44 LEU 6.109 0.117 3 0 "[ . 1 . 2 . ]"
1 45 ILE 18.998 0.137 27 0 "[ . 1 . 2 . ]"
1 46 ALA 2.136 0.081 17 0 "[ . 1 . 2 . ]"
1 47 SER 2.741 0.135 22 0 "[ . 1 . 2 . ]"
1 48 PHE 17.478 0.213 24 0 "[ . 1 . 2 . ]"
1 49 LEU 6.350 0.187 15 0 "[ . 1 . 2 . ]"
1 50 GLU 2.421 0.116 20 0 "[ . 1 . 2 . ]"
1 51 ARG 0.834 0.082 1 0 "[ . 1 . 2 . ]"
1 52 LYS 3.308 0.116 20 0 "[ . 1 . 2 . ]"
1 53 THR 0.546 0.031 1 0 "[ . 1 . 2 . ]"
1 54 VAL 1.976 0.073 18 0 "[ . 1 . 2 . ]"
1 55 ALA 0.367 0.026 20 0 "[ . 1 . 2 . ]"
1 56 GLU 0.059 0.013 16 0 "[ . 1 . 2 . ]"
1 57 CYS 3.941 0.095 22 0 "[ . 1 . 2 . ]"
1 58 VAL 1.485 0.080 23 0 "[ . 1 . 2 . ]"
1 59 LEU 2.213 0.091 1 0 "[ . 1 . 2 . ]"
1 60 TYR 29.706 0.266 3 0 "[ . 1 . 2 . ]"
1 61 TYR 1.252 0.091 1 0 "[ . 1 . 2 . ]"
1 62 TYR 4.592 0.131 8 0 "[ . 1 . 2 . ]"
1 63 LEU 3.882 0.131 8 0 "[ . 1 . 2 . ]"
1 64 THR 4.936 0.149 18 0 "[ . 1 . 2 . ]"
1 65 LYS 3.229 0.120 28 0 "[ . 1 . 2 . ]"
1 66 LYS 0.030 0.016 21 0 "[ . 1 . 2 . ]"
1 67 ASN 0.135 0.062 28 0 "[ . 1 . 2 . ]"
1 68 GLU 0.855 0.120 28 0 "[ . 1 . 2 . ]"
1 69 ASN 0.164 0.161 21 0 "[ . 1 . 2 . ]"
1 70 TYR 5.531 0.161 21 0 "[ . 1 . 2 . ]"
1 71 LYS 1.496 0.140 13 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 6 LEU H 1 6 LEU HG 5.000 . 5.000 3.626 2.004 4.801 . 0 0 "[ . 1 . 2 . ]" 1
2 1 6 LEU H 1 7 MET H 3.500 . 3.500 2.603 1.991 3.500 0.000 25 0 "[ . 1 . 2 . ]" 1
3 1 6 LEU QD 1 7 MET H 5.000 . 5.000 3.761 1.963 4.527 . 0 0 "[ . 1 . 2 . ]" 1
4 1 6 LEU HG 1 7 MET H 5.000 . 5.000 4.297 2.019 4.994 . 0 0 "[ . 1 . 2 . ]" 1
5 1 7 MET H 1 7 MET QG 5.000 . 5.000 3.239 2.055 4.273 . 0 0 "[ . 1 . 2 . ]" 1
6 1 8 ALA HA 1 9 ASP H 2.800 . 2.800 2.433 2.144 2.802 0.002 17 0 "[ . 1 . 2 . ]" 1
7 1 8 ALA MB 1 9 ASP H 5.000 . 5.000 2.901 1.968 3.712 . 0 0 "[ . 1 . 2 . ]" 1
8 1 10 PRO HA 1 11 MET H 3.500 . 3.500 2.248 2.142 2.685 . 0 0 "[ . 1 . 2 . ]" 1
9 1 11 MET H 1 11 MET QG 5.000 . 5.000 3.946 3.278 4.250 . 0 0 "[ . 1 . 2 . ]" 1
10 1 11 MET H 1 12 LYS H 2.800 . 2.800 2.812 2.171 2.867 0.067 4 0 "[ . 1 . 2 . ]" 1
11 1 11 MET HA 1 12 LYS H 3.500 . 3.500 3.535 3.524 3.543 0.043 5 0 "[ . 1 . 2 . ]" 1
12 1 11 MET HA 1 14 TYR QB 5.000 . 5.000 5.107 5.079 5.127 0.127 18 0 "[ . 1 . 2 . ]" 1
13 1 11 MET HA 1 14 TYR QD 4.000 . 4.000 3.921 3.749 4.027 0.027 5 0 "[ . 1 . 2 . ]" 1
14 1 11 MET HA 1 14 TYR QE 5.000 . 5.000 3.567 3.013 4.025 . 0 0 "[ . 1 . 2 . ]" 1
15 1 11 MET QB 1 12 LYS H 3.500 . 3.500 1.904 1.825 2.238 . 0 0 "[ . 1 . 2 . ]" 1
16 1 11 MET QB 1 48 PHE QD 5.000 . 5.000 5.057 5.018 5.092 0.092 10 0 "[ . 1 . 2 . ]" 1
17 1 11 MET ME 1 14 TYR QD 5.000 . 5.000 4.689 3.544 5.005 0.005 10 0 "[ . 1 . 2 . ]" 1
18 1 11 MET ME 1 14 TYR QE 5.000 . 5.000 3.270 2.408 4.823 . 0 0 "[ . 1 . 2 . ]" 1
19 1 11 MET QG 1 14 TYR QD 5.000 . 5.000 4.187 3.676 5.005 0.005 14 0 "[ . 1 . 2 . ]" 1
20 1 12 LYS H 1 12 LYS QG 5.000 . 5.000 3.980 3.794 4.136 . 0 0 "[ . 1 . 2 . ]" 1
21 1 12 LYS HA 1 13 VAL H 2.800 . 2.800 2.144 2.066 2.178 . 0 0 "[ . 1 . 2 . ]" 1
22 1 12 LYS HA 1 14 TYR QD 4.000 . 4.000 3.220 2.936 3.289 . 0 0 "[ . 1 . 2 . ]" 1
23 1 12 LYS HA 1 14 TYR QE 3.500 . 3.500 1.719 1.598 3.346 . 0 0 "[ . 1 . 2 . ]" 1
24 1 12 LYS QB 1 13 VAL H 4.000 . 4.000 3.926 3.741 3.969 . 0 0 "[ . 1 . 2 . ]" 1
25 1 12 LYS QB 1 14 TYR QD 5.000 . 5.000 5.017 4.708 5.123 0.123 5 0 "[ . 1 . 2 . ]" 1
26 1 12 LYS QB 1 14 TYR QE 5.000 . 5.000 3.563 3.476 4.016 . 0 0 "[ . 1 . 2 . ]" 1
27 1 12 LYS QD 1 14 TYR QD 5.000 . 5.000 4.694 3.862 5.063 0.063 8 0 "[ . 1 . 2 . ]" 1
28 1 12 LYS QD 1 14 TYR QE 5.000 . 5.000 3.716 3.040 5.050 0.050 10 0 "[ . 1 . 2 . ]" 1
29 1 12 LYS QD 1 16 ASP H 5.000 . 5.000 4.717 3.304 5.074 0.074 26 0 "[ . 1 . 2 . ]" 1
30 1 12 LYS QD 1 48 PHE QD 5.000 . 5.000 4.281 2.737 5.078 0.078 11 0 "[ . 1 . 2 . ]" 1
31 1 12 LYS QD 1 48 PHE QE 3.500 . 3.500 3.099 1.817 3.656 0.156 26 0 "[ . 1 . 2 . ]" 1
32 1 12 LYS QG 1 13 VAL H 5.000 . 5.000 3.546 3.101 3.945 . 0 0 "[ . 1 . 2 . ]" 1
33 1 12 LYS QG 1 14 TYR QD 5.000 . 5.000 4.985 4.736 5.088 0.088 9 0 "[ . 1 . 2 . ]" 1
34 1 12 LYS QG 1 14 TYR QE 5.000 . 5.000 4.055 3.355 5.049 0.049 10 0 "[ . 1 . 2 . ]" 1
35 1 12 LYS QG 1 15 LYS H 5.000 . 5.000 5.067 5.014 5.125 0.125 23 0 "[ . 1 . 2 . ]" 1
36 1 12 LYS QG 1 48 PHE QD 3.500 . 3.500 3.175 2.609 3.713 0.213 24 0 "[ . 1 . 2 . ]" 1
37 1 12 LYS QG 1 48 PHE QE 2.800 . 2.800 2.038 1.670 2.847 0.047 2 0 "[ . 1 . 2 . ]" 1
38 1 13 VAL H 1 14 TYR H 3.500 . 3.500 2.060 1.694 2.259 . 0 0 "[ . 1 . 2 . ]" 1
39 1 13 VAL H 1 14 TYR QD 5.000 . 5.000 1.967 1.879 2.171 . 0 0 "[ . 1 . 2 . ]" 1
40 1 13 VAL H 1 14 TYR QE 5.000 . 5.000 2.489 2.402 3.381 . 0 0 "[ . 1 . 2 . ]" 1
41 1 13 VAL H 1 15 LYS H 5.000 . 5.000 2.663 2.498 2.895 . 0 0 "[ . 1 . 2 . ]" 1
42 1 13 VAL HA 1 14 TYR H 3.500 . 3.500 3.465 2.776 3.507 0.007 8 0 "[ . 1 . 2 . ]" 1
43 1 13 VAL HA 1 14 TYR QD 5.000 . 5.000 4.198 4.091 4.389 . 0 0 "[ . 1 . 2 . ]" 1
44 1 13 VAL HA 1 14 TYR QE 5.000 . 5.000 5.081 4.784 5.138 0.138 2 0 "[ . 1 . 2 . ]" 1
45 1 13 VAL HA 1 16 ASP H 4.000 . 4.000 2.987 2.740 3.741 . 0 0 "[ . 1 . 2 . ]" 1
46 1 13 VAL HA 1 16 ASP QB 4.000 . 4.000 2.404 1.775 4.024 0.024 10 0 "[ . 1 . 2 . ]" 1
47 1 13 VAL HB 1 14 TYR QD 5.000 . 5.000 4.425 3.973 4.876 . 0 0 "[ . 1 . 2 . ]" 1
48 1 13 VAL HB 1 14 TYR QE 5.000 . 5.000 5.114 4.132 5.202 0.202 4 0 "[ . 1 . 2 . ]" 1
49 1 13 VAL HB 1 48 PHE QD 5.000 . 5.000 4.081 3.895 4.579 . 0 0 "[ . 1 . 2 . ]" 1
50 1 13 VAL HB 1 48 PHE QE 5.000 . 5.000 5.072 5.027 5.139 0.139 10 0 "[ . 1 . 2 . ]" 1
51 1 13 VAL QG 1 14 TYR H 3.500 . 3.500 1.901 1.799 3.445 . 0 0 "[ . 1 . 2 . ]" 1
52 1 13 VAL QG 1 14 TYR QD 4.000 . 4.000 2.814 2.390 3.410 . 0 0 "[ . 1 . 2 . ]" 1
53 1 13 VAL QG 1 14 TYR QE 4.000 . 4.000 3.987 2.151 4.104 0.104 1 0 "[ . 1 . 2 . ]" 1
54 1 13 VAL QG 1 15 LYS H 5.000 . 5.000 3.887 3.800 4.675 . 0 0 "[ . 1 . 2 . ]" 1
55 1 13 VAL QG 1 16 ASP H 5.000 . 5.000 3.792 3.570 4.732 . 0 0 "[ . 1 . 2 . ]" 1
56 1 14 TYR H 1 14 TYR QD . . 3.500 1.681 1.304 2.266 . 0 0 "[ . 1 . 2 . ]" 1
57 1 14 TYR H 1 14 TYR QE 5.000 . 5.000 3.582 3.496 4.218 . 0 0 "[ . 1 . 2 . ]" 1
58 1 14 TYR H 1 15 LYS H 4.000 . 4.000 2.809 1.836 2.948 . 0 0 "[ . 1 . 2 . ]" 1
59 1 14 TYR HA 1 15 LYS H 3.500 . 3.500 3.494 3.455 3.533 0.033 8 0 "[ . 1 . 2 . ]" 1
60 1 14 TYR HA 1 17 ARG QB 4.000 . 4.000 3.793 2.949 4.078 0.078 11 0 "[ . 1 . 2 . ]" 1
61 1 14 TYR HA 1 18 GLN HE22 5.000 . 5.000 5.033 5.004 5.062 0.062 10 0 "[ . 1 . 2 . ]" 1
62 1 14 TYR QB 1 14 TYR QD 2.800 . 2.800 2.198 2.143 2.264 . 0 0 "[ . 1 . 2 . ]" 1
63 1 14 TYR QB 1 14 TYR QE 4.000 . 4.000 3.954 3.935 3.972 . 0 0 "[ . 1 . 2 . ]" 1
64 1 14 TYR QB 1 15 LYS H 5.000 . 5.000 3.417 2.502 3.521 . 0 0 "[ . 1 . 2 . ]" 1
65 1 14 TYR QB 1 16 ASP H 5.000 . 5.000 4.921 4.272 5.036 0.036 26 0 "[ . 1 . 2 . ]" 1
66 1 14 TYR QD 1 15 LYS H 4.000 . 4.000 2.508 1.593 3.154 . 0 0 "[ . 1 . 2 . ]" 1
67 1 14 TYR QD 1 15 LYS QG 5.000 . 5.000 3.095 2.134 4.613 . 0 0 "[ . 1 . 2 . ]" 1
68 1 14 TYR QD 1 16 ASP H 5.000 . 5.000 4.190 3.191 4.836 . 0 0 "[ . 1 . 2 . ]" 1
