NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
644049 |
6uzj   |
30684 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6uzj
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 497
_Distance_constraint_stats_list.Viol_count 582
_Distance_constraint_stats_list.Viol_total 1177.280
_Distance_constraint_stats_list.Viol_max 0.476
_Distance_constraint_stats_list.Viol_rms 0.0302
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.1011
_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 26 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PHE 1.246 0.120 12 0 "[ . 1 . 2]"
1 28 CYS 2.727 0.206 10 0 "[ . 1 . 2]"
1 29 GLY 2.222 0.206 10 0 "[ . 1 . 2]"
1 30 ARG 2.005 0.258 16 0 "[ . 1 . 2]"
1 31 ALA 0.116 0.064 19 0 "[ . 1 . 2]"
1 32 ARG 5.567 0.446 19 0 "[ . 1 . 2]"
1 33 VAL 1.810 0.248 10 0 "[ . 1 . 2]"
1 34 HIS 0.181 0.149 6 0 "[ . 1 . 2]"
1 35 THR 3.553 0.315 6 0 "[ . 1 . 2]"
1 36 ASP 0.887 0.186 16 0 "[ . 1 . 2]"
1 37 PHE 5.600 0.192 18 0 "[ . 1 . 2]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PRO 0.187 0.091 4 0 "[ . 1 . 2]"
1 40 SER 0.360 0.131 2 0 "[ . 1 . 2]"
1 41 PRO 0.676 0.221 11 0 "[ . 1 . 2]"
1 42 TYR 0.646 0.131 2 0 "[ . 1 . 2]"
1 43 ASP 0.676 0.221 11 0 "[ . 1 . 2]"
1 44 THR 1.478 0.189 13 0 "[ . 1 . 2]"
1 45 ASP 1.192 0.189 13 0 "[ . 1 . 2]"
1 46 SER 0.187 0.091 4 0 "[ . 1 . 2]"
1 47 LEU 3.425 0.229 6 0 "[ . 1 . 2]"
1 48 LYS 0.583 0.476 19 0 "[ . 1 . 2]"
1 49 ILE 1.246 0.189 4 0 "[ . 1 . 2]"
1 50 LYS 1.590 0.327 17 0 "[ . 1 . 2]"
1 51 LYS 0.427 0.158 7 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASP 1.590 0.327 17 0 "[ . 1 . 2]"
1 54 ILE 3.314 0.283 20 0 "[ . 1 . 2]"
1 55 ILE 2.741 0.229 6 0 "[ . 1 . 2]"
1 56 ASP 0.422 0.150 10 0 "[ . 1 . 2]"
1 57 ILE 2.102 0.141 3 0 "[ . 1 . 2]"
1 58 ILE 1.117 0.151 1 0 "[ . 1 . 2]"
1 59 CYS 0.229 0.151 1 0 "[ . 1 . 2]"
1 60 LYS 0.390 0.090 20 0 "[ . 1 . 2]"
1 61 THR 1.600 0.217 19 0 "[ . 1 . 2]"
1 65 MET 5.893 0.301 10 0 "[ . 1 . 2]"
1 66 TRP 5.725 0.240 8 0 "[ . 1 . 2]"
1 67 THR 0.202 0.092 1 0 "[ . 1 . 2]"
1 68 GLY 0.278 0.100 1 0 "[ . 1 . 2]"
1 69 MET 0.709 0.138 19 0 "[ . 1 . 2]"
1 70 LEU 4.265 0.285 19 0 "[ . 1 . 2]"
1 71 ASN 5.407 0.347 17 0 "[ . 1 . 2]"
1 72 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 4.388 0.347 17 0 "[ . 1 . 2]"
1 74 VAL 0.765 0.139 2 0 "[ . 1 . 2]"
1 75 GLY 0.166 0.145 6 0 "[ . 1 . 2]"
1 76 ASN 0.236 0.182 16 0 "[ . 1 . 2]"
1 77 PHE 5.212 0.172 10 0 "[ . 1 . 2]"
1 78 LYS 1.134 0.241 19 0 "[ . 1 . 2]"
1 79 PHE 3.896 0.301 10 0 "[ . 1 . 2]"
1 80 ILE 3.124 0.256 15 0 "[ . 1 . 2]"
1 81 TYR 6.645 0.315 6 0 "[ . 1 . 2]"
1 82 VAL 1.871 0.172 10 0 "[ . 1 . 2]"
1 83 ASP 0.309 0.149 6 0 "[ . 1 . 2]"
1 84 VAL 4.416 0.258 16 0 "[ . 1 . 2]"
1 85 ILE 7.667 0.446 19 0 "[ . 1 . 2]"
1 86 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 0.000 0.000 . 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 26 PRO HA 1 27 PHE H 5.300 . 5.300 2.262 2.224 2.319 . 0 0 "[ . 1 . 2]" 1
2 1 26 PRO QB 1 27 PHE H 5.000 . 5.000 2.998 2.810 3.130 . 0 0 "[ . 1 . 2]" 1
3 1 26 PRO QG 1 27 PHE H 5.500 . 5.500 4.539 4.378 4.655 . 0 0 "[ . 1 . 2]" 1
4 1 27 PHE H 1 27 PHE QD 5.500 . 5.500 3.279 2.659 4.413 . 0 0 "[ . 1 . 2]" 1
5 1 27 PHE H 1 57 ILE MD 5.300 . 5.300 5.304 4.921 5.420 0.120 12 0 "[ . 1 . 2]" 1
6 1 27 PHE H 1 60 LYS QD 5.400 . 5.400 3.886 2.020 5.430 0.030 10 0 "[ . 1 . 2]" 1
7 1 27 PHE HA 1 28 CYS H 4.200 . 4.200 2.238 2.158 2.322 . 0 0 "[ . 1 . 2]" 1
8 1 27 PHE QB 1 28 CYS H 4.700 . 4.700 3.024 2.639 3.766 . 0 0 "[ . 1 . 2]" 1
9 1 27 PHE QB 1 29 GLY H 5.500 . 5.500 5.443 5.139 5.596 0.096 12 0 "[ . 1 . 2]" 1
10 1 27 PHE QD 1 28 CYS H 5.000 . 5.000 3.664 3.201 4.042 . 0 0 "[ . 1 . 2]" 1
11 1 28 CYS H 1 29 GLY H . . 4.400 4.486 4.443 4.606 0.206 10 0 "[ . 1 . 2]" 1
12 1 28 CYS H 1 57 ILE MD 5.500 . 5.500 5.154 4.603 5.641 0.141 3 0 "[ . 1 . 2]" 1
13 1 28 CYS H 1 57 ILE MG 5.300 . 5.300 5.074 4.649 5.371 0.071 1 0 "[ . 1 . 2]" 1
14 1 28 CYS QB 1 57 ILE HB 4.000 . 4.000 3.833 2.792 4.127 0.127 6 0 "[ . 1 . 2]" 1
15 1 28 CYS QB 1 57 ILE MG 4.700 . 4.700 3.682 2.618 4.242 . 0 0 "[ . 1 . 2]" 1
16 1 29 GLY H 1 57 ILE HB 5.200 . 5.200 2.039 1.890 2.613 . 0 0 "[ . 1 . 2]" 1
17 1 29 GLY H 1 57 ILE MD 5.500 . 5.500 2.415 1.903 2.992 . 0 0 "[ . 1 . 2]" 1
18 1 29 GLY QA 1 30 ARG H . . 4.400 2.170 2.113 2.259 . 0 0 "[ . 1 . 2]" 1
19 1 29 GLY QA 1 57 ILE HB 5.500 . 5.500 3.938 3.766 4.273 . 0 0 "[ . 1 . 2]" 1
20 1 29 GLY QA 1 57 ILE MD 5.500 . 5.500 3.039 2.650 3.755 . 0 0 "[ . 1 . 2]" 1
21 1 30 ARG H 1 31 ALA H . . 4.900 4.481 4.400 4.516 . 0 0 "[ . 1 . 2]" 1
22 1 30 ARG H 1 57 ILE MD 4.800 . 4.800 3.468 3.135 4.004 . 0 0 "[ . 1 . 2]" 1
23 1 30 ARG H 1 84 VAL MG2 5.200 . 5.200 4.702 3.853 5.458 0.258 16 0 "[ . 1 . 2]" 1
24 1 30 ARG H 1 85 ILE MD 5.500 . 5.500 4.768 4.051 5.600 0.100 9 0 "[ . 1 . 2]" 1
25 1 30 ARG HA 1 31 ALA H 3.700 . 3.700 2.234 2.178 2.311 . 0 0 "[ . 1 . 2]" 1
26 1 30 ARG HA 1 54 ILE MG . . 5.400 3.691 3.275 4.155 . 0 0 "[ . 1 . 2]" 1
27 1 30 ARG HA 1 57 ILE H 5.500 . 5.500 2.923 2.367 3.171 . 0 0 "[ . 1 . 2]" 1
28 1 30 ARG HA 1 57 ILE MD 4.900 . 4.900 3.664 3.152 4.204 . 0 0 "[ . 1 . 2]" 1
29 1 30 ARG QB 1 31 ALA H 3.800 . 3.800 2.953 2.686 3.662 . 0 0 "[ . 1 . 2]" 1
30 1 30 ARG QB 1 54 ILE MG 3.600 . 3.600 2.429 2.012 3.581 . 0 0 "[ . 1 . 2]" 1
31 1 30 ARG QB 1 85 ILE HB 5.000 . 5.000 4.541 3.163 5.084 0.084 10 0 "[ . 1 . 2]" 1
32 1 30 ARG QB 1 85 ILE MD 4.100 . 4.100 2.825 1.984 3.904 . 0 0 "[ . 1 . 2]" 1
