NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
372606 |
1dby   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dby
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 1161
_Distance_constraint_stats_list.Viol_count 2150
_Distance_constraint_stats_list.Viol_total 4910.608
_Distance_constraint_stats_list.Viol_max 0.975
_Distance_constraint_stats_list.Viol_rms 0.0364
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0816
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 2 GLU 0.842 0.081 17 0 "[ . 1 . 2 . ]"
1 3 ALA 1.315 0.094 21 0 "[ . 1 . 2 . ]"
1 4 GLY 1.374 0.535 18 2 "[ .- 1 . + 2 . ]"
1 5 ALA 0.840 0.535 18 1 "[ . 1 . + 2 . ]"
1 6 VAL 0.619 0.492 24 0 "[ . 1 . 2 . ]"
1 7 ASN 11.701 0.798 24 6 "[ . -*1 . * * +.* ]"
1 8 ASP 10.055 0.754 26 1 "[ . 1 . 2 .+ ]"
1 9 ASP 6.004 0.389 26 0 "[ . 1 . 2 . ]"
1 10 THR 2.440 0.134 27 0 "[ . 1 . 2 . ]"
1 11 PHE 9.156 0.664 23 4 "[ . 1* * . 2 + .- ]"
1 12 LYS 10.083 0.928 7 4 "[ . + 1 - . 2** . ]"
1 13 ASN 10.835 0.928 7 4 "[ . + 1 - . 2** . ]"
1 14 VAL 3.650 0.501 6 1 "[ .+ 1 . 2 . ]"
1 15 VAL 0.120 0.120 6 0 "[ . 1 . 2 . ]"
1 16 LEU 0.769 0.164 18 0 "[ . 1 . 2 . ]"
1 17 GLU 3.049 0.428 14 0 "[ . 1 . 2 . ]"
1 18 SER 0.364 0.065 27 0 "[ . 1 . 2 . ]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 20 VAL 1.381 0.188 18 0 "[ . 1 . 2 . ]"
1 21 PRO 5.230 0.212 21 0 "[ . 1 . 2 . ]"
1 22 VAL 6.981 0.975 19 3 "[ . 1 . *+2 . - ]"
1 23 LEU 0.638 0.463 27 0 "[ . 1 . 2 . ]"
1 24 VAL 0.933 0.492 24 0 "[ . 1 . 2 . ]"
1 25 ASP 2.466 0.262 18 0 "[ . 1 . 2 . ]"
1 26 PHE 0.861 0.095 22 0 "[ . 1 . 2 . ]"
1 27 TRP 8.714 0.326 22 0 "[ . 1 . 2 . ]"
1 28 ALA 3.863 0.114 18 0 "[ . 1 . 2 . ]"
1 29 PRO 4.648 0.326 22 0 "[ . 1 . 2 . ]"
1 30 TRP 2.784 0.134 17 0 "[ . 1 . 2 . ]"
1 31 CYS 1.241 0.166 7 0 "[ . 1 . 2 . ]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 33 PRO 6.351 0.815 3 6 "[ + . ** * * 2 -. ]"
1 34 CYS 3.796 0.139 5 0 "[ . 1 . 2 . ]"
1 35 ARG 1.986 0.161 3 0 "[ . 1 . 2 . ]"
1 36 ILE 1.265 0.161 3 0 "[ . 1 . 2 . ]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 38 ALA 1.717 0.147 6 0 "[ . 1 . 2 . ]"
1 39 PRO 2.870 0.175 8 0 "[ . 1 . 2 . ]"
1 40 VAL 1.614 0.175 8 0 "[ . 1 . 2 . ]"
1 41 VAL 0.657 0.111 17 0 "[ . 1 . 2 . ]"
1 42 ASP 0.246 0.111 17 0 "[ . 1 . 2 . ]"
1 43 GLU 6.123 0.975 10 2 "[ . + . 2 . * ]"
1 44 ILE 2.892 0.575 4 2 "[ +. 1 . - 2 . ]"
1 45 ALA 0.077 0.037 4 0 "[ . 1 . 2 . ]"
1 46 GLY 1.580 0.597 10 1 "[ . + . 2 . ]"
1 47 GLU 4.320 0.975 10 2 "[ . + . 2 . - ]"
1 48 TYR 2.921 0.093 11 0 "[ . 1 . 2 . ]"
1 49 LYS 5.140 0.548 11 1 "[ . 1+ . 2 . ]"
1 50 ASP 5.793 0.548 11 1 "[ . 1+ . 2 . ]"
1 51 LYS 4.239 0.379 14 0 "[ . 1 . 2 . ]"
1 52 LEU 2.897 0.379 14 0 "[ . 1 . 2 . ]"
1 53 LYS 5.204 0.975 19 4 "[ . 1 . *+2 .-* ]"
1 54 CYS 1.070 0.125 4 0 "[ . 1 . 2 . ]"
1 55 VAL 1.420 0.620 26 1 "[ . 1 . 2 .+ ]"
1 56 LYS 0.076 0.038 18 0 "[ . 1 . 2 . ]"
1 57 LEU 6.948 0.664 23 4 "[ . 1* * . 2 + .- ]"
1 58 ASN 3.193 0.132 19 0 "[ . 1 . 2 . ]"
1 59 THR 2.398 0.083 11 0 "[ . 1 . 2 . ]"
1 60 ASP 1.122 0.099 6 0 "[ . 1 . 2 . ]"
1 61 GLU 5.287 0.798 24 6 "[ . -*1 . * * +.* ]"
1 62 SER 8.442 0.414 20 0 "[ . 1 . 2 . ]"
1 63 PRO 10.316 0.616 3 4 "[ + . 1 - ** 2 . ]"
1 64 ASN 16.706 0.754 26 5 "[ * . 1 - ** 2 .+ ]"
1 65 VAL 6.157 0.200 9 0 "[ . 1 . 2 . ]"
1 66 ALA 1.948 0.100 14 0 "[ . 1 . 2 . ]"
1 67 SER 1.715 0.079 4 0 "[ . 1 . 2 . ]"
1 68 GLU 2.045 0.079 4 0 "[ . 1 . 2 . ]"
1 69 TYR 2.257 0.193 18 0 "[ . 1 . 2 . ]"
1 70 GLY 1.440 0.084 13 0 "[ . 1 . 2 . ]"
1 71 ILE 0.811 0.182 11 0 "[ . 1 . 2 . ]"
1 72 ARG 1.182 0.672 1 2 "[+ . 1 . 2 . - ]"
1 73 SER 1.182 0.672 1 2 "[+ . 1 . 2 . - ]"
1 74 ILE 2.547 0.134 17 0 "[ . 1 . 2 . ]"
1 75 PRO 7.011 0.815 3 6 "[ + . ** * * 2 -. ]"
1 76 THR 2.278 0.256 20 0 "[ . 1 . 2 . ]"
1 77 ILE 3.354 0.385 13 0 "[ . 1 . 2 . ]"
1 78 MET 3.517 0.385 13 0 "[ . 1 . 2 . ]"
1 79 VAL 2.212 0.463 27 0 "[ . 1 . 2 . ]"
1 80 PHE 0.138 0.055 5 0 "[ . 1 . 2 . ]"
1 81 LYS 0.824 0.253 7 0 "[ . 1 . 2 . ]"
1 82 GLY 0.337 0.253 7 0 "[ . 1 . 2 . ]"
1 83 GLY 5.200 0.608 9 3 "[ . +1 . 2 . *-]"
1 84 LYS 5.425 0.608 9 3 "[ . +1 . 2 . *-]"
1 85 LYS 0.838 0.193 18 0 "[ . 1 . 2 . ]"
1 86 CYS 1.975 0.165 9 0 "[ . 1 . 2 . ]"
1 87 GLU 2.034 0.165 9 0 "[ . 1 . 2 . ]"
1 88 THR 0.299 0.139 18 0 "[ . 1 . 2 . ]"
1 89 ILE 0.142 0.128 18 0 "[ . 1 . 2 . ]"
1 90 ILE 0.667 0.256 20 0 "[ . 1 . 2 . ]"
1 91 GLY 0.120 0.062 25 0 "[ . 1 . 2 . ]"
1 92 ALA 0.300 0.068 21 0 "[ . 1 . 2 . ]"
1 93 VAL 2.089 0.197 27 0 "[ . 1 . 2 . ]"
1 94 PRO 9.726 0.878 8 8 "[ * . + 1*-* . 2 * . **]"
1 95 LYS 16.287 0.878 8 10 "[ **. + 1*** . - 2 * . **]"
1 96 ALA 3.837 0.761 13 2 "[ . - 1 + . 2 . ]"
1 97 THR 0.345 0.082 22 0 "[ . 1 . 2 . ]"
1 98 ILE 1.891 0.128 12 0 "[ . 1 . 2 . ]"
1 99 VAL 0.216 0.033 20 0 "[ . 1 . 2 . ]"
1 100 GLN 1.368 0.141 27 0 "[ . 1 . 2 . ]"
1 101 THR 2.381 0.141 27 0 "[ . 1 . 2 . ]"
1 102 VAL 3.256 0.161 8 0 "[ . 1 . 2 . ]"
1 103 GLU 6.785 0.161 8 0 "[ . 1 . 2 . ]"
1 104 LYS 2.520 0.122 7 0 "[ . 1 . 2 . ]"
1 105 TYR 0.190 0.190 7 0 "[ . 1 . 2 . ]"
1 106 LEU 1.800 0.190 7 0 "[ . 1 . 2 . ]"
1 107 ASN 1.423 0.152 3 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 VAL H 1 6 VAL MG1 4.300 . 4.300 3.255 2.661 3.496 . 0 0 "[ . 1 . 2 . ]" 1
2 1 6 VAL H 1 6 VAL MG2 4.300 . 4.300 2.267 2.012 2.502 . 0 0 "[ . 1 . 2 . ]" 1
3 1 14 VAL H 1 14 VAL HB 2.900 . 2.900 2.371 2.265 2.467 . 0 0 "[ . 1 . 2 . ]" 1
4 1 14 VAL H 1 14 VAL MG1 4.500 . 4.500 3.691 2.259 3.823 . 0 0 "[ . 1 . 2 . ]" 1
5 1 14 VAL HA 1 14 VAL MG2 3.700 . 3.700 2.362 2.329 2.401 . 0 0 "[ . 1 . 2 . ]" 1
6 1 14 VAL HA 1 14 VAL MG1 3.700 . 3.700 2.492 2.390 3.179 . 0 0 "[ . 1 . 2 . ]" 1
7 1 15 VAL H 1 15 VAL HB 2.900 . 2.900 2.636 2.451 2.786 . 0 0 "[ . 1 . 2 . ]" 1
8 1 15 VAL H 1 15 VAL MG2 4.500 . 4.500 2.419 2.151 2.672 . 0 0 "[ . 1 . 2 . ]" 1
9 1 15 VAL HA 1 15 VAL MG1 3.700 . 3.700 2.332 2.252 2.423 . 0 0 "[ . 1 . 2 . ]" 1
10 1 15 VAL HA 1 15 VAL MG2 3.700 . 3.700 2.470 2.417 2.508 . 0 0 "[ . 1 . 2 . ]" 1
11 1 16 LEU H 1 16 LEU MD1 4.500 . 4.500 3.739 3.637 3.822 . 0 0 "[ . 1 . 2 . ]" 1
12 1 16 LEU H 1 16 LEU MD2 4.500 . 4.500 3.189 2.826 3.568 . 0 0 "[ . 1 . 2 . ]" 1
13 1 16 LEU HA 1 16 LEU MD1 4.500 . 4.500 3.815 3.736 3.854 . 0 0 "[ . 1 . 2 . ]" 1
14 1 20 VAL H 1 20 VAL MG1 4.500 . 4.500 2.486 2.185 3.209 . 0 0 "[ . 1 . 2 . ]" 1
15 1 20 VAL H 1 20 VAL MG2 3.900 . 3.900 1.995 1.844 2.192 . 0 0 "[ . 1 . 2 . ]" 1
16 1 22 VAL H 1 22 VAL MG2 4.500 . 4.500 2.868 2.525 3.828 . 0 0 "[ . 1 . 2 . ]" 1
17 1 22 VAL HA 1 22 VAL MG1 3.700 . 3.700 2.385 2.091 3.055 . 0 0 "[ . 1 . 2 . ]" 1
18 1 22 VAL HA 1 22 VAL MG2 3.700 . 3.700 2.544 2.025 3.120 . 0 0 "[ . 1 . 2 . ]" 1
19 1 2 GLU HA 1 3 ALA H 3.500 . 3.500 3.184 2.160 3.581 0.081 17 0 "[ . 1 . 2 . ]" 1
20 1 3 ALA HA 1 4 GLY H 2.900 . 2.900 2.301 2.178 2.503 . 0 0 "[ . 1 . 2 . ]" 1
21 1 4 GLY HA3 1 5 ALA H 2.900 . 2.900 2.698 2.437 3.435 0.535 18 1 "[ . 1 . + 2 . ]" 1
22 1 4 GLY HA2 1 5 ALA H 3.500 . 3.500 2.517 2.244 2.774 . 0 0 "[ . 1 . 2 . ]" 1
23 1 5 ALA HA 1 6 VAL H 2.900 . 2.900 2.254 2.116 2.349 . 0 0 "[ . 1 . 2 . ]" 1
24 1 6 VAL HA 1 7 ASN H 3.500 . 3.500 2.311 2.232 2.448 . 0 0 "[ . 1 . 2 . ]" 1
25 1 7 ASN HA 1 8 ASP H 3.500 . 3.500 2.494 2.395 2.630 . 0 0 "[ . 1 . 2 . ]" 1
26 1 8 ASP HA 1 9 ASP H 3.500 . 3.500 3.466 1.854 3.559 0.059 5 0 "[ . 1 . 2 . ]" 1
27 1 9 ASP HA 1 10 THR H 5.000 . 5.000 3.581 3.508 3.642 . 0 0 "[ . 1 . 2 . ]" 1
28 1 10 THR HA 1 11 PHE H 5.000 . 5.000 3.523 3.488 3.555 . 0 0 "[ . 1 . 2 . ]" 1
29 1 11 PHE HA 1 12 LYS H 5.000 . 5.000 3.495 3.459 3.530 . 0 0 "[ . 1 . 2 . ]" 1
30 1 12 LYS HA 1 13 ASN H 5.000 . 5.000 3.582 3.544 3.620 . 0 0 "[ . 1 . 2 . ]" 1
31 1 13 ASN HA 1 14 VAL H 5.000 . 5.000 3.507 3.466 3.553 . 0 0 "[ . 1 . 2 . ]" 1
32 1 14 VAL HA 1 15 VAL H 5.000 . 5.000 3.545 3.467 3.593 . 0 0 "[ . 1 . 2 . ]" 1
33 1 15 VAL HA 1 16 LEU H 5.000 . 5.000 3.624 3.590 3.662 . 0 0 "[ . 1 . 2 . ]" 1
34 1 16 LEU HA 1 17 GLU H 5.000 . 5.000 3.590 3.510 3.646 . 0 0 "[ . 1 . 2 . ]" 1
35 1 17 GLU HA 1 18 SER H 3.500 . 3.500 2.904 2.563 3.459 . 0 0 "[ . 1 . 2 . ]" 1
36 1 19 SER HA 1 20 VAL H 5.000 . 5.000 3.533 3.501 3.570 . 0 0 "[ . 1 . 2 . ]" 1
37 1 20 VAL HA 1 21 PRO HD2 2.900 . 2.900 2.860 2.590 3.088 0.188 18 0 "[ . 1 . 2 . ]" 1
38 1 20 VAL HA 1 21 PRO HD3 2.900 . 2.900 2.255 2.087 2.646 . 0 0 "[ . 1 . 2 . ]" 1
39 1 21 PRO HA 1 22 VAL H 2.900 . 2.900 2.349 2.226 2.429 . 0 0 "[ . 1 . 2 . ]" 1
40 1 22 VAL HA 1 23 LEU H 2.900 . 2.900 2.214 2.102 2.324 . 0 0 "[ . 1 . 2 . ]" 1
41 1 23 LEU HA 1 24 VAL H 2.900 . 2.900 2.244 2.151 2.339 . 0 0 "[ . 1 . 2 . ]" 1
42 1 24 VAL HA 1 25 ASP H 2.900 . 2.900 2.192 2.109 2.278 . 0 0 "[ . 1 . 2 . ]" 1
43 1 26 PHE HA 1 27 TRP H 2.900 . 2.900 2.188 2.142 2.213 . 0 0 "[ . 1 . 2 . ]" 1
44 1 27 TRP HA 1 28 ALA H 3.500 . 3.500 2.610 2.506 2.679 . 0 0 "[ . 1 . 2 . ]" 1
45 1 28 ALA HA 1 29 PRO QD 2.900 . 2.900 2.182 2.056 2.358 . 0 0 "[ . 1 . 2 . ]" 1
46 1 29 PRO HA 1 30 TRP H 5.000 . 5.000 3.471 2.037 3.623 . 0 0 "[ . 1 . 2 . ]" 1
47 1 30 TRP HA 1 31 CYS H 5.000 . 5.000 3.457 3.374 3.499 . 0 0 "[ . 1 . 2 . ]" 1
48 1 33 PRO HA 1 34 CYS H 3.500 . 3.500 3.550 3.513 3.593 0.093 25 0 "[ . 1 . 2 . ]" 1
49 1 34 CYS HA 1 35 ARG H 5.000 . 5.000 3.581 3.535 3.646 . 0 0 "[ . 1 . 2 . ]" 1
50 1 35 ARG HA 1 36 ILE H 5.000 . 5.000 3.591 3.529 3.640 . 0 0 "[ . 1 . 2 . ]" 1
51 1 36 ILE HA 1 37 ILE H 5.000 . 5.000 3.559 3.441 3.638 . 0 0 "[ . 1 . 2 . ]" 1
52 1 37 ILE HA 1 38 ALA H 5.000 . 5.000 3.550 3.504 3.635 . 0 0 "[ . 1 . 2 . ]" 1
53 1 39 PRO HA 1 40 VAL H 5.000 . 5.000 3.536 3.488 3.618 . 0 0 "[ . 1 . 2 . ]" 1
54 1 40 VAL HA 1 41 VAL H 5.000 . 5.000 3.586 3.558 3.610 . 0 0 "[ . 1 . 2 . ]" 1
55 1 41 VAL HA 1 42 ASP H 5.000 . 5.000 3.578 3.545 3.601 . 0 0 "[ . 1 . 2 . ]" 1
56 1 42 ASP HA 1 43 GLU H 5.000 . 5.000 3.646 3.573 3.710 . 0 0 "[ . 1 . 2 . ]" 1
57 1 43 GLU HA 1 44 ILE H 5.000 . 5.000 3.594 3.530 3.636 . 0 0 "[ . 1 . 2 . ]" 1
58 1 44 ILE HA 1 45 ALA H 5.000 . 5.000 3.595 3.538 3.627 . 0 0 "[ . 1 . 2 . ]" 1
59 1 45 ALA HA 1 46 GLY H 5.000 . 5.000 3.588 3.523 3.655 . 0 0 "[ . 1 . 2 . ]" 1
60 1 46 GLY QA 1 47 GLU H 4.500 . 4.500 2.658 2.448 2.886 . 0 0 "[ . 1 . 2 . ]" 1
61 1 47 GLU HA 1 48 TYR H 3.500 . 3.500 3.563 3.524 3.593 0.093 11 0 "[ . 1 . 2 . ]" 1
62 1 48 TYR HA 1 49 LYS H 3.500 . 3.500 2.945 2.380 3.418 . 0 0 "[ . 1 . 2 . ]" 1
63 1 49 LYS HA 1 50 ASP H 3.500 . 3.500 3.031 2.218 3.554 0.054 6 0 "[ . 1 . 2 . ]" 1
64 1 50 ASP HA 1 51 LYS H 3.500 . 3.500 3.420 1.934 3.576 0.076 28 0 "[ . 1 . 2 . ]" 1
65 1 51 LYS HA 1 52 LEU H 3.500 . 3.500 3.364 1.802 3.610 0.110 4 0 "[ . 1 . 2 . ]" 1
66 1 52 LEU HA 1 53 LYS H 3.500 . 3.500 2.234 2.050 2.381 . 0 0 "[ . 1 . 2 . ]" 1