69 1 14 TYR QE 1 15 LYS H 5.000 . 5.000 3.876 3.643 5.018 0.018 10 0 "[ . 1 . 2 . ]" 1
70 1 14 TYR QE 1 15 LYS QG 5.000 . 5.000 3.612 2.432 5.029 0.029 10 0 "[ . 1 . 2 . ]" 1
71 1 15 LYS H 1 15 LYS QG 5.000 . 5.000 3.159 1.975 4.041 . 0 0 "[ . 1 . 2 . ]" 1
72 1 15 LYS H 1 16 ASP H 3.500 . 3.500 2.179 1.924 2.580 . 0 0 "[ . 1 . 2 . ]" 1
73 1 15 LYS HA 1 16 ASP H 3.500 . 3.500 3.373 3.137 3.487 . 0 0 "[ . 1 . 2 . ]" 1
74 1 15 LYS QB 1 16 ASP H 3.500 . 3.500 3.105 2.816 3.552 0.052 23 0 "[ . 1 . 2 . ]" 1
75 1 16 ASP H 1 17 ARG H 4.000 . 4.000 2.562 2.066 3.205 . 0 0 "[ . 1 . 2 . ]" 1
76 1 16 ASP HA 1 17 ARG H 3.500 . 3.500 3.256 2.423 3.477 . 0 0 "[ . 1 . 2 . ]" 1
77 1 16 ASP HA 1 19 VAL H 4.000 . 4.000 3.869 3.438 4.088 0.088 25 0 "[ . 1 . 2 . ]" 1
78 1 16 ASP HA 1 19 VAL HB 4.000 . 4.000 3.146 1.909 4.076 0.076 25 0 "[ . 1 . 2 . ]" 1
79 1 16 ASP QB 1 17 ARG H 4.000 . 4.000 3.350 2.932 4.027 0.027 2 0 "[ . 1 . 2 . ]" 1
80 1 16 ASP QB 1 19 VAL H 5.000 . 5.000 4.237 3.413 4.966 . 0 0 "[ . 1 . 2 . ]" 1
81 1 17 ARG H 1 17 ARG QD 5.000 . 5.000 4.337 3.827 4.678 . 0 0 "[ . 1 . 2 . ]" 1
82 1 17 ARG H 1 17 ARG QG 5.000 . 5.000 3.647 2.391 4.055 . 0 0 "[ . 1 . 2 . ]" 1
83 1 17 ARG H 1 18 GLN H 3.500 . 3.500 2.686 2.328 2.849 . 0 0 "[ . 1 . 2 . ]" 1
84 1 17 ARG H 1 19 VAL QG 5.000 . 5.000 4.205 3.870 4.772 . 0 0 "[ . 1 . 2 . ]" 1
85 1 17 ARG HA 1 18 GLN HE21 5.000 . 5.000 4.610 3.935 5.000 0.000 6 0 "[ . 1 . 2 . ]" 1
86 1 17 ARG HA 1 20 MET H 4.000 . 4.000 4.056 4.019 4.079 0.079 17 0 "[ . 1 . 2 . ]" 1
87 1 17 ARG QB 1 18 GLN H 5.000 . 5.000 2.987 2.678 3.629 . 0 0 "[ . 1 . 2 . ]" 1
88 1 17 ARG QB 1 18 GLN HE22 5.000 . 5.000 2.452 1.952 3.775 . 0 0 "[ . 1 . 2 . ]" 1
89 1 17 ARG QG 1 18 GLN H 5.000 . 5.000 4.187 2.271 4.716 . 0 0 "[ . 1 . 2 . ]" 1
90 1 17 ARG QG 1 18 GLN HE22 5.000 . 5.000 4.184 1.865 4.904 . 0 0 "[ . 1 . 2 . ]" 1
91 1 18 GLN H 1 18 GLN QG 5.000 . 5.000 2.365 1.980 3.084 . 0 0 "[ . 1 . 2 . ]" 1
92 1 18 GLN H 1 19 VAL H 3.500 . 3.500 2.701 2.413 2.830 . 0 0 "[ . 1 . 2 . ]" 1
93 1 18 GLN H 1 19 VAL QG 5.000 . 5.000 3.277 2.990 3.955 . 0 0 "[ . 1 . 2 . ]" 1
94 1 18 GLN HA 1 19 VAL H 2.800 . 2.800 2.865 2.829 3.001 0.201 25 0 "[ . 1 . 2 . ]" 1
95 1 18 GLN HA 1 21 ASN H 5.000 . 5.000 4.108 3.970 4.206 . 0 0 "[ . 1 . 2 . ]" 1
96 1 18 GLN HA 1 21 ASN QB 4.500 . 4.500 4.557 4.517 4.579 0.079 5 0 "[ . 1 . 2 . ]" 1
97 1 18 GLN QB 1 18 GLN HE22 5.000 . 5.000 4.247 3.811 4.376 . 0 0 "[ . 1 . 2 . ]" 1
98 1 19 VAL H 1 20 MET H 2.800 . 2.800 1.941 1.865 2.168 . 0 0 "[ . 1 . 2 . ]" 1
99 1 19 VAL HA 1 20 MET H 3.500 . 3.500 3.498 3.468 3.506 0.006 28 0 "[ . 1 . 2 . ]" 1
100 1 19 VAL HA 1 22 MET H 5.000 . 5.000 2.847 2.792 3.041 . 0 0 "[ . 1 . 2 . ]" 1
101 1 19 VAL HA 1 23 TRP H 3.500 3.500 53.500 4.015 3.757 4.167 . 0 0 "[ . 1 . 2 . ]" 1
102 1 19 VAL HA 1 23 TRP HD1 5.000 . 5.000 5.048 5.013 5.121 0.121 25 0 "[ . 1 . 2 . ]" 1
103 1 19 VAL HB 1 20 MET H 2.800 . 2.800 2.860 2.817 3.020 0.220 25 0 "[ . 1 . 2 . ]" 1
104 1 19 VAL QG 1 20 MET H 5.000 . 5.000 3.275 2.844 3.355 . 0 0 "[ . 1 . 2 . ]" 1
105 1 19 VAL QG 1 23 TRP HD1 3.500 . 3.500 3.519 3.458 3.553 0.053 3 0 "[ . 1 . 2 . ]" 1
106 1 19 VAL QG 1 23 TRP HE1 4.000 . 4.000 4.055 4.000 4.130 0.130 27 0 "[ . 1 . 2 . ]" 1
107 1 20 MET H 1 20 MET ME 5.000 . 5.000 4.393 3.584 4.897 . 0 0 "[ . 1 . 2 . ]" 1
108 1 20 MET H 1 20 MET QG 5.000 . 5.000 2.722 1.974 3.920 . 0 0 "[ . 1 . 2 . ]" 1
109 1 20 MET H 1 21 ASN H 4.500 . 4.500 2.801 2.767 2.891 . 0 0 "[ . 1 . 2 . ]" 1
110 1 20 MET HA 1 21 ASN H 4.000 . 4.000 3.466 3.457 3.496 . 0 0 "[ . 1 . 2 . ]" 1
111 1 21 ASN H 1 22 MET H 3.500 . 3.500 2.354 2.296 2.511 . 0 0 "[ . 1 . 2 . ]" 1
112 1 21 ASN HA 1 21 ASN HD22 4.500 . 4.500 4.060 3.325 4.497 . 0 0 "[ . 1 . 2 . ]" 1
113 1 21 ASN HA 1 22 MET H 3.500 . 3.500 2.999 2.919 3.049 . 0 0 "[ . 1 . 2 . ]" 1
114 1 21 ASN HA 1 23 TRP HD1 5.000 . 5.000 5.036 4.801 5.081 0.081 26 0 "[ . 1 . 2 . ]" 1
115 1 21 ASN QB 1 22 MET H 4.000 . 4.000 3.728 3.682 3.778 . 0 0 "[ . 1 . 2 . ]" 1
116 1 22 MET H 1 22 MET QG 5.000 . 5.000 3.783 2.639 3.993 . 0 0 "[ . 1 . 2 . ]" 1
117 1 22 MET H 1 23 TRP HD1 3.500 . 3.500 3.479 3.213 3.530 0.030 16 0 "[ . 1 . 2 . ]" 1
118 1 22 MET HA 1 23 TRP H 3.500 . 3.500 2.300 2.258 2.417 . 0 0 "[ . 1 . 2 . ]" 1
119 1 22 MET QB 1 23 TRP HD1 5.000 . 5.000 5.048 4.956 5.096 0.096 5 0 "[ . 1 . 2 . ]" 1
120 1 23 TRP H 1 23 TRP HD1 3.000 . 3.000 1.670 1.574 1.748 . 0 0 "[ . 1 . 2 . ]" 1
121 1 23 TRP H 1 24 SER H 5.000 . 5.000 4.198 4.124 4.466 . 0 0 "[ . 1 . 2 . ]" 1
122 1 23 TRP HA 1 23 TRP HD1 4.500 . 4.500 4.004 3.962 4.039 . 0 0 "[ . 1 . 2 . ]" 1
123 1 23 TRP HA 1 24 SER H 2.800 . 2.800 2.113 2.032 2.174 . 0 0 "[ . 1 . 2 . ]" 1
124 1 23 TRP HA 1 27 GLU H 5.000 . 5.000 5.118 5.031 5.236 0.236 27 0 "[ . 1 . 2 . ]" 1
125 1 23 TRP QB 1 23 TRP HD1 3.500 . 3.500 2.863 2.829 2.922 . 0 0 "[ . 1 . 2 . ]" 1
126 1 23 TRP QB 1 24 SER H 4.000 . 4.000 3.541 3.157 3.622 . 0 0 "[ . 1 . 2 . ]" 1
127 1 23 TRP QB 1 28 LYS H 4.000 . 4.000 3.348 3.158 3.623 . 0 0 "[ . 1 . 2 . ]" 1
128 1 23 TRP QB 1 31 PHE QD 5.000 . 5.000 3.296 3.080 3.719 . 0 0 "[ . 1 . 2 . ]" 1
129 1 23 TRP QB 1 60 TYR QD 3.500 . 3.500 2.755 2.586 3.217 . 0 0 "[ . 1 . 2 . ]" 1
130 1 23 TRP HD1 1 60 TYR QD 5.000 . 5.000 5.041 4.907 5.069 0.069 22 0 "[ . 1 . 2 . ]" 1
131 1 23 TRP HE1 1 60 TYR H 4.500 . 4.500 4.145 3.812 4.418 . 0 0 "[ . 1 . 2 . ]" 1
132 1 23 TRP HE1 1 60 TYR HA 5.000 . 5.000 3.268 2.835 3.568 . 0 0 "[ . 1 . 2 . ]" 1
133 1 23 TRP HE1 1 60 TYR QB 4.000 . 4.000 3.098 2.998 3.642 . 0 0 "[ . 1 . 2 . ]" 1
134 1 23 TRP HE1 1 60 TYR QD 5.000 . 5.000 5.156 5.056 5.210 0.210 1 0 "[ . 1 . 2 . ]" 1
135 1 23 TRP HH2 1 57 CYS H 5.000 . 5.000 4.381 4.115 4.852 . 0 0 "[ . 1 . 2 . ]" 1
136 1 23 TRP HH2 1 57 CYS HA 3.500 . 3.500 1.888 1.763 2.175 . 0 0 "[ . 1 . 2 . ]" 1
137 1 23 TRP HH2 1 57 CYS QB 4.500 . 4.500 3.545 3.116 4.043 . 0 0 "[ . 1 . 2 . ]" 1
138 1 23 TRP HH2 1 60 TYR QB 4.000 . 4.000 3.395 3.177 3.530 . 0 0 "[ . 1 . 2 . ]" 1
139 1 23 TRP HZ2 1 52 LYS QE 5.000 . 5.000 4.764 4.163 5.033 0.033 25 0 "[ . 1 . 2 . ]" 1
140 1 23 TRP HZ2 1 56 GLU QG 4.000 . 4.000 3.858 3.352 4.008 0.008 17 0 "[ . 1 . 2 . ]" 1
141 1 23 TRP HZ2 1 57 CYS HA 2.800 . 2.800 2.843 2.812 2.875 0.075 23 0 "[ . 1 . 2 . ]" 1
142 1 23 TRP HZ2 1 60 TYR H 3.500 . 3.500 3.550 3.133 3.626 0.126 7 0 "[ . 1 . 2 . ]" 1
143 1 23 TRP HZ2 1 60 TYR HA 4.500 . 4.500 4.553 3.970 4.643 0.143 8 0 "[ . 1 . 2 . ]" 1
144 1 23 TRP HZ2 1 60 TYR QB 3.500 . 3.500 2.834 2.757 3.091 . 0 0 "[ . 1 . 2 . ]" 1
145 1 24 SER H 1 25 GLU H 5.000 . 5.000 4.641 4.604 4.647 . 0 0 "[ . 1 . 2 . ]" 1
146 1 24 SER H 1 26 GLN H 5.000 . 5.000 4.954 4.774 5.007 0.007 1 0 "[ . 1 . 2 . ]" 1
147 1 24 SER H 1 27 GLU H 5.000 . 5.000 3.656 3.526 3.727 . 0 0 "[ . 1 . 2 . ]" 1
148 1 24 SER H 1 27 GLU HA 5.000 . 5.000 5.017 4.940 5.055 0.055 26 0 "[ . 1 . 2 . ]" 1
149 1 24 SER H 1 27 GLU QG 5.000 . 5.000 3.221 1.890 3.975 . 0 0 "[ . 1 . 2 . ]" 1