33 1 30 ARG QD 1 54 ILE MG 4.600 . 4.600 2.968 1.968 4.412 . 0 0 "[ . 1 . 2]" 1
34 1 30 ARG QD 1 56 ASP QB 4.200 . 4.200 3.887 2.928 4.350 0.150 10 0 "[ . 1 . 2]" 1
35 1 31 ALA H 1 54 ILE MD 5.500 . 5.500 4.828 4.186 5.488 . 0 0 "[ . 1 . 2]" 1
36 1 31 ALA H 1 54 ILE MG 4.200 . 4.200 3.059 2.713 3.646 . 0 0 "[ . 1 . 2]" 1
37 1 31 ALA H 1 55 ILE H 4.100 . 4.100 3.055 2.779 3.699 . 0 0 "[ . 1 . 2]" 1
38 1 31 ALA H 1 55 ILE HB 5.400 . 5.400 3.877 3.371 4.381 . 0 0 "[ . 1 . 2]" 1
39 1 31 ALA H 1 57 ILE MD 5.200 . 5.200 3.956 3.177 4.683 . 0 0 "[ . 1 . 2]" 1
40 1 31 ALA HA 1 32 ARG H 3.700 . 3.700 2.174 2.128 2.304 . 0 0 "[ . 1 . 2]" 1
41 1 31 ALA HA 1 84 VAL HA 4.700 . 4.700 2.529 2.073 2.889 . 0 0 "[ . 1 . 2]" 1
42 1 31 ALA HA 1 85 ILE H . . 4.400 3.004 2.387 3.874 . 0 0 "[ . 1 . 2]" 1
43 1 31 ALA HA 1 85 ILE MD 5.500 . 5.500 4.469 3.047 5.280 . 0 0 "[ . 1 . 2]" 1
44 1 31 ALA HA 1 85 ILE QG 5.500 . 5.500 3.428 2.062 5.256 . 0 0 "[ . 1 . 2]" 1
45 1 31 ALA MB 1 32 ARG H 3.800 . 3.800 3.110 2.674 3.361 . 0 0 "[ . 1 . 2]" 1
46 1 31 ALA MB 1 55 ILE HB 3.500 . 3.500 2.466 2.038 3.167 . 0 0 "[ . 1 . 2]" 1
47 1 31 ALA MB 1 55 ILE MD 4.700 . 4.700 3.383 2.675 4.099 . 0 0 "[ . 1 . 2]" 1
48 1 31 ALA MB 1 57 ILE MD 3.800 . 3.800 2.679 2.254 3.407 . 0 0 "[ . 1 . 2]" 1
49 1 31 ALA MB 1 66 TRP HE3 5.500 . 5.500 3.214 2.706 3.662 . 0 0 "[ . 1 . 2]" 1
50 1 31 ALA MB 1 77 PHE QD 5.500 . 5.500 4.946 4.517 5.392 . 0 0 "[ . 1 . 2]" 1
51 1 31 ALA MB 1 82 VAL HA 5.500 . 5.500 4.531 4.234 4.764 . 0 0 "[ . 1 . 2]" 1
52 1 31 ALA MB 1 82 VAL HB . . 4.300 4.012 3.645 4.364 0.064 19 0 "[ . 1 . 2]" 1
53 1 31 ALA MB 1 82 VAL MG1 4.100 . 4.100 2.283 1.759 3.261 0.041 9 0 "[ . 1 . 2]" 1
54 1 31 ALA MB 1 82 VAL MG2 . . 4.100 2.371 1.798 3.931 0.002 13 0 "[ . 1 . 2]" 1
55 1 31 ALA MB 1 83 ASP H . . 4.400 3.678 3.248 4.332 . 0 0 "[ . 1 . 2]" 1
56 1 32 ARG H 1 32 ARG QD 5.500 . 5.500 4.186 3.388 4.708 . 0 0 "[ . 1 . 2]" 1
57 1 32 ARG H 1 33 VAL H 4.900 . 4.900 4.418 4.370 4.525 . 0 0 "[ . 1 . 2]" 1
58 1 32 ARG H 1 54 ILE MG 4.700 . 4.700 4.646 4.204 4.818 0.118 4 0 "[ . 1 . 2]" 1
59 1 32 ARG H 1 82 VAL MG1 5.500 . 5.500 4.128 2.914 5.583 0.083 19 0 "[ . 1 . 2]" 1
60 1 32 ARG H 1 83 ASP H 4.300 . 4.300 3.130 2.580 3.934 . 0 0 "[ . 1 . 2]" 1
61 1 32 ARG H 1 83 ASP QB 5.300 . 5.300 3.607 3.169 4.690 . 0 0 "[ . 1 . 2]" 1
62 1 32 ARG H 1 84 VAL HA . . 5.200 3.676 3.334 4.262 . 0 0 "[ . 1 . 2]" 1
63 1 32 ARG H 1 85 ILE H 4.800 . 4.800 3.980 3.342 4.717 . 0 0 "[ . 1 . 2]" 1
64 1 32 ARG H 1 85 ILE MD 5.200 . 5.200 3.961 2.680 4.630 . 0 0 "[ . 1 . 2]" 1
65 1 32 ARG H 1 85 ILE QG 4.100 . 4.100 3.401 1.836 4.254 0.154 5 0 "[ . 1 . 2]" 1
66 1 32 ARG H 1 85 ILE MG 4.000 . 4.000 3.448 2.532 4.446 0.446 19 0 "[ . 1 . 2]" 1
67 1 32 ARG HA 1 33 VAL H 4.100 . 4.100 2.161 2.145 2.249 . 0 0 "[ . 1 . 2]" 1
68 1 32 ARG HA 1 54 ILE HA 5.300 . 5.300 2.740 2.249 3.026 . 0 0 "[ . 1 . 2]" 1
69 1 32 ARG HA 1 54 ILE QG 5.300 . 5.300 3.882 2.512 4.594 . 0 0 "[ . 1 . 2]" 1
70 1 32 ARG HA 1 54 ILE MG 4.300 . 4.300 3.529 3.107 3.819 . 0 0 "[ . 1 . 2]" 1
71 1 32 ARG HA 1 55 ILE H 5.500 . 5.500 3.725 3.277 4.013 . 0 0 "[ . 1 . 2]" 1
72 1 32 ARG HA 1 85 ILE MD 4.800 . 4.800 4.259 2.716 4.935 0.135 18 0 "[ . 1 . 2]" 1
73 1 32 ARG QB 1 83 ASP QB 5.500 . 5.500 3.449 2.598 5.647 0.147 20 0 "[ . 1 . 2]" 1
74 1 32 ARG QB 1 85 ILE MD . . 3.700 2.632 1.985 3.840 0.140 10 0 "[ . 1 . 2]" 1
75 1 32 ARG QD 1 33 VAL H 5.500 . 5.500 5.088 4.539 5.606 0.106 5 0 "[ . 1 . 2]" 1
76 1 32 ARG QD 1 85 ILE MD 4.400 . 4.400 2.299 1.863 4.017 . 0 0 "[ . 1 . 2]" 1
77 1 32 ARG QD 1 85 ILE QG 3.600 . 3.600 3.691 2.762 3.868 0.268 10 0 "[ . 1 . 2]" 1
78 1 32 ARG QG 1 33 VAL H 4.900 . 4.900 3.349 2.711 4.257 . 0 0 "[ . 1 . 2]" 1
79 1 33 VAL H 1 33 VAL HB 3.800 . 3.800 2.445 2.373 2.500 . 0 0 "[ . 1 . 2]" 1
80 1 33 VAL H 1 33 VAL MG2 3.500 . 3.500 2.242 2.125 2.371 . 0 0 "[ . 1 . 2]" 1
81 1 33 VAL H 1 34 HIS H 5.500 . 5.500 4.521 4.471 4.567 . 0 0 "[ . 1 . 2]" 1
82 1 33 VAL H 1 52 GLY H 4.800 . 4.800 3.706 3.282 4.084 . 0 0 "[ . 1 . 2]" 1
83 1 33 VAL H 1 52 GLY QA 5.500 . 5.500 4.601 4.157 5.083 . 0 0 "[ . 1 . 2]" 1
84 1 33 VAL H 1 53 ASP H . . 4.900 4.023 3.580 4.382 . 0 0 "[ . 1 . 2]" 1
85 1 33 VAL H 1 53 ASP QB 5.400 . 5.400 4.159 3.947 4.478 . 0 0 "[ . 1 . 2]" 1
86 1 33 VAL H 1 55 ILE H 5.500 . 5.500 4.505 4.096 4.893 . 0 0 "[ . 1 . 2]" 1
87 1 33 VAL H 1 55 ILE MD 5.500 . 5.500 4.628 3.729 5.156 . 0 0 "[ . 1 . 2]" 1
88 1 33 VAL H 1 82 VAL MG2 5.500 . 5.500 3.628 3.141 4.923 . 0 0 "[ . 1 . 2]" 1
89 1 33 VAL HA 1 34 HIS H 3.700 . 3.700 2.150 2.132 2.183 . 0 0 "[ . 1 . 2]" 1
90 1 33 VAL HA 1 35 THR H 5.500 . 5.500 3.544 3.447 3.687 . 0 0 "[ . 1 . 2]" 1
91 1 33 VAL HA 1 82 VAL HA 4.700 . 4.700 2.297 2.096 2.621 . 0 0 "[ . 1 . 2]" 1
92 1 33 VAL HA 1 82 VAL HB 5.300 . 5.300 4.171 3.757 5.233 . 0 0 "[ . 1 . 2]" 1
93 1 33 VAL HA 1 82 VAL MG2 . . 4.000 2.311 2.002 3.257 . 0 0 "[ . 1 . 2]" 1
94 1 33 VAL HA 1 83 ASP H 5.200 . 5.200 3.420 2.838 3.909 . 0 0 "[ . 1 . 2]" 1
95 1 33 VAL HB 1 52 GLY H 5.000 . 5.000 2.842 2.286 3.313 . 0 0 "[ . 1 . 2]" 1
96 1 33 VAL MG1 1 34 HIS H 3.700 . 3.700 2.652 2.478 2.866 . 0 0 "[ . 1 . 2]" 1
97 1 33 VAL MG1 1 34 HIS HA 5.300 . 5.300 3.715 3.609 3.823 . 0 0 "[ . 1 . 2]" 1
98 1 33 VAL MG1 1 35 THR H 3.600 . 3.600 2.226 1.859 2.458 . 0 0 "[ . 1 . 2]" 1
99 1 33 VAL MG1 1 35 THR HA 5.500 . 5.500 3.990 3.684 4.209 . 0 0 "[ . 1 . 2]" 1