67 1 53 LYS HA 1 54 CYS H 2.900 . 2.900 2.367 2.177 2.613 . 0 0 "[ . 1 . 2 . ]" 1
68 1 54 CYS HA 1 55 VAL H 2.900 . 2.900 2.232 1.932 2.399 . 0 0 "[ . 1 . 2 . ]" 1
69 1 55 VAL HA 1 56 LYS H 2.900 . 2.900 2.381 2.234 2.547 . 0 0 "[ . 1 . 2 . ]" 1
70 1 56 LYS HA 1 57 LEU H 2.900 . 2.900 2.166 2.077 2.260 . 0 0 "[ . 1 . 2 . ]" 1
71 1 57 LEU HA 1 58 ASN H 2.900 . 2.900 2.155 2.099 2.217 . 0 0 "[ . 1 . 2 . ]" 1
72 1 58 ASN HA 1 59 THR H 2.900 . 2.900 2.088 2.017 2.218 . 0 0 "[ . 1 . 2 . ]" 1
73 1 59 THR HA 1 60 ASP H 5.000 . 5.000 3.346 2.631 3.548 . 0 0 "[ . 1 . 2 . ]" 1
74 1 60 ASP HA 1 61 GLU H 5.000 . 5.000 3.510 3.488 3.560 . 0 0 "[ . 1 . 2 . ]" 1
75 1 61 GLU HA 1 62 SER H 5.000 . 5.000 3.523 3.444 3.567 . 0 0 "[ . 1 . 2 . ]" 1
76 1 62 SER HA 1 63 PRO HD2 2.900 . 2.900 2.287 2.137 2.463 . 0 0 "[ . 1 . 2 . ]" 1
77 1 62 SER HA 1 63 PRO HD3 3.500 . 3.500 3.269 2.998 3.451 . 0 0 "[ . 1 . 2 . ]" 1
78 1 63 PRO HA 1 64 ASN H 5.000 . 5.000 3.464 3.382 3.515 . 0 0 "[ . 1 . 2 . ]" 1
79 1 64 ASN HA 1 65 VAL H 5.000 . 5.000 3.552 3.513 3.615 . 0 0 "[ . 1 . 2 . ]" 1
80 1 65 VAL HA 1 66 ALA H 3.500 . 3.500 3.532 3.505 3.559 0.059 13 0 "[ . 1 . 2 . ]" 1
81 1 66 ALA HA 1 67 SER H 5.000 . 5.000 3.578 3.536 3.612 . 0 0 "[ . 1 . 2 . ]" 1
82 1 67 SER HA 1 68 GLU H 3.500 . 3.500 3.561 3.552 3.579 0.079 4 0 "[ . 1 . 2 . ]" 1
83 1 68 GLU HA 1 69 TYR H 5.000 . 5.000 3.585 3.541 3.612 . 0 0 "[ . 1 . 2 . ]" 1
84 1 69 TYR HA 1 70 GLY H 5.000 . 5.000 3.549 3.504 3.581 . 0 0 "[ . 1 . 2 . ]" 1
85 1 70 GLY HA3 1 71 ILE H 5.000 . 5.000 3.580 3.516 3.629 . 0 0 "[ . 1 . 2 . ]" 1
86 1 70 GLY HA2 1 71 ILE H 5.000 . 5.000 2.709 2.541 2.954 . 0 0 "[ . 1 . 2 . ]" 1
87 1 71 ILE HA 1 72 ARG H 3.500 . 3.500 2.266 2.101 2.725 . 0 0 "[ . 1 . 2 . ]" 1
88 1 72 ARG HA 1 73 SER H 5.000 . 5.000 3.316 2.303 3.649 . 0 0 "[ . 1 . 2 . ]" 1
89 1 73 SER HA 1 74 ILE H 3.500 . 3.500 2.524 2.313 2.911 . 0 0 "[ . 1 . 2 . ]" 1
90 1 74 ILE HA 1 75 PRO HA 2.900 . 2.900 2.692 2.480 2.906 0.006 6 0 "[ . 1 . 2 . ]" 1
91 1 75 PRO HA 1 76 THR H 2.900 . 2.900 2.151 2.020 2.364 . 0 0 "[ . 1 . 2 . ]" 1
92 1 76 THR HA 1 77 ILE H 2.900 . 2.900 2.131 1.926 2.218 . 0 0 "[ . 1 . 2 . ]" 1
93 1 77 ILE HA 1 78 MET H 2.900 . 2.900 2.249 2.116 3.033 0.133 18 0 "[ . 1 . 2 . ]" 1
94 1 78 MET HA 1 79 VAL H 2.900 . 2.900 2.181 2.098 2.308 . 0 0 "[ . 1 . 2 . ]" 1
95 1 80 PHE HA 1 81 LYS H 2.900 . 2.900 2.261 2.117 2.371 . 0 0 "[ . 1 . 2 . ]" 1
96 1 81 LYS HA 1 82 GLY H 3.500 . 3.500 2.727 2.192 3.497 . 0 0 "[ . 1 . 2 . ]" 1
97 1 82 GLY HA3 1 83 GLY H 5.000 . 5.000 3.448 2.359 3.624 . 0 0 "[ . 1 . 2 . ]" 1
98 1 82 GLY HA2 1 83 GLY H 5.000 . 5.000 2.586 2.133 2.970 . 0 0 "[ . 1 . 2 . ]" 1
99 1 83 GLY HA3 1 84 LYS H 3.500 . 3.500 2.884 2.457 3.560 0.060 24 0 "[ . 1 . 2 . ]" 1
100 1 83 GLY HA2 1 84 LYS H 3.500 . 3.500 3.444 2.876 3.573 0.073 9 0 "[ . 1 . 2 . ]" 1
101 1 84 LYS HA 1 85 LYS H 2.900 . 2.900 2.367 2.209 2.533 . 0 0 "[ . 1 . 2 . ]" 1
102 1 85 LYS HA 1 86 CYS H 2.900 . 2.900 2.285 2.166 2.547 . 0 0 "[ . 1 . 2 . ]" 1
103 1 86 CYS HA 1 87 GLU H 5.000 . 5.000 3.576 3.541 3.638 . 0 0 "[ . 1 . 2 . ]" 1
104 1 87 GLU HA 1 88 THR H 2.900 . 2.900 2.521 2.201 2.867 . 0 0 "[ . 1 . 2 . ]" 1
105 1 88 THR HA 1 89 ILE H 2.900 . 2.900 2.310 2.147 2.552 . 0 0 "[ . 1 . 2 . ]" 1
106 1 89 ILE HA 1 90 ILE H 2.900 . 2.900 2.339 2.102 2.796 . 0 0 "[ . 1 . 2 . ]" 1
107 1 90 ILE HA 1 91 GLY H 2.900 . 2.900 2.248 2.131 2.383 . 0 0 "[ . 1 . 2 . ]" 1
108 1 91 GLY HA3 1 92 ALA H 3.500 . 3.500 2.680 2.258 3.263 . 0 0 "[ . 1 . 2 . ]" 1
109 1 91 GLY HA2 1 92 ALA H 3.500 . 3.500 2.664 2.263 3.562 0.062 25 0 "[ . 1 . 2 . ]" 1
110 1 92 ALA HA 1 93 VAL H 3.500 . 3.500 2.653 2.204 3.568 0.068 21 0 "[ . 1 . 2 . ]" 1
111 1 93 VAL HA 1 94 PRO HD3 3.300 . 3.300 2.138 2.023 2.391 . 0 0 "[ . 1 . 2 . ]" 1
112 1 93 VAL HA 1 94 PRO HD2 3.300 . 3.300 2.967 2.597 3.257 . 0 0 "[ . 1 . 2 . ]" 1
113 1 94 PRO HA 1 95 LYS H 3.500 . 3.500 2.269 2.175 2.345 . 0 0 "[ . 1 . 2 . ]" 1
114 1 95 LYS HA 1 96 ALA H 5.000 . 5.000 3.527 3.432 3.596 . 0 0 "[ . 1 . 2 . ]" 1
115 1 96 ALA HA 1 97 THR H 5.000 . 5.000 3.608 3.559 3.641 . 0 0 "[ . 1 . 2 . ]" 1
116 1 97 THR HA 1 98 ILE H 5.000 . 5.000 3.591 3.548 3.624 . 0 0 "[ . 1 . 2 . ]" 1
117 1 99 VAL HA 1 100 GLN H 5.000 . 5.000 3.626 3.595 3.656 . 0 0 "[ . 1 . 2 . ]" 1
118 1 100 GLN HA 1 101 THR H 5.000 . 5.000 3.563 3.478 3.595 . 0 0 "[ . 1 . 2 . ]" 1
119 1 101 THR HA 1 102 VAL H 5.000 . 5.000 3.626 3.581 3.679 . 0 0 "[ . 1 . 2 . ]" 1
120 1 102 VAL HA 1 103 GLU H 3.500 . 3.500 3.560 3.503 3.586 0.086 3 0 "[ . 1 . 2 . ]" 1
121 1 104 LYS HA 1 105 TYR H 5.000 . 5.000 3.567 3.514 3.625 . 0 0 "[ . 1 . 2 . ]" 1
122 1 105 TYR HA 1 106 LEU H 5.000 . 5.000 3.460 2.682 3.604 . 0 0 "[ . 1 . 2 . ]" 1
123 1 106 LEU HA 1 107 ASN H 3.500 . 3.500 3.037 2.038 3.602 0.102 21 0 "[ . 1 . 2 . ]" 1
124 1 7 ASN H 1 8 ASP H 5.000 . 5.000 4.251 4.173 4.312 . 0 0 "[ . 1 . 2 . ]" 1
125 1 8 ASP H 1 9 ASP H 3.500 . 3.500 3.094 2.892 3.554 0.054 26 0 "[ . 1 . 2 . ]" 1
126 1 9 ASP H 1 10 THR H 3.500 . 3.500 3.048 2.876 3.158 . 0 0 "[ . 1 . 2 . ]" 1
127 1 10 THR H 1 11 PHE H 3.500 . 3.500 2.743 2.383 2.964 . 0 0 "[ . 1 . 2 . ]" 1
128 1 11 PHE H 1 12 LYS H 5.000 . 5.000 2.894 2.784 2.996 . 0 0 "[ . 1 . 2 . ]" 1
129 1 12 LYS H 1 13 ASN H 3.500 . 3.500 2.978 2.778 3.245 . 0 0 "[ . 1 . 2 . ]" 1
130 1 13 ASN H 1 14 VAL H 3.500 . 3.500 2.469 2.136 2.726 . 0 0 "[ . 1 . 2 . ]" 1
131 1 14 VAL H 1 15 VAL H 3.500 . 3.500 2.623 2.402 2.748 . 0 0 "[ . 1 . 2 . ]" 1
132 1 15 VAL H 1 16 LEU H 3.500 . 3.500 2.428 2.129 2.627 . 0 0 "[ . 1 . 2 . ]" 1
133 1 16 LEU H 1 17 GLU H 3.500 . 3.500 2.888 2.755 3.073 . 0 0 "[ . 1 . 2 . ]" 1
134 1 17 GLU H 1 18 SER H 3.500 . 3.500 3.284 2.661 3.538 0.038 10 0 "[ . 1 . 2 . ]" 1
135 1 28 ALA H 1 29 PRO QD 5.000 . 5.000 4.192 4.036 4.279 . 0 0 "[ . 1 . 2 . ]" 1
136 1 34 CYS H 1 35 ARG H 3.500 . 3.500 2.522 2.211 2.940 . 0 0 "[ . 1 . 2 . ]" 1
137 1 35 ARG H 1 36 ILE H 3.500 . 3.500 2.894 2.539 3.074 . 0 0 "[ . 1 . 2 . ]" 1
138 1 36 ILE H 1 37 ILE H 3.500 . 3.500 2.740 2.416 2.927 . 0 0 "[ . 1 . 2 . ]" 1
139 1 37 ILE H 1 38 ALA H 3.500 . 3.500 2.475 2.176 2.764 . 0 0 "[ . 1 . 2 . ]" 1
140 1 38 ALA H 1 39 PRO HD2 3.500 . 3.500 3.531 3.187 3.647 0.147 6 0 "[ . 1 . 2 . ]" 1
141 1 38 ALA H 1 39 PRO HD3 3.500 . 3.500 2.938 2.635 3.515 0.015 9 0 "[ . 1 . 2 . ]" 1
142 1 39 PRO HD2 1 40 VAL H 3.500 . 3.500 2.105 1.897 2.295 . 0 0 "[ . 1 . 2 . ]" 1
143 1 39 PRO HD3 1 40 VAL H 3.500 . 3.500 3.529 3.247 3.675 0.175 8 0 "[ . 1 . 2 . ]" 1
144 1 40 VAL H 1 41 VAL H 3.500 . 3.500 2.444 2.352 2.568 . 0 0 "[ . 1 . 2 . ]" 1
145 1 41 VAL H 1 42 ASP H 3.500 . 3.500 2.754 2.657 2.854 . 0 0 "[ . 1 . 2 . ]" 1
146 1 42 ASP H 1 43 GLU H 3.500 . 3.500 2.972 2.774 3.100 . 0 0 "[ . 1 . 2 . ]" 1
147 1 43 GLU H 1 44 ILE H 3.500 . 3.500 2.849 2.636 3.029 . 0 0 "[ . 1 . 2 . ]" 1
148 1 44 ILE H 1 45 ALA H 3.500 . 3.500 2.783 2.591 2.934 . 0 0 "[ . 1 . 2 . ]" 1
149 1 45 ALA H 1 46 GLY H 3.500 . 3.500 2.735 2.515 2.893 . 0 0 "[ . 1 . 2 . ]" 1
150 1 46 GLY H 1 47 GLU H 3.500 . 3.500 2.751 2.320 3.030 . 0 0 "[ . 1 . 2 . ]" 1
151 1 47 GLU H 1 48 TYR H 3.500 . 3.500 2.853 2.487 3.080 . 0 0 "[ . 1 . 2 . ]" 1
152 1 48 TYR H 1 49 LYS H 3.500 . 3.500 2.912 2.328 3.538 0.038 14 0 "[ . 1 . 2 . ]" 1
153 1 49 LYS H 1 50 ASP H 5.000 . 5.000 3.609 2.130 4.648 . 0 0 "[ . 1 . 2 . ]" 1
154 1 50 ASP H 1 51 LYS H 3.500 . 3.500 3.269 2.772 3.632 0.132 14 0 "[ . 1 . 2 . ]" 1
155 1 51 LYS H 1 52 LEU H 3.500 . 3.500 2.592 1.977 3.879 0.379 14 0 "[ . 1 . 2 . ]" 1
156 1 52 LEU H 1 53 LYS H 5.000 . 5.000 4.312 4.101 4.617 . 0 0 "[ . 1 . 2 . ]" 1
157 1 54 CYS H 1 55 VAL H 5.000 . 5.000 4.458 4.113 4.711 . 0 0 "[ . 1 . 2 . ]" 1
158 1 55 VAL H 1 56 LYS H 5.000 . 5.000 4.380 4.299 4.461 . 0 0 "[ . 1 . 2 . ]" 1
159 1 59 THR H 1 60 ASP H 3.500 . 3.500 2.757 2.508 3.347 . 0 0 "[ . 1 . 2 . ]" 1
160 1 60 ASP H 1 61 GLU H 3.500 . 3.500 2.271 1.829 2.436 . 0 0 "[ . 1 . 2 . ]" 1
161 1 61 GLU H 1 62 SER H 3.500 . 3.500 2.431 2.330 2.513 . 0 0 "[ . 1 . 2 . ]" 1
162 1 62 SER H 1 63 PRO HD2 3.500 . 3.500 3.567 3.522 3.636 0.136 23 0 "[ . 1 . 2 . ]" 1
163 1 62 SER H 1 63 PRO HD3 3.500 . 3.500 2.829 2.565 2.938 . 0 0 "[ . 1 . 2 . ]" 1
164 1 63 PRO HD2 1 64 ASN H 5.000 . 5.000 2.500 2.277 2.870 . 0 0 "[ . 1 . 2 . ]" 1
165 1 63 PRO HD3 1 64 ASN H 5.000 . 5.000 3.616 3.417 3.909 . 0 0 "[ . 1 . 2 . ]" 1
166 1 64 ASN H 1 65 VAL H 3.500 . 3.500 3.199 2.912 3.515 0.015 1 0 "[ . 1 . 2 . ]" 1
167 1 65 VAL H 1 66 ALA H 3.500 . 3.500 2.748 2.614 2.877 . 0 0 "[ . 1 . 2 . ]" 1
168 1 66 ALA H 1 67 SER H 3.500 . 3.500 2.860 2.595 3.023 . 0 0 "[ . 1 . 2 . ]" 1
169 1 67 SER H 1 68 GLU H 3.500 . 3.500 2.567 2.372 2.704 . 0 0 "[ . 1 . 2 . ]" 1
170 1 68 GLU H 1 69 TYR H 3.500 . 3.500 2.810 2.680 2.916 . 0 0 "[ . 1 . 2 . ]" 1
171 1 69 TYR H 1 70 GLY H 5.000 . 5.000 2.520 2.446 2.628 . 0 0 "[ . 1 . 2 . ]" 1
172 1 70 GLY H 1 71 ILE H 3.500 . 3.500 2.327 2.151 2.525 . 0 0 "[ . 1 . 2 . ]" 1
173 1 72 ARG H 1 73 SER H 5.000 . 5.000 2.837 2.279 3.858 . 0 0 "[ . 1 . 2 . ]" 1
174 1 86 CYS H 1 87 GLU H 5.000 . 5.000 2.329 2.005 2.775 . 0 0 "[ . 1 . 2 . ]" 1
175 1 91 GLY H 1 92 ALA H 5.000 . 5.000 4.193 2.870 4.518 . 0 0 "[ . 1 . 2 . ]" 1
176 1 92 ALA H 1 93 VAL H 5.000 . 5.000 3.781 2.748 4.700 . 0 0 "[ . 1 . 2 . ]" 1
177 1 96 ALA H 1 97 THR H 3.500 . 3.500 2.938 2.784 3.094 . 0 0 "[ . 1 . 2 . ]" 1
178 1 98 ILE H 1 99 VAL H 3.500 . 3.500 2.806 2.608 2.977 . 0 0 "[ . 1 . 2 . ]" 1
179 1 99 VAL H 1 100 GLN H 3.500 . 3.500 2.951 2.771 3.091 . 0 0 "[ . 1 . 2 . ]" 1
180 1 100 GLN H 1 101 THR H 3.500 . 3.500 2.823 2.648 2.896 . 0 0 "[ . 1 . 2 . ]" 1
181 1 101 THR H 1 102 VAL H 3.500 . 3.500 2.838 2.715 2.975 . 0 0 "[ . 1 . 2 . ]" 1
182 1 103 GLU H 1 104 LYS H 3.500 . 3.500 2.890 2.729 3.103 . 0 0 "[ . 1 . 2 . ]" 1
183 1 104 LYS H 1 105 TYR H 3.500 . 3.500 2.885 2.634 2.996 . 0 0 "[ . 1 . 2 . ]" 1
184 1 105 TYR H 1 106 LEU H 3.500 . 3.500 2.540 2.193 3.395 . 0 0 "[ . 1 . 2 . ]" 1
185 1 106 LEU H 1 107 ASN H 3.500 . 3.500 3.149 1.984 3.652 0.152 3 0 "[ . 1 . 2 . ]" 1
186 1 3 ALA MB 1 4 GLY H 4.500 . 4.500 3.133 2.551 3.745 . 0 0 "[ . 1 . 2 . ]" 1
187 1 5 ALA MB 1 6 VAL H 3.900 . 3.900 3.111 2.820 3.434 . 0 0 "[ . 1 . 2 . ]" 1
188 1 6 VAL HB 1 7 ASN H 3.500 . 3.500 2.321 2.117 2.537 . 0 0 "[ . 1 . 2 . ]" 1
189 1 7 ASN HB3 1 8 ASP H 3.500 . 3.500 3.055 2.174 3.725 0.225 20 0 "[ . 1 . 2 . ]" 1
190 1 7 ASN HB2 1 8 ASP H 3.500 . 3.500 3.590 3.514 3.686 0.186 27 0 "[ . 1 . 2 . ]" 1
191 1 8 ASP HB3 1 9 ASP H 3.500 . 3.500 2.569 2.106 3.889 0.389 26 0 "[ . 1 . 2 . ]" 1
192 1 8 ASP HB2 1 9 ASP H 3.500 . 3.500 3.458 2.469 3.671 0.171 26 0 "[ . 1 . 2 . ]" 1