150 1 24 SER HA 1 25 GLU H 3.000 . 3.000 2.282 2.237 2.459 . 0 0 "[ . 1 . 2 . ]" 1
151 1 24 SER HA 1 26 GLN H 5.000 . 5.000 3.957 3.789 4.377 . 0 0 "[ . 1 . 2 . ]" 1
152 1 24 SER HA 1 27 GLU H 5.000 . 5.000 4.117 4.049 4.455 . 0 0 "[ . 1 . 2 . ]" 1
153 1 24 SER QB 1 25 GLU H 3.500 . 3.500 3.055 2.587 3.459 . 0 0 "[ . 1 . 2 . ]" 1
154 1 24 SER QB 1 26 GLN H 5.000 . 5.000 2.583 2.247 3.109 . 0 0 "[ . 1 . 2 . ]" 1
155 1 25 GLU H 1 25 GLU QG 5.000 . 5.000 3.111 2.041 4.062 . 0 0 "[ . 1 . 2 . ]" 1
156 1 25 GLU H 1 26 GLN H 2.800 . 2.800 2.738 2.713 2.769 . 0 0 "[ . 1 . 2 . ]" 1
157 1 25 GLU H 1 27 GLU H 5.000 . 5.000 4.044 3.997 4.140 . 0 0 "[ . 1 . 2 . ]" 1
158 1 25 GLU HA 1 28 LYS H 4.000 . 4.000 3.873 3.678 4.000 0.000 16 0 "[ . 1 . 2 . ]" 1
159 1 25 GLU HA 1 29 GLU H 5.000 . 5.000 4.529 4.166 5.006 0.006 2 0 "[ . 1 . 2 . ]" 1
160 1 26 GLN H 1 26 GLN HE21 5.000 . 5.000 3.525 3.039 4.269 . 0 0 "[ . 1 . 2 . ]" 1
161 1 26 GLN H 1 26 GLN HE22 5.000 . 5.000 4.822 3.354 5.062 0.062 28 0 "[ . 1 . 2 . ]" 1
162 1 26 GLN H 1 26 GLN QG 5.000 . 5.000 3.652 2.325 4.104 . 0 0 "[ . 1 . 2 . ]" 1
163 1 26 GLN H 1 27 GLU H 2.800 . 2.800 2.290 2.184 2.432 . 0 0 "[ . 1 . 2 . ]" 1
164 1 26 GLN HA 1 26 GLN HE21 5.000 . 5.000 2.225 1.926 4.188 . 0 0 "[ . 1 . 2 . ]" 1
165 1 26 GLN HA 1 27 GLU H 5.000 . 5.000 3.505 3.494 3.540 . 0 0 "[ . 1 . 2 . ]" 1
166 1 26 GLN HA 1 29 GLU H 3.500 . 3.500 3.521 3.486 3.563 0.063 1 0 "[ . 1 . 2 . ]" 1
167 1 26 GLN HA 1 29 GLU QB 3.500 . 3.500 2.275 2.108 2.652 . 0 0 "[ . 1 . 2 . ]" 1
168 1 26 GLN QB 1 27 GLU H 2.800 . 2.800 2.813 2.766 2.837 0.037 2 0 "[ . 1 . 2 . ]" 1
169 1 26 GLN HE22 1 29 GLU QB 5.000 . 5.000 4.861 4.221 5.014 0.014 26 0 "[ . 1 . 2 . ]" 1
170 1 26 GLN QG 1 27 GLU H 5.000 . 5.000 4.285 4.059 4.655 . 0 0 "[ . 1 . 2 . ]" 1
171 1 27 GLU H 1 27 GLU QG 5.000 . 5.000 3.356 1.892 4.032 . 0 0 "[ . 1 . 2 . ]" 1
172 1 27 GLU H 1 28 LYS H 2.800 . 2.800 2.566 2.482 2.647 . 0 0 "[ . 1 . 2 . ]" 1
173 1 27 GLU H 1 29 GLU H 5.000 . 5.000 3.527 3.425 3.735 . 0 0 "[ . 1 . 2 . ]" 1
174 1 27 GLU H 1 31 PHE HZ 4.500 . 4.500 4.565 4.497 4.611 0.111 17 0 "[ . 1 . 2 . ]" 1
175 1 27 GLU HA 1 28 LYS H 3.500 . 3.500 3.546 3.523 3.556 0.056 11 0 "[ . 1 . 2 . ]" 1
176 1 27 GLU HA 1 30 THR H 3.500 . 3.500 3.592 3.554 3.623 0.123 26 0 "[ . 1 . 2 . ]" 1
177 1 27 GLU HA 1 30 THR HB 4.000 . 4.000 4.023 3.982 4.049 0.049 2 0 "[ . 1 . 2 . ]" 1
178 1 27 GLU QG 1 31 PHE HZ 5.000 . 5.000 2.358 1.838 3.750 . 0 0 "[ . 1 . 2 . ]" 1
179 1 28 LYS H 1 28 LYS QD 5.000 . 5.000 4.446 3.510 4.873 . 0 0 "[ . 1 . 2 . ]" 1
180 1 28 LYS H 1 28 LYS QG 5.000 . 5.000 3.494 1.995 3.983 . 0 0 "[ . 1 . 2 . ]" 1
181 1 28 LYS H 1 29 GLU H 2.800 . 2.800 2.618 2.581 2.745 . 0 0 "[ . 1 . 2 . ]" 1
182 1 28 LYS H 1 31 PHE QD 5.000 . 5.000 4.444 4.239 4.628 . 0 0 "[ . 1 . 2 . ]" 1
183 1 28 LYS H 1 31 PHE HZ 5.000 . 5.000 3.778 3.677 3.928 . 0 0 "[ . 1 . 2 . ]" 1
184 1 28 LYS H 1 60 TYR QD 5.000 . 5.000 4.956 4.764 5.088 0.088 1 0 "[ . 1 . 2 . ]" 1
185 1 28 LYS HA 1 29 GLU H 5.000 . 5.000 3.412 3.394 3.430 . 0 0 "[ . 1 . 2 . ]" 1
186 1 28 LYS HA 1 31 PHE H 3.500 . 3.500 3.283 3.112 3.503 0.003 25 0 "[ . 1 . 2 . ]" 1
187 1 28 LYS HA 1 31 PHE QB 3.500 . 3.500 3.636 3.598 3.668 0.168 27 0 "[ . 1 . 2 . ]" 1
188 1 28 LYS HA 1 60 TYR QD 4.000 . 4.000 2.921 2.688 3.139 . 0 0 "[ . 1 . 2 . ]" 1
189 1 28 LYS QB 1 29 GLU H 5.000 . 5.000 3.013 2.958 3.106 . 0 0 "[ . 1 . 2 . ]" 1
190 1 28 LYS QD 1 60 TYR QD 4.000 . 4.000 3.515 2.327 4.044 0.044 15 0 "[ . 1 . 2 . ]" 1
191 1 28 LYS QG 1 29 GLU H 5.000 . 5.000 4.364 3.992 4.583 . 0 0 "[ . 1 . 2 . ]" 1
192 1 28 LYS QG 1 60 TYR QD 3.500 . 3.500 2.238 1.839 3.144 . 0 0 "[ . 1 . 2 . ]" 1
193 1 29 GLU H 1 29 GLU QG 5.000 . 5.000 3.814 3.539 4.032 . 0 0 "[ . 1 . 2 . ]" 1
194 1 29 GLU H 1 30 THR H 2.800 . 2.800 2.647 2.619 2.682 . 0 0 "[ . 1 . 2 . ]" 1
195 1 29 GLU H 1 31 PHE H 5.000 . 5.000 4.460 4.378 4.580 . 0 0 "[ . 1 . 2 . ]" 1
196 1 29 GLU H 1 31 PHE HZ 5.000 . 5.000 5.117 5.097 5.152 0.152 2 0 "[ . 1 . 2 . ]" 1
197 1 29 GLU HA 1 30 THR H 5.000 . 5.000 3.486 3.462 3.509 . 0 0 "[ . 1 . 2 . ]" 1
198 1 29 GLU HA 1 32 ARG H 4.000 . 4.000 4.032 4.006 4.076 0.076 26 0 "[ . 1 . 2 . ]" 1
199 1 29 GLU HA 1 32 ARG QB 4.000 . 4.000 3.103 2.966 3.281 . 0 0 "[ . 1 . 2 . ]" 1
200 1 29 GLU HA 1 33 GLU H 4.500 . 4.500 3.868 3.671 3.995 . 0 0 "[ . 1 . 2 . ]" 1
201 1 29 GLU HA 1 33 GLU QB 4.000 . 4.000 3.668 3.350 4.030 0.030 3 0 "[ . 1 . 2 . ]" 1
202 1 29 GLU QB 1 30 THR H 3.500 . 3.500 2.910 2.811 3.022 . 0 0 "[ . 1 . 2 . ]" 1
203 1 29 GLU QB 1 31 PHE H 5.000 . 5.000 5.052 5.024 5.084 0.084 25 0 "[ . 1 . 2 . ]" 1
204 1 29 GLU QG 1 30 THR H 5.000 . 5.000 4.450 4.238 4.726 . 0 0 "[ . 1 . 2 . ]" 1
205 1 30 THR H 1 31 PHE H 2.800 . 2.800 2.454 2.344 2.555 . 0 0 "[ . 1 . 2 . ]" 1
206 1 30 THR H 1 31 PHE QB 5.000 . 5.000 4.988 4.919 5.030 0.030 2 0 "[ . 1 . 2 . ]" 1
207 1 30 THR H 1 31 PHE QD 5.000 . 5.000 4.195 4.066 4.285 . 0 0 "[ . 1 . 2 . ]" 1
208 1 30 THR H 1 31 PHE HZ 5.000 . 5.000 4.759 4.681 4.818 . 0 0 "[ . 1 . 2 . ]" 1
209 1 30 THR H 1 32 ARG H 5.000 . 5.000 3.562 3.452 3.677 . 0 0 "[ . 1 . 2 . ]" 1
210 1 30 THR HA 1 31 PHE H 5.000 . 5.000 3.563 3.554 3.576 . 0 0 "[ . 1 . 2 . ]" 1
211 1 30 THR HA 1 33 GLU H 3.500 . 3.500 3.555 3.509 3.586 0.086 28 0 "[ . 1 . 2 . ]" 1
212 1 30 THR HA 1 33 GLU QB 3.500 . 3.500 2.719 2.576 2.837 . 0 0 "[ . 1 . 2 . ]" 1
213 1 30 THR HB 1 31 PHE H 5.000 . 5.000 2.519 2.344 3.629 . 0 0 "[ . 1 . 2 . ]" 1
214 1 30 THR MG 1 33 GLU H 5.000 . 5.000 4.771 4.684 4.861 . 0 0 "[ . 1 . 2 . ]" 1
215 1 30 THR MG 1 34 LYS H 5.000 . 5.000 4.290 4.142 4.895 . 0 0 "[ . 1 . 2 . ]" 1
216 1 30 THR MG 1 48 PHE QD 3.500 . 3.500 3.552 3.502 3.661 0.161 26 0 "[ . 1 . 2 . ]" 1
217 1 31 PHE H 1 31 PHE QD 5.000 . 5.000 2.594 2.506 2.715 . 0 0 "[ . 1 . 2 . ]" 1
218 1 31 PHE H 1 31 PHE QE 5.000 . 5.000 3.618 3.551 3.714 . 0 0 "[ . 1 . 2 . ]" 1
219 1 31 PHE H 1 31 PHE HZ 5.000 . 5.000 4.535 4.465 4.618 . 0 0 "[ . 1 . 2 . ]" 1
220 1 31 PHE H 1 32 ARG H 2.800 . 2.800 2.481 2.378 2.596 . 0 0 "[ . 1 . 2 . ]" 1
221 1 31 PHE H 1 33 GLU H 5.000 . 5.000 3.852 3.729 3.986 . 0 0 "[ . 1 . 2 . ]" 1
222 1 31 PHE H 1 45 ILE QG 5.000 . 5.000 5.079 4.917 5.134 0.134 26 0 "[ . 1 . 2 . ]" 1
223 1 31 PHE H 1 48 PHE HZ 4.000 . 4.000 3.223 2.861 3.608 . 0 0 "[ . 1 . 2 . ]" 1
224 1 31 PHE H 1 49 LEU QD 3.500 . 3.500 3.643 3.605 3.687 0.187 15 0 "[ . 1 . 2 . ]" 1
225 1 31 PHE H 1 60 TYR QD 5.000 . 5.000 5.120 5.087 5.147 0.147 22 0 "[ . 1 . 2 . ]" 1
226 1 31 PHE HA 1 32 ARG H 5.000 . 5.000 3.510 3.486 3.535 . 0 0 "[ . 1 . 2 . ]" 1
227 1 31 PHE HA 1 34 LYS H 4.000 . 4.000 3.506 3.359 3.622 . 0 0 "[ . 1 . 2 . ]" 1
228 1 31 PHE HA 1 35 PHE H 4.500 . 4.500 3.929 3.672 4.138 . 0 0 "[ . 1 . 2 . ]" 1
229 1 31 PHE HA 1 48 PHE HZ 3.500 . 3.500 2.187 1.894 2.564 . 0 0 "[ . 1 . 2 . ]" 1
230 1 31 PHE QB 1 32 ARG H 3.500 . 3.500 3.030 2.843 3.147 . 0 0 "[ . 1 . 2 . ]" 1