100 1 33 VAL MG1 1 36 ASP H 5.300 . 5.300 4.419 4.100 4.656 . 0 0 "[ . 1 . 2]" 1
101 1 33 VAL MG1 1 49 ILE HB 4.700 . 4.700 2.977 2.323 3.561 . 0 0 "[ . 1 . 2]" 1
102 1 33 VAL MG1 1 49 ILE QG . . 4.000 2.573 1.975 2.946 . 0 0 "[ . 1 . 2]" 1
103 1 33 VAL MG1 1 50 LYS H 4.100 . 4.100 3.422 2.951 3.860 . 0 0 "[ . 1 . 2]" 1
104 1 33 VAL MG1 1 51 LYS H 4.600 . 4.600 3.358 2.949 3.701 . 0 0 "[ . 1 . 2]" 1
105 1 33 VAL MG1 1 51 LYS HA . . 4.300 2.103 2.020 2.330 . 0 0 "[ . 1 . 2]" 1
106 1 33 VAL MG1 1 52 GLY H 4.300 . 4.300 3.450 3.159 3.768 . 0 0 "[ . 1 . 2]" 1
107 1 33 VAL MG1 1 52 GLY QA 5.500 . 5.500 4.972 4.745 5.203 . 0 0 "[ . 1 . 2]" 1
108 1 33 VAL MG1 1 53 ASP QB . . 4.400 3.787 3.312 4.246 . 0 0 "[ . 1 . 2]" 1
109 1 33 VAL MG1 1 55 ILE MD 5.500 . 5.500 4.016 3.654 4.662 . 0 0 "[ . 1 . 2]" 1
110 1 33 VAL MG1 1 81 TYR QB 4.600 . 4.600 3.327 3.061 3.863 . 0 0 "[ . 1 . 2]" 1
111 1 33 VAL MG2 1 37 PHE QB 4.900 . 4.900 4.753 4.286 4.996 0.096 19 0 "[ . 1 . 2]" 1
112 1 33 VAL MG2 1 49 ILE HB . . 3.800 2.091 1.923 2.381 . 0 0 "[ . 1 . 2]" 1
113 1 33 VAL MG2 1 49 ILE QG 4.400 . 4.400 3.248 2.764 3.549 . 0 0 "[ . 1 . 2]" 1
114 1 33 VAL MG2 1 50 LYS H 4.100 . 4.100 3.345 2.893 3.804 . 0 0 "[ . 1 . 2]" 1
115 1 33 VAL MG2 1 52 GLY H 4.800 . 4.800 4.407 3.921 4.787 . 0 0 "[ . 1 . 2]" 1
116 1 33 VAL MG2 1 53 ASP QB 4.100 . 4.100 2.784 2.214 3.273 . 0 0 "[ . 1 . 2]" 1
117 1 33 VAL MG2 1 55 ILE MD 3.500 . 3.500 2.243 1.810 2.822 . 0 0 "[ . 1 . 2]" 1
118 1 33 VAL MG2 1 55 ILE QG 4.300 . 4.300 2.845 2.419 3.406 . 0 0 "[ . 1 . 2]" 1
119 1 33 VAL MG2 1 81 TYR QB 4.400 . 4.400 4.438 4.230 4.648 0.248 10 0 "[ . 1 . 2]" 1
120 1 34 HIS H 1 34 HIS HD2 5.200 . 5.200 3.127 2.136 3.932 . 0 0 "[ . 1 . 2]" 1
121 1 34 HIS H 1 35 THR H 3.700 . 3.700 2.044 1.906 2.220 . 0 0 "[ . 1 . 2]" 1
122 1 34 HIS H 1 82 VAL MG2 5.000 . 5.000 3.886 3.644 4.388 . 0 0 "[ . 1 . 2]" 1
123 1 34 HIS H 1 83 ASP H 5.000 . 5.000 4.130 3.372 4.672 . 0 0 "[ . 1 . 2]" 1
124 1 34 HIS HA 1 51 LYS QD 5.000 . 5.000 4.015 3.265 4.856 . 0 0 "[ . 1 . 2]" 1
125 1 34 HIS HD2 1 82 VAL HA 5.400 . 5.400 3.890 2.661 5.420 0.020 20 0 "[ . 1 . 2]" 1
126 1 34 HIS HD2 1 83 ASP H 5.500 . 5.500 3.960 2.483 5.649 0.149 6 0 "[ . 1 . 2]" 1
127 1 35 THR H 1 36 ASP H 5.500 . 5.500 4.384 4.305 4.466 . 0 0 "[ . 1 . 2]" 1
128 1 35 THR H 1 51 LYS HA 5.500 . 5.500 3.912 3.311 4.358 . 0 0 "[ . 1 . 2]" 1
129 1 35 THR H 1 81 TYR QB 5.500 . 5.500 3.546 3.103 4.521 . 0 0 "[ . 1 . 2]" 1
130 1 35 THR HA 1 36 ASP H . . 3.700 2.268 2.154 2.508 . 0 0 "[ . 1 . 2]" 1
131 1 35 THR HB 1 36 ASP H 5.500 . 5.500 3.639 2.371 4.247 . 0 0 "[ . 1 . 2]" 1
132 1 35 THR HB 1 81 TYR HA 4.600 . 4.600 3.343 2.051 4.772 0.172 16 0 "[ . 1 . 2]" 1
133 1 35 THR HB 1 81 TYR QD . . 5.200 3.317 2.144 5.022 . 0 0 "[ . 1 . 2]" 1
134 1 35 THR MG 1 36 ASP H 3.700 . 3.700 3.170 2.172 3.886 0.186 16 0 "[ . 1 . 2]" 1
135 1 35 THR MG 1 81 TYR H 4.900 . 4.900 4.914 4.378 5.215 0.315 6 0 "[ . 1 . 2]" 1
136 1 35 THR MG 1 81 TYR HA 5.500 . 5.500 2.905 2.302 3.485 . 0 0 "[ . 1 . 2]" 1
137 1 35 THR MG 1 81 TYR QD . . 4.400 2.544 1.867 3.373 . 0 0 "[ . 1 . 2]" 1
138 1 35 THR MG 1 81 TYR QE . . 4.200 3.373 2.638 4.110 . 0 0 "[ . 1 . 2]" 1
139 1 36 ASP H 1 51 LYS H 5.000 . 5.000 4.521 3.746 5.065 0.065 12 0 "[ . 1 . 2]" 1
140 1 36 ASP H 1 51 LYS QD 5.500 . 5.500 4.446 3.060 5.502 0.002 18 0 "[ . 1 . 2]" 1
141 1 36 ASP HA 1 37 PHE H 4.000 . 4.000 2.166 2.138 2.245 . 0 0 "[ . 1 . 2]" 1
142 1 36 ASP HA 1 50 LYS HA 4.600 . 4.600 2.716 2.065 3.793 . 0 0 "[ . 1 . 2]" 1
143 1 36 ASP HA 1 51 LYS H . . 4.700 3.058 2.337 3.703 . 0 0 "[ . 1 . 2]" 1
144 1 36 ASP QB 1 37 PHE H 4.300 . 4.300 3.637 2.858 3.970 . 0 0 "[ . 1 . 2]" 1
145 1 36 ASP QB 1 51 LYS H 5.500 . 5.500 3.397 2.694 4.519 . 0 0 "[ . 1 . 2]" 1
146 1 37 PHE H 1 37 PHE QD 5.500 . 5.500 4.251 4.089 4.322 . 0 0 "[ . 1 . 2]" 1
147 1 37 PHE H 1 38 THR H 5.500 . 5.500 4.344 4.148 4.626 . 0 0 "[ . 1 . 2]" 1
148 1 37 PHE H 1 49 ILE H 4.400 . 4.400 3.927 3.304 4.394 . 0 0 "[ . 1 . 2]" 1
149 1 37 PHE H 1 49 ILE MD 5.500 . 5.500 3.598 2.861 4.337 . 0 0 "[ . 1 . 2]" 1
150 1 37 PHE H 1 49 ILE QG 4.000 . 4.000 2.415 1.899 2.922 . 0 0 "[ . 1 . 2]" 1
151 1 37 PHE H 1 49 ILE MG 5.400 . 5.400 4.946 4.200 5.380 . 0 0 "[ . 1 . 2]" 1
152 1 37 PHE H 1 50 LYS HA 4.900 . 4.900 3.480 2.744 4.573 . 0 0 "[ . 1 . 2]" 1
153 1 37 PHE H 1 51 LYS H 5.200 . 5.200 4.802 4.038 5.358 0.158 7 0 "[ . 1 . 2]" 1
154 1 37 PHE HA 1 37 PHE QD 4.400 . 4.400 2.265 1.934 3.068 . 0 0 "[ . 1 . 2]" 1
155 1 37 PHE HA 1 38 THR H 4.100 . 4.100 2.167 2.124 2.223 . 0 0 "[ . 1 . 2]" 1
156 1 37 PHE QB 1 38 THR H 5.000 . 5.000 3.793 3.623 3.943 . 0 0 "[ . 1 . 2]" 1
157 1 37 PHE QB 1 49 ILE H 5.500 . 5.500 3.528 2.488 4.165 . 0 0 "[ . 1 . 2]" 1
158 1 37 PHE QB 1 49 ILE QG . . 4.800 2.003 1.861 2.179 . 0 0 "[ . 1 . 2]" 1
159 1 37 PHE QB 1 81 TYR QE 5.500 . 5.500 4.069 3.496 5.403 . 0 0 "[ . 1 . 2]" 1
160 1 37 PHE QD 1 38 THR H 4.800 . 4.800 2.595 2.133 3.316 . 0 0 "[ . 1 . 2]" 1
161 1 37 PHE QD 1 49 ILE QG 5.500 . 5.500 2.857 2.115 3.638 . 0 0 "[ . 1 . 2]" 1
162 1 37 PHE QD 1 49 ILE MG 5.500 . 5.500 3.700 2.925 4.422 . 0 0 "[ . 1 . 2]" 1
163 1 37 PHE QD 1 65 MET ME 4.800 . 4.800 4.863 4.534 4.992 0.192 18 0 "[ . 1 . 2]" 1
164 1 37 PHE QD 1 77 PHE QD 4.700 . 4.700 4.756 4.415 4.859 0.159 5 0 "[ . 1 . 2]" 1
165 1 37 PHE QE 1 49 ILE MG 5.400 . 5.400 4.940 4.098 5.589 0.189 4 0 "[ . 1 . 2]" 1
166 1 37 PHE QE 1 77 PHE H 5.300 . 5.300 5.336 5.033 5.459 0.159 20 0 "[ . 1 . 2]" 1