193 1 9 ASP HB3 1 10 THR H 3.500 . 3.500 2.419 2.011 3.608 0.108 8 0 "[ . 1 . 2 . ]" 1
194 1 9 ASP HB2 1 10 THR H 3.500 . 3.500 3.315 2.287 3.611 0.111 7 0 "[ . 1 . 2 . ]" 1
195 1 10 THR HB 1 11 PHE H 5.000 . 5.000 3.601 3.296 3.734 . 0 0 "[ . 1 . 2 . ]" 1
196 1 11 PHE HB3 1 12 LYS H 3.500 . 3.500 2.312 2.247 2.441 . 0 0 "[ . 1 . 2 . ]" 1
197 1 11 PHE HB2 1 12 LYS H 3.500 . 3.500 3.623 3.571 3.701 0.201 2 0 "[ . 1 . 2 . ]" 1
198 1 12 LYS HB3 1 13 ASN H 3.500 . 3.500 3.271 2.921 3.557 0.057 10 0 "[ . 1 . 2 . ]" 1
199 1 12 LYS HB2 1 13 ASN H 3.500 . 3.500 2.336 1.995 2.769 . 0 0 "[ . 1 . 2 . ]" 1
200 1 13 ASN HB3 1 14 VAL H 3.500 . 3.500 3.165 2.168 3.869 0.369 14 0 "[ . 1 . 2 . ]" 1
201 1 13 ASN HB2 1 14 VAL H 5.000 . 5.000 2.719 2.186 3.639 . 0 0 "[ . 1 . 2 . ]" 1
202 1 14 VAL HB 1 15 VAL H 3.500 . 3.500 2.924 2.482 3.620 0.120 6 0 "[ . 1 . 2 . ]" 1
203 1 15 VAL HB 1 16 LEU H 3.500 . 3.500 2.296 2.059 2.550 . 0 0 "[ . 1 . 2 . ]" 1
204 1 16 LEU HB2 1 17 GLU H 2.900 . 2.900 2.309 2.061 2.652 . 0 0 "[ . 1 . 2 . ]" 1
205 1 16 LEU HB3 1 17 GLU H 3.500 . 3.500 3.319 2.964 3.621 0.121 27 0 "[ . 1 . 2 . ]" 1
206 1 17 GLU QB 1 18 SER H 5.000 . 5.000 3.840 3.250 4.038 . 0 0 "[ . 1 . 2 . ]" 1
207 1 20 VAL HB 1 21 PRO HD2 3.500 . 3.500 2.334 2.114 2.544 . 0 0 "[ . 1 . 2 . ]" 1
208 1 20 VAL HB 1 21 PRO HD3 3.500 . 3.500 3.317 2.857 3.566 0.066 19 0 "[ . 1 . 2 . ]" 1
209 1 21 PRO HB2 1 22 VAL H 3.500 . 3.500 3.151 2.599 3.438 . 0 0 "[ . 1 . 2 . ]" 1
210 1 21 PRO HB3 1 22 VAL H 3.500 . 3.500 2.939 2.587 3.572 0.072 17 0 "[ . 1 . 2 . ]" 1
211 1 23 LEU QB 1 24 VAL H 5.000 . 5.000 3.975 3.562 4.090 . 0 0 "[ . 1 . 2 . ]" 1
212 1 24 VAL HB 1 25 ASP H 5.000 . 5.000 4.078 2.785 4.532 . 0 0 "[ . 1 . 2 . ]" 1
213 1 26 PHE HB3 1 27 TRP H 5.000 . 5.000 3.654 3.524 3.801 . 0 0 "[ . 1 . 2 . ]" 1
214 1 26 PHE HB2 1 27 TRP H 5.000 . 5.000 4.461 4.389 4.509 . 0 0 "[ . 1 . 2 . ]" 1
215 1 27 TRP HB3 1 28 ALA H 3.500 . 3.500 3.577 3.544 3.611 0.111 7 0 "[ . 1 . 2 . ]" 1
216 1 27 TRP HB2 1 28 ALA H 3.500 . 3.500 2.064 2.020 2.121 . 0 0 "[ . 1 . 2 . ]" 1
217 1 28 ALA MB 1 29 PRO QD 4.500 . 4.500 2.288 2.091 2.532 . 0 0 "[ . 1 . 2 . ]" 1
218 1 29 PRO HB2 1 30 TRP H 3.500 . 3.500 3.163 2.181 3.618 0.118 7 0 "[ . 1 . 2 . ]" 1
219 1 29 PRO HB3 1 30 TRP H 5.000 . 5.000 4.088 3.507 4.338 . 0 0 "[ . 1 . 2 . ]" 1
220 1 34 CYS HB3 1 35 ARG H 5.000 . 5.000 3.618 3.421 3.743 . 0 0 "[ . 1 . 2 . ]" 1
221 1 34 CYS HB2 1 35 ARG H 5.000 . 5.000 2.406 2.150 2.657 . 0 0 "[ . 1 . 2 . ]" 1
222 1 35 ARG HB3 1 36 ILE H 3.500 . 3.500 2.820 2.250 3.548 0.048 6 0 "[ . 1 . 2 . ]" 1
223 1 35 ARG HB2 1 36 ILE H 3.500 . 3.500 3.126 2.322 3.661 0.161 3 0 "[ . 1 . 2 . ]" 1
224 1 36 ILE HB 1 37 ILE H 5.000 . 5.000 4.088 3.840 4.256 . 0 0 "[ . 1 . 2 . ]" 1
225 1 37 ILE HB 1 38 ALA H 5.000 . 5.000 3.517 2.813 4.113 . 0 0 "[ . 1 . 2 . ]" 1
226 1 38 ALA MB 1 39 PRO HD2 6.000 . 6.000 3.557 3.210 3.689 . 0 0 "[ . 1 . 2 . ]" 1
227 1 38 ALA MB 1 39 PRO HD3 6.000 . 6.000 2.196 2.123 2.324 . 0 0 "[ . 1 . 2 . ]" 1
228 1 39 PRO HB3 1 40 VAL H 5.000 . 5.000 4.158 4.079 4.261 . 0 0 "[ . 1 . 2 . ]" 1
229 1 39 PRO HB2 1 40 VAL H 5.000 . 5.000 2.927 2.768 3.694 . 0 0 "[ . 1 . 2 . ]" 1
230 1 40 VAL HB 1 41 VAL H 3.500 . 3.500 2.774 2.337 3.551 0.051 8 0 "[ . 1 . 2 . ]" 1
231 1 41 VAL HB 1 42 ASP H 3.500 . 3.500 2.641 2.332 3.611 0.111 17 0 "[ . 1 . 2 . ]" 1
232 1 42 ASP QB 1 43 GLU H 3.500 . 3.500 2.359 2.175 2.554 . 0 0 "[ . 1 . 2 . ]" 1
233 1 43 GLU HB2 1 44 ILE H 5.000 . 5.000 4.005 3.683 4.144 . 0 0 "[ . 1 . 2 . ]" 1
234 1 43 GLU HB3 1 44 ILE H 5.000 . 5.000 3.770 2.217 4.295 . 0 0 "[ . 1 . 2 . ]" 1
235 1 44 ILE HB 1 45 ALA H 3.500 . 3.500 2.853 2.478 3.365 . 0 0 "[ . 1 . 2 . ]" 1
236 1 45 ALA MB 1 46 GLY H 6.000 . 6.000 2.529 2.292 2.866 . 0 0 "[ . 1 . 2 . ]" 1
237 1 47 GLU HB3 1 48 TYR H 3.500 . 3.500 3.454 3.087 3.591 0.091 13 0 "[ . 1 . 2 . ]" 1
238 1 47 GLU HB2 1 48 TYR H 3.500 . 3.500 2.472 2.143 2.832 . 0 0 "[ . 1 . 2 . ]" 1
239 1 48 TYR HB3 1 49 LYS H 5.000 . 5.000 4.400 4.062 4.563 . 0 0 "[ . 1 . 2 . ]" 1
240 1 48 TYR HB2 1 49 LYS H 5.000 . 5.000 4.065 3.456 4.481 . 0 0 "[ . 1 . 2 . ]" 1
241 1 49 LYS HB3 1 50 ASP H 3.500 . 3.500 3.205 2.038 4.048 0.548 11 1 "[ . 1+ . 2 . ]" 1
242 1 49 LYS HB2 1 50 ASP H 5.000 . 5.000 3.193 2.149 4.140 . 0 0 "[ . 1 . 2 . ]" 1
243 1 50 ASP QB 1 51 LYS H 3.500 . 3.500 2.407 1.859 3.319 . 0 0 "[ . 1 . 2 . ]" 1
244 1 51 LYS QB 1 52 LEU H 5.000 . 5.000 2.821 2.240 3.805 . 0 0 "[ . 1 . 2 . ]" 1
245 1 52 LEU QB 1 53 LYS H 5.000 . 5.000 3.665 2.238 4.057 . 0 0 "[ . 1 . 2 . ]" 1
246 1 53 LYS QB 1 54 CYS H 5.000 . 5.000 3.721 2.643 4.168 . 0 0 "[ . 1 . 2 . ]" 1
247 1 54 CYS HB2 1 55 VAL H 5.000 . 5.000 4.210 3.826 4.483 . 0 0 "[ . 1 . 2 . ]" 1
248 1 54 CYS HB3 1 55 VAL H 5.000 . 5.000 4.057 3.078 4.358 . 0 0 "[ . 1 . 2 . ]" 1
249 1 55 VAL HB 1 56 LYS H 3.500 . 3.500 2.808 2.227 3.538 0.038 18 0 "[ . 1 . 2 . ]" 1
250 1 56 LYS QB 1 57 LEU H 4.500 . 4.500 3.513 3.010 3.730 . 0 0 "[ . 1 . 2 . ]" 1
251 1 57 LEU HB2 1 58 ASN H 5.000 . 5.000 4.231 3.017 4.466 . 0 0 "[ . 1 . 2 . ]" 1
252 1 57 LEU HB3 1 58 ASN H 5.000 . 5.000 4.353 4.187 4.530 . 0 0 "[ . 1 . 2 . ]" 1
253 1 60 ASP HB3 1 61 GLU H 3.500 . 3.500 2.548 2.326 2.752 . 0 0 "[ . 1 . 2 . ]" 1
254 1 60 ASP HB2 1 61 GLU H 5.000 . 5.000 3.635 3.464 4.022 . 0 0 "[ . 1 . 2 . ]" 1
255 1 61 GLU QB 1 62 SER H 3.500 . 3.500 2.861 2.675 3.430 . 0 0 "[ . 1 . 2 . ]" 1
256 1 62 SER QB 1 63 PRO HD2 5.000 . 5.000 4.158 4.062 4.258 . 0 0 "[ . 1 . 2 . ]" 1
257 1 62 SER QB 1 63 PRO HD3 5.000 . 5.000 4.384 4.210 4.457 . 0 0 "[ . 1 . 2 . ]" 1
258 1 63 PRO HB2 1 64 ASN H 3.500 . 3.500 3.424 3.093 3.561 0.061 14 0 "[ . 1 . 2 . ]" 1
259 1 63 PRO HB3 1 64 ASN H 5.000 . 5.000 4.037 3.754 4.259 . 0 0 "[ . 1 . 2 . ]" 1
260 1 64 ASN HB2 1 65 VAL H 3.500 . 3.500 2.102 1.970 2.425 . 0 0 "[ . 1 . 2 . ]" 1
261 1 64 ASN HB3 1 65 VAL H 3.500 . 3.500 3.002 2.624 3.580 0.080 10 0 "[ . 1 . 2 . ]" 1
262 1 65 VAL HB 1 66 ALA H 3.500 . 3.500 2.491 2.201 3.542 0.042 8 0 "[ . 1 . 2 . ]" 1
263 1 66 ALA MB 1 67 SER H 4.500 . 4.500 2.578 2.332 2.871 . 0 0 "[ . 1 . 2 . ]" 1
264 1 67 SER QB 1 68 GLU H 4.500 . 4.500 2.625 2.420 3.438 . 0 0 "[ . 1 . 2 . ]" 1
265 1 68 GLU HB3 1 69 TYR H 3.500 . 3.500 3.500 3.411 3.541 0.041 26 0 "[ . 1 . 2 . ]" 1
266 1 68 GLU HB2 1 69 TYR H 3.500 . 3.500 2.559 2.499 2.707 . 0 0 "[ . 1 . 2 . ]" 1
267 1 69 TYR HB3 1 70 GLY H 3.500 . 3.500 3.551 3.514 3.584 0.084 13 0 "[ . 1 . 2 . ]" 1
268 1 69 TYR HB2 1 70 GLY H 3.500 . 3.500 2.984 2.751 3.280 . 0 0 "[ . 1 . 2 . ]" 1
269 1 72 ARG HB3 1 73 SER H 5.000 . 5.000 3.537 2.146 4.539 . 0 0 "[ . 1 . 2 . ]" 1
270 1 72 ARG HB2 1 73 SER H 5.000 . 5.000 4.091 2.432 4.640 . 0 0 "[ . 1 . 2 . ]" 1
271 1 73 SER QB 1 74 ILE H 3.500 . 3.500 2.577 2.197 2.903 . 0 0 "[ . 1 . 2 . ]" 1
272 1 74 ILE HB 1 75 PRO HD2 5.000 . 5.000 4.987 4.922 5.023 0.023 21 0 "[ . 1 . 2 . ]" 1
273 1 74 ILE HB 1 75 PRO HD3 5.000 . 5.000 4.247 4.043 4.396 . 0 0 "[ . 1 . 2 . ]" 1
274 1 75 PRO HB3 1 76 THR H 3.500 . 3.500 3.560 3.428 3.659 0.159 5 0 "[ . 1 . 2 . ]" 1
275 1 75 PRO HB2 1 76 THR H 3.500 . 3.500 2.971 2.602 3.258 . 0 0 "[ . 1 . 2 . ]" 1
276 1 77 ILE HB 1 78 MET H 5.000 . 5.000 4.329 3.119 4.596 . 0 0 "[ . 1 . 2 . ]" 1
277 1 78 MET HB2 1 79 VAL H 5.000 . 5.000 3.944 3.554 4.309 . 0 0 "[ . 1 . 2 . ]" 1
278 1 78 MET HB3 1 79 VAL H 3.500 . 3.500 2.909 2.514 3.330 . 0 0 "[ . 1 . 2 . ]" 1
279 1 79 VAL HB 1 80 PHE H 5.000 . 5.000 4.222 3.950 4.483 . 0 0 "[ . 1 . 2 . ]" 1
280 1 80 PHE HB2 1 81 LYS H 5.000 . 5.000 3.865 3.495 4.308 . 0 0 "[ . 1 . 2 . ]" 1
281 1 80 PHE HB3 1 81 LYS H 3.500 . 3.500 2.737 2.254 3.403 . 0 0 "[ . 1 . 2 . ]" 1
282 1 81 LYS HB3 1 82 GLY H 5.000 . 5.000 4.165 2.200 4.715 . 0 0 "[ . 1 . 2 . ]" 1
283 1 81 LYS HB2 1 82 GLY H 5.000 . 5.000 3.605 2.217 4.583 . 0 0 "[ . 1 . 2 . ]" 1
284 1 84 LYS HB3 1 85 LYS H 3.500 . 3.500 2.318 2.078 2.597 . 0 0 "[ . 1 . 2 . ]" 1
285 1 84 LYS HB2 1 85 LYS H 3.500 . 3.500 3.474 3.206 3.589 0.089 24 0 "[ . 1 . 2 . ]" 1
286 1 85 LYS HB3 1 86 CYS H 5.000 . 5.000 3.487 2.379 4.163 . 0 0 "[ . 1 . 2 . ]" 1
287 1 85 LYS HB2 1 86 CYS H 5.000 . 5.000 3.758 2.173 4.328 . 0 0 "[ . 1 . 2 . ]" 1
288 1 86 CYS HB3 1 87 GLU H 3.500 . 3.500 2.168 1.991 2.535 . 0 0 "[ . 1 . 2 . ]" 1
289 1 86 CYS HB2 1 87 GLU H 3.500 . 3.500 3.490 2.511 3.622 0.122 22 0 "[ . 1 . 2 . ]" 1
290 1 87 GLU QB 1 88 THR H 5.000 . 5.000 2.288 1.971 2.722 . 0 0 "[ . 1 . 2 . ]" 1
291 1 88 THR HB 1 89 ILE H 5.000 . 5.000 4.122 3.736 4.546 . 0 0 "[ . 1 . 2 . ]" 1
292 1 92 ALA MB 1 93 VAL H 4.500 . 4.500 3.434 2.538 3.781 . 0 0 "[ . 1 . 2 . ]" 1
293 1 93 VAL HB 1 94 PRO HD3 3.500 . 3.500 3.463 3.159 3.697 0.197 27 0 "[ . 1 . 2 . ]" 1
294 1 93 VAL HB 1 94 PRO HD2 3.500 . 3.500 2.743 2.250 3.417 . 0 0 "[ . 1 . 2 . ]" 1
295 1 94 PRO HB2 1 95 LYS H 3.500 . 3.500 3.476 2.797 3.615 0.115 18 0 "[ . 1 . 2 . ]" 1
296 1 94 PRO HB3 1 95 LYS H 3.500 . 3.500 3.245 2.880 3.578 0.078 15 0 "[ . 1 . 2 . ]" 1
297 1 95 LYS HB3 1 96 ALA H 3.500 . 3.500 3.063 2.164 4.261 0.761 13 2 "[ . - 1 + . 2 . ]" 1
298 1 95 LYS HB2 1 96 ALA H 5.000 . 5.000 3.653 2.683 4.376 . 0 0 "[ . 1 . 2 . ]" 1
299 1 96 ALA MB 1 97 THR H 4.500 . 4.500 2.490 2.266 2.729 . 0 0 "[ . 1 . 2 . ]" 1
300 1 97 THR HB 1 98 ILE H 3.500 . 3.500 2.542 2.389 2.913 . 0 0 "[ . 1 . 2 . ]" 1
301 1 98 ILE HB 1 99 VAL H 3.500 . 3.500 2.536 2.296 2.814 . 0 0 "[ . 1 . 2 . ]" 1
302 1 99 VAL HB 1 100 GLN H 3.500 . 3.500 2.447 2.360 2.711 . 0 0 "[ . 1 . 2 . ]" 1
303 1 100 GLN HB3 1 101 THR H 3.500 . 3.500 3.299 2.323 3.546 0.046 19 0 "[ . 1 . 2 . ]" 1
304 1 100 GLN HB2 1 101 THR H 3.500 . 3.500 2.684 2.249 3.588 0.088 4 0 "[ . 1 . 2 . ]" 1
305 1 101 THR HB 1 102 VAL H 5.000 . 5.000 2.688 2.398 2.992 . 0 0 "[ . 1 . 2 . ]" 1
306 1 102 VAL HB 1 103 GLU H 3.500 . 3.500 2.853 2.313 3.661 0.161 8 0 "[ . 1 . 2 . ]" 1
307 1 103 GLU HB3 1 104 LYS H 3.500 . 3.500 3.395 2.303 3.579 0.079 4 0 "[ . 1 . 2 . ]" 1
308 1 103 GLU HB2 1 104 LYS H 3.500 . 3.500 2.636 2.352 3.622 0.122 7 0 "[ . 1 . 2 . ]" 1
309 1 104 LYS HB3 1 105 TYR H 5.000 . 5.000 3.146 2.367 4.417 . 0 0 "[ . 1 . 2 . ]" 1
310 1 104 LYS HB2 1 105 TYR H 5.000 . 5.000 3.990 3.805 4.335 . 0 0 "[ . 1 . 2 . ]" 1
311 1 105 TYR QB 1 106 LEU H 5.000 . 5.000 2.828 1.891 3.940 . 0 0 "[ . 1 . 2 . ]" 1
312 1 106 LEU HB3 1 107 ASN H 5.000 . 5.000 3.396 2.240 4.553 . 0 0 "[ . 1 . 2 . ]" 1
313 1 106 LEU HB2 1 107 ASN H 5.000 . 5.000 3.187 1.902 4.730 . 0 0 "[ . 1 . 2 . ]" 1
314 1 6 VAL MG1 1 7 ASN H 6.000 . 6.000 3.279 3.024 3.911 . 0 0 "[ . 1 . 2 . ]" 1
315 1 6 VAL MG2 1 7 ASN H 4.500 . 4.500 3.625 2.963 3.916 . 0 0 "[ . 1 . 2 . ]" 1
316 1 10 THR MG 1 11 PHE H 6.000 . 6.000 4.043 3.859 4.142 . 0 0 "[ . 1 . 2 . ]" 1