231 1 31 PHE QB 1 33 GLU H 5.000 . 5.000 4.770 4.625 4.919 . 0 0 "[ . 1 . 2 . ]" 1
232 1 31 PHE QB 1 34 LYS H 5.000 . 5.000 4.972 4.846 5.054 0.054 26 0 "[ . 1 . 2 . ]" 1
233 1 31 PHE QB 1 48 PHE HZ 4.500 . 4.500 3.077 2.649 3.523 . 0 0 "[ . 1 . 2 . ]" 1
234 1 31 PHE QB 1 60 TYR QD 4.000 . 4.000 3.317 3.096 3.440 . 0 0 "[ . 1 . 2 . ]" 1
235 1 31 PHE QD 1 32 ARG H 5.000 . 5.000 3.375 3.221 3.574 . 0 0 "[ . 1 . 2 . ]" 1
236 1 31 PHE QD 1 48 PHE HZ 3.500 . 3.500 2.192 1.836 3.076 . 0 0 "[ . 1 . 2 . ]" 1
237 1 31 PHE QD 1 49 LEU QD 2.800 . 2.800 1.741 1.683 1.796 . 0 0 "[ . 1 . 2 . ]" 1
238 1 31 PHE QD 1 60 TYR QD 5.000 . 5.000 1.840 1.753 1.917 . 0 0 "[ . 1 . 2 . ]" 1
239 1 31 PHE QD 1 60 TYR QE 4.500 . 4.500 1.932 1.861 2.100 . 0 0 "[ . 1 . 2 . ]" 1
240 1 31 PHE QE 1 60 TYR QD 5.000 . 5.000 2.974 2.764 3.130 . 0 0 "[ . 1 . 2 . ]" 1
241 1 31 PHE QE 1 60 TYR QE 4.000 . 4.000 4.066 3.725 4.133 0.133 27 0 "[ . 1 . 2 . ]" 1
242 1 31 PHE HZ 1 49 LEU QD 5.000 . 5.000 4.388 4.094 4.797 . 0 0 "[ . 1 . 2 . ]" 1
243 1 31 PHE HZ 1 60 TYR QD 5.000 . 5.000 5.181 5.045 5.266 0.266 3 0 "[ . 1 . 2 . ]" 1
244 1 32 ARG H 1 33 GLU H 2.800 . 2.800 2.408 2.331 2.530 . 0 0 "[ . 1 . 2 . ]" 1
245 1 32 ARG H 1 35 PHE H 5.000 . 5.000 4.725 4.532 4.846 . 0 0 "[ . 1 . 2 . ]" 1
246 1 32 ARG H 1 35 PHE QB 5.000 . 5.000 4.840 4.471 5.015 0.015 16 0 "[ . 1 . 2 . ]" 1
247 1 32 ARG H 1 49 LEU QD 5.000 . 5.000 4.997 4.890 5.102 0.102 25 0 "[ . 1 . 2 . ]" 1
248 1 32 ARG H 1 60 TYR QD 5.000 . 5.000 4.678 4.502 4.837 . 0 0 "[ . 1 . 2 . ]" 1
249 1 32 ARG HA 1 33 GLU H 5.000 . 5.000 3.480 3.458 3.521 . 0 0 "[ . 1 . 2 . ]" 1
250 1 32 ARG HA 1 35 PHE H 4.000 . 4.000 3.619 3.482 3.771 . 0 0 "[ . 1 . 2 . ]" 1
251 1 32 ARG HA 1 35 PHE QB 3.500 . 3.500 2.754 2.358 2.967 . 0 0 "[ . 1 . 2 . ]" 1
252 1 32 ARG HA 1 60 TYR QD 5.000 . 5.000 5.134 5.079 5.186 0.186 2 0 "[ . 1 . 2 . ]" 1
253 1 32 ARG QB 1 33 GLU H 5.000 . 5.000 2.911 2.766 3.016 . 0 0 "[ . 1 . 2 . ]" 1
254 1 33 GLU H 1 33 GLU QG 5.000 . 5.000 3.783 2.954 4.059 . 0 0 "[ . 1 . 2 . ]" 1
255 1 33 GLU H 1 34 LYS H 2.800 . 2.800 2.412 2.288 2.644 . 0 0 "[ . 1 . 2 . ]" 1
256 1 33 GLU H 1 35 PHE H 5.000 . 5.000 3.909 3.774 4.074 . 0 0 "[ . 1 . 2 . ]" 1
257 1 33 GLU H 1 45 ILE QG 5.000 . 5.000 4.990 4.889 5.039 0.039 22 0 "[ . 1 . 2 . ]" 1
258 1 33 GLU HA 1 34 LYS H 3.500 . 3.500 3.523 3.501 3.543 0.043 1 0 "[ . 1 . 2 . ]" 1
259 1 33 GLU HA 1 35 PHE H 5.000 . 5.000 4.456 4.283 4.591 . 0 0 "[ . 1 . 2 . ]" 1
260 1 33 GLU HA 1 36 MET H 3.500 . 3.500 3.356 3.175 3.496 . 0 0 "[ . 1 . 2 . ]" 1
261 1 33 GLU HA 1 36 MET QG 4.000 . 4.000 3.579 2.933 4.003 0.003 12 0 "[ . 1 . 2 . ]" 1
262 1 33 GLU QB 1 34 LYS H 2.800 . 2.800 2.714 2.551 2.793 . 0 0 "[ . 1 . 2 . ]" 1
263 1 33 GLU QB 1 37 GLN HE21 5.000 . 5.000 4.509 2.368 4.929 . 0 0 "[ . 1 . 2 . ]" 1
264 1 33 GLU QB 1 37 GLN HE22 5.000 . 5.000 4.852 3.357 5.012 0.012 22 0 "[ . 1 . 2 . ]" 1
265 1 33 GLU QG 1 34 LYS H 5.000 . 5.000 3.886 3.503 4.439 . 0 0 "[ . 1 . 2 . ]" 1
266 1 33 GLU QG 1 37 GLN HE21 4.500 . 4.500 3.497 2.764 4.524 0.024 26 0 "[ . 1 . 2 . ]" 1
267 1 34 LYS H 1 34 LYS QG 5.000 . 5.000 3.198 2.485 3.745 . 0 0 "[ . 1 . 2 . ]" 1
268 1 34 LYS H 1 35 PHE H 2.800 . 2.800 2.521 2.442 2.605 . 0 0 "[ . 1 . 2 . ]" 1
269 1 34 LYS H 1 35 PHE QB 5.000 . 5.000 4.284 4.182 4.371 . 0 0 "[ . 1 . 2 . ]" 1
270 1 34 LYS H 1 36 MET H 5.000 . 5.000 3.712 3.604 3.860 . 0 0 "[ . 1 . 2 . ]" 1
271 1 34 LYS H 1 37 GLN H 5.000 . 5.000 4.296 4.171 4.632 . 0 0 "[ . 1 . 2 . ]" 1
272 1 34 LYS H 1 38 HIS HD2 5.000 . 5.000 5.021 5.005 5.042 0.042 16 0 "[ . 1 . 2 . ]" 1
273 1 34 LYS H 1 44 LEU QD 5.000 . 5.000 5.003 4.863 5.044 0.044 3 0 "[ . 1 . 2 . ]" 1
274 1 34 LYS H 1 45 ILE QG 3.500 . 3.500 3.556 3.505 3.593 0.093 23 0 "[ . 1 . 2 . ]" 1
275 1 34 LYS HA 1 35 PHE H 5.000 . 5.000 3.533 3.517 3.547 . 0 0 "[ . 1 . 2 . ]" 1
276 1 34 LYS HA 1 37 GLN H 3.500 . 3.500 2.972 2.855 3.191 . 0 0 "[ . 1 . 2 . ]" 1
277 1 34 LYS HA 1 37 GLN QB 4.000 . 4.000 2.095 1.920 2.637 . 0 0 "[ . 1 . 2 . ]" 1
278 1 34 LYS HA 1 38 HIS H 4.500 . 4.500 3.840 3.602 4.056 . 0 0 "[ . 1 . 2 . ]" 1
279 1 34 LYS HA 1 38 HIS HD2 3.500 . 3.500 3.164 2.607 3.333 . 0 0 "[ . 1 . 2 . ]" 1
280 1 34 LYS QB 1 35 PHE H 5.000 . 5.000 2.650 2.534 2.760 . 0 0 "[ . 1 . 2 . ]" 1
281 1 34 LYS QB 1 38 HIS HD2 5.000 . 5.000 2.172 2.074 2.753 . 0 0 "[ . 1 . 2 . ]" 1
282 1 34 LYS QG 1 35 PHE H 5.000 . 5.000 4.390 4.099 4.556 . 0 0 "[ . 1 . 2 . ]" 1
283 1 34 LYS QG 1 38 HIS HD2 5.000 . 5.000 3.573 2.640 4.266 . 0 0 "[ . 1 . 2 . ]" 1
284 1 35 PHE H 1 35 PHE QD 5.000 . 5.000 4.172 4.141 4.185 . 0 0 "[ . 1 . 2 . ]" 1
285 1 35 PHE H 1 36 MET H 2.800 . 2.800 2.473 2.435 2.512 . 0 0 "[ . 1 . 2 . ]" 1
286 1 35 PHE H 1 36 MET HA 5.000 . 5.000 5.116 5.081 5.127 0.127 21 0 "[ . 1 . 2 . ]" 1
287 1 35 PHE H 1 37 GLN H 5.000 . 5.000 3.695 3.596 3.917 . 0 0 "[ . 1 . 2 . ]" 1
288 1 35 PHE H 1 38 HIS H 5.000 . 5.000 4.419 4.361 4.536 . 0 0 "[ . 1 . 2 . ]" 1
289 1 35 PHE H 1 38 HIS HD2 5.000 . 5.000 4.165 4.053 4.547 . 0 0 "[ . 1 . 2 . ]" 1
290 1 35 PHE H 1 45 ILE HB 5.000 . 5.000 4.842 3.479 5.013 0.013 23 0 "[ . 1 . 2 . ]" 1
291 1 35 PHE H 1 45 ILE MD 3.500 . 3.500 2.616 2.465 3.307 . 0 0 "[ . 1 . 2 . ]" 1
292 1 35 PHE H 1 45 ILE QG 4.000 . 4.000 2.529 2.234 2.636 . 0 0 "[ . 1 . 2 . ]" 1
293 1 35 PHE H 1 45 ILE MG 5.000 . 5.000 4.122 3.843 4.483 . 0 0 "[ . 1 . 2 . ]" 1
294 1 35 PHE HA 1 36 MET H 5.000 . 5.000 3.461 3.424 3.476 . 0 0 "[ . 1 . 2 . ]" 1
295 1 35 PHE HA 1 38 HIS H 3.500 . 3.500 3.130 2.864 3.340 . 0 0 "[ . 1 . 2 . ]" 1
296 1 35 PHE HA 1 45 ILE H 5.000 . 5.000 4.880 4.663 4.982 . 0 0 "[ . 1 . 2 . ]" 1
297 1 35 PHE QB 1 36 MET H 3.500 . 3.500 2.826 2.758 2.956 . 0 0 "[ . 1 . 2 . ]" 1
298 1 35 PHE QB 1 45 ILE H 5.000 . 5.000 5.105 5.062 5.131 0.131 21 0 "[ . 1 . 2 . ]" 1
299 1 35 PHE QD 1 36 MET H 5.000 . 5.000 3.629 3.484 3.823 . 0 0 "[ . 1 . 2 . ]" 1
300 1 35 PHE QD 1 36 MET HA 3.500 . 3.500 3.086 2.971 3.285 . 0 0 "[ . 1 . 2 . ]" 1
301 1 35 PHE QD 1 42 PHE HA 4.000 . 4.000 2.922 2.685 3.208 . 0 0 "[ . 1 . 2 . ]" 1
302 1 35 PHE QD 1 42 PHE QB 4.000 . 4.000 4.033 4.004 4.051 0.051 21 0 "[ . 1 . 2 . ]" 1
303 1 35 PHE QD 1 42 PHE QD 5.000 . 5.000 1.898 1.620 2.763 . 0 0 "[ . 1 . 2 . ]" 1
304 1 35 PHE QD 1 42 PHE QE 2.800 . 2.800 2.828 2.813 2.841 0.041 25 0 "[ . 1 . 2 . ]" 1
305 1 35 PHE QD 1 45 ILE HB 5.000 . 5.000 3.691 3.483 3.970 . 0 0 "[ . 1 . 2 . ]" 1
306 1 35 PHE QD 1 45 ILE MD 2.800 . 2.800 2.706 2.251 2.818 0.018 25 0 "[ . 1 . 2 . ]" 1
307 1 35 PHE QD 1 45 ILE QG 4.000 . 4.000 4.042 4.017 4.068 0.068 20 0 "[ . 1 . 2 . ]" 1
308 1 36 MET H 1 36 MET QG 5.000 . 5.000 3.387 2.678 4.072 . 0 0 "[ . 1 . 2 . ]" 1
309 1 36 MET H 1 37 GLN H 5.000 . 5.000 2.245 2.184 2.346 . 0 0 "[ . 1 . 2 . ]" 1
310 1 36 MET H 1 38 HIS H 5.000 . 5.000 3.799 3.640 4.104 . 0 0 "[ . 1 . 2 . ]" 1
311 1 36 MET H 1 45 ILE MD 5.000 . 5.000 4.082 3.929 5.008 0.008 1 0 "[ . 1 . 2 . ]" 1
312 1 36 MET HA 1 37 GLN H 3.500 . 3.500 3.443 3.408 3.505 0.005 2 0 "[ . 1 . 2 . ]" 1