167 1 37 PHE QE 1 77 PHE QB . . 4.600 3.430 2.784 3.720 . 0 0 "[ . 1 . 2]" 1
168 1 37 PHE QE 1 78 LYS H 5.500 . 5.500 2.709 1.762 3.603 0.038 5 0 "[ . 1 . 2]" 1
169 1 38 THR H 1 38 THR HB 4.100 . 4.100 3.175 2.609 3.811 . 0 0 "[ . 1 . 2]" 1
170 1 39 PRO HA 1 40 SER H 4.600 . 4.600 2.325 2.261 2.406 . 0 0 "[ . 1 . 2]" 1
171 1 39 PRO QB 1 46 SER H 5.500 . 5.500 4.096 3.614 4.855 . 0 0 "[ . 1 . 2]" 1
172 1 39 PRO QB 1 46 SER QB 5.300 . 5.300 2.240 1.908 4.223 . 0 0 "[ . 1 . 2]" 1
173 1 39 PRO QG 1 40 SER H . . 5.300 4.364 4.200 4.593 . 0 0 "[ . 1 . 2]" 1
174 1 39 PRO QG 1 43 ASP QB 5.000 . 5.000 4.032 3.373 4.962 . 0 0 "[ . 1 . 2]" 1
175 1 39 PRO QG 1 46 SER H 5.500 . 5.500 4.867 3.915 5.591 0.091 4 0 "[ . 1 . 2]" 1
176 1 39 PRO QG 1 46 SER QB 5.500 . 5.500 3.127 2.008 3.926 . 0 0 "[ . 1 . 2]" 1
177 1 40 SER H 1 43 ASP QB 5.500 . 5.500 2.581 1.901 4.104 . 0 0 "[ . 1 . 2]" 1
178 1 40 SER HA 1 42 TYR QE 5.500 . 5.500 5.140 4.764 5.631 0.131 2 0 "[ . 1 . 2]" 1
179 1 40 SER QB 1 42 TYR H 5.500 . 5.500 2.809 2.435 3.511 . 0 0 "[ . 1 . 2]" 1
180 1 40 SER QB 1 42 TYR QE 5.500 . 5.500 2.865 2.102 3.625 . 0 0 "[ . 1 . 2]" 1
181 1 40 SER QB 1 43 ASP H 5.500 . 5.500 3.367 2.471 4.062 . 0 0 "[ . 1 . 2]" 1
182 1 40 SER QB 1 43 ASP QB 5.500 . 5.500 2.973 1.915 4.969 . 0 0 "[ . 1 . 2]" 1
183 1 41 PRO HA 1 42 TYR H 5.500 . 5.500 3.534 3.469 3.584 . 0 0 "[ . 1 . 2]" 1
184 1 41 PRO HA 1 43 ASP H 5.500 . 5.500 3.808 3.656 4.235 . 0 0 "[ . 1 . 2]" 1
185 1 41 PRO QG 1 43 ASP H . . 5.300 5.180 4.477 5.521 0.221 11 0 "[ . 1 . 2]" 1
186 1 42 TYR H 1 43 ASP H . . 5.000 2.552 2.378 2.716 . 0 0 "[ . 1 . 2]" 1
187 1 42 TYR HA 1 42 TYR QD 4.400 . 4.400 3.483 2.820 3.712 . 0 0 "[ . 1 . 2]" 1
188 1 42 TYR HA 1 43 ASP H 5.500 . 5.500 3.278 3.030 3.468 . 0 0 "[ . 1 . 2]" 1
189 1 42 TYR HA 1 44 THR MG 5.300 . 5.300 4.539 3.571 5.392 0.092 16 0 "[ . 1 . 2]" 1
190 1 42 TYR QB 1 43 ASP H 5.500 . 5.500 3.661 2.893 4.010 . 0 0 "[ . 1 . 2]" 1
191 1 43 ASP H 1 43 ASP QB 3.800 . 3.800 2.362 2.199 2.502 . 0 0 "[ . 1 . 2]" 1
192 1 43 ASP H 1 44 THR MG 5.400 . 5.400 4.628 3.769 5.360 . 0 0 "[ . 1 . 2]" 1
193 1 43 ASP HA 1 44 THR H 5.500 . 5.500 2.199 2.145 2.572 . 0 0 "[ . 1 . 2]" 1
194 1 43 ASP QB 1 44 THR H 5.500 . 5.500 3.735 2.892 3.971 . 0 0 "[ . 1 . 2]" 1
195 1 44 THR H 1 45 ASP H 5.300 . 5.300 2.108 1.906 2.663 . 0 0 "[ . 1 . 2]" 1
196 1 44 THR MG 1 45 ASP H 3.800 . 3.800 3.244 2.026 3.989 0.189 13 0 "[ . 1 . 2]" 1
197 1 45 ASP QB 1 46 SER H 4.600 . 4.600 3.098 2.588 3.969 . 0 0 "[ . 1 . 2]" 1
198 1 46 SER H 1 47 LEU H 5.500 . 5.500 4.536 4.091 4.650 . 0 0 "[ . 1 . 2]" 1
199 1 46 SER QB 1 47 LEU H 5.300 . 5.300 3.241 2.556 3.997 . 0 0 "[ . 1 . 2]" 1
200 1 47 LEU H 1 47 LEU QB 3.500 . 3.500 2.299 2.226 2.388 . 0 0 "[ . 1 . 2]" 1
201 1 47 LEU H 1 47 LEU MD1 4.900 . 4.900 4.094 3.615 4.223 . 0 0 "[ . 1 . 2]" 1
202 1 47 LEU H 1 47 LEU MD2 4.200 . 4.200 4.290 3.533 4.420 0.220 11 0 "[ . 1 . 2]" 1
203 1 47 LEU H 1 48 LYS H 5.300 . 5.300 4.565 4.424 4.615 . 0 0 "[ . 1 . 2]" 1
204 1 47 LEU H 1 76 ASN H . . 4.300 3.442 2.868 4.336 0.036 12 0 "[ . 1 . 2]" 1
205 1 47 LEU H 1 77 PHE QB 5.200 . 5.200 4.137 3.132 5.199 . 0 0 "[ . 1 . 2]" 1
206 1 47 LEU HA 1 47 LEU MD1 4.400 . 4.400 2.141 1.983 3.233 . 0 0 "[ . 1 . 2]" 1
207 1 47 LEU HA 1 48 LYS H 4.100 . 4.100 2.242 2.169 2.394 . 0 0 "[ . 1 . 2]" 1
208 1 47 LEU QB 1 49 ILE MG 4.200 . 4.200 3.187 2.728 3.641 . 0 0 "[ . 1 . 2]" 1
209 1 47 LEU QB 1 75 GLY H . . 4.800 3.780 3.026 4.266 . 0 0 "[ . 1 . 2]" 1
210 1 47 LEU QB 1 75 GLY QA 4.900 . 4.900 2.141 2.044 2.721 . 0 0 "[ . 1 . 2]" 1
211 1 47 LEU QB 1 76 ASN H 4.800 . 4.800 3.009 2.739 3.364 . 0 0 "[ . 1 . 2]" 1
212 1 47 LEU MD1 1 48 LYS H 4.400 . 4.400 2.313 1.804 3.883 . 0 0 "[ . 1 . 2]" 1
213 1 47 LEU MD1 1 55 ILE MD 5.500 . 5.500 4.771 3.526 5.575 0.075 15 0 "[ . 1 . 2]" 1
214 1 47 LEU MD1 1 69 MET HA 4.900 . 4.900 4.543 3.718 5.036 0.136 3 0 "[ . 1 . 2]" 1
215 1 47 LEU MD1 1 70 LEU QB 4.000 . 4.000 2.690 1.902 3.952 . 0 0 "[ . 1 . 2]" 1
216 1 47 LEU MD1 1 73 LYS H 5.500 . 5.500 4.794 4.415 5.097 . 0 0 "[ . 1 . 2]" 1
217 1 47 LEU MD1 1 73 LYS QB 3.700 . 3.700 2.750 2.060 3.303 . 0 0 "[ . 1 . 2]" 1
218 1 47 LEU MD1 1 73 LYS QG 4.000 . 4.000 2.591 2.091 3.463 . 0 0 "[ . 1 . 2]" 1
219 1 47 LEU MD1 1 75 GLY H 4.600 . 4.600 3.438 2.398 4.745 0.145 6 0 "[ . 1 . 2]" 1
220 1 47 LEU MD1 1 75 GLY QA . . 4.600 2.606 2.007 4.403 . 0 0 "[ . 1 . 2]" 1
221 1 47 LEU MD1 1 77 PHE QD 5.500 . 5.500 4.623 3.734 5.449 . 0 0 "[ . 1 . 2]" 1
222 1 47 LEU MD2 1 48 LYS H 4.800 . 4.800 3.827 2.399 4.303 . 0 0 "[ . 1 . 2]" 1
223 1 47 LEU MD2 1 55 ILE MD 4.700 . 4.700 3.009 2.268 4.929 0.229 6 0 "[ . 1 . 2]" 1
224 1 47 LEU MD2 1 55 ILE MG 4.300 . 4.300 3.211 2.603 4.348 0.048 6 0 "[ . 1 . 2]" 1
225 1 47 LEU MD2 1 70 LEU QB 4.100 . 4.100 2.281 1.905 3.332 . 0 0 "[ . 1 . 2]" 1
226 1 47 LEU MD2 1 73 LYS QG 4.800 . 4.800 4.217 1.973 4.813 0.013 7 0 "[ . 1 . 2]" 1
227 1 47 LEU MD2 1 75 GLY H 5.000 . 5.000 2.907 2.318 4.536 . 0 0 "[ . 1 . 2]" 1
228 1 47 LEU MD2 1 75 GLY QA 5.000 . 5.000 3.069 1.983 4.141 . 0 0 "[ . 1 . 2]" 1
229 1 47 LEU MD2 1 76 ASN H 5.200 . 5.200 4.385 3.621 5.382 0.182 16 0 "[ . 1 . 2]" 1
230 1 47 LEU MD2 1 77 PHE QD 4.700 . 4.700 2.621 1.940 4.363 . 0 0 "[ . 1 . 2]" 1
231 1 48 LYS H 1 48 LYS QD 4.000 . 4.000 3.821 2.671 4.476 0.476 19 0 "[ . 1 . 2]" 1
232 1 48 LYS HA 1 49 ILE H 4.200 . 4.200 2.176 2.147 2.253 . 0 0 "[ . 1 . 2]" 1