317 1 12 LYS HG3 1 13 ASN H 5.000 . 5.000 4.430 4.134 4.965 . 0 0 "[ . 1 . 2 . ]" 1
318 1 12 LYS HG2 1 13 ASN H 5.000 . 5.000 4.621 4.006 5.053 0.053 25 0 "[ . 1 . 2 . ]" 1
319 1 14 VAL MG2 1 15 VAL H 6.000 . 6.000 4.040 3.753 4.221 . 0 0 "[ . 1 . 2 . ]" 1
320 1 15 VAL MG1 1 16 LEU H 6.000 . 6.000 3.296 3.081 3.564 . 0 0 "[ . 1 . 2 . ]" 1
321 1 15 VAL MG2 1 16 LEU H 4.500 . 4.500 3.675 3.567 3.774 . 0 0 "[ . 1 . 2 . ]" 1
322 1 16 LEU HG 1 17 GLU H 5.000 . 5.000 4.227 4.069 4.384 . 0 0 "[ . 1 . 2 . ]" 1
323 1 17 GLU QG 1 18 SER H 6.000 . 6.000 4.601 4.331 4.872 . 0 0 "[ . 1 . 2 . ]" 1
324 1 21 PRO HG3 1 22 VAL H 5.000 . 5.000 4.763 4.452 5.125 0.125 23 0 "[ . 1 . 2 . ]" 1
325 1 21 PRO HG2 1 22 VAL H 5.000 . 5.000 4.954 4.270 5.212 0.212 21 0 "[ . 1 . 2 . ]" 1
326 1 22 VAL MG1 1 23 LEU H 6.000 . 6.000 2.666 2.188 3.163 . 0 0 "[ . 1 . 2 . ]" 1
327 1 23 LEU HG 1 24 VAL H 5.000 . 5.000 3.614 2.836 4.089 . 0 0 "[ . 1 . 2 . ]" 1
328 1 24 VAL MG1 1 25 ASP H 4.500 . 4.500 3.602 2.786 4.398 . 0 0 "[ . 1 . 2 . ]" 1
329 1 24 VAL MG2 1 25 ASP H 6.000 . 6.000 3.663 2.597 4.344 . 0 0 "[ . 1 . 2 . ]" 1
330 1 36 ILE QG 1 37 ILE H 3.500 . 3.500 2.683 2.147 3.440 . 0 0 "[ . 1 . 2 . ]" 1
331 1 37 ILE MG 1 38 ALA H 6.000 . 6.000 3.680 2.194 4.201 . 0 0 "[ . 1 . 2 . ]" 1
332 1 40 VAL MG1 1 41 VAL H 6.000 . 6.000 3.420 2.268 4.292 . 0 0 "[ . 1 . 2 . ]" 1
333 1 40 VAL MG2 1 41 VAL H 6.000 . 6.000 3.729 2.482 4.309 . 0 0 "[ . 1 . 2 . ]" 1
334 1 41 VAL QG 1 42 ASP H 6.000 . 6.000 3.102 2.073 3.326 . 0 0 "[ . 1 . 2 . ]" 1
335 1 44 ILE MG 1 45 ALA H 6.000 . 6.000 3.284 2.910 4.335 . 0 0 "[ . 1 . 2 . ]" 1
336 1 49 LYS QG 1 50 ASP H 6.000 . 6.000 3.440 1.897 4.455 . 0 0 "[ . 1 . 2 . ]" 1
337 1 51 LYS QG 1 52 LEU H 6.000 . 6.000 3.863 2.203 4.891 . 0 0 "[ . 1 . 2 . ]" 1
338 1 52 LEU HG 1 53 LYS H 3.500 . 3.500 3.164 1.955 3.608 0.108 15 0 "[ . 1 . 2 . ]" 1
339 1 53 LYS QG 1 54 CYS H 6.000 . 6.000 4.072 2.223 5.256 . 0 0 "[ . 1 . 2 . ]" 1
340 1 55 VAL MG2 1 56 LYS H 6.000 . 6.000 3.979 2.803 4.241 . 0 0 "[ . 1 . 2 . ]" 1
341 1 55 VAL MG1 1 56 LYS H 6.000 . 6.000 2.474 1.939 3.960 . 0 0 "[ . 1 . 2 . ]" 1
342 1 61 GLU HG3 1 62 SER H 5.000 . 5.000 4.597 2.939 5.087 0.087 10 0 "[ . 1 . 2 . ]" 1
343 1 63 PRO HG3 1 64 ASN H 3.500 . 3.500 3.736 3.463 4.116 0.616 3 4 "[ + . 1 - ** 2 . ]" 1
344 1 65 VAL MG1 1 66 ALA H 6.000 . 6.000 3.279 3.142 4.227 . 0 0 "[ . 1 . 2 . ]" 1
345 1 65 VAL MG2 1 66 ALA H 3.900 . 3.900 3.690 2.365 4.000 0.100 14 0 "[ . 1 . 2 . ]" 1
346 1 76 THR MG 1 77 ILE H 4.500 . 4.500 3.107 2.845 3.365 . 0 0 "[ . 1 . 2 . ]" 1
347 1 77 ILE MG 1 78 MET H 6.000 . 6.000 3.109 2.333 4.809 . 0 0 "[ . 1 . 2 . ]" 1
348 1 78 MET HG3 1 79 VAL H 5.000 . 5.000 5.031 4.861 5.091 0.091 9 0 "[ . 1 . 2 . ]" 1
349 1 78 MET HG2 1 79 VAL H 5.000 . 5.000 4.235 4.007 4.919 . 0 0 "[ . 1 . 2 . ]" 1
350 1 79 VAL MG2 1 80 PHE H 6.000 . 6.000 3.976 2.681 4.320 . 0 0 "[ . 1 . 2 . ]" 1
351 1 79 VAL MG1 1 80 PHE H 6.000 . 6.000 2.719 2.256 3.316 . 0 0 "[ . 1 . 2 . ]" 1
352 1 81 LYS QG 1 82 GLY H 6.000 . 6.000 3.792 1.871 4.874 . 0 0 "[ . 1 . 2 . ]" 1
353 1 85 LYS QG 1 86 CYS H 6.000 . 6.000 2.878 2.004 4.133 . 0 0 "[ . 1 . 2 . ]" 1
354 1 87 GLU QG 1 88 THR H 5.000 . 5.000 4.164 3.641 4.456 . 0 0 "[ . 1 . 2 . ]" 1
355 1 88 THR MG 1 89 ILE H 6.000 . 6.000 3.463 2.372 4.378 . 0 0 "[ . 1 . 2 . ]" 1
356 1 89 ILE QG 1 90 ILE H 5.000 . 5.000 4.398 3.745 4.591 . 0 0 "[ . 1 . 2 . ]" 1
357 1 90 ILE MG 1 91 GLY H 4.500 . 4.500 2.450 2.122 3.144 . 0 0 "[ . 1 . 2 . ]" 1
358 1 97 THR MG 1 98 ILE H 6.000 . 6.000 3.788 3.568 4.183 . 0 0 "[ . 1 . 2 . ]" 1
359 1 98 ILE QG 1 99 VAL H 6.000 . 6.000 4.083 3.853 4.433 . 0 0 "[ . 1 . 2 . ]" 1
360 1 98 ILE MG 1 99 VAL H 6.000 . 6.000 3.197 2.771 3.581 . 0 0 "[ . 1 . 2 . ]" 1
361 1 99 VAL MG1 1 100 GLN H 6.000 . 6.000 2.977 2.603 3.344 . 0 0 "[ . 1 . 2 . ]" 1
362 1 100 GLN HG3 1 101 THR H 5.000 . 5.000 4.684 4.357 5.038 0.038 21 0 "[ . 1 . 2 . ]" 1
363 1 100 GLN HG2 1 101 THR H 5.000 . 5.000 4.868 4.311 5.056 0.056 12 0 "[ . 1 . 2 . ]" 1
364 1 101 THR MG 1 102 VAL H 6.000 . 6.000 3.584 3.272 3.823 . 0 0 "[ . 1 . 2 . ]" 1
365 1 102 VAL QG 1 103 GLU H 6.000 . 6.000 2.778 2.068 3.361 . 0 0 "[ . 1 . 2 . ]" 1
366 1 103 GLU HG3 1 104 LYS H 5.000 . 5.000 4.648 4.290 5.004 0.004 26 0 "[ . 1 . 2 . ]" 1
367 1 7 ASN HA 1 9 ASP H 5.000 . 5.000 4.762 4.517 5.029 0.029 24 0 "[ . 1 . 2 . ]" 1
368 1 9 ASP HA 1 11 PHE H 5.000 . 5.000 4.631 4.488 4.985 . 0 0 "[ . 1 . 2 . ]" 1
369 1 47 GLU HA 1 49 LYS H 5.000 . 5.000 4.158 3.715 4.742 . 0 0 "[ . 1 . 2 . ]" 1
370 1 59 THR HA 1 61 GLU H 5.000 . 5.000 4.426 4.273 4.714 . 0 0 "[ . 1 . 2 . ]" 1
371 1 60 ASP HA 1 62 SER H 5.000 . 5.000 4.308 4.094 4.511 . 0 0 "[ . 1 . 2 . ]" 1
372 1 62 SER HA 1 64 ASN H 5.000 . 5.000 3.171 2.944 3.386 . 0 0 "[ . 1 . 2 . ]" 1
373 1 64 ASN HA 1 66 ALA H 5.000 . 5.000 4.753 4.514 4.997 . 0 0 "[ . 1 . 2 . ]" 1
374 1 82 GLY HA3 1 84 LYS H 5.000 . 5.000 4.105 3.578 4.496 . 0 0 "[ . 1 . 2 . ]" 1
375 1 96 ALA HA 1 98 ILE H 5.000 . 5.000 4.619 4.388 4.834 . 0 0 "[ . 1 . 2 . ]" 1
376 1 97 THR HA 1 99 VAL H 5.000 . 5.000 4.714 4.492 4.937 . 0 0 "[ . 1 . 2 . ]" 1
377 1 100 GLN HA 1 102 VAL H 5.000 . 5.000 4.578 4.226 5.001 0.001 7 0 "[ . 1 . 2 . ]" 1
378 1 101 THR HA 1 103 GLU H 5.000 . 5.000 4.715 4.538 4.895 . 0 0 "[ . 1 . 2 . ]" 1
379 1 14 VAL H 1 16 LEU H 5.000 . 5.000 4.492 3.953 5.001 0.001 1 0 "[ . 1 . 2 . ]" 1
380 1 15 VAL H 1 17 GLU H 5.000 . 5.000 4.027 3.186 4.389 . 0 0 "[ . 1 . 2 . ]" 1
381 1 16 LEU H 1 18 SER H 5.000 . 5.000 4.521 3.939 4.873 . 0 0 "[ . 1 . 2 . ]" 1
382 1 34 CYS H 1 36 ILE H 5.000 . 5.000 4.177 3.886 4.513 . 0 0 "[ . 1 . 2 . ]" 1
383 1 35 ARG H 1 37 ILE H 5.000 . 5.000 4.213 3.689 4.496 . 0 0 "[ . 1 . 2 . ]" 1
384 1 40 VAL H 1 42 ASP H 5.000 . 5.000 3.898 3.729 4.207 . 0 0 "[ . 1 . 2 . ]" 1
385 1 41 VAL H 1 43 GLU H 5.000 . 5.000 4.513 4.266 4.736 . 0 0 "[ . 1 . 2 . ]" 1
386 1 43 GLU H 1 45 ALA H 5.000 . 5.000 4.266 4.133 4.510 . 0 0 "[ . 1 . 2 . ]" 1
387 1 45 ALA H 1 47 GLU H 5.000 . 5.000 4.271 3.939 4.611 . 0 0 "[ . 1 . 2 . ]" 1
388 1 46 GLY H 1 48 TYR H 5.000 . 5.000 4.339 4.000 4.833 . 0 0 "[ . 1 . 2 . ]" 1
389 1 47 GLU H 1 49 LYS H 5.000 . 5.000 4.447 4.038 5.035 0.035 11 0 "[ . 1 . 2 . ]" 1
390 1 49 LYS H 1 51 LYS H 5.000 . 5.000 4.890 4.480 5.114 0.114 13 0 "[ . 1 . 2 . ]" 1
391 1 50 ASP H 1 52 LEU H 5.000 . 5.000 4.351 3.492 5.064 0.064 14 0 "[ . 1 . 2 . ]" 1
392 1 59 THR H 1 61 GLU H 5.000 . 5.000 4.280 4.039 4.793 . 0 0 "[ . 1 . 2 . ]" 1
393 1 60 ASP H 1 62 SER H 5.000 . 5.000 3.296 1.995 3.774 . 0 0 "[ . 1 . 2 . ]" 1
394 1 62 SER H 1 64 ASN H 5.000 . 5.000 5.110 5.051 5.176 0.176 5 0 "[ . 1 . 2 . ]" 1
395 1 64 ASN H 1 66 ALA H 5.000 . 5.000 4.270 3.953 4.498 . 0 0 "[ . 1 . 2 . ]" 1
396 1 65 VAL H 1 67 SER H 5.000 . 5.000 4.238 4.064 4.461 . 0 0 "[ . 1 . 2 . ]" 1
397 1 66 ALA H 1 68 GLU H 5.000 . 5.000 4.287 4.089 4.525 . 0 0 "[ . 1 . 2 . ]" 1
398 1 67 SER H 1 69 TYR H 5.000 . 5.000 4.129 3.798 4.291 . 0 0 "[ . 1 . 2 . ]" 1
399 1 96 ALA H 1 98 ILE H 5.000 . 5.000 4.281 4.095 4.419 . 0 0 "[ . 1 . 2 . ]" 1
400 1 97 THR H 1 99 VAL H 5.000 . 5.000 4.274 3.952 4.514 . 0 0 "[ . 1 . 2 . ]" 1
401 1 101 THR H 1 103 GLU H 5.000 . 5.000 4.319 4.087 4.449 . 0 0 "[ . 1 . 2 . ]" 1
402 1 103 GLU H 1 105 TYR H 5.000 . 5.000 4.265 4.116 4.420 . 0 0 "[ . 1 . 2 . ]" 1
403 1 10 THR HA 1 13 ASN H 5.000 . 5.000 3.472 3.169 3.787 . 0 0 "[ . 1 . 2 . ]" 1
404 1 11 PHE HA 1 14 VAL H 5.000 . 5.000 3.831 3.675 4.009 . 0 0 "[ . 1 . 2 . ]" 1
405 1 12 LYS HA 1 15 VAL H 5.000 . 5.000 4.360 3.762 4.620 . 0 0 "[ . 1 . 2 . ]" 1
406 1 33 PRO HA 1 36 ILE H 5.000 . 5.000 3.683 3.479 4.069 . 0 0 "[ . 1 . 2 . ]" 1
407 1 34 CYS HA 1 37 ILE H 5.000 . 5.000 3.616 3.366 3.863 . 0 0 "[ . 1 . 2 . ]" 1
408 1 35 ARG HA 1 38 ALA H 5.000 . 5.000 3.672 3.394 4.241 . 0 0 "[ . 1 . 2 . ]" 1
409 1 36 ILE HA 1 39 PRO HD2 5.000 . 5.000 3.983 3.718 4.241 . 0 0 "[ . 1 . 2 . ]" 1
410 1 36 ILE HA 1 39 PRO HD3 5.000 . 5.000 3.518 3.023 4.063 . 0 0 "[ . 1 . 2 . ]" 1
411 1 37 ILE HA 1 40 VAL H 5.000 . 5.000 3.463 3.260 3.733 . 0 0 "[ . 1 . 2 . ]" 1
412 1 38 ALA HA 1 41 VAL H 5.000 . 5.000 3.295 3.128 3.856 . 0 0 "[ . 1 . 2 . ]" 1
413 1 39 PRO HA 1 42 ASP H 5.000 . 5.000 3.464 3.189 3.833 . 0 0 "[ . 1 . 2 . ]" 1
414 1 40 VAL HA 1 43 GLU H 5.000 . 5.000 3.388 2.912 3.759 . 0 0 "[ . 1 . 2 . ]" 1
415 1 41 VAL HA 1 44 ILE H 5.000 . 5.000 3.835 3.504 4.265 . 0 0 "[ . 1 . 2 . ]" 1
416 1 42 ASP HA 1 45 ALA H 5.000 . 5.000 3.504 3.237 3.931 . 0 0 "[ . 1 . 2 . ]" 1
417 1 43 GLU HA 1 46 GLY H 5.000 . 5.000 3.101 2.704 3.397 . 0 0 "[ . 1 . 2 . ]" 1
418 1 44 ILE HA 1 47 GLU H 5.000 . 5.000 3.188 2.742 3.833 . 0 0 "[ . 1 . 2 . ]" 1
419 1 45 ALA HA 1 48 TYR H 5.000 . 5.000 3.600 3.208 4.176 . 0 0 "[ . 1 . 2 . ]" 1
420 1 46 GLY QA 1 49 LYS H 6.000 . 6.000 4.024 3.335 4.920 . 0 0 "[ . 1 . 2 . ]" 1
421 1 49 LYS HA 1 52 LEU H 5.000 . 5.000 4.208 3.366 5.083 0.083 19 0 "[ . 1 . 2 . ]" 1
422 1 59 THR HA 1 62 SER H 5.000 . 5.000 3.256 3.000 3.570 . 0 0 "[ . 1 . 2 . ]" 1
423 1 63 PRO HD2 1 66 ALA H 6.000 . 6.000 5.904 5.437 6.083 0.083 11 0 "[ . 1 . 2 . ]" 1
424 1 64 ASN HA 1 67 SER H 5.000 . 5.000 3.809 3.594 4.094 . 0 0 "[ . 1 . 2 . ]" 1
425 1 66 ALA HA 1 69 TYR H 5.000 . 5.000 3.728 3.492 4.011 . 0 0 "[ . 1 . 2 . ]" 1
426 1 95 LYS HA 1 98 ILE H 5.000 . 5.000 3.174 2.756 3.536 . 0 0 "[ . 1 . 2 . ]" 1
427 1 96 ALA HA 1 99 VAL H 5.000 . 5.000 3.717 3.342 4.096 . 0 0 "[ . 1 . 2 . ]" 1
428 1 98 ILE HA 1 101 THR H 5.000 . 5.000 3.644 3.262 3.965 . 0 0 "[ . 1 . 2 . ]" 1
429 1 99 VAL HA 1 102 VAL H 5.000 . 5.000 3.562 3.206 3.991 . 0 0 "[ . 1 . 2 . ]" 1
430 1 100 GLN HA 1 103 GLU H 5.000 . 5.000 3.676 3.362 4.090 . 0 0 "[ . 1 . 2 . ]" 1
431 1 102 VAL HA 1 105 TYR H 5.000 . 5.000 3.524 3.296 3.791 . 0 0 "[ . 1 . 2 . ]" 1
432 1 103 GLU HA 1 106 LEU H 5.000 . 5.000 3.456 2.948 4.619 . 0 0 "[ . 1 . 2 . ]" 1
433 1 10 THR HA 1 13 ASN HB3 5.000 . 5.000 4.711 3.672 5.040 0.040 10 0 "[ . 1 . 2 . ]" 1
434 1 10 THR HA 1 13 ASN HB2 5.000 . 5.000 3.486 2.713 4.587 . 0 0 "[ . 1 . 2 . ]" 1
435 1 11 PHE HA 1 14 VAL HB 5.000 . 5.000 3.035 2.670 4.213 . 0 0 "[ . 1 . 2 . ]" 1
436 1 35 ARG HA 1 38 ALA MB 6.000 . 6.000 2.737 2.373 3.534 . 0 0 "[ . 1 . 2 . ]" 1
437 1 38 ALA HA 1 41 VAL HB 5.000 . 5.000 2.538 2.292 3.771 . 0 0 "[ . 1 . 2 . ]" 1
438 1 39 PRO HA 1 42 ASP QB 5.000 . 5.000 2.627 2.375 3.004 . 0 0 "[ . 1 . 2 . ]" 1
439 1 41 VAL HA 1 44 ILE HB 5.000 . 5.000 2.840 2.317 4.061 . 0 0 "[ . 1 . 2 . ]" 1
440 1 42 ASP HA 1 45 ALA MB 6.000 . 6.000 2.808 2.289 3.736 . 0 0 "[ . 1 . 2 . ]" 1
441 1 63 PRO HA 1 66 ALA MB 6.000 . 6.000 2.320 2.075 2.582 . 0 0 "[ . 1 . 2 . ]" 1