313 1 36 MET QB 1 37 GLN H 5.000 . 5.000 2.806 2.599 2.889 . 0 0 "[ . 1 . 2 . ]" 1
314 1 36 MET QB 1 38 HIS H 5.000 . 5.000 4.733 4.538 5.007 0.007 25 0 "[ . 1 . 2 . ]" 1
315 1 37 GLN H 1 37 GLN QG 5.000 . 5.000 3.851 2.224 4.038 . 0 0 "[ . 1 . 2 . ]" 1
316 1 37 GLN H 1 38 HIS H 3.500 . 3.500 2.421 2.319 2.557 . 0 0 "[ . 1 . 2 . ]" 1
317 1 37 GLN H 1 38 HIS HD2 5.000 . 5.000 4.272 4.115 4.341 . 0 0 "[ . 1 . 2 . ]" 1
318 1 37 GLN HA 1 38 HIS H 5.000 . 5.000 3.496 3.480 3.535 . 0 0 "[ . 1 . 2 . ]" 1
319 1 37 GLN QB 1 38 HIS H 2.800 . 2.800 2.467 2.137 2.620 . 0 0 "[ . 1 . 2 . ]" 1
320 1 37 GLN QB 1 38 HIS HD2 2.800 . 2.800 2.953 2.855 2.976 0.176 21 0 "[ . 1 . 2 . ]" 1
321 1 37 GLN QB 1 38 HIS HE1 5.000 . 5.000 4.103 3.228 4.827 . 0 0 "[ . 1 . 2 . ]" 1
322 1 37 GLN QG 1 38 HIS H 5.000 . 5.000 3.924 3.650 4.111 . 0 0 "[ . 1 . 2 . ]" 1
323 1 37 GLN QG 1 38 HIS HD2 5.000 . 5.000 4.445 4.264 4.939 . 0 0 "[ . 1 . 2 . ]" 1
324 1 37 GLN QG 1 38 HIS HE1 5.000 . 5.000 3.556 2.701 5.033 0.033 21 0 "[ . 1 . 2 . ]" 1
325 1 38 HIS H 1 38 HIS HD2 5.000 . 5.000 3.058 2.722 3.175 . 0 0 "[ . 1 . 2 . ]" 1
326 1 38 HIS H 1 44 LEU QD 5.000 . 5.000 4.393 4.041 4.525 . 0 0 "[ . 1 . 2 . ]" 1
327 1 38 HIS HA 1 38 HIS HD2 5.000 . 5.000 4.626 4.444 4.719 . 0 0 "[ . 1 . 2 . ]" 1
328 1 38 HIS QB 1 41 ASN HD22 4.000 . 4.000 2.080 1.906 3.522 . 0 0 "[ . 1 . 2 . ]" 1
329 1 38 HIS HD2 1 44 LEU QB 5.000 . 5.000 3.372 2.918 3.726 . 0 0 "[ . 1 . 2 . ]" 1
330 1 38 HIS HD2 1 44 LEU QD 2.800 . 2.800 2.046 1.962 2.125 . 0 0 "[ . 1 . 2 . ]" 1
331 1 38 HIS HD2 1 44 LEU HG 5.000 . 5.000 4.846 4.684 4.959 . 0 0 "[ . 1 . 2 . ]" 1
332 1 38 HIS HD2 1 45 ILE HA 5.000 . 5.000 4.756 4.427 4.896 . 0 0 "[ . 1 . 2 . ]" 1
333 1 38 HIS HD2 1 45 ILE HB 5.000 . 5.000 5.048 4.147 5.137 0.137 27 0 "[ . 1 . 2 . ]" 1
334 1 38 HIS HD2 1 45 ILE QG 5.000 . 5.000 3.368 3.079 4.891 . 0 0 "[ . 1 . 2 . ]" 1
335 1 38 HIS HD2 1 48 PHE QD 5.000 . 5.000 5.099 5.062 5.124 0.124 7 0 "[ . 1 . 2 . ]" 1
336 1 38 HIS HD2 1 48 PHE QE 5.000 . 5.000 4.895 4.720 5.012 0.012 6 0 "[ . 1 . 2 . ]" 1
337 1 38 HIS HE1 1 44 LEU QB 5.000 . 5.000 4.542 4.075 5.029 0.029 9 0 "[ . 1 . 2 . ]" 1
338 1 38 HIS HE1 1 44 LEU QD 2.800 . 2.800 2.267 2.201 2.381 . 0 0 "[ . 1 . 2 . ]" 1
339 1 38 HIS HE1 1 44 LEU HG 5.000 . 5.000 5.033 5.011 5.079 0.079 3 0 "[ . 1 . 2 . ]" 1
340 1 40 LYS HA 1 41 ASN H 5.000 . 5.000 2.333 2.138 3.351 . 0 0 "[ . 1 . 2 . ]" 1
341 1 41 ASN H 1 41 ASN HD22 5.000 . 5.000 4.617 4.319 5.142 0.142 23 0 "[ . 1 . 2 . ]" 1
342 1 41 ASN HA 1 42 PHE H 3.500 . 3.500 3.553 3.521 3.566 0.066 21 0 "[ . 1 . 2 . ]" 1
343 1 41 ASN HA 1 43 GLY H 5.000 . 5.000 3.742 3.359 4.693 . 0 0 "[ . 1 . 2 . ]" 1
344 1 41 ASN QB 1 42 PHE H 5.000 . 5.000 2.927 1.959 3.235 . 0 0 "[ . 1 . 2 . ]" 1
345 1 41 ASN QB 1 44 LEU H 5.000 . 5.000 2.990 2.299 3.994 . 0 0 "[ . 1 . 2 . ]" 1
346 1 41 ASN QB 1 45 ILE H 5.000 . 5.000 4.627 3.599 5.012 0.012 23 0 "[ . 1 . 2 . ]" 1
347 1 41 ASN HD21 1 44 LEU HA 5.000 . 5.000 4.338 4.208 4.733 . 0 0 "[ . 1 . 2 . ]" 1
348 1 41 ASN HD21 1 44 LEU QD 4.000 . 4.000 3.341 3.029 3.475 . 0 0 "[ . 1 . 2 . ]" 1
349 1 41 ASN HD21 1 44 LEU HG 5.000 . 5.000 5.026 4.991 5.094 0.094 23 0 "[ . 1 . 2 . ]" 1
350 1 41 ASN HD22 1 44 LEU QD 4.000 . 4.000 2.915 2.618 3.843 . 0 0 "[ . 1 . 2 . ]" 1
351 1 42 PHE H 1 43 GLY H 5.000 . 5.000 2.779 2.609 3.352 . 0 0 "[ . 1 . 2 . ]" 1
352 1 42 PHE H 1 43 GLY QA 5.000 . 5.000 4.622 4.526 4.870 . 0 0 "[ . 1 . 2 . ]" 1
353 1 42 PHE H 1 45 ILE HB 4.000 . 4.000 3.997 3.737 4.059 0.059 25 0 "[ . 1 . 2 . ]" 1
354 1 42 PHE H 1 45 ILE MD 5.000 . 5.000 3.150 2.555 4.430 . 0 0 "[ . 1 . 2 . ]" 1
355 1 42 PHE H 1 54 VAL QG 5.000 . 5.000 4.582 4.247 4.958 . 0 0 "[ . 1 . 2 . ]" 1
356 1 42 PHE HA 1 43 GLY H 5.000 . 5.000 3.242 2.547 3.537 . 0 0 "[ . 1 . 2 . ]" 1
357 1 42 PHE HA 1 45 ILE HB 4.000 . 4.000 2.871 2.066 4.010 0.010 1 0 "[ . 1 . 2 . ]" 1
358 1 42 PHE QB 1 43 GLY H 5.000 . 5.000 3.405 2.726 3.904 . 0 0 "[ . 1 . 2 . ]" 1
359 1 42 PHE QD 1 43 GLY H 5.000 . 5.000 4.713 4.242 4.815 . 0 0 "[ . 1 . 2 . ]" 1
360 1 42 PHE QD 1 45 ILE H 5.000 . 5.000 4.891 4.106 5.049 0.049 2 0 "[ . 1 . 2 . ]" 1
361 1 42 PHE QD 1 46 ALA H 5.000 . 5.000 4.505 3.227 5.008 0.008 15 0 "[ . 1 . 2 . ]" 1
362 1 42 PHE QD 1 54 VAL QG 2.800 . 2.800 2.027 1.831 2.746 . 0 0 "[ . 1 . 2 . ]" 1
363 1 42 PHE QD 1 57 CYS H 5.000 . 5.000 5.000 4.600 5.095 0.095 22 0 "[ . 1 . 2 . ]" 1
364 1 42 PHE QD 1 58 VAL HA 5.000 . 5.000 4.985 4.800 5.032 0.032 2 0 "[ . 1 . 2 . ]" 1
365 1 42 PHE QD 1 58 VAL QG 5.000 . 5.000 3.524 3.073 4.896 . 0 0 "[ . 1 . 2 . ]" 1
366 1 42 PHE QE 1 57 CYS H 5.000 . 5.000 4.302 3.502 4.671 . 0 0 "[ . 1 . 2 . ]" 1
367 1 42 PHE HZ 1 57 CYS H 5.000 . 5.000 4.972 4.362 5.030 0.030 28 0 "[ . 1 . 2 . ]" 1
368 1 42 PHE HZ 1 57 CYS HA 5.000 . 5.000 4.552 4.157 5.022 0.022 22 0 "[ . 1 . 2 . ]" 1
369 1 42 PHE HZ 1 57 CYS QB 5.000 . 5.000 2.716 2.332 3.291 . 0 0 "[ . 1 . 2 . ]" 1
370 1 42 PHE HZ 1 60 TYR QD 5.000 . 5.000 3.135 2.758 3.588 . 0 0 "[ . 1 . 2 . ]" 1
371 1 42 PHE HZ 1 60 TYR QE 5.000 . 5.000 3.197 2.584 5.019 0.019 1 0 "[ . 1 . 2 . ]" 1
372 1 43 GLY H 1 44 LEU H 2.800 . 2.800 2.315 2.006 2.824 0.024 23 0 "[ . 1 . 2 . ]" 1
373 1 43 GLY H 1 44 LEU QB 5.000 . 5.000 4.109 3.804 4.645 . 0 0 "[ . 1 . 2 . ]" 1
374 1 43 GLY H 1 45 ILE H 5.000 . 5.000 3.855 2.530 4.355 . 0 0 "[ . 1 . 2 . ]" 1
375 1 43 GLY H 1 45 ILE HB 5.000 . 5.000 4.796 4.052 5.089 0.089 23 0 "[ . 1 . 2 . ]" 1
376 1 43 GLY H 1 45 ILE MD 5.000 . 5.000 4.370 4.062 5.066 0.066 1 0 "[ . 1 . 2 . ]" 1
377 1 43 GLY H 1 46 ALA H 5.000 . 5.000 4.346 3.179 4.710 . 0 0 "[ . 1 . 2 . ]" 1
378 1 43 GLY H 1 46 ALA MB 5.000 . 5.000 4.427 3.897 4.717 . 0 0 "[ . 1 . 2 . ]" 1
379 1 43 GLY H 1 54 VAL QG 3.500 . 3.500 3.507 2.863 3.571 0.071 15 0 "[ . 1 . 2 . ]" 1
380 1 43 GLY QA 1 44 LEU H 3.500 . 3.500 2.704 2.587 2.813 . 0 0 "[ . 1 . 2 . ]" 1
381 1 43 GLY QA 1 45 ILE H 5.000 . 5.000 4.365 4.057 4.522 . 0 0 "[ . 1 . 2 . ]" 1
382 1 43 GLY QA 1 46 ALA H 4.500 . 4.500 3.726 3.441 4.038 . 0 0 "[ . 1 . 2 . ]" 1
383 1 43 GLY QA 1 46 ALA MB 5.000 . 5.000 2.778 2.286 3.360 . 0 0 "[ . 1 . 2 . ]" 1
384 1 44 LEU H 1 44 LEU QD 5.000 . 5.000 3.621 3.533 3.686 . 0 0 "[ . 1 . 2 . ]" 1
385 1 44 LEU H 1 44 LEU HG 5.000 . 5.000 4.487 4.464 4.517 . 0 0 "[ . 1 . 2 . ]" 1
386 1 44 LEU H 1 45 ILE H 2.800 . 2.800 2.583 2.260 2.759 . 0 0 "[ . 1 . 2 . ]" 1
387 1 44 LEU H 1 45 ILE HB 5.000 . 5.000 4.490 4.143 4.656 . 0 0 "[ . 1 . 2 . ]" 1
388 1 44 LEU H 1 46 ALA H 5.000 . 5.000 3.994 3.634 4.259 . 0 0 "[ . 1 . 2 . ]" 1
389 1 44 LEU H 1 46 ALA MB 5.000 . 5.000 4.714 4.523 4.936 . 0 0 "[ . 1 . 2 . ]" 1
390 1 44 LEU H 1 54 VAL QG 5.000 . 5.000 4.711 4.397 5.004 0.004 28 0 "[ . 1 . 2 . ]" 1
391 1 44 LEU HA 1 45 ILE H 3.500 . 3.500 3.551 3.511 3.563 0.063 21 0 "[ . 1 . 2 . ]" 1
392 1 44 LEU QB 1 45 ILE H 5.000 . 5.000 2.404 2.309 2.641 . 0 0 "[ . 1 . 2 . ]" 1
393 1 44 LEU QB 1 47 SER H 5.000 . 5.000 4.760 4.680 4.862 . 0 0 "[ . 1 . 2 . ]" 1