233 1 49 ILE H 1 49 ILE MG 4.800 . 4.800 2.781 2.684 2.904 . 0 0 "[ . 1 . 2]" 1
234 1 49 ILE H 1 50 LYS H 4.900 . 4.900 4.426 4.374 4.470 . 0 0 "[ . 1 . 2]" 1
235 1 49 ILE H 1 70 LEU MD1 4.800 . 4.800 4.720 4.535 4.855 0.055 20 0 "[ . 1 . 2]" 1
236 1 49 ILE HA 1 50 LYS H . . 3.800 2.314 2.251 2.456 . 0 0 "[ . 1 . 2]" 1
237 1 49 ILE HA 1 70 LEU MD2 4.400 . 4.400 4.340 3.969 4.541 0.141 16 0 "[ . 1 . 2]" 1
238 1 49 ILE HB 1 50 LYS H 4.300 . 4.300 2.737 2.420 2.987 . 0 0 "[ . 1 . 2]" 1
239 1 49 ILE MD 1 55 ILE MD 5.300 . 5.300 2.696 1.951 3.354 . 0 0 "[ . 1 . 2]" 1
240 1 49 ILE MG 1 50 LYS H 5.000 . 5.000 3.907 3.765 4.134 . 0 0 "[ . 1 . 2]" 1
241 1 49 ILE MG 1 55 ILE MD 3.500 . 3.500 1.924 1.775 2.153 0.025 6 0 "[ . 1 . 2]" 1
242 1 49 ILE MG 1 55 ILE QG 4.300 . 4.300 3.197 2.465 3.554 . 0 0 "[ . 1 . 2]" 1
243 1 49 ILE MG 1 77 PHE QB 4.900 . 4.900 2.745 2.540 3.083 . 0 0 "[ . 1 . 2]" 1
244 1 49 ILE MG 1 77 PHE QD 5.400 . 5.400 3.595 3.190 3.853 . 0 0 "[ . 1 . 2]" 1
245 1 50 LYS H 1 53 ASP QB 4.700 . 4.700 2.502 2.127 2.880 . 0 0 "[ . 1 . 2]" 1
246 1 50 LYS HA 1 51 LYS H . . 3.800 2.302 2.179 2.435 . 0 0 "[ . 1 . 2]" 1
247 1 50 LYS QG 1 53 ASP H 4.800 . 4.800 4.230 2.884 5.127 0.327 17 0 "[ . 1 . 2]" 1
248 1 51 LYS H 1 51 LYS QD 5.400 . 5.400 4.286 3.666 4.713 . 0 0 "[ . 1 . 2]" 1
249 1 51 LYS H 1 52 GLY H 4.800 . 4.800 4.553 4.488 4.600 . 0 0 "[ . 1 . 2]" 1
250 1 51 LYS HA 1 52 GLY H 3.400 . 3.400 2.154 2.131 2.185 . 0 0 "[ . 1 . 2]" 1
251 1 51 LYS QB 1 52 GLY H 4.700 . 4.700 3.544 2.988 3.833 . 0 0 "[ . 1 . 2]" 1
252 1 51 LYS QD 1 52 GLY H 5.500 . 5.500 4.835 4.526 5.336 . 0 0 "[ . 1 . 2]" 1
253 1 51 LYS QG 1 52 GLY H 5.500 . 5.500 3.078 2.589 4.222 . 0 0 "[ . 1 . 2]" 1
254 1 52 GLY H 1 53 ASP H 4.000 . 4.000 2.603 2.502 2.748 . 0 0 "[ . 1 . 2]" 1
255 1 52 GLY QA 1 53 ASP H 4.200 . 4.200 2.885 2.815 2.920 . 0 0 "[ . 1 . 2]" 1
256 1 53 ASP H 1 53 ASP QB 3.800 . 3.800 2.294 2.214 2.379 . 0 0 "[ . 1 . 2]" 1
257 1 53 ASP HA 1 54 ILE H . . 3.600 2.277 2.216 2.347 . 0 0 "[ . 1 . 2]" 1
258 1 53 ASP HA 1 54 ILE HB 5.000 . 5.000 4.621 4.481 4.700 . 0 0 "[ . 1 . 2]" 1
259 1 53 ASP HA 1 54 ILE QG 5.500 . 5.500 3.419 3.321 3.676 . 0 0 "[ . 1 . 2]" 1
260 1 53 ASP QB 1 54 ILE H 4.300 . 4.300 2.987 2.565 3.535 . 0 0 "[ . 1 . 2]" 1
261 1 53 ASP QB 1 70 LEU MD2 . . 4.200 3.301 2.063 4.152 . 0 0 "[ . 1 . 2]" 1
262 1 54 ILE H 1 54 ILE HB 3.700 . 3.700 2.601 2.509 2.645 . 0 0 "[ . 1 . 2]" 1
263 1 54 ILE H 1 54 ILE QG 4.200 . 4.200 2.630 2.475 2.860 . 0 0 "[ . 1 . 2]" 1
264 1 54 ILE H 1 54 ILE MG 4.000 . 4.000 3.836 3.780 3.856 . 0 0 "[ . 1 . 2]" 1
265 1 54 ILE H 1 55 ILE H 5.500 . 5.500 4.394 4.368 4.412 . 0 0 "[ . 1 . 2]" 1
266 1 54 ILE H 1 70 LEU MD2 4.700 . 4.700 4.126 3.313 4.724 0.024 5 0 "[ . 1 . 2]" 1
267 1 54 ILE HA 1 55 ILE H . . 4.100 2.146 2.130 2.167 . 0 0 "[ . 1 . 2]" 1
268 1 54 ILE HB 1 55 ILE H 4.300 . 4.300 4.158 4.097 4.252 . 0 0 "[ . 1 . 2]" 1
269 1 54 ILE MD 1 54 ILE MG 3.700 . 3.700 1.928 1.829 2.022 . 0 0 "[ . 1 . 2]" 1
270 1 54 ILE MD 1 85 ILE MG 4.400 . 4.400 4.522 4.151 4.683 0.283 20 0 "[ . 1 . 2]" 1
271 1 54 ILE MG 1 55 ILE H 3.800 . 3.800 2.614 2.500 2.699 . 0 0 "[ . 1 . 2]" 1
272 1 55 ILE H 1 55 ILE MD . . 5.300 3.684 2.338 3.884 . 0 0 "[ . 1 . 2]" 1
273 1 55 ILE H 1 55 ILE QG 4.400 . 4.400 2.669 2.234 2.996 . 0 0 "[ . 1 . 2]" 1
274 1 55 ILE H 1 56 ASP H 5.500 . 5.500 4.411 4.350 4.448 . 0 0 "[ . 1 . 2]" 1
275 1 55 ILE HA 1 56 ASP H 4.300 . 4.300 2.167 2.150 2.179 . 0 0 "[ . 1 . 2]" 1
276 1 55 ILE HA 1 70 LEU QB . . 4.600 4.390 3.845 4.793 0.193 10 0 "[ . 1 . 2]" 1
277 1 55 ILE HA 1 70 LEU MD2 5.000 . 5.000 4.277 3.436 4.970 . 0 0 "[ . 1 . 2]" 1
278 1 55 ILE MD 1 55 ILE MG 3.600 . 3.600 2.073 1.836 2.921 . 0 0 "[ . 1 . 2]" 1
279 1 55 ILE MD 1 70 LEU MD2 4.300 . 4.300 4.366 4.188 4.479 0.179 8 0 "[ . 1 . 2]" 1
280 1 55 ILE MD 1 77 PHE QD 4.400 . 4.400 3.347 3.062 3.828 . 0 0 "[ . 1 . 2]" 1
281 1 55 ILE MD 1 82 VAL MG2 4.300 . 4.300 2.651 2.067 3.127 . 0 0 "[ . 1 . 2]" 1
282 1 55 ILE QG 1 70 LEU QB 4.900 . 4.900 3.108 2.247 3.926 . 0 0 "[ . 1 . 2]" 1
283 1 55 ILE QG 1 70 LEU MD1 4.400 . 4.400 1.965 1.788 2.025 0.012 17 0 "[ . 1 . 2]" 1
284 1 55 ILE QG 1 70 LEU MD2 . . 4.200 3.471 3.068 3.827 . 0 0 "[ . 1 . 2]" 1
285 1 55 ILE MG 1 56 ASP H 4.300 . 4.300 2.568 2.460 2.669 . 0 0 "[ . 1 . 2]" 1
286 1 55 ILE MG 1 56 ASP QB 5.200 . 5.200 3.836 3.732 4.300 . 0 0 "[ . 1 . 2]" 1
287 1 55 ILE MG 1 57 ILE HA 5.200 . 5.200 3.772 3.484 4.400 . 0 0 "[ . 1 . 2]" 1
288 1 55 ILE MG 1 58 ILE H 5.300 . 5.300 4.755 4.247 5.268 . 0 0 "[ . 1 . 2]" 1
289 1 55 ILE MG 1 68 GLY H 5.500 . 5.500 3.791 3.571 4.235 . 0 0 "[ . 1 . 2]" 1
290 1 55 ILE MG 1 68 GLY QA 4.800 . 4.800 2.110 1.946 2.386 . 0 0 "[ . 1 . 2]" 1
291 1 55 ILE MG 1 69 MET H 4.100 . 4.100 2.539 2.226 2.891 . 0 0 "[ . 1 . 2]" 1
292 1 55 ILE MG 1 70 LEU QB 4.900 . 4.900 3.203 2.626 3.761 . 0 0 "[ . 1 . 2]" 1
293 1 55 ILE MG 1 77 PHE QD 4.400 . 4.400 3.626 3.278 4.050 . 0 0 "[ . 1 . 2]" 1
294 1 56 ASP H 1 69 MET H 5.200 . 5.200 2.956 2.582 3.414 . 0 0 "[ . 1 . 2]" 1
295 1 56 ASP QB 1 57 ILE H 4.200 . 4.200 3.656 3.108 3.912 . 0 0 "[ . 1 . 2]" 1
296 1 56 ASP QB 1 69 MET H 4.200 . 4.200 2.896 2.462 4.306 0.106 15 0 "[ . 1 . 2]" 1
297 1 57 ILE H 1 57 ILE MD 4.300 . 4.300 3.430 3.393 3.481 . 0 0 "[ . 1 . 2]" 1
298 1 57 ILE HA 1 57 ILE MD . . 4.600 3.827 3.816 3.840 . 0 0 "[ . 1 . 2]" 1
299 1 57 ILE HA 1 58 ILE H 4.300 . 4.300 2.149 2.133 2.186 . 0 0 "[ . 1 . 2]" 1