442 1 64 ASN HA 1 67 SER QB 6.000 . 6.000 3.323 2.996 4.400 . 0 0 "[ . 1 . 2 . ]" 1
443 1 95 LYS HA 1 98 ILE HB 5.000 . 5.000 2.431 2.228 2.648 . 0 0 "[ . 1 . 2 . ]" 1
444 1 97 THR HA 1 100 GLN HB3 5.000 . 5.000 4.274 2.604 4.786 . 0 0 "[ . 1 . 2 . ]" 1
445 1 97 THR HA 1 100 GLN HB2 5.000 . 5.000 2.899 2.510 3.510 . 0 0 "[ . 1 . 2 . ]" 1
446 1 98 ILE HA 1 101 THR HB 5.000 . 5.000 2.683 2.389 3.267 . 0 0 "[ . 1 . 2 . ]" 1
447 1 100 GLN HA 1 103 GLU HB3 5.000 . 5.000 4.100 2.715 4.848 . 0 0 "[ . 1 . 2 . ]" 1
448 1 100 GLN HA 1 103 GLU HB2 5.000 . 5.000 2.637 2.329 3.713 . 0 0 "[ . 1 . 2 . ]" 1
449 1 101 THR HA 1 104 LYS HB3 5.000 . 5.000 3.418 2.343 4.482 . 0 0 "[ . 1 . 2 . ]" 1
450 1 101 THR HA 1 104 LYS HB2 5.000 . 5.000 4.071 3.226 5.090 0.090 17 0 "[ . 1 . 2 . ]" 1
451 1 102 VAL HA 1 105 TYR QB 5.000 . 5.000 3.116 2.449 3.497 . 0 0 "[ . 1 . 2 . ]" 1
452 1 103 GLU HA 1 106 LEU HB3 5.000 . 5.000 4.391 2.240 5.058 0.058 6 0 "[ . 1 . 2 . ]" 1
453 1 103 GLU HA 1 106 LEU HB2 5.000 . 5.000 3.523 2.303 5.045 0.045 28 0 "[ . 1 . 2 . ]" 1
454 1 10 THR HA 1 14 VAL H 5.000 . 5.000 3.970 3.809 4.155 . 0 0 "[ . 1 . 2 . ]" 1
455 1 38 ALA HA 1 42 ASP H 5.000 . 5.000 3.891 3.595 4.101 . 0 0 "[ . 1 . 2 . ]" 1
456 1 39 PRO HA 1 43 GLU H 5.000 . 5.000 3.999 3.700 4.235 . 0 0 "[ . 1 . 2 . ]" 1
457 1 40 VAL HA 1 44 ILE H 5.000 . 5.000 3.738 3.361 4.240 . 0 0 "[ . 1 . 2 . ]" 1
458 1 65 VAL HA 1 69 TYR H 5.000 . 5.000 3.958 3.800 4.107 . 0 0 "[ . 1 . 2 . ]" 1
459 1 95 LYS HA 1 99 VAL H 5.000 . 5.000 3.845 3.681 4.010 . 0 0 "[ . 1 . 2 . ]" 1
460 1 4 GLY H 1 55 VAL HA 3.500 . 3.500 2.456 2.207 3.057 . 0 0 "[ . 1 . 2 . ]" 1
461 1 5 ALA HA 1 56 LYS H 3.500 . 3.500 2.688 2.134 3.518 0.018 19 0 "[ . 1 . 2 . ]" 1
462 1 6 VAL H 1 56 LYS H 5.000 . 5.000 3.380 2.971 3.587 . 0 0 "[ . 1 . 2 . ]" 1
463 1 6 VAL H 1 57 LEU HA 3.500 . 3.500 2.879 2.627 3.192 . 0 0 "[ . 1 . 2 . ]" 1
464 1 7 ASN HA 1 57 LEU HA 5.000 . 5.000 3.969 3.316 4.197 . 0 0 "[ . 1 . 2 . ]" 1
465 1 21 PRO HA 1 81 LYS HA 2.700 . 2.700 2.457 2.143 2.807 0.107 21 0 "[ . 1 . 2 . ]" 1
466 1 22 VAL H 1 81 LYS HA 5.000 . 5.000 3.732 3.340 4.003 . 0 0 "[ . 1 . 2 . ]" 1
467 1 22 VAL HA 1 53 LYS H 3.500 . 3.500 2.639 1.968 3.643 0.143 19 0 "[ . 1 . 2 . ]" 1
468 1 22 VAL HA 1 54 CYS H 5.000 . 5.000 4.571 3.313 5.125 0.125 4 0 "[ . 1 . 2 . ]" 1
469 1 22 VAL H 1 80 PHE H 3.500 . 3.500 2.869 2.591 3.360 . 0 0 "[ . 1 . 2 . ]" 1
470 1 23 LEU HA 1 80 PHE H 5.000 . 5.000 3.642 3.231 3.889 . 0 0 "[ . 1 . 2 . ]" 1
471 1 23 LEU HA 1 79 VAL HA 2.700 . 2.700 2.462 2.103 2.713 0.013 6 0 "[ . 1 . 2 . ]" 1
472 1 23 LEU H 1 53 LYS H 5.000 . 5.000 3.965 3.498 4.614 . 0 0 "[ . 1 . 2 . ]" 1
473 1 23 LEU H 1 54 CYS HA 3.500 . 3.500 2.703 2.195 3.426 . 0 0 "[ . 1 . 2 . ]" 1
474 1 23 LEU H 1 55 VAL H 5.000 . 5.000 3.919 3.660 4.374 . 0 0 "[ . 1 . 2 . ]" 1
475 1 24 VAL HA 1 54 CYS HA 5.000 . 5.000 4.603 3.779 5.114 0.114 18 0 "[ . 1 . 2 . ]" 1
476 1 24 VAL H 1 79 VAL HA 5.000 . 5.000 3.447 2.884 3.828 . 0 0 "[ . 1 . 2 . ]" 1
477 1 24 VAL H 1 78 MET H 3.500 . 3.500 3.192 2.891 3.588 0.088 18 0 "[ . 1 . 2 . ]" 1
478 1 25 ASP H 1 55 VAL H 5.000 . 5.000 3.649 3.419 4.309 . 0 0 "[ . 1 . 2 . ]" 1
479 1 25 ASP H 1 56 LYS HA 5.000 . 5.000 2.471 2.072 2.631 . 0 0 "[ . 1 . 2 . ]" 1
480 1 25 ASP H 1 57 LEU H 3.500 . 3.500 3.498 3.255 3.558 0.058 14 0 "[ . 1 . 2 . ]" 1
481 1 25 ASP HA 1 78 MET H 5.000 . 5.000 3.555 3.300 3.710 . 0 0 "[ . 1 . 2 . ]" 1
482 1 25 ASP HA 1 77 ILE HA 2.700 . 2.700 2.181 2.039 2.962 0.262 18 0 "[ . 1 . 2 . ]" 1
483 1 26 PHE H 1 77 ILE HA 5.000 . 5.000 3.212 2.727 4.484 . 0 0 "[ . 1 . 2 . ]" 1
484 1 26 PHE H 1 76 THR H 3.500 . 3.500 2.932 2.491 3.189 . 0 0 "[ . 1 . 2 . ]" 1
485 1 26 PHE HA 1 57 LEU H 3.500 . 3.500 2.895 2.672 3.098 . 0 0 "[ . 1 . 2 . ]" 1
486 1 26 PHE HA 1 58 ASN HA 5.000 . 5.000 4.991 4.828 5.095 0.095 22 0 "[ . 1 . 2 . ]" 1
487 1 27 TRP H 1 57 LEU H 5.000 . 5.000 3.355 3.024 3.520 . 0 0 "[ . 1 . 2 . ]" 1
488 1 27 TRP H 1 58 ASN HA 3.500 . 3.500 3.405 3.217 3.510 0.010 8 0 "[ . 1 . 2 . ]" 1
489 1 27 TRP HA 1 59 THR H 5.000 . 5.000 4.712 4.633 4.778 . 0 0 "[ . 1 . 2 . ]" 1
490 1 28 ALA HA 1 58 ASN HA 5.000 . 5.000 3.368 3.217 3.510 . 0 0 "[ . 1 . 2 . ]" 1
491 1 28 ALA HA 1 59 THR H 3.500 . 3.500 3.522 3.276 3.583 0.083 11 0 "[ . 1 . 2 . ]" 1
492 1 79 VAL H 1 87 GLU H 3.500 . 3.500 3.091 2.601 3.552 0.052 18 0 "[ . 1 . 2 . ]" 1
493 1 79 VAL H 1 88 THR HA 5.000 . 5.000 3.324 2.852 4.102 . 0 0 "[ . 1 . 2 . ]" 1
494 1 78 MET HA 1 88 THR HA 2.700 . 2.700 2.264 2.113 2.839 0.139 18 0 "[ . 1 . 2 . ]" 1
495 1 78 MET HA 1 89 ILE H 5.000 . 5.000 3.617 2.944 4.010 . 0 0 "[ . 1 . 2 . ]" 1
496 1 77 ILE H 1 89 ILE H 5.000 . 5.000 3.100 2.747 4.105 . 0 0 "[ . 1 . 2 . ]" 1
497 1 77 ILE H 1 90 ILE HA 5.000 . 5.000 3.337 2.547 3.662 . 0 0 "[ . 1 . 2 . ]" 1
498 1 76 THR HA 1 90 ILE HA 2.700 . 2.700 2.355 2.184 2.901 0.201 18 0 "[ . 1 . 2 . ]" 1
499 1 76 THR HA 1 91 GLY H 5.000 . 5.000 3.434 2.755 4.159 . 0 0 "[ . 1 . 2 . ]" 1
500 1 11 PHE HZ 1 80 PHE HZ 3.300 . 3.300 2.537 2.292 2.946 . 0 0 "[ . 1 . 2 . ]" 1
501 1 11 PHE HZ 1 80 PHE QE 5.300 . 5.300 3.124 2.680 3.580 . 0 0 "[ . 1 . 2 . ]" 1
502 1 11 PHE HZ 1 80 PHE QD 7.000 . 7.000 4.731 4.102 5.320 . 0 0 "[ . 1 . 2 . ]" 1
503 1 11 PHE HZ 1 26 PHE HZ 5.000 . 5.000 3.383 2.564 3.984 . 0 0 "[ . 1 . 2 . ]" 1
504 1 11 PHE HZ 1 26 PHE QE 7.000 . 7.000 4.230 3.337 4.599 . 0 0 "[ . 1 . 2 . ]" 1
505 1 11 PHE HZ 1 69 TYR QD 7.000 . 7.000 4.134 3.614 4.711 . 0 0 "[ . 1 . 2 . ]" 1
506 1 11 PHE HZ 1 69 TYR QE 5.300 . 5.300 2.889 2.364 3.713 . 0 0 "[ . 1 . 2 . ]" 1
507 1 11 PHE QE 1 80 PHE HZ 7.000 . 7.000 3.610 3.083 3.983 . 0 0 "[ . 1 . 2 . ]" 1
508 1 11 PHE QE 1 26 PHE HZ 7.000 . 7.000 3.360 2.626 4.481 . 0 0 "[ . 1 . 2 . ]" 1
509 1 11 PHE QE 1 80 PHE QE 9.000 . 9.000 3.346 2.822 3.828 . 0 0 "[ . 1 . 2 . ]" 1
510 1 11 PHE QE 1 26 PHE QE 9.000 . 9.000 3.537 2.775 4.134 . 0 0 "[ . 1 . 2 . ]" 1
511 1 11 PHE QE 1 26 PHE QD 9.000 . 9.000 5.076 4.219 5.555 . 0 0 "[ . 1 . 2 . ]" 1
512 1 11 PHE QD 1 80 PHE HZ 7.000 . 7.000 5.671 5.321 6.029 . 0 0 "[ . 1 . 2 . ]" 1
513 1 11 PHE QE 1 69 TYR QD 9.000 . 9.000 4.461 3.993 4.956 . 0 0 "[ . 1 . 2 . ]" 1
514 1 26 PHE HZ 1 80 PHE HZ 5.000 . 5.000 3.739 3.154 4.344 . 0 0 "[ . 1 . 2 . ]" 1
515 1 11 PHE QD 1 26 PHE HZ 7.000 . 7.000 5.170 4.151 6.416 . 0 0 "[ . 1 . 2 . ]" 1
516 1 26 PHE HZ 1 69 TYR QD 7.000 . 7.000 3.396 2.603 4.405 . 0 0 "[ . 1 . 2 . ]" 1
517 1 26 PHE QE 1 69 TYR QD 9.000 . 9.000 3.792 2.768 4.593 . 0 0 "[ . 1 . 2 . ]" 1
518 1 26 PHE QE 1 69 TYR QE 7.300 . 7.300 4.961 3.807 5.722 . 0 0 "[ . 1 . 2 . ]" 1
519 1 11 PHE HZ 1 26 PHE QD 7.000 . 7.000 6.229 5.159 6.536 . 0 0 "[ . 1 . 2 . ]" 1
520 1 69 TYR QD 1 80 PHE HZ 7.000 . 7.000 4.189 3.356 5.235 . 0 0 "[ . 1 . 2 . ]" 1
521 1 69 TYR QD 1 80 PHE QE 9.000 . 9.000 4.799 4.135 5.647 . 0 0 "[ . 1 . 2 . ]" 1
522 1 69 TYR QE 1 80 PHE QD 9.000 . 9.000 5.143 4.631 5.723 . 0 0 "[ . 1 . 2 . ]" 1
523 1 69 TYR QE 1 80 PHE QE 9.000 . 9.000 3.308 2.525 3.911 . 0 0 "[ . 1 . 2 . ]" 1
524 1 69 TYR QE 1 80 PHE HZ 5.300 . 5.300 3.297 2.529 4.283 . 0 0 "[ . 1 . 2 . ]" 1
525 1 26 PHE QD 1 80 PHE HZ 7.000 . 7.000 6.119 5.596 6.438 . 0 0 "[ . 1 . 2 . ]" 1
526 1 69 TYR QD 1 80 PHE QD 9.000 . 9.000 6.583 5.970 7.439 . 0 0 "[ . 1 . 2 . ]" 1
527 1 3 ALA H 1 42 ASP QB 5.000 . 5.000 3.798 3.232 4.911 . 0 0 "[ . 1 . 2 . ]" 1
528 1 7 ASN HA 1 62 SER HA 5.000 . 5.000 4.803 4.440 5.070 0.070 19 0 "[ . 1 . 2 . ]" 1
529 1 7 ASN HA 1 57 LEU HB2 5.000 . 5.000 4.849 3.273 5.153 0.153 24 0 "[ . 1 . 2 . ]" 1
530 1 7 ASN HA 1 57 LEU MD1 6.000 . 6.000 3.003 1.967 4.194 . 0 0 "[ . 1 . 2 . ]" 1
531 1 7 ASN H 1 10 THR HA 5.000 . 5.000 4.932 4.812 5.039 0.039 20 0 "[ . 1 . 2 . ]" 1
532 1 7 ASN H 1 10 THR HB 5.000 . 5.000 3.687 3.411 3.897 . 0 0 "[ . 1 . 2 . ]" 1
533 1 8 ASP H 1 62 SER HA 5.000 . 5.000 3.461 2.995 3.778 . 0 0 "[ . 1 . 2 . ]" 1
534 1 7 ASN H 1 9 ASP H 5.000 . 5.000 4.650 3.978 4.961 . 0 0 "[ . 1 . 2 . ]" 1
535 1 7 ASN H 1 10 THR H 3.500 . 3.500 3.325 2.964 3.573 0.073 23 0 "[ . 1 . 2 . ]" 1
536 1 6 VAL MG2 1 55 VAL MG2 5.300 . 5.300 3.201 1.940 4.110 . 0 0 "[ . 1 . 2 . ]" 1
537 1 6 VAL MG2 1 11 PHE QD 6.300 . 6.300 2.806 2.285 3.286 . 0 0 "[ . 1 . 2 . ]" 1
538 1 6 VAL MG2 1 11 PHE QE 8.000 . 8.000 4.212 3.639 4.596 . 0 0 "[ . 1 . 2 . ]" 1
539 1 6 VAL MG2 1 11 PHE HA 6.000 . 6.000 3.449 3.082 4.017 . 0 0 "[ . 1 . 2 . ]" 1
540 1 6 VAL HB 1 11 PHE QD 7.000 . 7.000 3.493 3.087 4.448 . 0 0 "[ . 1 . 2 . ]" 1
541 1 3 ALA H 1 45 ALA MB 6.000 . 6.000 2.947 1.920 4.044 . 0 0 "[ . 1 . 2 . ]" 1
542 1 4 GLY H 1 55 VAL HB 5.000 . 5.000 4.745 3.222 5.022 0.022 27 0 "[ . 1 . 2 . ]" 1
543 1 7 ASN H 1 11 PHE HB2 5.000 . 5.000 3.622 3.324 4.253 . 0 0 "[ . 1 . 2 . ]" 1
544 1 8 ASP H 1 62 SER QB . . 3.500 2.539 2.137 3.210 . 0 0 "[ . 1 . 2 . ]" 1
545 1 7 ASN HB2 1 9 ASP H 5.000 . 5.000 4.464 3.670 5.251 0.251 23 0 "[ . 1 . 2 . ]" 1
546 1 9 ASP H 1 10 THR MG 6.000 . 6.000 4.696 4.340 4.829 . 0 0 "[ . 1 . 2 . ]" 1
547 1 7 ASN HD21 1 8 ASP H 5.000 . 5.000 2.806 2.082 3.464 . 0 0 "[ . 1 . 2 . ]" 1
548 1 7 ASN HD22 1 8 ASP H 5.000 . 5.000 3.590 2.632 5.064 0.064 24 0 "[ . 1 . 2 . ]" 1
549 1 8 ASP H 1 57 LEU MD1 6.000 . 6.000 3.861 2.839 5.324 . 0 0 "[ . 1 . 2 . ]" 1
550 1 8 ASP HA 1 12 LYS H 5.000 . 5.000 4.815 4.174 5.056 0.056 5 0 "[ . 1 . 2 . ]" 1
551 1 4 GLY H 1 14 VAL MG1 6.000 . 6.000 5.087 4.511 6.501 0.501 6 1 "[ .+ 1 . 2 . ]" 1
552 1 4 GLY H 1 55 VAL MG1 6.000 . 6.000 2.530 2.039 3.430 . 0 0 "[ . 1 . 2 . ]" 1
553 1 7 ASN H 1 10 THR MG 6.000 . 6.000 3.743 3.434 3.878 . 0 0 "[ . 1 . 2 . ]" 1
554 1 7 ASN H 1 14 VAL MG1 7.000 . 7.000 5.678 4.103 5.774 . 0 0 "[ . 1 . 2 . ]" 1
555 1 6 VAL MG2 1 11 PHE H 6.000 . 6.000 4.514 3.844 4.977 . 0 0 "[ . 1 . 2 . ]" 1
556 1 11 PHE HA 1 15 VAL MG1 6.000 . 6.000 4.449 4.015 4.686 . 0 0 "[ . 1 . 2 . ]" 1
557 1 11 PHE HA 1 15 VAL MG2 6.000 . 6.000 2.137 2.046 2.239 . 0 0 "[ . 1 . 2 . ]" 1
558 1 6 VAL MG2 1 11 PHE HB2 6.000 . 6.000 3.773 2.918 4.351 . 0 0 "[ . 1 . 2 . ]" 1
559 1 11 PHE QD 1 65 VAL MG1 6.300 . 6.300 3.312 2.660 3.674 . 0 0 "[ . 1 . 2 . ]" 1
560 1 11 PHE QE 1 65 VAL MG1 6.300 . 6.300 2.803 2.584 3.076 . 0 0 "[ . 1 . 2 . ]" 1
561 1 11 PHE HZ 1 65 VAL MG1 6.000 . 6.000 3.057 2.732 4.226 . 0 0 "[ . 1 . 2 . ]" 1
562 1 11 PHE QE 1 24 VAL MG1 6.300 . 6.300 2.503 2.177 3.516 . 0 0 "[ . 1 . 2 . ]" 1
563 1 11 PHE QE 1 24 VAL MG2 6.300 . 6.300 2.666 2.276 3.640 . 0 0 "[ . 1 . 2 . ]" 1
564 1 11 PHE HZ 1 24 VAL MG1 6.000 . 6.000 4.259 2.729 4.832 . 0 0 "[ . 1 . 2 . ]" 1
565 1 11 PHE QD 1 57 LEU MD2 8.000 . 8.000 3.322 2.263 5.127 . 0 0 "[ . 1 . 2 . ]" 1