394 1 44 LEU QD 1 45 ILE H 3.500 . 3.500 2.576 2.413 2.884 . 0 0 "[ . 1 . 2 . ]" 1
395 1 44 LEU QD 1 46 ALA H 5.000 . 5.000 4.448 4.160 4.810 . 0 0 "[ . 1 . 2 . ]" 1
396 1 44 LEU QD 1 47 SER H 5.000 . 5.000 4.058 3.908 4.308 . 0 0 "[ . 1 . 2 . ]" 1
397 1 44 LEU QD 1 48 PHE QD 2.800 . 2.800 1.940 1.884 2.057 . 0 0 "[ . 1 . 2 . ]" 1
398 1 44 LEU QD 1 48 PHE QE 3.500 . 3.500 3.177 3.106 3.284 . 0 0 "[ . 1 . 2 . ]" 1
399 1 44 LEU QD 1 48 PHE HZ 5.000 . 5.000 5.089 5.059 5.117 0.117 3 0 "[ . 1 . 2 . ]" 1
400 1 44 LEU HG 1 45 ILE H 5.000 . 5.000 4.101 3.953 4.359 . 0 0 "[ . 1 . 2 . ]" 1
401 1 44 LEU HG 1 47 SER H 5.000 . 5.000 4.635 4.467 4.917 . 0 0 "[ . 1 . 2 . ]" 1
402 1 44 LEU HG 1 48 PHE H 5.000 . 5.000 4.283 4.009 4.675 . 0 0 "[ . 1 . 2 . ]" 1
403 1 45 ILE H 1 45 ILE MD 5.000 . 5.000 2.057 1.833 4.397 . 0 0 "[ . 1 . 2 . ]" 1
404 1 45 ILE H 1 45 ILE QG 5.000 . 5.000 3.101 2.900 3.926 . 0 0 "[ . 1 . 2 . ]" 1
405 1 45 ILE H 1 46 ALA H 2.800 . 2.800 2.757 2.646 2.816 0.016 12 0 "[ . 1 . 2 . ]" 1
406 1 45 ILE H 1 46 ALA MB 5.000 . 5.000 4.409 4.337 4.502 . 0 0 "[ . 1 . 2 . ]" 1
407 1 45 ILE H 1 47 SER H 5.000 . 5.000 3.779 3.571 3.943 . 0 0 "[ . 1 . 2 . ]" 1
408 1 45 ILE H 1 48 PHE QD 5.000 . 5.000 4.168 4.049 4.286 . 0 0 "[ . 1 . 2 . ]" 1
409 1 45 ILE H 1 48 PHE QE 5.000 . 5.000 4.545 4.434 4.713 . 0 0 "[ . 1 . 2 . ]" 1
410 1 45 ILE HA 1 46 ALA H 4.000 . 4.000 3.520 3.473 3.541 . 0 0 "[ . 1 . 2 . ]" 1
411 1 45 ILE HB 1 46 ALA H 5.000 . 5.000 2.681 2.316 3.787 . 0 0 "[ . 1 . 2 . ]" 1
412 1 45 ILE HB 1 48 PHE QD 5.000 . 5.000 4.813 4.624 4.912 . 0 0 "[ . 1 . 2 . ]" 1
413 1 45 ILE MD 1 46 ALA H 5.000 . 5.000 3.928 3.788 4.103 . 0 0 "[ . 1 . 2 . ]" 1
414 1 45 ILE QG 1 46 ALA H 5.000 . 5.000 4.312 3.908 4.478 . 0 0 "[ . 1 . 2 . ]" 1
415 1 45 ILE QG 1 47 SER H 5.000 . 5.000 5.082 4.765 5.135 0.135 22 0 "[ . 1 . 2 . ]" 1
416 1 45 ILE QG 1 48 PHE H 5.000 . 5.000 5.075 5.039 5.115 0.115 6 0 "[ . 1 . 2 . ]" 1
417 1 45 ILE QG 1 48 PHE QD 4.000 . 4.000 3.105 2.937 3.878 . 0 0 "[ . 1 . 2 . ]" 1
418 1 45 ILE MG 1 46 ALA H 5.000 . 5.000 2.880 1.923 3.349 . 0 0 "[ . 1 . 2 . ]" 1
419 1 46 ALA H 1 47 SER H 2.800 . 2.800 2.658 2.559 2.725 . 0 0 "[ . 1 . 2 . ]" 1
420 1 46 ALA H 1 48 PHE H 5.000 . 5.000 4.412 4.294 4.507 . 0 0 "[ . 1 . 2 . ]" 1
421 1 46 ALA H 1 48 PHE QD 5.000 . 5.000 5.038 4.767 5.081 0.081 17 0 "[ . 1 . 2 . ]" 1
422 1 46 ALA H 1 54 VAL HA 5.000 . 5.000 4.644 4.155 5.006 0.006 10 0 "[ . 1 . 2 . ]" 1
423 1 46 ALA H 1 54 VAL QG 5.000 . 5.000 3.775 3.410 4.021 . 0 0 "[ . 1 . 2 . ]" 1
424 1 46 ALA H 1 57 CYS QB 5.000 . 5.000 4.959 4.542 5.037 0.037 24 0 "[ . 1 . 2 . ]" 1
425 1 46 ALA HA 1 47 SER H 3.500 . 3.500 3.264 3.123 3.385 . 0 0 "[ . 1 . 2 . ]" 1
426 1 46 ALA HA 1 48 PHE H 5.000 . 5.000 4.452 4.203 4.569 . 0 0 "[ . 1 . 2 . ]" 1
427 1 46 ALA MB 1 47 SER H 3.500 . 3.500 3.303 3.120 3.505 0.005 1 0 "[ . 1 . 2 . ]" 1
428 1 46 ALA MB 1 48 PHE H 5.000 . 5.000 4.944 4.835 5.036 0.036 9 0 "[ . 1 . 2 . ]" 1
429 1 46 ALA MB 1 54 VAL H 5.000 . 5.000 2.584 2.099 3.057 . 0 0 "[ . 1 . 2 . ]" 1
430 1 46 ALA MB 1 57 CYS H 5.000 . 5.000 4.357 3.704 4.943 . 0 0 "[ . 1 . 2 . ]" 1
431 1 47 SER HA 1 48 PHE H 5.000 . 5.000 3.542 3.492 3.564 . 0 0 "[ . 1 . 2 . ]" 1
432 1 47 SER HA 1 49 LEU H 5.000 . 5.000 4.259 4.009 4.725 . 0 0 "[ . 1 . 2 . ]" 1
433 1 47 SER QB 1 48 PHE H 5.000 . 5.000 2.812 2.641 3.017 . 0 0 "[ . 1 . 2 . ]" 1
434 1 48 PHE H 1 48 PHE QD 5.000 . 5.000 2.838 2.641 2.974 . 0 0 "[ . 1 . 2 . ]" 1
435 1 48 PHE H 1 48 PHE QE 5.000 . 5.000 4.565 4.357 4.692 . 0 0 "[ . 1 . 2 . ]" 1
436 1 48 PHE H 1 49 LEU H 2.800 . 2.800 2.361 2.300 2.413 . 0 0 "[ . 1 . 2 . ]" 1
437 1 48 PHE H 1 49 LEU QB 5.000 . 5.000 5.010 4.932 5.028 0.028 24 0 "[ . 1 . 2 . ]" 1
438 1 48 PHE H 1 49 LEU QD 5.000 . 5.000 3.542 3.144 3.728 . 0 0 "[ . 1 . 2 . ]" 1
439 1 48 PHE H 1 49 LEU HG 5.000 . 5.000 3.670 3.490 3.816 . 0 0 "[ . 1 . 2 . ]" 1
440 1 48 PHE H 1 50 GLU H 5.000 . 5.000 4.504 4.302 4.763 . 0 0 "[ . 1 . 2 . ]" 1
441 1 48 PHE HA 1 49 LEU H 5.000 . 5.000 3.459 3.418 3.539 . 0 0 "[ . 1 . 2 . ]" 1
442 1 48 PHE QB 1 49 LEU H 5.000 . 5.000 3.610 3.441 3.692 . 0 0 "[ . 1 . 2 . ]" 1
443 1 48 PHE QE 1 49 LEU QD 2.800 . 2.800 2.688 2.502 2.807 0.007 25 0 "[ . 1 . 2 . ]" 1
444 1 49 LEU H 1 49 LEU QD 5.000 . 5.000 2.110 1.932 2.384 . 0 0 "[ . 1 . 2 . ]" 1
445 1 49 LEU H 1 49 LEU HG 5.000 . 5.000 2.168 1.994 2.370 . 0 0 "[ . 1 . 2 . ]" 1
446 1 49 LEU H 1 50 GLU H 5.000 . 5.000 2.964 2.801 3.229 . 0 0 "[ . 1 . 2 . ]" 1
447 1 49 LEU H 1 52 LYS QG 5.000 . 5.000 4.644 4.408 4.861 . 0 0 "[ . 1 . 2 . ]" 1
448 1 49 LEU HA 1 50 GLU H 2.800 . 2.800 2.621 2.558 2.718 . 0 0 "[ . 1 . 2 . ]" 1
449 1 49 LEU HA 1 51 ARG H 5.000 . 5.000 3.670 3.379 4.177 . 0 0 "[ . 1 . 2 . ]" 1
450 1 49 LEU HA 1 52 LYS H 4.500 . 4.500 4.491 4.369 4.550 0.050 10 0 "[ . 1 . 2 . ]" 1
451 1 49 LEU QB 1 50 GLU H 5.000 . 5.000 3.968 3.955 3.980 . 0 0 "[ . 1 . 2 . ]" 1
452 1 49 LEU QB 1 51 ARG H 5.000 . 5.000 3.990 3.750 4.231 . 0 0 "[ . 1 . 2 . ]" 1
453 1 49 LEU QB 1 52 LYS H 3.500 . 3.500 3.296 3.151 3.427 . 0 0 "[ . 1 . 2 . ]" 1
454 1 49 LEU QD 1 50 GLU H 3.500 . 3.500 3.532 3.468 3.582 0.082 25 0 "[ . 1 . 2 . ]" 1
455 1 49 LEU QD 1 51 ARG H 5.000 . 5.000 4.192 4.060 4.345 . 0 0 "[ . 1 . 2 . ]" 1
456 1 49 LEU QD 1 52 LYS H 2.800 . 2.800 2.630 2.324 2.850 0.050 27 0 "[ . 1 . 2 . ]" 1
457 1 49 LEU HG 1 50 GLU H 5.000 . 5.000 4.771 4.575 4.935 . 0 0 "[ . 1 . 2 . ]" 1
458 1 50 GLU H 1 50 GLU QG 5.000 . 5.000 3.146 1.976 4.143 . 0 0 "[ . 1 . 2 . ]" 1
459 1 50 GLU H 1 51 ARG H 5.000 . 5.000 3.262 3.071 3.674 . 0 0 "[ . 1 . 2 . ]" 1
460 1 50 GLU H 1 52 LYS H 5.000 . 5.000 4.359 4.303 4.397 . 0 0 "[ . 1 . 2 . ]" 1
461 1 50 GLU H 1 52 LYS QG 5.000 . 5.000 5.050 4.899 5.116 0.116 20 0 "[ . 1 . 2 . ]" 1
462 1 50 GLU HA 1 51 ARG H 5.000 . 5.000 3.559 3.526 3.591 . 0 0 "[ . 1 . 2 . ]" 1
463 1 50 GLU HA 1 52 LYS H 5.000 . 5.000 3.738 3.608 3.916 . 0 0 "[ . 1 . 2 . ]" 1
464 1 50 GLU QB 1 51 ARG H 2.800 . 2.800 2.518 2.086 2.769 . 0 0 "[ . 1 . 2 . ]" 1
465 1 50 GLU QB 1 52 LYS H 5.000 . 5.000 4.410 4.303 4.538 . 0 0 "[ . 1 . 2 . ]" 1
466 1 50 GLU QG 1 51 ARG H 5.000 . 5.000 4.072 3.168 4.412 . 0 0 "[ . 1 . 2 . ]" 1
467 1 51 ARG H 1 51 ARG HE 5.000 . 5.000 4.249 2.527 5.005 0.005 18 0 "[ . 1 . 2 . ]" 1
468 1 51 ARG H 1 51 ARG QG 5.000 . 5.000 3.164 1.934 4.075 . 0 0 "[ . 1 . 2 . ]" 1
469 1 51 ARG H 1 52 LYS H 2.800 . 2.800 2.820 2.766 2.882 0.082 1 0 "[ . 1 . 2 . ]" 1
470 1 51 ARG H 1 52 LYS QE 5.000 . 5.000 4.783 4.168 5.044 0.044 22 0 "[ . 1 . 2 . ]" 1
471 1 51 ARG H 1 52 LYS QG 5.000 . 5.000 3.929 3.744 4.218 . 0 0 "[ . 1 . 2 . ]" 1
472 1 51 ARG HA 1 52 LYS H 5.000 . 5.000 3.467 3.455 3.477 . 0 0 "[ . 1 . 2 . ]" 1
473 1 52 LYS H 1 52 LYS QD 5.000 . 5.000 3.469 2.078 4.029 . 0 0 "[ . 1 . 2 . ]" 1
474 1 52 LYS H 1 52 LYS QE 5.000 . 5.000 3.179 2.863 3.620 . 0 0 "[ . 1 . 2 . ]" 1
475 1 52 LYS H 1 52 LYS QG 5.000 . 5.000 1.961 1.853 2.109 . 0 0 "[ . 1 . 2 . ]" 1