300 1 57 ILE MD 1 57 ILE MG 3.400 . 3.400 1.893 1.837 1.998 . 0 0 "[ . 1 . 2]" 1
301 1 57 ILE MD 1 60 LYS QG 5.500 . 5.500 4.431 3.572 5.252 . 0 0 "[ . 1 . 2]" 1
302 1 57 ILE MD 1 66 TRP HE3 4.900 . 4.900 3.502 2.821 3.898 . 0 0 "[ . 1 . 2]" 1
303 1 57 ILE MD 1 66 TRP HH2 4.600 . 4.600 4.178 3.514 4.720 0.120 9 0 "[ . 1 . 2]" 1
304 1 57 ILE MD 1 66 TRP HZ3 4.600 . 4.600 2.778 1.921 3.375 . 0 0 "[ . 1 . 2]" 1
305 1 57 ILE MG 1 58 ILE H 4.200 . 4.200 2.745 2.568 3.228 . 0 0 "[ . 1 . 2]" 1
306 1 57 ILE MG 1 59 CYS H 5.000 . 5.000 3.274 2.769 3.625 . 0 0 "[ . 1 . 2]" 1
307 1 57 ILE MG 1 60 LYS QE 5.300 . 5.300 3.333 2.140 5.071 . 0 0 "[ . 1 . 2]" 1
308 1 57 ILE MG 1 60 LYS QG . . 4.600 3.028 2.209 3.958 . 0 0 "[ . 1 . 2]" 1
309 1 57 ILE MG 1 66 TRP QB 5.400 . 5.400 3.779 3.417 4.339 . 0 0 "[ . 1 . 2]" 1
310 1 57 ILE MG 1 66 TRP HE3 5.200 . 5.200 3.955 3.139 4.471 . 0 0 "[ . 1 . 2]" 1
311 1 57 ILE MG 1 66 TRP HZ3 5.000 . 5.000 4.477 3.225 5.083 0.083 20 0 "[ . 1 . 2]" 1
312 1 57 ILE MG 1 67 THR H 4.800 . 4.800 4.212 3.677 4.478 . 0 0 "[ . 1 . 2]" 1
313 1 58 ILE H 1 58 ILE MD 5.500 . 5.500 3.899 3.692 4.526 . 0 0 "[ . 1 . 2]" 1
314 1 58 ILE H 1 58 ILE QG 4.400 . 4.400 2.957 2.090 4.064 . 0 0 "[ . 1 . 2]" 1
315 1 58 ILE H 1 59 CYS H 4.100 . 4.100 2.215 1.917 2.424 . 0 0 "[ . 1 . 2]" 1
316 1 58 ILE HB 1 59 CYS H 5.400 . 5.400 2.696 2.142 4.001 . 0 0 "[ . 1 . 2]" 1
317 1 58 ILE MD 1 58 ILE MG 3.800 . 3.800 1.950 1.835 2.150 . 0 0 "[ . 1 . 2]" 1
318 1 58 ILE MD 1 74 VAL HB 4.400 . 4.400 4.039 2.831 4.539 0.139 2 0 "[ . 1 . 2]" 1
319 1 58 ILE MD 1 74 VAL MG1 4.300 . 4.300 2.353 1.993 3.037 . 0 0 "[ . 1 . 2]" 1
320 1 58 ILE QG 1 59 CYS H 5.200 . 5.200 3.926 2.253 4.161 . 0 0 "[ . 1 . 2]" 1
321 1 58 ILE QG 1 69 MET H 5.500 . 5.500 3.780 3.053 5.638 0.138 19 0 "[ . 1 . 2]" 1
322 1 58 ILE MG 1 59 CYS H 3.800 . 3.800 2.885 1.967 3.791 . 0 0 "[ . 1 . 2]" 1
323 1 58 ILE MG 1 59 CYS HA 5.500 . 5.500 4.031 3.716 5.651 0.151 1 0 "[ . 1 . 2]" 1
324 1 58 ILE MG 1 59 CYS QB 4.600 . 4.600 2.780 2.353 4.678 0.078 1 0 "[ . 1 . 2]" 1
325 1 58 ILE MG 1 67 THR MG 3.600 . 3.600 2.973 1.943 3.692 0.092 1 0 "[ . 1 . 2]" 1
326 1 59 CYS H 1 67 THR H 4.600 . 4.600 3.465 3.206 3.955 . 0 0 "[ . 1 . 2]" 1
327 1 59 CYS H 1 67 THR HB 5.500 . 5.500 2.719 2.333 3.355 . 0 0 "[ . 1 . 2]" 1
328 1 59 CYS H 1 67 THR MG 5.500 . 5.500 3.526 3.129 4.100 . 0 0 "[ . 1 . 2]" 1
329 1 59 CYS QB 1 60 LYS H 4.900 . 4.900 3.027 2.211 3.625 . 0 0 "[ . 1 . 2]" 1
330 1 59 CYS QB 1 67 THR HB 5.500 . 5.500 2.924 2.032 4.138 . 0 0 "[ . 1 . 2]" 1
331 1 60 LYS H 1 60 LYS QD 4.900 . 4.900 3.844 1.897 4.767 . 0 0 "[ . 1 . 2]" 1
332 1 60 LYS H 1 61 THR H 5.500 . 5.500 4.493 4.077 4.594 . 0 0 "[ . 1 . 2]" 1
333 1 60 LYS HA 1 61 THR H 4.100 . 4.100 2.275 2.148 2.358 . 0 0 "[ . 1 . 2]" 1
334 1 60 LYS HA 1 66 TRP HA 4.900 . 4.900 2.712 2.331 3.322 . 0 0 "[ . 1 . 2]" 1
335 1 60 LYS HA 1 66 TRP HD1 5.500 . 5.500 3.530 3.050 4.146 . 0 0 "[ . 1 . 2]" 1
336 1 60 LYS HA 1 66 TRP HE1 5.400 . 5.400 4.746 4.318 5.088 . 0 0 "[ . 1 . 2]" 1
337 1 60 LYS HA 1 67 THR H 5.500 . 5.500 3.030 2.652 3.636 . 0 0 "[ . 1 . 2]" 1
338 1 60 LYS QB 1 61 THR H 4.700 . 4.700 2.782 2.497 3.288 . 0 0 "[ . 1 . 2]" 1
339 1 60 LYS QB 1 66 TRP HD1 5.500 . 5.500 3.674 2.872 4.587 . 0 0 "[ . 1 . 2]" 1
340 1 60 LYS QB 1 66 TRP HE1 5.000 . 5.000 3.525 2.857 3.866 . 0 0 "[ . 1 . 2]" 1
341 1 60 LYS QB 1 66 TRP HZ2 5.500 . 5.500 5.088 3.854 5.590 0.090 20 0 "[ . 1 . 2]" 1
342 1 60 LYS QD 1 66 TRP HE1 5.300 . 5.300 3.787 2.350 5.381 0.081 12 0 "[ . 1 . 2]" 1
343 1 60 LYS QD 1 66 TRP HZ2 5.300 . 5.300 4.015 3.005 5.216 . 0 0 "[ . 1 . 2]" 1
344 1 60 LYS QE 1 66 TRP HH2 5.500 . 5.500 3.942 3.054 4.623 . 0 0 "[ . 1 . 2]" 1
345 1 60 LYS QE 1 66 TRP HZ2 5.500 . 5.500 3.415 2.228 4.738 . 0 0 "[ . 1 . 2]" 1
346 1 60 LYS QE 1 66 TRP HZ3 5.500 . 5.500 4.639 3.456 5.512 0.012 9 0 "[ . 1 . 2]" 1
347 1 60 LYS QG 1 61 THR H 5.500 . 5.500 3.941 3.602 4.373 . 0 0 "[ . 1 . 2]" 1
348 1 61 THR H 1 66 TRP HE1 4.800 . 4.800 4.599 3.232 5.017 0.217 19 0 "[ . 1 . 2]" 1
349 1 61 THR H 1 67 THR H 5.400 . 5.400 4.427 3.624 5.458 0.058 12 0 "[ . 1 . 2]" 1
350 1 65 MET HA 1 66 TRP H . . 4.100 2.230 2.198 2.262 . 0 0 "[ . 1 . 2]" 1
351 1 65 MET QB 1 66 TRP H 4.900 . 4.900 2.842 2.701 3.105 . 0 0 "[ . 1 . 2]" 1
352 1 65 MET QB 1 76 ASN QB 5.400 . 5.400 2.633 2.072 3.563 . 0 0 "[ . 1 . 2]" 1
353 1 65 MET QB 1 77 PHE H 5.500 . 5.500 2.989 2.780 3.310 . 0 0 "[ . 1 . 2]" 1
354 1 65 MET QB 1 77 PHE QB 5.300 . 5.300 5.180 4.710 5.395 0.095 4 0 "[ . 1 . 2]" 1
355 1 65 MET QB 1 79 PHE QE 4.900 . 4.900 5.077 4.814 5.201 0.301 10 0 "[ . 1 . 2]" 1
356 1 65 MET QG 1 77 PHE H 4.700 . 4.700 4.350 2.981 4.836 0.136 4 0 "[ . 1 . 2]" 1
357 1 66 TRP H 1 66 TRP HD1 5.500 . 5.500 3.115 2.886 3.352 . 0 0 "[ . 1 . 2]" 1
358 1 66 TRP H 1 77 PHE H . . 4.600 3.315 2.772 3.631 . 0 0 "[ . 1 . 2]" 1
359 1 66 TRP H 1 79 PHE H 5.400 . 5.400 3.216 2.737 3.599 . 0 0 "[ . 1 . 2]" 1
360 1 66 TRP HA 1 66 TRP HD1 4.400 . 4.400 2.198 2.060 2.403 . 0 0 "[ . 1 . 2]" 1
361 1 66 TRP HA 1 67 THR H . . 4.200 2.247 2.200 2.333 . 0 0 "[ . 1 . 2]" 1
362 1 66 TRP QB 1 67 THR H 4.000 . 4.000 2.762 2.554 2.983 . 0 0 "[ . 1 . 2]" 1
363 1 66 TRP QB 1 77 PHE QD . . 5.200 3.368 2.759 3.716 . 0 0 "[ . 1 . 2]" 1
364 1 66 TRP HD1 1 79 PHE QB 5.500 . 5.500 3.140 2.658 3.768 . 0 0 "[ . 1 . 2]" 1
365 1 66 TRP HE1 1 79 PHE QB 5.000 . 5.000 3.439 3.106 4.016 . 0 0 "[ . 1 . 2]" 1