566 1 11 PHE QD 1 15 VAL MG1 8.000 . 8.000 3.571 3.071 3.915 . 0 0 "[ . 1 . 2 . ]" 1
567 1 11 PHE QE 1 15 VAL MG1 6.300 . 6.300 2.726 2.376 3.251 . 0 0 "[ . 1 . 2 . ]" 1
568 1 11 PHE QD 1 15 VAL MG2 6.300 . 6.300 2.370 2.155 3.005 . 0 0 "[ . 1 . 2 . ]" 1
569 1 11 PHE QE 1 15 VAL MG2 8.000 . 8.000 3.062 2.715 3.445 . 0 0 "[ . 1 . 2 . ]" 1
570 1 11 PHE HZ 1 24 VAL MG2 6.000 . 6.000 4.369 3.262 4.850 . 0 0 "[ . 1 . 2 . ]" 1
571 1 11 PHE QE 1 16 LEU MD1 6.300 . 6.300 2.723 2.400 3.454 . 0 0 "[ . 1 . 2 . ]" 1
572 1 11 PHE QE 1 16 LEU MD2 8.000 . 8.000 2.389 2.205 2.826 . 0 0 "[ . 1 . 2 . ]" 1
573 1 11 PHE QD 1 16 LEU HG 5.300 . 5.300 2.941 2.254 3.485 . 0 0 "[ . 1 . 2 . ]" 1
574 1 11 PHE QE 1 16 LEU HG 5.300 . 5.300 3.088 2.536 3.766 . 0 0 "[ . 1 . 2 . ]" 1
575 1 12 LYS H 1 14 VAL H 6.000 . 6.000 4.244 3.863 4.522 . 0 0 "[ . 1 . 2 . ]" 1
576 1 12 LYS H 1 15 VAL MG2 6.000 . 6.000 4.887 4.836 4.951 . 0 0 "[ . 1 . 2 . ]" 1
577 1 12 LYS H 1 16 LEU H 5.000 . 5.000 4.819 4.666 4.953 . 0 0 "[ . 1 . 2 . ]" 1
578 1 12 LYS HA 1 16 LEU H 3.500 . 3.500 3.220 2.822 3.509 0.009 7 0 "[ . 1 . 2 . ]" 1
579 1 12 LYS HA 1 16 LEU MD2 6.000 . 6.000 4.272 4.005 4.637 . 0 0 "[ . 1 . 2 . ]" 1
580 1 12 LYS HA 1 17 GLU H 5.000 . 5.000 3.878 3.575 4.151 . 0 0 "[ . 1 . 2 . ]" 1
581 1 13 ASN HA 1 17 GLU H 5.000 . 5.000 3.463 2.956 3.872 . 0 0 "[ . 1 . 2 . ]" 1
582 1 10 THR HB 1 14 VAL H 5.000 . 5.000 4.292 4.010 4.625 . 0 0 "[ . 1 . 2 . ]" 1
583 1 13 ASN HB3 1 14 VAL HA 5.000 . 5.000 4.021 3.648 4.494 . 0 0 "[ . 1 . 2 . ]" 1
584 1 13 ASN HB2 1 14 VAL HA 5.000 . 5.000 4.501 4.038 5.219 0.219 22 0 "[ . 1 . 2 . ]" 1
585 1 14 VAL HA 1 18 SER HA 5.000 . 5.000 4.830 4.234 5.065 0.065 27 0 "[ . 1 . 2 . ]" 1
586 1 14 VAL HA 1 18 SER QB 5.000 . 5.000 4.354 3.524 4.859 . 0 0 "[ . 1 . 2 . ]" 1
587 1 1 MET QG 1 2 GLU QG 4.300 . 4.300 2.800 2.153 3.812 . 0 0 "[ . 1 . 2 . ]" 1
588 1 27 TRP HD1 1 57 LEU H 5.000 . 5.000 2.518 2.317 2.668 . 0 0 "[ . 1 . 2 . ]" 1
589 1 2 GLU HA 1 3 ALA MB 6.000 . 6.000 4.721 3.876 5.054 . 0 0 "[ . 1 . 2 . ]" 1
590 1 5 ALA HA 1 55 VAL MG1 6.000 . 6.000 3.545 2.768 5.334 . 0 0 "[ . 1 . 2 . ]" 1
591 1 6 VAL HA 1 10 THR HB 5.000 . 5.000 3.447 3.187 3.739 . 0 0 "[ . 1 . 2 . ]" 1
592 1 6 VAL MG1 1 24 VAL HA 5.000 . 6.000 5.656 4.734 6.492 0.492 24 0 "[ . 1 . 2 . ]" 1
593 1 7 ASN HA 1 8 ASP HA 5.000 . 5.000 4.333 4.236 4.415 . 0 0 "[ . 1 . 2 . ]" 1
594 1 7 ASN HA 1 61 GLU HG2 5.000 . 5.000 5.126 4.695 5.798 0.798 24 6 "[ . -*1 . * * +.* ]" 1
595 1 7 ASN HA 1 62 SER QB 5.000 . 5.000 2.796 2.096 3.649 . 0 0 "[ . 1 . 2 . ]" 1
596 1 8 ASP HB2 1 62 SER QB 5.000 . 5.000 3.554 2.663 5.414 0.414 20 0 "[ . 1 . 2 . ]" 1
597 1 8 ASP HA 1 65 VAL MG1 6.000 . 6.000 4.150 3.094 4.660 . 0 0 "[ . 1 . 2 . ]" 1
598 1 6 VAL HA 1 10 THR MG 6.000 . 6.000 3.722 3.403 3.879 . 0 0 "[ . 1 . 2 . ]" 1
599 1 9 ASP HB2 1 10 THR MG 6.000 . 6.000 4.146 2.755 4.613 . 0 0 "[ . 1 . 2 . ]" 1
600 1 7 ASN HB3 1 10 THR MG 6.000 . 6.000 4.249 3.354 5.468 . 0 0 "[ . 1 . 2 . ]" 1
601 1 10 THR HB 1 14 VAL MG1 6.000 . 6.000 4.127 3.073 4.575 . 0 0 "[ . 1 . 2 . ]" 1
602 1 11 PHE QD 1 12 LYS HA 7.000 . 7.000 3.342 2.860 3.877 . 0 0 "[ . 1 . 2 . ]" 1
603 1 11 PHE HA 1 12 LYS HA 5.000 . 5.000 4.927 4.768 5.016 0.016 28 0 "[ . 1 . 2 . ]" 1
604 1 11 PHE QD 1 12 LYS HB2 7.000 . 7.000 5.225 4.797 5.722 . 0 0 "[ . 1 . 2 . ]" 1
605 1 11 PHE QD 1 12 LYS HB3 7.000 . 7.000 5.344 4.722 5.725 . 0 0 "[ . 1 . 2 . ]" 1
606 1 11 PHE QE 1 12 LYS HG3 7.000 . 7.000 6.179 5.202 7.475 0.475 16 0 "[ . 1 . 2 . ]" 1
607 1 11 PHE QD 1 57 LEU MD1 8.000 . 8.000 3.333 2.129 4.996 . 0 0 "[ . 1 . 2 . ]" 1
608 1 11 PHE QD 1 16 LEU MD2 8.000 . 8.000 3.720 3.169 4.309 . 0 0 "[ . 1 . 2 . ]" 1
609 1 11 PHE QD 1 65 VAL MG2 8.000 . 8.000 3.192 2.845 3.926 . 0 0 "[ . 1 . 2 . ]" 1
610 1 11 PHE QE 1 65 VAL MG2 8.000 . 8.000 3.641 3.144 4.258 . 0 0 "[ . 1 . 2 . ]" 1
611 1 11 PHE HZ 1 65 VAL MG2 6.000 . 6.000 4.603 4.088 4.926 . 0 0 "[ . 1 . 2 . ]" 1
612 1 11 PHE HZ 1 15 VAL MG1 6.000 . 6.000 3.298 2.762 3.846 . 0 0 "[ . 1 . 2 . ]" 1
613 1 8 ASP HA 1 11 PHE QD 7.000 . 7.000 4.211 3.547 4.739 . 0 0 "[ . 1 . 2 . ]" 1
614 1 11 PHE QE 1 12 LYS HA 7.000 . 7.000 4.899 4.296 5.533 . 0 0 "[ . 1 . 2 . ]" 1
615 1 11 PHE QD 1 12 LYS HG2 7.000 . 7.000 3.882 2.562 5.173 . 0 0 "[ . 1 . 2 . ]" 1
616 1 12 LYS HB3 1 13 ASN HA 5.000 . 5.000 4.229 3.816 4.560 . 0 0 "[ . 1 . 2 . ]" 1
617 1 6 VAL HA 1 14 VAL MG1 6.000 . 6.000 4.663 3.677 4.795 . 0 0 "[ . 1 . 2 . ]" 1
618 1 13 ASN HB3 1 14 VAL MG1 6.000 . 6.000 5.378 4.965 5.855 . 0 0 "[ . 1 . 2 . ]" 1
619 1 10 THR MG 1 14 VAL MG2 7.000 . 7.000 3.494 3.141 4.974 . 0 0 "[ . 1 . 2 . ]" 1
620 1 14 VAL HA 1 15 VAL MG2 6.000 . 6.000 4.379 4.168 4.607 . 0 0 "[ . 1 . 2 . ]" 1
621 1 15 VAL MG1 1 80 PHE HB3 6.000 . 6.000 3.129 2.288 3.909 . 0 0 "[ . 1 . 2 . ]" 1
622 1 15 VAL MG1 1 22 VAL HB 6.000 . 6.000 2.962 2.441 4.282 . 0 0 "[ . 1 . 2 . ]" 1
623 1 14 VAL HB 1 15 VAL MG2 6.000 . 6.000 2.710 2.455 4.154 . 0 0 "[ . 1 . 2 . ]" 1
624 1 15 VAL HB 1 16 LEU HG 5.000 . 5.000 3.156 2.920 3.454 . 0 0 "[ . 1 . 2 . ]" 1
625 1 15 VAL MG2 1 22 VAL MG2 7.000 . 7.000 3.790 3.159 4.289 . 0 0 "[ . 1 . 2 . ]" 1
626 1 15 VAL MG1 1 22 VAL MG2 7.000 . 7.000 3.397 2.680 4.710 . 0 0 "[ . 1 . 2 . ]" 1
627 1 14 VAL MG1 1 15 VAL HB 6.000 . 6.000 4.742 3.221 4.857 . 0 0 "[ . 1 . 2 . ]" 1
628 1 14 VAL MG1 1 15 VAL MG2 7.000 . 7.000 2.527 1.822 2.672 . 0 0 "[ . 1 . 2 . ]" 1
629 1 6 VAL MG2 1 15 VAL MG2 7.000 . 7.000 2.603 2.112 2.923 . 0 0 "[ . 1 . 2 . ]" 1
630 1 15 VAL MG2 1 55 VAL MG1 7.000 . 7.000 3.341 2.156 3.929 . 0 0 "[ . 1 . 2 . ]" 1
631 1 12 LYS HA 1 16 LEU HG 5.000 . 5.000 2.729 2.398 3.341 . 0 0 "[ . 1 . 2 . ]" 1
632 1 12 LYS HA 1 16 LEU MD1 6.000 . 6.000 2.349 2.195 2.654 . 0 0 "[ . 1 . 2 . ]" 1
633 1 12 LYS QE 1 16 LEU MD1 6.000 . 6.000 3.491 2.024 4.422 . 0 0 "[ . 1 . 2 . ]" 1
634 1 13 ASN HA 1 17 GLU QB 5.000 . 5.000 2.301 2.111 2.827 . 0 0 "[ . 1 . 2 . ]" 1
635 1 18 SER HA 1 19 SER HA 5.000 . 5.000 4.506 4.371 4.802 . 0 0 "[ . 1 . 2 . ]" 1
636 1 19 SER HA 1 20 VAL HA 5.000 . 5.000 4.745 4.697 4.813 . 0 0 "[ . 1 . 2 . ]" 1
637 1 20 VAL MG1 1 51 LYS HA 6.000 . 6.000 3.482 2.047 4.451 . 0 0 "[ . 1 . 2 . ]" 1
638 1 20 VAL MG2 1 21 PRO HD3 6.000 . 6.000 4.435 4.163 4.693 . 0 0 "[ . 1 . 2 . ]" 1
639 1 22 VAL HA 1 23 LEU QB 5.000 . 5.000 4.032 3.836 4.188 . 0 0 "[ . 1 . 2 . ]" 1
640 1 23 LEU MD2 1 24 VAL H 6.000 . 6.000 3.579 2.387 5.056 . 0 0 "[ . 1 . 2 . ]" 1
641 1 23 LEU MD1 1 24 VAL H 6.000 . 6.000 4.825 3.619 5.086 . 0 0 "[ . 1 . 2 . ]" 1
642 1 23 LEU H 1 24 VAL H 5.000 . 5.000 4.178 3.933 4.484 . 0 0 "[ . 1 . 2 . ]" 1
643 1 26 PHE HZ 1 69 TYR QE 7.000 . 7.000 4.177 2.807 5.191 . 0 0 "[ . 1 . 2 . ]" 1
644 1 26 PHE HZ 1 66 ALA HA 5.000 . 5.000 4.402 3.975 5.014 0.014 28 0 "[ . 1 . 2 . ]" 1
645 1 26 PHE QE 1 78 MET HG2 7.000 . 7.000 4.075 3.021 4.836 . 0 0 "[ . 1 . 2 . ]" 1
646 1 26 PHE QE 1 78 MET HG3 7.000 . 7.000 2.741 2.437 3.256 . 0 0 "[ . 1 . 2 . ]" 1
647 1 24 VAL HB 1 26 PHE QE 7.000 . 7.000 3.912 2.623 5.583 . 0 0 "[ . 1 . 2 . ]" 1
648 1 26 PHE QE 1 78 MET HB3 7.000 . 7.000 3.889 3.583 4.448 . 0 0 "[ . 1 . 2 . ]" 1
649 1 26 PHE QD 1 66 ALA MB 8.000 . 8.000 2.721 2.205 3.539 . 0 0 "[ . 1 . 2 . ]" 1
650 1 26 PHE QE 1 66 ALA MB 8.000 . 8.000 3.100 2.582 3.864 . 0 0 "[ . 1 . 2 . ]" 1
651 1 26 PHE QD 1 76 THR MG 8.000 . 8.000 3.493 2.955 3.878 . 0 0 "[ . 1 . 2 . ]" 1
652 1 26 PHE QD 1 74 ILE MG 8.000 . 8.000 3.754 3.320 4.017 . 0 0 "[ . 1 . 2 . ]" 1
653 1 26 PHE QE 1 57 LEU MD1 8.000 . 8.000 3.668 2.482 4.833 . 0 0 "[ . 1 . 2 . ]" 1
654 1 26 PHE QE 1 65 VAL MG2 8.000 . 8.000 4.427 2.651 5.010 . 0 0 "[ . 1 . 2 . ]" 1
655 1 26 PHE HZ 1 65 VAL MG2 6.000 . 6.000 5.025 3.714 5.707 . 0 0 "[ . 1 . 2 . ]" 1
656 1 24 VAL MG1 1 26 PHE QD 8.000 . 8.000 3.471 2.625 5.305 . 0 0 "[ . 1 . 2 . ]" 1
657 1 24 VAL MG1 1 26 PHE QE 8.000 . 8.000 3.025 2.298 4.735 . 0 0 "[ . 1 . 2 . ]" 1
658 1 24 VAL MG1 1 26 PHE HZ 6.000 . 6.000 4.220 3.440 5.674 . 0 0 "[ . 1 . 2 . ]" 1
659 1 26 PHE QE 1 71 ILE MD 8.000 . 8.000 2.820 2.423 3.372 . 0 0 "[ . 1 . 2 . ]" 1
660 1 26 PHE QD 1 71 ILE MD 8.000 . 8.000 2.688 2.035 3.085 . 0 0 "[ . 1 . 2 . ]" 1
661 1 26 PHE HZ 1 71 ILE MD 6.000 . 6.000 3.405 2.846 4.926 . 0 0 "[ . 1 . 2 . ]" 1
662 1 26 PHE HZ 1 69 TYR HB2 5.000 . 5.000 4.124 3.179 4.759 . 0 0 "[ . 1 . 2 . ]" 1
663 1 26 PHE HZ 1 69 TYR HB3 5.000 . 5.000 4.787 3.472 5.053 0.053 12 0 "[ . 1 . 2 . ]" 1
664 1 26 PHE HA 1 57 LEU HB3 5.000 . 5.000 2.560 2.239 4.070 . 0 0 "[ . 1 . 2 . ]" 1
665 1 26 PHE HA 1 74 ILE MG 6.000 . 6.000 4.084 3.846 4.336 . 0 0 "[ . 1 . 2 . ]" 1
666 1 26 PHE QD 1 78 MET HG2 7.000 . 7.000 4.684 2.712 5.888 . 0 0 "[ . 1 . 2 . ]" 1
667 1 26 PHE HA 1 27 TRP HD1 5.000 . 5.000 3.536 3.395 3.805 . 0 0 "[ . 1 . 2 . ]" 1
668 1 27 TRP HH2 1 29 PRO HA 5.000 . 5.000 4.342 4.011 4.745 . 0 0 "[ . 1 . 2 . ]" 1
669 1 27 TRP HE3 1 29 PRO HA 5.000 . 5.000 3.354 2.741 3.762 . 0 0 "[ . 1 . 2 . ]" 1
670 1 27 TRP HZ3 1 29 PRO HA 3.300 . 3.300 2.260 2.016 2.643 . 0 0 "[ . 1 . 2 . ]" 1
671 1 27 TRP HZ2 1 58 ASN HA 5.000 . 5.000 4.045 3.872 4.271 . 0 0 "[ . 1 . 2 . ]" 1
672 1 27 TRP HD1 1 58 ASN HA 5.000 . 5.000 3.586 3.392 3.758 . 0 0 "[ . 1 . 2 . ]" 1
673 1 27 TRP HE3 1 34 CYS HB2 5.000 . 5.000 3.529 3.292 3.689 . 0 0 "[ . 1 . 2 . ]" 1
674 1 27 TRP HA 1 34 CYS HB3 5.000 . 5.000 3.237 2.657 3.754 . 0 0 "[ . 1 . 2 . ]" 1
675 1 27 TRP HE3 1 29 PRO QD 5.000 . 5.000 3.887 3.391 4.062 . 0 0 "[ . 1 . 2 . ]" 1
676 1 27 TRP HE3 1 28 ALA HA 5.000 . 5.000 3.572 3.352 3.729 . 0 0 "[ . 1 . 2 . ]" 1
677 1 27 TRP HZ2 1 58 ASN QB 5.000 . 5.000 2.564 2.403 3.221 . 0 0 "[ . 1 . 2 . ]" 1
678 1 27 TRP HA 1 31 CYS HB3 5.000 . 5.000 3.709 3.148 4.065 . 0 0 "[ . 1 . 2 . ]" 1
679 1 27 TRP HH2 1 29 PRO HB3 5.000 . 5.000 3.745 2.986 4.758 . 0 0 "[ . 1 . 2 . ]" 1
680 1 27 TRP HZ3 1 29 PRO HB3 5.000 . 5.000 2.954 2.136 3.753 . 0 0 "[ . 1 . 2 . ]" 1
681 1 27 TRP HZ3 1 29 PRO HG2 5.000 . 5.000 4.909 4.037 5.210 0.210 24 0 "[ . 1 . 2 . ]" 1
682 1 27 TRP HA 1 74 ILE HB 5.000 . 5.000 2.969 2.719 3.379 . 0 0 "[ . 1 . 2 . ]" 1
683 1 27 TRP HD1 1 56 LYS QB 5.000 . 5.000 2.658 2.265 3.017 . 0 0 "[ . 1 . 2 . ]" 1
684 1 27 TRP HE3 1 28 ALA MB 5.000 . 6.000 4.384 4.263 4.490 . 0 0 "[ . 1 . 2 . ]" 1
685 1 27 TRP HZ3 1 28 ALA MB 5.000 . 6.000 5.059 4.924 5.148 . 0 0 "[ . 1 . 2 . ]" 1
686 1 27 TRP HA 1 74 ILE MD 5.000 . 6.000 2.417 2.210 2.651 . 0 0 "[ . 1 . 2 . ]" 1
687 1 27 TRP HD1 1 57 LEU HA 5.000 . 5.000 4.029 3.683 4.211 . 0 0 "[ . 1 . 2 . ]" 1
688 1 27 TRP HZ2 1 28 ALA HA 5.000 . 5.000 4.810 4.603 5.114 0.114 18 0 "[ . 1 . 2 . ]" 1
689 1 27 TRP HZ2 1 29 PRO QD 5.000 . 5.000 4.058 3.512 4.830 . 0 0 "[ . 1 . 2 . ]" 1