476 1 52 LYS H 1 53 THR H 5.000 . 5.000 4.134 3.357 4.506 . 0 0 "[ . 1 . 2 . ]" 1
477 1 52 LYS HA 1 53 THR H 5.000 . 5.000 2.423 2.134 2.852 . 0 0 "[ . 1 . 2 . ]" 1
478 1 52 LYS QD 1 53 THR H 5.000 . 5.000 4.814 4.180 5.031 0.031 1 0 "[ . 1 . 2 . ]" 1
479 1 52 LYS QE 1 53 THR H 5.000 . 5.000 4.501 3.998 5.023 0.023 27 0 "[ . 1 . 2 . ]" 1
480 1 53 THR H 1 54 VAL H 5.000 . 5.000 4.514 4.367 4.631 . 0 0 "[ . 1 . 2 . ]" 1
481 1 53 THR H 1 56 GLU H 5.000 . 5.000 3.867 2.819 4.484 . 0 0 "[ . 1 . 2 . ]" 1
482 1 53 THR H 1 57 CYS H 5.000 . 5.000 4.019 3.047 5.000 0.000 27 0 "[ . 1 . 2 . ]" 1
483 1 53 THR HA 1 54 VAL H 2.800 . 2.800 2.507 2.374 2.650 . 0 0 "[ . 1 . 2 . ]" 1
484 1 53 THR HA 1 55 ALA H 5.000 . 5.000 4.779 4.267 5.021 0.021 22 0 "[ . 1 . 2 . ]" 1
485 1 53 THR HA 1 56 GLU H 4.500 . 4.500 4.417 4.279 4.513 0.013 16 0 "[ . 1 . 2 . ]" 1
486 1 53 THR HB 1 54 VAL H 2.800 . 2.800 2.563 1.984 2.817 0.017 16 0 "[ . 1 . 2 . ]" 1
487 1 53 THR HB 1 55 ALA H 5.000 . 5.000 3.015 2.321 3.466 . 0 0 "[ . 1 . 2 . ]" 1
488 1 53 THR MG 1 54 VAL H 3.500 . 3.500 2.650 2.031 3.500 . 0 0 "[ . 1 . 2 . ]" 1
489 1 53 THR MG 1 55 ALA H 5.000 . 5.000 3.869 3.156 4.802 . 0 0 "[ . 1 . 2 . ]" 1
490 1 53 THR MG 1 56 GLU H 5.000 . 5.000 4.022 3.580 4.579 . 0 0 "[ . 1 . 2 . ]" 1
491 1 54 VAL H 1 55 ALA H 5.000 . 5.000 2.823 2.574 3.136 . 0 0 "[ . 1 . 2 . ]" 1
492 1 54 VAL H 1 55 ALA MB 5.000 . 5.000 4.474 4.271 4.675 . 0 0 "[ . 1 . 2 . ]" 1
493 1 54 VAL H 1 56 GLU H 5.000 . 5.000 3.737 3.507 4.034 . 0 0 "[ . 1 . 2 . ]" 1
494 1 54 VAL HA 1 55 ALA H 5.000 . 5.000 3.556 3.494 3.575 . 0 0 "[ . 1 . 2 . ]" 1
495 1 54 VAL HA 1 57 CYS H 3.500 . 3.500 3.524 3.432 3.573 0.073 18 0 "[ . 1 . 2 . ]" 1
496 1 54 VAL HA 1 57 CYS QB 4.000 . 4.000 2.821 2.580 3.257 . 0 0 "[ . 1 . 2 . ]" 1
497 1 54 VAL HB 1 55 ALA H 2.800 . 2.800 2.350 2.017 2.803 0.003 13 0 "[ . 1 . 2 . ]" 1
498 1 54 VAL QG 1 55 ALA H 3.500 . 3.500 3.074 2.812 3.370 . 0 0 "[ . 1 . 2 . ]" 1
499 1 54 VAL QG 1 56 GLU H 5.000 . 5.000 4.339 4.136 4.565 . 0 0 "[ . 1 . 2 . ]" 1
500 1 54 VAL QG 1 57 CYS H 5.000 . 5.000 4.296 4.137 4.429 . 0 0 "[ . 1 . 2 . ]" 1
501 1 54 VAL QG 1 58 VAL H 5.000 . 5.000 4.794 4.480 5.015 0.015 5 0 "[ . 1 . 2 . ]" 1
502 1 55 ALA H 1 56 GLU H 2.800 . 2.800 2.497 2.261 2.632 . 0 0 "[ . 1 . 2 . ]" 1
503 1 55 ALA HA 1 58 VAL H 5.000 . 5.000 3.748 3.632 3.987 . 0 0 "[ . 1 . 2 . ]" 1
504 1 55 ALA HA 1 58 VAL HB 4.000 . 4.000 3.993 3.733 4.026 0.026 20 0 "[ . 1 . 2 . ]" 1
505 1 55 ALA MB 1 56 GLU H 3.500 . 3.500 2.937 2.728 3.273 . 0 0 "[ . 1 . 2 . ]" 1
506 1 55 ALA MB 1 58 VAL H 5.000 . 5.000 4.789 4.637 5.010 0.010 18 0 "[ . 1 . 2 . ]" 1
507 1 56 GLU H 1 56 GLU QG 5.000 . 5.000 4.037 3.974 4.096 . 0 0 "[ . 1 . 2 . ]" 1
508 1 56 GLU H 1 57 CYS H 2.800 . 2.800 2.331 2.071 2.444 . 0 0 "[ . 1 . 2 . ]" 1
509 1 56 GLU HA 1 57 CYS H 5.000 . 5.000 3.444 3.341 3.492 . 0 0 "[ . 1 . 2 . ]" 1
510 1 56 GLU HA 1 59 LEU QB 4.000 . 4.000 3.743 3.480 4.002 0.002 23 0 "[ . 1 . 2 . ]" 1
511 1 56 GLU QG 1 57 CYS H 5.000 . 5.000 4.152 3.892 4.607 . 0 0 "[ . 1 . 2 . ]" 1
512 1 56 GLU QG 1 57 CYS HA 5.000 . 5.000 4.120 3.725 4.851 . 0 0 "[ . 1 . 2 . ]" 1
513 1 57 CYS H 1 58 VAL H 2.800 . 2.800 2.459 2.216 2.674 . 0 0 "[ . 1 . 2 . ]" 1
514 1 57 CYS H 1 58 VAL HB 5.000 . 5.000 4.749 4.542 4.956 . 0 0 "[ . 1 . 2 . ]" 1
515 1 57 CYS H 1 58 VAL QG 5.000 . 5.000 3.701 3.380 4.202 . 0 0 "[ . 1 . 2 . ]" 1
516 1 57 CYS H 1 59 LEU QB 5.000 . 5.000 5.029 4.933 5.051 0.051 1 0 "[ . 1 . 2 . ]" 1
517 1 57 CYS HA 1 58 VAL H 5.000 . 5.000 3.459 3.422 3.503 . 0 0 "[ . 1 . 2 . ]" 1
518 1 57 CYS HA 1 60 TYR H 4.000 . 4.000 3.807 3.482 4.012 0.012 25 0 "[ . 1 . 2 . ]" 1
519 1 57 CYS HA 1 60 TYR QB 4.000 . 4.000 3.555 3.189 3.883 . 0 0 "[ . 1 . 2 . ]" 1
520 1 57 CYS QB 1 58 VAL H 3.500 . 3.500 2.966 2.818 3.063 . 0 0 "[ . 1 . 2 . ]" 1
521 1 58 VAL H 1 59 LEU H 2.800 . 2.800 2.692 2.633 2.771 . 0 0 "[ . 1 . 2 . ]" 1
522 1 58 VAL HA 1 59 LEU H 5.000 . 5.000 3.443 3.408 3.496 . 0 0 "[ . 1 . 2 . ]" 1
523 1 58 VAL HA 1 61 TYR H 3.500 . 3.500 3.145 2.975 3.501 0.001 7 0 "[ . 1 . 2 . ]" 1
524 1 58 VAL HA 1 61 TYR QB 3.500 . 3.500 2.580 2.202 3.373 . 0 0 "[ . 1 . 2 . ]" 1
525 1 58 VAL HA 1 61 TYR QD 5.000 . 5.000 3.039 2.364 3.825 . 0 0 "[ . 1 . 2 . ]" 1
526 1 58 VAL HA 1 62 TYR H 5.000 . 5.000 4.463 3.903 5.044 0.044 8 0 "[ . 1 . 2 . ]" 1
527 1 58 VAL HB 1 59 LEU H 5.000 . 5.000 3.297 2.760 4.210 . 0 0 "[ . 1 . 2 . ]" 1
528 1 58 VAL QG 1 59 LEU H 5.000 . 5.000 3.184 2.202 3.504 . 0 0 "[ . 1 . 2 . ]" 1
529 1 58 VAL QG 1 60 TYR H 5.000 . 5.000 4.080 3.812 4.481 . 0 0 "[ . 1 . 2 . ]" 1
530 1 58 VAL QG 1 61 TYR QD 5.000 . 5.000 2.246 1.831 2.507 . 0 0 "[ . 1 . 2 . ]" 1
531 1 58 VAL QG 1 62 TYR H 5.000 . 5.000 3.664 3.196 4.058 . 0 0 "[ . 1 . 2 . ]" 1
532 1 58 VAL QG 1 62 TYR QD 2.800 . 2.800 2.791 2.063 2.880 0.080 23 0 "[ . 1 . 2 . ]" 1
533 1 59 LEU H 1 60 TYR H 2.800 . 2.800 2.680 2.588 2.826 0.026 8 0 "[ . 1 . 2 . ]" 1
534 1 59 LEU HA 1 60 TYR H 5.000 . 5.000 3.331 3.211 3.511 . 0 0 "[ . 1 . 2 . ]" 1
535 1 59 LEU HA 1 62 TYR H 4.000 . 4.000 4.035 3.852 4.077 0.077 5 0 "[ . 1 . 2 . ]" 1
536 1 59 LEU HA 1 62 TYR QB 5.000 . 5.000 4.609 4.060 5.058 0.058 7 0 "[ . 1 . 2 . ]" 1
537 1 59 LEU QB 1 60 TYR H 5.000 . 5.000 3.256 2.542 3.479 . 0 0 "[ . 1 . 2 . ]" 1
538 1 59 LEU QB 1 61 TYR H 5.000 . 5.000 4.811 4.330 5.091 0.091 1 0 "[ . 1 . 2 . ]" 1
539 1 60 TYR H 1 60 TYR QD 5.000 . 5.000 2.630 2.248 3.535 . 0 0 "[ . 1 . 2 . ]" 1
540 1 60 TYR H 1 61 TYR H 2.800 . 2.800 2.085 1.866 2.602 . 0 0 "[ . 1 . 2 . ]" 1
541 1 60 TYR H 1 61 TYR QD 5.000 . 5.000 4.256 3.951 4.911 . 0 0 "[ . 1 . 2 . ]" 1
542 1 60 TYR H 1 62 TYR QE 5.000 . 5.000 4.959 4.564 5.064 0.064 4 0 "[ . 1 . 2 . ]" 1
543 1 60 TYR H 1 63 LEU H 5.000 . 5.000 5.004 4.650 5.098 0.098 16 0 "[ . 1 . 2 . ]" 1
544 1 60 TYR H 1 63 LEU QD 3.500 . 3.500 3.559 3.500 3.604 0.104 24 0 "[ . 1 . 2 . ]" 1
545 1 60 TYR HA 1 61 TYR H 5.000 . 5.000 3.367 3.274 3.502 . 0 0 "[ . 1 . 2 . ]" 1
546 1 60 TYR HA 1 63 LEU H 4.000 . 4.000 3.743 3.238 4.003 0.003 1 0 "[ . 1 . 2 . ]" 1
547 1 60 TYR HA 1 63 LEU QB 4.000 . 4.000 3.463 1.954 4.076 0.076 22 0 "[ . 1 . 2 . ]" 1
548 1 60 TYR HA 1 64 THR H 5.000 . 5.000 4.569 3.597 5.006 0.006 15 0 "[ . 1 . 2 . ]" 1
549 1 60 TYR QB 1 61 TYR H 5.000 . 5.000 3.641 2.917 3.828 . 0 0 "[ . 1 . 2 . ]" 1
550 1 60 TYR QD 1 61 TYR QB 5.000 . 5.000 2.579 2.389 2.897 . 0 0 "[ . 1 . 2 . ]" 1
551 1 60 TYR QD 1 64 THR MG 3.500 . 3.500 3.569 3.520 3.649 0.149 18 0 "[ . 1 . 2 . ]" 1
552 1 60 TYR QE 1 61 TYR H 4.500 . 4.500 4.302 3.966 4.561 0.061 1 0 "[ . 1 . 2 . ]" 1
553 1 61 TYR H 1 61 TYR QD 5.000 . 5.000 2.746 2.687 2.995 . 0 0 "[ . 1 . 2 . ]" 1
554 1 61 TYR H 1 61 TYR QE 5.000 . 5.000 5.035 5.004 5.087 0.087 4 0 "[ . 1 . 2 . ]" 1
555 1 61 TYR H 1 62 TYR H 2.800 . 2.800 2.346 2.209 2.658 . 0 0 "[ . 1 . 2 . ]" 1
556 1 61 TYR H 1 62 TYR QD 5.000 . 5.000 4.055 3.566 4.487 . 0 0 "[ . 1 . 2 . ]" 1