366 1 66 TRP HE1 1 79 PHE QD 5.400 . 5.400 4.239 2.917 4.883 . 0 0 "[ . 1 . 2]" 1
367 1 66 TRP HE3 1 77 PHE QD 5.500 . 5.500 5.250 4.885 5.609 0.109 5 0 "[ . 1 . 2]" 1
368 1 66 TRP HE3 1 84 VAL MG1 5.500 . 5.500 4.884 3.553 5.600 0.100 8 0 "[ . 1 . 2]" 1
369 1 66 TRP HH2 1 79 PHE QB 5.500 . 5.500 4.818 4.118 5.510 0.010 3 0 "[ . 1 . 2]" 1
370 1 66 TRP HH2 1 82 VAL MG1 5.500 . 5.500 5.064 4.557 5.588 0.088 17 0 "[ . 1 . 2]" 1
371 1 66 TRP HH2 1 84 VAL MG1 4.900 . 4.900 2.347 1.992 2.919 . 0 0 "[ . 1 . 2]" 1
372 1 66 TRP HH2 1 84 VAL MG2 . . 5.400 3.372 2.404 3.648 . 0 0 "[ . 1 . 2]" 1
373 1 66 TRP HZ2 1 79 PHE QB 5.500 . 5.500 4.084 3.646 4.583 . 0 0 "[ . 1 . 2]" 1
374 1 66 TRP HZ2 1 84 VAL MG1 4.100 . 4.100 4.199 4.011 4.340 0.240 8 0 "[ . 1 . 2]" 1
375 1 66 TRP HZ2 1 84 VAL MG2 5.300 . 5.300 5.227 4.560 5.415 0.115 17 0 "[ . 1 . 2]" 1
376 1 66 TRP HZ3 1 84 VAL MG1 4.200 . 4.200 2.970 1.806 3.902 . 0 0 "[ . 1 . 2]" 1
377 1 66 TRP HZ3 1 84 VAL MG2 5.400 . 5.400 3.596 2.697 4.272 . 0 0 "[ . 1 . 2]" 1
378 1 67 THR H 1 67 THR HB 4.300 . 4.300 2.579 2.498 2.662 . 0 0 "[ . 1 . 2]" 1
379 1 67 THR H 1 67 THR MG 4.600 . 4.600 3.821 3.789 3.864 . 0 0 "[ . 1 . 2]" 1
380 1 67 THR HA 1 68 GLY H . . 4.400 2.192 2.164 2.235 . 0 0 "[ . 1 . 2]" 1
381 1 67 THR HA 1 76 ASN HA 4.400 . 4.400 2.495 2.327 2.649 . 0 0 "[ . 1 . 2]" 1
382 1 67 THR HA 1 77 PHE H 5.300 . 5.300 3.793 3.503 4.028 . 0 0 "[ . 1 . 2]" 1
383 1 67 THR HA 1 77 PHE QD 5.500 . 5.500 3.873 3.300 4.344 . 0 0 "[ . 1 . 2]" 1
384 1 67 THR HB 1 68 GLY H 5.300 . 5.300 4.077 3.956 4.163 . 0 0 "[ . 1 . 2]" 1
385 1 67 THR MG 1 68 GLY H 4.300 . 4.300 2.434 2.248 2.568 . 0 0 "[ . 1 . 2]" 1
386 1 67 THR MG 1 74 VAL MG1 4.800 . 4.800 3.044 2.357 4.183 . 0 0 "[ . 1 . 2]" 1
387 1 67 THR MG 1 74 VAL MG2 4.700 . 4.700 4.290 4.085 4.576 . 0 0 "[ . 1 . 2]" 1
388 1 67 THR MG 1 75 GLY H 5.400 . 5.400 3.438 3.072 3.759 . 0 0 "[ . 1 . 2]" 1
389 1 67 THR MG 1 75 GLY QA 5.500 . 5.500 3.683 3.280 4.062 . 0 0 "[ . 1 . 2]" 1
390 1 67 THR MG 1 76 ASN HA . . 5.300 3.502 3.033 3.947 . 0 0 "[ . 1 . 2]" 1
391 1 67 THR MG 1 76 ASN HD22 5.500 . 5.500 3.858 2.412 4.636 . 0 0 "[ . 1 . 2]" 1
392 1 67 THR MG 1 77 PHE H 5.500 . 5.500 5.251 4.842 5.552 0.052 16 0 "[ . 1 . 2]" 1
393 1 68 GLY H 1 74 VAL MG1 4.700 . 4.700 3.987 3.331 4.800 0.100 1 0 "[ . 1 . 2]" 1
394 1 68 GLY H 1 75 GLY H 4.900 . 4.900 3.124 2.909 3.319 . 0 0 "[ . 1 . 2]" 1
395 1 68 GLY H 1 76 ASN HA . . 5.400 3.762 3.562 3.959 . 0 0 "[ . 1 . 2]" 1
396 1 68 GLY H 1 77 PHE QD 4.800 . 4.800 3.682 3.293 4.257 . 0 0 "[ . 1 . 2]" 1
397 1 68 GLY QA 1 69 MET H 4.600 . 4.600 2.278 2.248 2.290 . 0 0 "[ . 1 . 2]" 1
398 1 68 GLY QA 1 77 PHE QD 5.500 . 5.500 4.527 4.140 5.303 . 0 0 "[ . 1 . 2]" 1
399 1 69 MET HA 1 70 LEU H 3.700 . 3.700 2.200 2.157 2.248 . 0 0 "[ . 1 . 2]" 1
400 1 69 MET HA 1 73 LYS H 5.500 . 5.500 4.036 3.818 4.270 . 0 0 "[ . 1 . 2]" 1
401 1 69 MET HA 1 74 VAL HA 4.700 . 4.700 2.160 2.078 2.252 . 0 0 "[ . 1 . 2]" 1
402 1 69 MET HA 1 75 GLY H 5.500 . 5.500 3.603 3.312 3.850 . 0 0 "[ . 1 . 2]" 1
403 1 69 MET QB 1 70 LEU H . . 4.600 3.530 2.792 3.673 . 0 0 "[ . 1 . 2]" 1
404 1 69 MET QB 1 73 LYS H 4.700 . 4.700 4.456 3.443 4.802 0.102 15 0 "[ . 1 . 2]" 1
405 1 69 MET QB 1 74 VAL HA 5.400 . 5.400 3.640 3.323 3.902 . 0 0 "[ . 1 . 2]" 1
406 1 70 LEU H 1 73 LYS H . . 4.300 2.471 2.321 2.631 . 0 0 "[ . 1 . 2]" 1
407 1 70 LEU H 1 73 LYS QB 5.200 . 5.200 3.241 2.793 3.639 . 0 0 "[ . 1 . 2]" 1
408 1 70 LEU MD2 1 71 ASN HD21 5.400 . 5.400 3.007 1.869 4.806 . 0 0 "[ . 1 . 2]" 1
409 1 70 LEU MD2 1 71 ASN HD22 4.900 . 4.900 2.984 1.816 5.185 0.285 19 0 "[ . 1 . 2]" 1
410 1 71 ASN HA 1 71 ASN HD22 5.500 . 5.500 4.655 4.052 5.181 . 0 0 "[ . 1 . 2]" 1
411 1 71 ASN QB 1 72 ASN H 5.500 . 5.500 3.954 3.900 4.025 . 0 0 "[ . 1 . 2]" 1
412 1 71 ASN HD21 1 73 LYS QB 5.500 . 5.500 4.506 2.796 5.803 0.303 17 0 "[ . 1 . 2]" 1
413 1 71 ASN HD22 1 73 LYS QB 5.500 . 5.500 5.338 2.280 5.847 0.347 17 0 "[ . 1 . 2]" 1
414 1 72 ASN H 1 73 LYS H 4.700 . 4.700 2.693 2.646 2.769 . 0 0 "[ . 1 . 2]" 1
415 1 72 ASN HA 1 72 ASN HD22 5.500 . 5.500 4.342 3.591 4.639 . 0 0 "[ . 1 . 2]" 1
416 1 72 ASN HA 1 73 LYS H . . 5.000 2.904 2.844 2.993 . 0 0 "[ . 1 . 2]" 1
417 1 73 LYS H 1 74 VAL H . . 5.200 4.071 3.976 4.145 . 0 0 "[ . 1 . 2]" 1
418 1 73 LYS HA 1 74 VAL H 5.500 . 5.500 2.164 2.147 2.182 . 0 0 "[ . 1 . 2]" 1
419 1 73 LYS QB 1 74 VAL H 4.400 . 4.400 3.866 3.617 3.907 . 0 0 "[ . 1 . 2]" 1
420 1 74 VAL H 1 74 VAL HB 4.300 . 4.300 2.883 2.445 3.659 . 0 0 "[ . 1 . 2]" 1
421 1 74 VAL H 1 75 GLY H . . 4.900 4.506 4.441 4.576 . 0 0 "[ . 1 . 2]" 1
422 1 74 VAL HA 1 75 GLY H . . 4.100 2.185 2.155 2.239 . 0 0 "[ . 1 . 2]" 1
423 1 74 VAL HB 1 75 GLY H 5.000 . 5.000 3.798 2.946 4.275 . 0 0 "[ . 1 . 2]" 1
424 1 74 VAL MG1 1 75 GLY H 3.800 . 3.800 3.049 2.582 3.821 0.021 16 0 "[ . 1 . 2]" 1
425 1 74 VAL MG2 1 75 GLY H 5.000 . 5.000 3.957 3.838 4.025 . 0 0 "[ . 1 . 2]" 1
426 1 75 GLY QA 1 76 ASN H . . 4.300 2.291 2.272 2.300 . 0 0 "[ . 1 . 2]" 1
427 1 76 ASN H 1 76 ASN HD21 5.500 . 5.500 3.853 2.797 4.800 . 0 0 "[ . 1 . 2]" 1
428 1 76 ASN H 1 77 PHE H 4.900 . 4.900 4.529 4.486 4.554 . 0 0 "[ . 1 . 2]" 1
429 1 76 ASN HA 1 77 PHE H 3.700 . 3.700 2.281 2.177 2.355 . 0 0 "[ . 1 . 2]" 1
430 1 76 ASN HA 1 77 PHE QD 5.200 . 5.200 3.210 3.083 3.421 . 0 0 "[ . 1 . 2]" 1
431 1 76 ASN QB 1 77 PHE H . . 4.100 2.651 2.494 3.037 . 0 0 "[ . 1 . 2]" 1