690 1 27 TRP HE3 1 31 CYS HB3 5.000 . 5.000 4.004 3.697 4.409 . 0 0 "[ . 1 . 2 . ]" 1
691 1 27 TRP HE3 1 29 PRO HB3 5.000 . 5.000 4.973 4.101 5.326 0.326 22 0 "[ . 1 . 2 . ]" 1
692 1 27 TRP HA 1 34 CYS HA 5.000 . 5.000 5.009 4.736 5.139 0.139 5 0 "[ . 1 . 2 . ]" 1
693 1 27 TRP HE3 1 34 CYS HB3 5.000 . 5.000 3.913 3.393 4.147 . 0 0 "[ . 1 . 2 . ]" 1
694 1 27 TRP HE3 1 34 CYS HA 6.000 . 6.000 5.965 5.536 6.098 0.098 24 0 "[ . 1 . 2 . ]" 1
695 1 27 TRP HZ3 1 28 ALA HA 5.000 . 5.000 4.172 3.914 4.343 . 0 0 "[ . 1 . 2 . ]" 1
696 1 28 ALA MB 1 31 CYS HA 6.000 . 6.000 4.196 3.589 4.671 . 0 0 "[ . 1 . 2 . ]" 1
697 1 28 ALA HA 1 29 PRO HG3 5.000 . 5.000 4.689 4.239 4.843 . 0 0 "[ . 1 . 2 . ]" 1
698 1 30 TRP HZ3 1 31 CYS HA 5.000 . 5.000 3.417 2.918 3.929 . 0 0 "[ . 1 . 2 . ]" 1
699 1 30 TRP HE3 1 31 CYS HA 5.000 . 5.000 2.605 2.426 2.888 . 0 0 "[ . 1 . 2 . ]" 1
700 1 28 ALA MB 1 30 TRP HZ2 6.000 . 6.000 3.125 2.938 3.273 . 0 0 "[ . 1 . 2 . ]" 1
701 1 28 ALA MB 1 30 TRP HE3 6.000 . 6.000 4.047 3.482 4.800 . 0 0 "[ . 1 . 2 . ]" 1
702 1 30 TRP HZ2 1 74 ILE MD 7.000 . 7.000 3.075 2.619 3.504 . 0 0 "[ . 1 . 2 . ]" 1
703 1 30 TRP HH2 1 74 ILE MD 6.000 . 6.000 2.531 2.315 2.788 . 0 0 "[ . 1 . 2 . ]" 1
704 1 30 TRP HZ3 1 74 ILE MD 6.000 . 6.000 3.293 2.751 3.959 . 0 0 "[ . 1 . 2 . ]" 1
705 1 30 TRP HE3 1 31 CYS HB3 5.000 . 5.000 4.828 4.489 5.073 0.073 6 0 "[ . 1 . 2 . ]" 1
706 1 30 TRP HE3 1 74 ILE MD 6.000 . 6.000 4.199 3.493 4.725 . 0 0 "[ . 1 . 2 . ]" 1
707 1 30 TRP HE3 1 31 CYS HB2 5.000 . 5.000 3.607 3.220 4.141 . 0 0 "[ . 1 . 2 . ]" 1
708 1 32 GLY HA3 1 33 PRO HD2 5.000 . 5.000 3.129 2.696 3.601 . 0 0 "[ . 1 . 2 . ]" 1
709 1 32 GLY HA2 1 33 PRO HD3 5.000 . 5.000 4.043 3.803 4.363 . 0 0 "[ . 1 . 2 . ]" 1
710 1 35 ARG HA 1 36 ILE MG 6.000 . 6.000 4.832 4.606 4.914 . 0 0 "[ . 1 . 2 . ]" 1
711 1 32 GLY HA2 1 36 ILE QG 5.000 . 5.000 4.642 4.307 4.905 . 0 0 "[ . 1 . 2 . ]" 1
712 1 33 PRO HA 1 36 ILE MD 5.000 . 6.000 2.683 2.223 3.123 . 0 0 "[ . 1 . 2 . ]" 1
713 1 37 ILE MD 1 92 ALA HA 6.000 . 6.000 3.276 2.194 4.784 . 0 0 "[ . 1 . 2 . ]" 1
714 1 40 VAL MG1 1 41 VAL HA 6.000 . 6.000 3.890 2.979 5.607 . 0 0 "[ . 1 . 2 . ]" 1
715 1 39 PRO HD2 1 40 VAL MG1 6.000 . 6.000 4.935 3.925 5.438 . 0 0 "[ . 1 . 2 . ]" 1
716 1 38 ALA HA 1 41 VAL QG 6.000 . 6.000 2.383 1.923 2.589 . 0 0 "[ . 1 . 2 . ]" 1
717 1 44 ILE MG 1 45 ALA HA 6.000 . 6.000 3.449 3.202 4.753 . 0 0 "[ . 1 . 2 . ]" 1
718 1 43 GLU HA 1 44 ILE HA 5.000 . 5.000 4.833 4.692 4.923 . 0 0 "[ . 1 . 2 . ]" 1
719 1 44 ILE QG 1 95 LYS HE3 5.000 . 5.000 3.744 2.413 5.575 0.575 4 2 "[ +. 1 . - 2 . ]" 1
720 1 43 GLU HG2 1 44 ILE MG 6.000 . 6.000 5.356 4.978 6.496 0.496 2 0 "[ . 1 . 2 . ]" 1
721 1 44 ILE HA 1 45 ALA MB 6.000 . 6.000 5.029 4.984 5.060 . 0 0 "[ . 1 . 2 . ]" 1
722 1 3 ALA HA 1 45 ALA MB 6.000 . 6.000 2.846 2.196 4.038 . 0 0 "[ . 1 . 2 . ]" 1
723 1 46 GLY QA 1 49 LYS HA 6.000 . 6.000 4.614 3.765 5.220 . 0 0 "[ . 1 . 2 . ]" 1
724 1 47 GLU HB2 1 48 TYR HA 5.000 . 5.000 4.558 4.124 4.905 . 0 0 "[ . 1 . 2 . ]" 1
725 1 44 ILE HA 1 47 GLU HB2 5.000 . 5.000 2.602 2.251 3.078 . 0 0 "[ . 1 . 2 . ]" 1
726 1 47 GLU HA 1 48 TYR QD 7.000 . 7.000 5.045 4.330 5.914 . 0 0 "[ . 1 . 2 . ]" 1
727 1 48 TYR QD 1 51 LYS QE 7.000 . 7.000 3.944 2.394 6.015 . 0 0 "[ . 1 . 2 . ]" 1
728 1 47 GLU QG 1 48 TYR QE 7.000 . 7.000 4.805 4.001 5.816 . 0 0 "[ . 1 . 2 . ]" 1
729 1 48 TYR QD 1 51 LYS QB 7.000 . 7.000 4.742 3.121 6.209 . 0 0 "[ . 1 . 2 . ]" 1
730 1 47 GLU HB2 1 48 TYR QD 7.000 . 7.000 2.970 2.190 4.123 . 0 0 "[ . 1 . 2 . ]" 1
731 1 47 GLU HB2 1 48 TYR QE 7.000 . 7.000 3.563 2.700 4.559 . 0 0 "[ . 1 . 2 . ]" 1
732 1 48 TYR QE 1 99 VAL MG2 8.000 . 8.000 2.929 2.303 3.811 . 0 0 "[ . 1 . 2 . ]" 1
733 1 48 TYR QE 1 99 VAL MG1 8.000 . 8.000 3.233 2.434 3.913 . 0 0 "[ . 1 . 2 . ]" 1
734 1 44 ILE MG 1 48 TYR QD 8.000 . 8.000 2.420 2.100 3.807 . 0 0 "[ . 1 . 2 . ]" 1
735 1 44 ILE MG 1 48 TYR QE 8.000 . 8.000 2.816 2.100 3.839 . 0 0 "[ . 1 . 2 . ]" 1
736 1 48 TYR QE 1 102 VAL QG 8.000 . 8.000 3.777 2.272 5.144 . 0 0 "[ . 1 . 2 . ]" 1
737 1 44 ILE HA 1 48 TYR QD 7.000 . 7.000 3.771 2.445 5.269 . 0 0 "[ . 1 . 2 . ]" 1
738 1 48 TYR QE 1 99 VAL HA 7.000 . 7.000 4.038 2.638 5.331 . 0 0 "[ . 1 . 2 . ]" 1
739 1 47 GLU HA 1 48 TYR QE 7.000 . 7.000 5.801 5.098 6.549 . 0 0 "[ . 1 . 2 . ]" 1
740 1 21 PRO HD2 1 51 LYS QB 5.000 . 5.000 4.037 2.343 5.025 0.025 21 0 "[ . 1 . 2 . ]" 1
741 1 48 TYR HB2 1 52 LEU QB 5.000 . 5.000 2.764 2.215 4.391 . 0 0 "[ . 1 . 2 . ]" 1
742 1 48 TYR HB2 1 52 LEU MD1 6.000 . 6.000 4.980 3.961 5.997 . 0 0 "[ . 1 . 2 . ]" 1
743 1 48 TYR HB3 1 52 LEU QB 5.000 . 5.000 2.408 2.005 3.487 . 0 0 "[ . 1 . 2 . ]" 1
744 1 48 TYR HB3 1 52 LEU MD1 6.000 . 6.000 4.521 3.435 6.073 0.073 4 0 "[ . 1 . 2 . ]" 1
745 1 51 LYS QB 1 52 LEU MD1 6.000 . 6.000 4.107 2.518 5.076 . 0 0 "[ . 1 . 2 . ]" 1
746 1 52 LEU MD1 1 102 VAL QG 5.300 . 5.300 3.028 1.999 4.870 . 0 0 "[ . 1 . 2 . ]" 1
747 1 52 LEU MD1 1 79 VAL MG1 7.000 . 7.000 3.487 2.306 6.069 . 0 0 "[ . 1 . 2 . ]" 1
748 1 21 PRO HG3 1 52 LEU MD1 6.000 . 6.000 4.155 3.137 5.026 . 0 0 "[ . 1 . 2 . ]" 1
749 1 53 LYS HA 1 55 VAL MG2 6.000 . 6.000 4.718 3.814 6.620 0.620 26 1 "[ . 1 . 2 .+ ]" 1
750 1 20 VAL HB 1 53 LYS H 5.000 . 5.000 4.523 3.541 5.065 0.065 18 0 "[ . 1 . 2 . ]" 1
751 1 54 CYS HA 1 55 VAL HA 5.000 . 5.000 4.450 4.247 4.536 . 0 0 "[ . 1 . 2 . ]" 1
752 1 45 ALA HA 1 54 CYS HB3 5.000 . 5.000 3.303 2.361 5.037 0.037 4 0 "[ . 1 . 2 . ]" 1
753 1 45 ALA HA 1 54 CYS HB2 5.000 . 5.000 3.009 2.338 4.586 . 0 0 "[ . 1 . 2 . ]" 1
754 1 3 ALA HA 1 54 CYS HA 5.000 . 5.000 4.737 4.198 5.039 0.039 5 0 "[ . 1 . 2 . ]" 1
755 1 54 CYS HA 1 55 VAL MG2 6.000 . 6.000 3.302 2.940 4.173 . 0 0 "[ . 1 . 2 . ]" 1
756 1 54 CYS HA 1 55 VAL MG1 6.000 . 6.000 4.781 3.486 5.230 . 0 0 "[ . 1 . 2 . ]" 1
757 1 41 VAL QG 1 54 CYS HA 6.000 . 6.000 4.315 3.568 4.737 . 0 0 "[ . 1 . 2 . ]" 1
758 1 53 LYS QD 1 54 CYS HA 5.000 . 5.000 4.252 3.753 4.564 . 0 0 "[ . 1 . 2 . ]" 1
759 1 23 LEU QB 1 54 CYS HA 5.000 . 5.000 2.444 2.125 3.518 . 0 0 "[ . 1 . 2 . ]" 1
760 1 24 VAL HA 1 55 VAL MG2 6.000 . 6.000 2.734 1.958 4.136 . 0 0 "[ . 1 . 2 . ]" 1
761 1 4 GLY HA2 1 55 VAL MG1 6.000 . 6.000 3.687 3.427 4.112 . 0 0 "[ . 1 . 2 . ]" 1
762 1 4 GLY HA3 1 55 VAL MG1 6.000 . 6.000 2.370 2.086 2.932 . 0 0 "[ . 1 . 2 . ]" 1
763 1 55 VAL HA 1 56 LYS QE 5.000 . 5.000 4.279 3.835 4.566 . 0 0 "[ . 1 . 2 . ]" 1
764 1 55 VAL MG1 1 56 LYS QB 6.000 . 6.000 4.310 4.072 5.609 . 0 0 "[ . 1 . 2 . ]" 1
765 1 6 VAL MG2 1 55 VAL MG1 7.000 . 7.000 2.516 1.997 3.617 . 0 0 "[ . 1 . 2 . ]" 1
766 1 6 VAL MG1 1 55 VAL MG1 5.300 . 5.300 2.086 1.863 3.102 . 0 0 "[ . 1 . 2 . ]" 1
767 1 24 VAL MG2 1 55 VAL MG2 5.300 . 5.300 2.957 1.975 4.536 . 0 0 "[ . 1 . 2 . ]" 1
768 1 24 VAL MG2 1 55 VAL H 6.000 . 6.000 4.504 3.842 5.625 . 0 0 "[ . 1 . 2 . ]" 1
769 1 3 ALA MB 1 55 VAL HA 6.000 . 6.000 3.027 2.259 4.077 . 0 0 "[ . 1 . 2 . ]" 1
770 1 27 TRP HB3 1 56 LYS QD 5.000 . 5.000 4.020 3.478 4.471 . 0 0 "[ . 1 . 2 . ]" 1
771 1 24 VAL MG1 1 56 LYS HA 6.000 . 6.000 4.505 3.317 5.840 . 0 0 "[ . 1 . 2 . ]" 1
772 1 57 LEU MD2 1 58 ASN HA 6.000 . 6.000 4.892 3.743 6.030 0.030 21 0 "[ . 1 . 2 . ]" 1
773 1 57 LEU HB3 1 62 SER QB 5.000 . 5.000 4.815 4.171 5.350 0.350 22 0 "[ . 1 . 2 . ]" 1
774 1 57 LEU MD1 1 62 SER QB 6.000 . 6.000 2.318 1.927 2.963 . 0 0 "[ . 1 . 2 . ]" 1
775 1 57 LEU MD2 1 59 THR HA 6.000 . 6.000 3.663 2.112 5.005 . 0 0 "[ . 1 . 2 . ]" 1
776 1 11 PHE HB3 1 57 LEU MD1 6.000 . 6.000 4.825 3.451 6.664 0.664 23 4 "[ . 1* * . 2 + .- ]" 1
777 1 57 LEU HA 1 58 ASN QB 5.000 . 5.000 4.134 3.891 4.271 . 0 0 "[ . 1 . 2 . ]" 1
778 1 59 THR MG 1 60 ASP HA 6.000 . 6.000 3.926 3.246 4.437 . 0 0 "[ . 1 . 2 . ]" 1
779 1 59 THR MG 1 63 PRO HA 6.000 . 6.000 3.208 2.653 3.701 . 0 0 "[ . 1 . 2 . ]" 1
780 1 59 THR HA 1 62 SER QB 5.000 . 5.000 3.222 2.422 4.063 . 0 0 "[ . 1 . 2 . ]" 1
781 1 59 THR MG 1 66 ALA HA 6.000 . 6.000 4.262 3.501 4.788 . 0 0 "[ . 1 . 2 . ]" 1
782 1 59 THR MG 1 60 ASP HB3 6.000 . 6.000 5.611 4.963 6.027 0.027 17 0 "[ . 1 . 2 . ]" 1
783 1 29 PRO QD 1 60 ASP HB2 5.000 . 5.000 3.691 2.946 4.811 . 0 0 "[ . 1 . 2 . ]" 1
784 1 58 ASN QB 1 61 GLU QB 5.000 . 5.000 2.270 2.092 3.732 . 0 0 "[ . 1 . 2 . ]" 1
785 1 61 GLU HA 1 62 SER HA 5.000 . 5.000 4.674 4.540 4.734 . 0 0 "[ . 1 . 2 . ]" 1
786 1 64 ASN HA 1 65 VAL MG1 6.000 . 6.000 6.089 4.926 6.200 0.200 9 0 "[ . 1 . 2 . ]" 1
787 1 65 VAL MG2 1 66 ALA HA 6.000 . 6.000 5.344 4.070 5.516 . 0 0 "[ . 1 . 2 . ]" 1
788 1 64 ASN HB2 1 65 VAL MG1 6.000 . 6.000 5.119 3.391 5.359 . 0 0 "[ . 1 . 2 . ]" 1
789 1 65 VAL MG2 1 66 ALA MB 7.000 . 7.000 4.858 3.461 5.171 . 0 0 "[ . 1 . 2 . ]" 1
790 1 59 THR HB 1 66 ALA MB 6.000 . 6.000 4.669 4.332 5.021 . 0 0 "[ . 1 . 2 . ]" 1
791 1 66 ALA MB 1 69 TYR HB2 6.000 . 6.000 4.605 4.116 4.989 . 0 0 "[ . 1 . 2 . ]" 1
792 1 68 GLU HB2 1 69 TYR HA 5.000 . 5.000 4.554 4.458 4.656 . 0 0 "[ . 1 . 2 . ]" 1
793 1 68 GLU HB3 1 69 TYR HA 5.000 . 5.000 4.417 4.333 4.527 . 0 0 "[ . 1 . 2 . ]" 1
794 1 65 VAL HA 1 68 GLU HB3 5.000 . 5.000 4.058 3.845 4.338 . 0 0 "[ . 1 . 2 . ]" 1
795 1 66 ALA HA 1 69 TYR QD 7.000 . 7.000 4.045 3.249 4.784 . 0 0 "[ . 1 . 2 . ]" 1
796 1 68 GLU HB2 1 69 TYR QE 7.000 . 7.000 4.500 3.943 5.220 . 0 0 "[ . 1 . 2 . ]" 1
797 1 68 GLU HB2 1 69 TYR QD 7.000 . 7.000 3.441 2.602 4.378 . 0 0 "[ . 1 . 2 . ]" 1
798 1 69 TYR QD 1 85 LYS HD2 7.000 . 7.000 4.113 2.562 7.193 0.193 18 0 "[ . 1 . 2 . ]" 1
799 1 68 GLU HB3 1 69 TYR QE 7.000 . 7.000 4.872 4.166 5.704 . 0 0 "[ . 1 . 2 . ]" 1
800 1 65 VAL MG2 1 69 TYR QD 8.000 . 8.000 4.388 3.973 4.818 . 0 0 "[ . 1 . 2 . ]" 1
801 1 65 VAL MG2 1 69 TYR QE 8.000 . 8.000 4.294 3.658 5.111 . 0 0 "[ . 1 . 2 . ]" 1
802 1 69 TYR QD 1 71 ILE MD 8.000 . 8.000 4.125 3.088 5.978 . 0 0 "[ . 1 . 2 . ]" 1
803 1 69 TYR QD 1 70 GLY HA3 7.000 . 7.000 6.065 5.815 6.241 . 0 0 "[ . 1 . 2 . ]" 1
804 1 69 TYR QE 1 84 LYS QD 8.000 . 8.000 6.020 4.686 6.538 . 0 0 "[ . 1 . 2 . ]" 1
805 1 16 LEU MD2 1 69 TYR QE 8.000 . 8.000 3.610 2.601 4.316 . 0 0 "[ . 1 . 2 . ]" 1
806 1 70 GLY HA2 1 71 ILE QG 5.000 . 5.000 4.387 3.682 4.620 . 0 0 "[ . 1 . 2 . ]" 1
807 1 26 PHE HB2 1 71 ILE MD 6.000 . 6.000 3.126 2.537 3.888 . 0 0 "[ . 1 . 2 . ]" 1
808 1 69 TYR HB2 1 71 ILE MD 6.000 . 6.000 3.306 2.334 4.847 . 0 0 "[ . 1 . 2 . ]" 1
809 1 66 ALA MB 1 71 ILE MD 7.000 . 7.000 3.011 2.044 4.322 . 0 0 "[ . 1 . 2 . ]" 1
810 1 71 ILE MG 1 76 THR MG 7.000 . 7.000 2.611 2.121 3.713 . 0 0 "[ . 1 . 2 . ]" 1
811 1 71 ILE MD 1 76 THR MG 7.000 . 7.000 2.534 1.989 4.238 . 0 0 "[ . 1 . 2 . ]" 1
812 1 65 VAL MG2 1 71 ILE MD 7.000 . 7.000 6.094 4.633 6.837 . 0 0 "[ . 1 . 2 . ]" 1
813 1 72 ARG HG2 1 73 SER QB 5.000 . 5.000 4.090 2.434 5.672 0.672 1 2 "[+ . 1 . 2 . - ]" 1