557 1 61 TYR HA 1 62 TYR H 5.000 . 5.000 3.516 3.416 3.590 . 0 0 "[ . 1 . 2 . ]" 1
558 1 61 TYR HA 1 64 THR H 4.000 . 4.000 3.356 2.785 3.847 . 0 0 "[ . 1 . 2 . ]" 1
559 1 61 TYR HA 1 70 TYR QE 5.000 . 5.000 4.493 3.611 5.045 0.045 4 0 "[ . 1 . 2 . ]" 1
560 1 61 TYR QB 1 62 TYR H 5.000 . 5.000 3.372 3.128 3.563 . 0 0 "[ . 1 . 2 . ]" 1
561 1 61 TYR QD 1 62 TYR HA 5.000 . 5.000 3.594 3.381 3.954 . 0 0 "[ . 1 . 2 . ]" 1
562 1 61 TYR QD 1 62 TYR QB 5.000 . 5.000 2.722 2.347 3.294 . 0 0 "[ . 1 . 2 . ]" 1
563 1 61 TYR QE 1 62 TYR H 5.000 . 5.000 3.854 3.596 4.191 . 0 0 "[ . 1 . 2 . ]" 1
564 1 61 TYR QE 1 62 TYR HA 5.000 . 5.000 3.826 3.512 4.120 . 0 0 "[ . 1 . 2 . ]" 1
565 1 61 TYR QE 1 62 TYR QB 5.000 . 5.000 2.437 2.061 3.006 . 0 0 "[ . 1 . 2 . ]" 1
566 1 61 TYR QE 1 65 LYS QE 4.000 . 4.000 2.954 1.964 4.005 0.005 24 0 "[ . 1 . 2 . ]" 1
567 1 62 TYR H 1 62 TYR QD 5.000 . 5.000 2.706 2.289 2.932 . 0 0 "[ . 1 . 2 . ]" 1
568 1 62 TYR H 1 62 TYR QE 5.000 . 5.000 4.436 4.145 4.722 . 0 0 "[ . 1 . 2 . ]" 1
569 1 62 TYR H 1 63 LEU H 2.800 . 2.800 2.487 2.075 2.646 . 0 0 "[ . 1 . 2 . ]" 1
570 1 62 TYR H 1 63 LEU QD 3.500 . 3.500 2.997 2.524 3.631 0.131 8 0 "[ . 1 . 2 . ]" 1
571 1 62 TYR HA 1 63 LEU H 5.000 . 5.000 3.311 3.255 3.434 . 0 0 "[ . 1 . 2 . ]" 1
572 1 62 TYR HA 1 65 LYS H 3.500 . 3.500 3.524 3.414 3.579 0.079 26 0 "[ . 1 . 2 . ]" 1
573 1 62 TYR HA 1 65 LYS QB 4.000 . 4.000 3.975 3.754 4.048 0.048 28 0 "[ . 1 . 2 . ]" 1
574 1 62 TYR QB 1 63 LEU H 5.000 . 5.000 3.834 3.682 3.899 . 0 0 "[ . 1 . 2 . ]" 1
575 1 62 TYR QD 1 63 LEU H 5.000 . 5.000 3.533 1.983 3.929 . 0 0 "[ . 1 . 2 . ]" 1
576 1 62 TYR QD 1 63 LEU QD 2.800 . 2.800 2.658 2.304 2.873 0.073 26 0 "[ . 1 . 2 . ]" 1
577 1 62 TYR QD 1 63 LEU HG 5.000 . 5.000 3.894 2.465 5.012 0.012 4 0 "[ . 1 . 2 . ]" 1
578 1 62 TYR QE 1 63 LEU H 5.000 . 5.000 4.734 3.718 5.012 0.012 5 0 "[ . 1 . 2 . ]" 1
579 1 62 TYR QE 1 63 LEU QD 3.500 . 3.500 2.399 1.826 3.413 . 0 0 "[ . 1 . 2 . ]" 1
580 1 62 TYR QE 1 63 LEU HG 5.000 . 5.000 3.802 2.201 5.046 0.046 28 0 "[ . 1 . 2 . ]" 1
581 1 63 LEU H 1 63 LEU QD 5.000 . 5.000 2.245 1.848 2.876 . 0 0 "[ . 1 . 2 . ]" 1
582 1 63 LEU H 1 63 LEU HG 5.000 . 5.000 3.089 1.937 4.381 . 0 0 "[ . 1 . 2 . ]" 1
583 1 63 LEU H 1 64 THR H 2.800 . 2.800 2.080 1.980 2.311 . 0 0 "[ . 1 . 2 . ]" 1
584 1 63 LEU H 1 64 THR MG 5.000 . 5.000 3.464 3.099 4.065 . 0 0 "[ . 1 . 2 . ]" 1
585 1 63 LEU H 1 65 LYS H 5.000 . 5.000 3.574 3.292 3.890 . 0 0 "[ . 1 . 2 . ]" 1
586 1 63 LEU HA 1 66 LYS QB 4.000 . 4.000 2.645 1.960 3.785 . 0 0 "[ . 1 . 2 . ]" 1
587 1 63 LEU QB 1 64 THR H 5.000 . 5.000 3.050 2.490 3.825 . 0 0 "[ . 1 . 2 . ]" 1
588 1 63 LEU QD 1 64 THR H 5.000 . 5.000 3.374 1.940 4.084 . 0 0 "[ . 1 . 2 . ]" 1
589 1 63 LEU HG 1 64 THR H 5.000 . 5.000 4.258 2.850 5.058 0.058 1 0 "[ . 1 . 2 . ]" 1
590 1 64 THR H 1 65 LYS H 2.800 . 2.800 2.331 1.964 2.751 . 0 0 "[ . 1 . 2 . ]" 1
591 1 64 THR H 1 65 LYS QD 5.000 . 5.000 4.848 4.189 5.037 0.037 20 0 "[ . 1 . 2 . ]" 1
592 1 64 THR H 1 65 LYS QG 5.000 . 5.000 3.765 3.259 4.425 . 0 0 "[ . 1 . 2 . ]" 1
593 1 64 THR HA 1 65 LYS H 5.000 . 5.000 3.452 3.291 3.540 . 0 0 "[ . 1 . 2 . ]" 1
594 1 64 THR HA 1 67 ASN QB 5.000 . 5.000 4.589 3.957 5.062 0.062 28 0 "[ . 1 . 2 . ]" 1
595 1 64 THR HA 1 70 TYR QE 3.500 . 3.500 3.594 3.538 3.641 0.141 21 0 "[ . 1 . 2 . ]" 1
596 1 64 THR MG 1 65 LYS H 5.000 . 5.000 3.230 2.255 4.154 . 0 0 "[ . 1 . 2 . ]" 1
597 1 64 THR MG 1 70 TYR QE 5.000 . 5.000 2.765 1.951 3.807 . 0 0 "[ . 1 . 2 . ]" 1
598 1 65 LYS H 1 65 LYS QD 5.000 . 5.000 3.537 3.032 3.817 . 0 0 "[ . 1 . 2 . ]" 1
599 1 65 LYS H 1 65 LYS QG 5.000 . 5.000 2.114 1.917 2.921 . 0 0 "[ . 1 . 2 . ]" 1
600 1 65 LYS H 1 66 LYS H 3.500 . 3.500 2.198 1.972 2.576 . 0 0 "[ . 1 . 2 . ]" 1
601 1 65 LYS H 1 70 TYR QD 5.000 . 5.000 4.538 4.153 5.072 0.072 28 0 "[ . 1 . 2 . ]" 1
602 1 65 LYS H 1 70 TYR QE 5.000 . 5.000 3.303 2.522 3.835 . 0 0 "[ . 1 . 2 . ]" 1
603 1 65 LYS HA 1 66 LYS H 5.000 . 5.000 3.411 3.075 3.548 . 0 0 "[ . 1 . 2 . ]" 1
604 1 65 LYS HA 1 68 GLU H 2.800 . 2.800 2.831 2.806 2.920 0.120 28 0 "[ . 1 . 2 . ]" 1
605 1 65 LYS HA 1 70 TYR QD 2.800 . 2.800 2.399 1.973 2.840 0.040 21 0 "[ . 1 . 2 . ]" 1
606 1 65 LYS HA 1 70 TYR QE 3.500 . 3.500 2.972 2.655 3.211 . 0 0 "[ . 1 . 2 . ]" 1
607 1 65 LYS QB 1 66 LYS H 5.000 . 5.000 3.546 2.603 3.920 . 0 0 "[ . 1 . 2 . ]" 1
608 1 65 LYS QB 1 70 TYR QD 3.500 . 3.500 3.143 2.732 3.507 0.007 17 0 "[ . 1 . 2 . ]" 1
609 1 65 LYS QB 1 70 TYR QE 3.500 . 3.500 3.197 1.858 3.582 0.082 26 0 "[ . 1 . 2 . ]" 1
610 1 65 LYS QD 1 66 LYS H 5.000 . 5.000 4.214 2.346 5.007 0.007 7 0 "[ . 1 . 2 . ]" 1
611 1 65 LYS QD 1 70 TYR QD 5.000 . 5.000 4.858 4.447 5.053 0.053 28 0 "[ . 1 . 2 . ]" 1
612 1 65 LYS QG 1 66 LYS H 5.000 . 5.000 2.829 2.118 4.162 . 0 0 "[ . 1 . 2 . ]" 1
613 1 65 LYS QG 1 70 TYR QD 5.000 . 5.000 4.451 2.455 5.063 0.063 21 0 "[ . 1 . 2 . ]" 1
614 1 66 LYS H 1 66 LYS QD 5.000 . 5.000 4.105 2.284 4.660 . 0 0 "[ . 1 . 2 . ]" 1
615 1 66 LYS H 1 67 ASN H 5.000 . 5.000 2.667 2.301 3.130 . 0 0 "[ . 1 . 2 . ]" 1
616 1 66 LYS HA 1 67 ASN H 3.500 . 3.500 3.410 2.753 3.516 0.016 21 0 "[ . 1 . 2 . ]" 1
617 1 66 LYS QB 1 67 ASN H 5.000 . 5.000 3.079 2.617 3.869 . 0 0 "[ . 1 . 2 . ]" 1
618 1 67 ASN H 1 68 GLU H 5.000 . 5.000 1.962 1.789 2.539 . 0 0 "[ . 1 . 2 . ]" 1
619 1 67 ASN HA 1 68 GLU H 5.000 . 5.000 3.421 3.231 3.527 . 0 0 "[ . 1 . 2 . ]" 1
620 1 67 ASN QB 1 68 GLU H 5.000 . 5.000 3.142 2.738 3.650 . 0 0 "[ . 1 . 2 . ]" 1
621 1 68 GLU H 1 68 GLU QG 5.000 . 5.000 3.518 2.322 4.169 . 0 0 "[ . 1 . 2 . ]" 1
622 1 68 GLU H 1 69 ASN H 2.800 . 2.800 2.085 1.934 2.726 . 0 0 "[ . 1 . 2 . ]" 1
623 1 68 GLU HA 1 69 ASN H 5.000 . 5.000 3.424 2.529 3.534 . 0 0 "[ . 1 . 2 . ]" 1
624 1 68 GLU QB 1 69 ASN H 5.000 . 5.000 2.895 2.602 3.911 . 0 0 "[ . 1 . 2 . ]" 1
625 1 69 ASN H 1 70 TYR H 4.000 . 4.000 3.142 1.982 3.989 . 0 0 "[ . 1 . 2 . ]" 1
626 1 69 ASN HA 1 70 TYR H 2.800 . 2.800 2.398 2.153 2.961 0.161 21 0 "[ . 1 . 2 . ]" 1
627 1 69 ASN QB 1 70 TYR H 5.000 . 5.000 3.887 3.676 4.023 . 0 0 "[ . 1 . 2 . ]" 1
628 1 70 TYR H 1 70 TYR QD 5.000 . 5.000 2.595 1.949 3.671 . 0 0 "[ . 1 . 2 . ]" 1
629 1 70 TYR H 1 70 TYR QE 5.000 . 5.000 4.369 3.971 5.101 0.101 21 0 "[ . 1 . 2 . ]" 1
630 1 70 TYR H 1 71 LYS H 4.000 . 4.000 3.626 2.435 4.140 0.140 13 0 "[ . 1 . 2 . ]" 1
631 1 70 TYR HA 1 71 LYS H 2.800 . 2.800 2.442 2.133 2.870 0.070 12 0 "[ . 1 . 2 . ]" 1
632 1 70 TYR QB 1 71 LYS H 5.000 . 5.000 3.393 1.920 4.059 . 0 0 "[ . 1 . 2 . ]" 1
633 1 70 TYR QD 1 71 LYS H 5.000 . 5.000 3.977 2.029 4.450 . 0 0 "[ . 1 . 2 . ]" 1
634 1 70 TYR QD 1 71 LYS HA 5.000 . 5.000 4.034 3.214 4.531 . 0 0 "[ . 1 . 2 . ]" 1
635 1 70 TYR QE 1 71 LYS HA 5.000 . 5.000 4.935 4.338 5.039 0.039 23 0 "[ . 1 . 2 . ]" 1
636 1 71 LYS H 1 71 LYS QD 5.000 . 5.000 3.963 2.140 5.002 0.002 3 0 "[ . 1 . 2 . ]" 1
637 1 71 LYS H 1 71 LYS QG 5.000 . 5.000 3.099 2.006 4.289 . 0 0 "[ . 1 . 2 . ]" 1
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