432 1 77 PHE H 1 77 PHE QD 4.200 . 4.200 3.032 2.765 3.195 . 0 0 "[ . 1 . 2]" 1
433 1 77 PHE QB 1 78 LYS H . . 4.200 2.535 2.433 2.806 . 0 0 "[ . 1 . 2]" 1
434 1 77 PHE QB 1 82 VAL MG1 . . 5.000 4.809 4.166 5.101 0.101 10 0 "[ . 1 . 2]" 1
435 1 77 PHE QB 1 82 VAL MG2 4.800 . 4.800 4.408 2.545 4.972 0.172 10 0 "[ . 1 . 2]" 1
436 1 77 PHE QD 1 78 LYS H 4.300 . 4.300 3.655 3.348 4.014 . 0 0 "[ . 1 . 2]" 1
437 1 77 PHE QD 1 79 PHE HA 4.600 . 4.600 3.265 3.058 3.548 . 0 0 "[ . 1 . 2]" 1
438 1 77 PHE QD 1 82 VAL MG1 4.000 . 4.000 3.150 2.362 3.818 . 0 0 "[ . 1 . 2]" 1
439 1 77 PHE QD 1 82 VAL MG2 4.000 . 4.000 3.408 1.922 4.029 0.029 16 0 "[ . 1 . 2]" 1
440 1 77 PHE QE 1 82 VAL MG1 4.300 . 4.300 2.034 1.844 2.524 . 0 0 "[ . 1 . 2]" 1
441 1 77 PHE QE 1 82 VAL MG2 4.700 . 4.700 3.069 2.390 3.467 . 0 0 "[ . 1 . 2]" 1
442 1 78 LYS H 1 81 TYR QD 5.500 . 5.500 3.897 3.485 4.302 . 0 0 "[ . 1 . 2]" 1
443 1 78 LYS H 1 81 TYR QE 5.500 . 5.500 5.365 5.083 5.741 0.241 19 0 "[ . 1 . 2]" 1
444 1 78 LYS HA 1 78 LYS QG 3.800 . 3.800 2.269 2.060 2.527 . 0 0 "[ . 1 . 2]" 1
445 1 78 LYS HA 1 79 PHE H . . 4.200 2.129 2.106 2.150 . 0 0 "[ . 1 . 2]" 1
446 1 78 LYS QG 1 80 ILE MD 4.300 . 4.300 3.396 2.180 4.485 0.185 15 0 "[ . 1 . 2]" 1
447 1 78 LYS QG 1 80 ILE QG 4.700 . 4.700 3.597 2.211 4.755 0.055 13 0 "[ . 1 . 2]" 1
448 1 78 LYS QG 1 80 ILE MG 4.600 . 4.600 3.404 1.808 4.774 0.174 2 0 "[ . 1 . 2]" 1
449 1 79 PHE H 1 79 PHE QD 4.700 . 4.700 2.079 1.851 2.500 . 0 0 "[ . 1 . 2]" 1
450 1 79 PHE H 1 80 ILE H 5.200 . 5.200 2.640 2.552 2.719 . 0 0 "[ . 1 . 2]" 1
451 1 79 PHE HA 1 80 ILE H 5.500 . 5.500 3.477 3.441 3.507 . 0 0 "[ . 1 . 2]" 1
452 1 79 PHE HA 1 82 VAL H 5.400 . 5.400 3.337 3.101 3.598 . 0 0 "[ . 1 . 2]" 1
453 1 79 PHE HA 1 82 VAL MG1 . . 4.100 2.499 1.921 4.098 . 0 0 "[ . 1 . 2]" 1
454 1 79 PHE HA 1 82 VAL MG2 5.200 . 5.200 4.195 3.276 4.700 . 0 0 "[ . 1 . 2]" 1
455 1 79 PHE QB 1 80 ILE H . . 4.900 3.593 3.537 3.647 . 0 0 "[ . 1 . 2]" 1
456 1 79 PHE QB 1 82 VAL MG1 . . 5.300 3.437 2.621 4.961 . 0 0 "[ . 1 . 2]" 1
457 1 79 PHE QD 1 80 ILE HA 5.500 . 5.500 3.087 2.746 3.414 . 0 0 "[ . 1 . 2]" 1
458 1 79 PHE QD 1 80 ILE MG 4.900 . 4.900 3.935 2.418 4.901 0.001 11 0 "[ . 1 . 2]" 1
459 1 79 PHE QE 1 80 ILE MG 4.600 . 4.600 3.669 2.033 4.725 0.125 15 0 "[ . 1 . 2]" 1
460 1 80 ILE H 1 80 ILE MD 4.800 . 4.800 3.726 3.377 4.311 . 0 0 "[ . 1 . 2]" 1
461 1 80 ILE H 1 80 ILE QG 4.100 . 4.100 2.671 1.917 4.046 . 0 0 "[ . 1 . 2]" 1
462 1 80 ILE H 1 80 ILE MG 3.700 . 3.700 2.642 1.863 3.737 0.037 4 0 "[ . 1 . 2]" 1
463 1 80 ILE H 1 81 TYR H . . 4.600 2.594 2.422 2.684 . 0 0 "[ . 1 . 2]" 1
464 1 80 ILE HA 1 80 ILE MG . . 3.700 2.607 2.244 3.211 . 0 0 "[ . 1 . 2]" 1
465 1 80 ILE HA 1 81 TYR H 5.000 . 5.000 3.485 3.429 3.526 . 0 0 "[ . 1 . 2]" 1
466 1 80 ILE HA 1 82 VAL H 5.400 . 5.400 3.745 3.568 3.951 . 0 0 "[ . 1 . 2]" 1
467 1 80 ILE HB 1 81 TYR H 5.500 . 5.500 3.525 2.626 4.130 . 0 0 "[ . 1 . 2]" 1
468 1 80 ILE MD 1 81 TYR H 4.400 . 4.400 4.386 3.988 4.656 0.256 15 0 "[ . 1 . 2]" 1
469 1 80 ILE MD 1 81 TYR QD 5.000 . 5.000 4.072 2.827 5.044 0.044 15 0 "[ . 1 . 2]" 1
470 1 80 ILE MD 1 81 TYR QE 4.800 . 4.800 3.455 1.991 5.045 0.245 15 0 "[ . 1 . 2]" 1
471 1 80 ILE QG 1 81 TYR H 4.800 . 4.800 3.396 2.268 4.086 . 0 0 "[ . 1 . 2]" 1
472 1 81 TYR H 1 81 TYR QE 5.500 . 5.500 4.695 4.465 4.974 . 0 0 "[ . 1 . 2]" 1
473 1 81 TYR H 1 82 VAL H . . 3.700 2.467 2.267 2.615 . 0 0 "[ . 1 . 2]" 1
474 1 81 TYR HA 1 81 TYR QD 4.200 . 4.200 2.007 1.869 2.963 . 0 0 "[ . 1 . 2]" 1
475 1 81 TYR HA 1 82 VAL H 5.500 . 5.500 3.286 3.137 3.427 . 0 0 "[ . 1 . 2]" 1
476 1 81 TYR QB 1 82 VAL H 5.400 . 5.400 3.372 3.003 3.619 . 0 0 "[ . 1 . 2]" 1
477 1 81 TYR QB 1 82 VAL MG2 5.500 . 5.500 4.211 2.861 4.875 . 0 0 "[ . 1 . 2]" 1
478 1 82 VAL H 1 83 ASP H 5.500 . 5.500 4.422 4.357 4.487 . 0 0 "[ . 1 . 2]" 1
479 1 82 VAL HA 1 83 ASP H 4.400 . 4.400 2.298 2.167 2.412 . 0 0 "[ . 1 . 2]" 1
480 1 82 VAL HB 1 83 ASP H 4.600 . 4.600 4.070 3.948 4.213 . 0 0 "[ . 1 . 2]" 1
481 1 82 VAL MG1 1 83 ASP H 4.200 . 4.200 2.809 2.354 3.256 . 0 0 "[ . 1 . 2]" 1
482 1 82 VAL MG2 1 83 ASP H 4.300 . 4.300 2.517 1.927 3.930 . 0 0 "[ . 1 . 2]" 1
483 1 83 ASP HA 1 84 VAL H . . 4.200 2.224 2.156 2.366 . 0 0 "[ . 1 . 2]" 1
484 1 83 ASP QB 1 84 VAL H 4.700 . 4.700 3.276 2.503 3.716 . 0 0 "[ . 1 . 2]" 1
485 1 84 VAL H 1 84 VAL HB 4.000 . 4.000 3.143 2.706 3.681 . 0 0 "[ . 1 . 2]" 1
486 1 84 VAL H 1 84 VAL MG1 4.100 . 4.100 1.962 1.829 2.379 . 0 0 "[ . 1 . 2]" 1
487 1 84 VAL H 1 84 VAL MG2 4.600 . 4.600 3.221 1.839 3.789 . 0 0 "[ . 1 . 2]" 1
488 1 84 VAL H 1 85 ILE H 5.500 . 5.500 4.507 4.454 4.554 . 0 0 "[ . 1 . 2]" 1
489 1 84 VAL HA 1 85 ILE H 3.800 . 3.800 2.160 2.132 2.211 . 0 0 "[ . 1 . 2]" 1
490 1 84 VAL HB 1 85 ILE H 5.500 . 5.500 3.833 3.035 4.287 . 0 0 "[ . 1 . 2]" 1
491 1 84 VAL MG1 1 85 ILE H 5.000 . 5.000 4.105 3.968 4.263 . 0 0 "[ . 1 . 2]" 1
492 1 84 VAL MG2 1 85 ILE H 4.400 . 4.400 2.934 2.398 3.925 . 0 0 "[ . 1 . 2]" 1
493 1 85 ILE H 1 85 ILE HB 4.300 . 4.300 3.529 2.409 3.820 . 0 0 "[ . 1 . 2]" 1
494 1 85 ILE H 1 85 ILE MD 5.000 . 5.000 3.944 3.530 4.454 . 0 0 "[ . 1 . 2]" 1
495 1 85 ILE H 1 85 ILE QG 4.700 . 4.700 2.425 2.100 3.947 . 0 0 "[ . 1 . 2]" 1
496 1 85 ILE H 1 85 ILE MG 3.700 . 3.700 2.881 2.638 3.774 0.074 19 0 "[ . 1 . 2]" 1
497 1 86 SER HA 1 87 GLU H 5.500 . 5.500 2.250 2.148 2.470 . 0 0 "[ . 1 . 2]" 1
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