814 1 73 SER HA 1 74 ILE MG 6.000 . 6.000 3.684 3.444 4.061 . 0 0 "[ . 1 . 2 . ]" 1
815 1 59 THR HB 1 74 ILE MD 6.000 . 6.000 2.387 2.153 2.652 . 0 0 "[ . 1 . 2 . ]" 1
816 1 31 CYS HB2 1 74 ILE MD 6.000 . 6.000 2.181 2.030 2.311 . 0 0 "[ . 1 . 2 . ]" 1
817 1 31 CYS HB3 1 74 ILE MD 6.000 . 6.000 3.071 2.763 3.565 . 0 0 "[ . 1 . 2 . ]" 1
818 1 59 THR MG 1 74 ILE MD 7.000 . 7.000 2.801 2.507 3.043 . 0 0 "[ . 1 . 2 . ]" 1
819 1 28 ALA MB 1 74 ILE MD 3.300 . 5.300 2.065 1.958 2.232 . 0 0 "[ . 1 . 2 . ]" 1
820 1 59 THR HB 1 74 ILE HG12 5.000 . 5.000 4.554 4.055 4.851 . 0 0 "[ . 1 . 2 . ]" 1
821 1 75 PRO HG2 1 90 ILE HA 5.000 . 5.000 4.566 3.409 5.052 0.052 2 0 "[ . 1 . 2 . ]" 1
822 1 75 PRO HG3 1 92 ALA HA 5.000 . 5.000 3.427 2.467 4.844 . 0 0 "[ . 1 . 2 . ]" 1
823 1 33 PRO HD3 1 75 PRO HD3 5.000 . 5.000 5.092 4.535 5.815 0.815 3 6 "[ + . ** * * 2 -. ]" 1
824 1 75 PRO HA 1 76 THR HB 5.000 . 5.000 4.363 4.251 4.478 . 0 0 "[ . 1 . 2 . ]" 1
825 1 76 THR MG 1 90 ILE HA 6.000 . 6.000 3.698 2.974 4.781 . 0 0 "[ . 1 . 2 . ]" 1
826 1 76 THR HA 1 90 ILE MG 6.000 . 6.000 3.578 2.852 4.298 . 0 0 "[ . 1 . 2 . ]" 1
827 1 76 THR HA 1 90 ILE HG13 5.000 . 5.000 4.323 2.661 5.256 0.256 20 0 "[ . 1 . 2 . ]" 1
828 1 77 ILE H 1 89 ILE MG 6.000 . 6.000 4.479 3.964 5.062 . 0 0 "[ . 1 . 2 . ]" 1
829 1 24 VAL MG1 1 77 ILE HA 6.000 . 6.000 4.907 4.258 6.035 0.035 22 0 "[ . 1 . 2 . ]" 1
830 1 25 ASP HB3 1 77 ILE HA 5.000 . 5.000 5.021 4.706 5.200 0.200 19 0 "[ . 1 . 2 . ]" 1
831 1 69 TYR HB2 1 78 MET ME 6.000 . 6.000 3.384 2.404 4.326 . 0 0 "[ . 1 . 2 . ]" 1
832 1 24 VAL MG2 1 78 MET H 6.000 . 6.000 4.132 2.648 4.927 . 0 0 "[ . 1 . 2 . ]" 1
833 1 77 ILE HG13 1 78 MET H 5.000 . 5.000 4.720 2.987 5.385 0.385 13 0 "[ . 1 . 2 . ]" 1
834 1 79 VAL HB 1 87 GLU HA 5.000 . 5.000 4.551 3.989 5.091 0.091 27 0 "[ . 1 . 2 . ]" 1
835 1 79 VAL MG2 1 102 VAL HA 6.000 . 6.000 3.878 2.794 4.775 . 0 0 "[ . 1 . 2 . ]" 1
836 1 79 VAL MG1 1 80 PHE HB2 6.000 . 6.000 4.714 4.370 5.113 . 0 0 "[ . 1 . 2 . ]" 1
837 1 21 PRO HB3 1 79 VAL MG1 6.000 . 6.000 3.395 2.637 4.004 . 0 0 "[ . 1 . 2 . ]" 1
838 1 79 VAL MG1 1 81 LYS QD 6.000 . 6.000 4.030 2.654 4.425 . 0 0 "[ . 1 . 2 . ]" 1
839 1 23 LEU HG 1 79 VAL MG1 6.000 . 6.000 4.689 3.817 6.463 0.463 27 0 "[ . 1 . 2 . ]" 1
840 1 79 VAL MG2 1 101 THR MG 7.000 . 7.000 4.441 3.924 5.079 . 0 0 "[ . 1 . 2 . ]" 1
841 1 78 MET HB2 1 79 VAL HA 5.000 . 5.000 4.891 4.459 5.121 0.121 22 0 "[ . 1 . 2 . ]" 1
842 1 79 VAL HA 1 80 PHE QD 7.000 . 7.000 3.499 2.936 4.290 . 0 0 "[ . 1 . 2 . ]" 1
843 1 80 PHE QD 1 84 LYS HA 7.000 . 7.000 3.346 2.381 4.015 . 0 0 "[ . 1 . 2 . ]" 1
844 1 80 PHE QD 1 81 LYS QE 8.000 . 8.000 5.898 5.111 6.621 . 0 0 "[ . 1 . 2 . ]" 1
845 1 80 PHE HA 1 81 LYS QE 6.000 . 6.000 4.576 2.795 5.202 . 0 0 "[ . 1 . 2 . ]" 1
846 1 24 VAL HB 1 80 PHE QE 7.000 . 7.000 3.676 2.223 5.423 . 0 0 "[ . 1 . 2 . ]" 1
847 1 78 MET HB3 1 80 PHE QE 7.000 . 7.000 2.821 2.274 3.547 . 0 0 "[ . 1 . 2 . ]" 1
848 1 22 VAL HB 1 80 PHE QD 7.000 . 7.000 3.889 2.394 5.844 . 0 0 "[ . 1 . 2 . ]" 1
849 1 78 MET ME 1 80 PHE QE 8.000 . 8.000 4.648 2.529 5.323 . 0 0 "[ . 1 . 2 . ]" 1
850 1 80 PHE HZ 1 85 LYS HD2 5.000 . 5.000 4.249 3.358 5.055 0.055 5 0 "[ . 1 . 2 . ]" 1
851 1 80 PHE QD 1 85 LYS QG 8.000 . 8.000 3.769 2.661 5.165 . 0 0 "[ . 1 . 2 . ]" 1
852 1 79 VAL MG2 1 80 PHE QD 8.000 . 8.000 5.146 4.671 5.615 . 0 0 "[ . 1 . 2 . ]" 1
853 1 26 PHE HZ 1 80 PHE QE 7.000 . 7.000 4.069 2.667 5.331 . 0 0 "[ . 1 . 2 . ]" 1
854 1 24 VAL H 1 80 PHE H 5.000 . 5.000 4.315 3.490 4.858 . 0 0 "[ . 1 . 2 . ]" 1
855 1 80 PHE QE 1 84 LYS HA 7.000 . 7.000 4.006 2.698 4.768 . 0 0 "[ . 1 . 2 . ]" 1
856 1 78 MET HG3 1 80 PHE QE 7.000 . 7.000 4.161 2.978 4.674 . 0 0 "[ . 1 . 2 . ]" 1
857 1 15 VAL MG1 1 80 PHE HZ 6.000 . 6.000 3.800 2.999 4.358 . 0 0 "[ . 1 . 2 . ]" 1
858 1 81 LYS QD 1 82 GLY HA3 5.000 . 5.000 4.167 3.250 4.565 . 0 0 "[ . 1 . 2 . ]" 1
859 1 81 LYS HA 1 82 GLY HA3 5.000 . 5.000 4.624 4.296 5.253 0.253 7 0 "[ . 1 . 2 . ]" 1
860 1 83 GLY HA2 1 84 LYS HG2 5.000 . 5.000 4.978 4.170 5.608 0.608 9 3 "[ . +1 . 2 . *-]" 1
861 1 83 GLY HA2 1 84 LYS HA 5.000 . 5.000 4.608 4.420 4.716 . 0 0 "[ . 1 . 2 . ]" 1
862 1 84 LYS HA 1 85 LYS HA 5.000 . 5.000 4.334 4.167 4.447 . 0 0 "[ . 1 . 2 . ]" 1
863 1 85 LYS QE 1 88 THR HB 5.000 . 5.000 3.352 2.259 4.711 . 0 0 "[ . 1 . 2 . ]" 1
864 1 87 GLU QG 1 105 TYR QB 5.000 . 5.000 3.464 2.404 4.212 . 0 0 "[ . 1 . 2 . ]" 1
865 1 86 CYS HB2 1 87 GLU QG 5.000 . 5.000 4.320 3.244 5.165 0.165 9 0 "[ . 1 . 2 . ]" 1
866 1 78 MET HG2 1 88 THR HA 5.000 . 5.000 3.449 2.231 4.429 . 0 0 "[ . 1 . 2 . ]" 1
867 1 78 MET HG3 1 88 THR HA 5.000 . 5.000 4.584 3.726 5.068 0.068 18 0 "[ . 1 . 2 . ]" 1
868 1 88 THR HA 1 89 ILE MD 6.000 . 6.000 4.698 3.321 5.029 . 0 0 "[ . 1 . 2 . ]" 1
869 1 89 ILE MG 1 101 THR HB 6.000 . 6.000 4.244 3.233 4.878 . 0 0 "[ . 1 . 2 . ]" 1
870 1 89 ILE MG 1 98 ILE HA 6.000 . 6.000 3.900 2.648 4.862 . 0 0 "[ . 1 . 2 . ]" 1
871 1 89 ILE HA 1 90 ILE HG13 5.000 . 5.000 3.711 3.270 5.014 0.014 19 0 "[ . 1 . 2 . ]" 1
872 1 91 GLY HA2 1 92 ALA HA 5.000 . 5.000 4.570 4.312 5.046 0.046 5 0 "[ . 1 . 2 . ]" 1
873 1 75 PRO HD3 1 92 ALA MB 6.000 . 6.000 4.185 3.013 5.168 . 0 0 "[ . 1 . 2 . ]" 1
874 1 93 VAL MG2 1 94 PRO HA 6.000 . 6.000 4.810 4.396 5.404 . 0 0 "[ . 1 . 2 . ]" 1
875 1 93 VAL HB 1 97 THR HB 5.000 . 5.000 2.820 2.376 3.527 . 0 0 "[ . 1 . 2 . ]" 1
876 1 93 VAL MG1 1 97 THR HB 6.000 . 6.000 3.466 2.106 4.336 . 0 0 "[ . 1 . 2 . ]" 1
877 1 93 VAL MG1 1 94 PRO HD2 6.000 . 6.000 3.263 2.132 3.965 . 0 0 "[ . 1 . 2 . ]" 1
878 1 93 VAL MG2 1 95 LYS HA 6.000 . 6.000 4.715 4.153 5.277 . 0 0 "[ . 1 . 2 . ]" 1
879 1 93 VAL HA 1 94 PRO HG3 5.000 . 5.000 4.261 4.021 4.667 . 0 0 "[ . 1 . 2 . ]" 1
880 1 94 PRO HA 1 95 LYS HB2 5.000 . 5.000 4.895 4.291 5.878 0.878 8 8 "[ * . + 1*-* . 2 * . **]" 1
881 1 94 PRO HD2 1 97 THR MG 6.000 . 6.000 3.448 3.150 3.777 . 0 0 "[ . 1 . 2 . ]" 1
882 1 94 PRO HD3 1 97 THR MG 6.000 . 6.000 4.659 4.023 4.926 . 0 0 "[ . 1 . 2 . ]" 1
883 1 97 THR MG 1 98 ILE HA 6.000 . 6.000 4.150 3.798 4.979 . 0 0 "[ . 1 . 2 . ]" 1
884 1 93 VAL HA 1 97 THR HB 5.000 . 5.000 4.770 4.424 5.082 0.082 22 0 "[ . 1 . 2 . ]" 1
885 1 93 VAL HA 1 97 THR MG 6.000 . 6.000 4.721 4.403 4.855 . 0 0 "[ . 1 . 2 . ]" 1
886 1 98 ILE MG 1 101 THR HB 6.000 . 6.000 3.953 3.364 4.461 . 0 0 "[ . 1 . 2 . ]" 1
887 1 96 ALA HA 1 99 VAL MG2 6.000 . 6.000 3.371 2.626 3.971 . 0 0 "[ . 1 . 2 . ]" 1
888 1 99 VAL MG1 1 100 GLN HG2 6.000 . 6.000 4.177 3.200 5.619 . 0 0 "[ . 1 . 2 . ]" 1
889 1 98 ILE HA 1 101 THR MG 6.000 . 6.000 4.022 3.750 4.556 . 0 0 "[ . 1 . 2 . ]" 1
890 1 101 THR HB 1 102 VAL QG 6.000 . 6.000 3.663 3.090 4.455 . 0 0 "[ . 1 . 2 . ]" 1
891 1 98 ILE HA 1 102 VAL QG 6.000 . 6.000 4.014 3.533 4.645 . 0 0 "[ . 1 . 2 . ]" 1
892 1 102 VAL QG 1 103 GLU HG2 6.000 . 6.000 3.797 2.626 5.218 . 0 0 "[ . 1 . 2 . ]" 1
893 1 23 LEU QB 1 102 VAL QG 6.000 . 6.000 3.547 2.758 4.291 . 0 0 "[ . 1 . 2 . ]" 1
894 1 104 LYS QD 1 105 TYR QB 6.000 . 6.000 4.682 3.526 5.027 . 0 0 "[ . 1 . 2 . ]" 1
895 1 104 LYS QG 1 105 TYR QB 6.000 . 6.000 4.341 3.650 5.107 . 0 0 "[ . 1 . 2 . ]" 1
896 1 102 VAL HA 1 105 TYR QD 7.000 . 7.000 2.643 2.229 3.568 . 0 0 "[ . 1 . 2 . ]" 1
897 1 104 LYS QE 1 105 TYR QD 7.000 . 7.000 4.618 2.595 5.439 . 0 0 "[ . 1 . 2 . ]" 1
898 1 104 LYS QE 1 105 TYR QE 7.000 . 7.000 3.998 2.500 4.848 . 0 0 "[ . 1 . 2 . ]" 1
899 1 105 TYR QD 1 106 LEU HB2 7.000 . 7.000 5.824 4.745 7.190 0.190 7 0 "[ . 1 . 2 . ]" 1
900 1 79 VAL HB 1 105 TYR QD 7.000 . 7.000 4.895 3.446 6.075 . 0 0 "[ . 1 . 2 . ]" 1
901 1 101 THR MG 1 105 TYR QD 8.000 . 8.000 3.415 2.389 3.974 . 0 0 "[ . 1 . 2 . ]" 1
902 1 101 THR MG 1 105 TYR QE 8.000 . 8.000 2.484 2.032 3.194 . 0 0 "[ . 1 . 2 . ]" 1
903 1 79 VAL MG1 1 105 TYR QD 8.000 . 8.000 4.033 2.346 5.379 . 0 0 "[ . 1 . 2 . ]" 1
904 1 87 GLU QG 1 105 TYR QE 7.000 . 7.000 2.974 2.261 3.720 . 0 0 "[ . 1 . 2 . ]" 1
905 1 104 LYS HB3 1 105 TYR QE 7.000 . 7.000 4.845 3.369 6.700 . 0 0 "[ . 1 . 2 . ]" 1
906 1 104 LYS QG 1 105 TYR QE 7.000 . 7.000 3.838 3.142 5.189 . 0 0 "[ . 1 . 2 . ]" 1
907 1 87 GLU HA 1 105 TYR QD 7.000 . 7.000 5.997 5.253 6.607 . 0 0 "[ . 1 . 2 . ]" 1
908 1 105 TYR QB 1 106 LEU HG 5.000 . 5.000 3.642 2.403 4.842 . 0 0 "[ . 1 . 2 . ]" 1
909 1 52 LEU QB 1 106 LEU QD 4.300 . 4.300 3.219 2.033 3.622 . 0 0 "[ . 1 . 2 . ]" 1
910 1 105 TYR QB 1 106 LEU QD 6.000 . 6.000 3.261 2.077 4.425 . 0 0 "[ . 1 . 2 . ]" 1
911 1 2 GLU QB 1 3 ALA H 6.000 . 6.000 2.456 2.057 3.045 . 0 0 "[ . 1 . 2 . ]" 1
912 1 3 ALA H 1 4 GLY H 5.000 . 5.000 4.492 3.793 4.641 . 0 0 "[ . 1 . 2 . ]" 1
913 1 3 ALA H 1 54 CYS HB3 5.000 . 5.000 4.518 3.476 5.094 0.094 21 0 "[ . 1 . 2 . ]" 1
914 1 4 GLY H 1 55 VAL MG2 6.000 . 6.000 3.895 3.026 4.606 . 0 0 "[ . 1 . 2 . ]" 1
915 1 6 VAL H 1 7 ASN H 5.000 . 5.000 4.438 4.359 4.602 . 0 0 "[ . 1 . 2 . ]" 1
916 1 6 VAL H 1 56 LYS QB 6.000 . 6.000 4.012 3.706 5.065 . 0 0 "[ . 1 . 2 . ]" 1
917 1 7 ASN HD21 1 62 SER QB 5.000 . 5.000 2.681 2.079 4.338 . 0 0 "[ . 1 . 2 . ]" 1
918 1 7 ASN H 1 11 PHE HA 5.000 . 5.000 4.330 4.115 4.776 . 0 0 "[ . 1 . 2 . ]" 1
919 1 7 ASN HD21 1 61 GLU QB 3.500 . 3.500 2.835 2.030 3.660 0.160 23 0 "[ . 1 . 2 . ]" 1
920 1 9 ASP H 1 9 ASP HB2 3.500 . 3.500 2.647 2.390 3.630 0.130 26 0 "[ . 1 . 2 . ]" 1
921 1 9 ASP H 1 9 ASP HB3 3.500 . 3.500 2.728 2.335 3.555 0.055 4 0 "[ . 1 . 2 . ]" 1
922 1 10 THR H 1 11 PHE HB2 5.000 . 5.000 4.813 4.334 5.134 0.134 27 0 "[ . 1 . 2 . ]" 1
923 1 10 THR H 1 11 PHE QD 7.000 . 7.000 6.319 5.976 6.516 . 0 0 "[ . 1 . 2 . ]" 1
924 1 11 PHE QD 1 16 LEU MD1 7.500 . 7.500 2.930 2.652 3.217 . 0 0 "[ . 1 . 2 . ]" 1
925 1 11 PHE HZ 1 15 VAL HB 5.000 . 5.000 4.450 3.884 4.800 . 0 0 "[ . 1 . 2 . ]" 1
926 1 12 LYS H 1 16 LEU HG 5.000 . 5.000 4.667 4.265 5.007 0.007 16 0 "[ . 1 . 2 . ]" 1
927 1 13 ASN H 1 13 ASN HB2 3.500 . 3.500 2.369 2.091 2.644 . 0 0 "[ . 1 . 2 . ]" 1
928 1 13 ASN HD22 1 17 GLU QB 5.000 . 5.000 4.646 3.352 5.428 0.428 14 0 "[ . 1 . 2 . ]" 1
929 1 13 ASN H 1 13 ASN HB3 3.500 . 3.500 3.355 2.641 3.581 0.081 23 0 "[ . 1 . 2 . ]" 1
930 1 12 LYS HB2 1 13 ASN HD21 5.000 . 5.000 4.272 3.331 5.928 0.928 7 4 "[ . + 1 - . 2** . ]" 1
931 1 13 ASN H 1 14 VAL MG2 6.000 . 6.000 3.928 3.612 5.715 . 0 0 "[ . 1 . 2 . ]" 1
932 1 11 PHE HA 1 13 ASN H 5.000 . 5.000 4.695 4.370 4.969 . 0 0 "[ . 1 . 2 . ]" 1
933 1 14 VAL H 1 15 VAL MG2 6.000 . 6.000 3.941 3.753 4.186 . 0 0 "[ . 1 . 2 . ]" 1
934 1 12 LYS HB2 1 14 VAL H 5.000 . 5.000 4.689 4.303 5.026 0.026 5 0 "[ . 1 . 2 . ]" 1
935 1 11 PHE HA 1 15 VAL H 5.000 . 5.000 3.222 2.940 3.725 . 0 0 "[ . 1 . 2 . ]" 1
936 1 14 VAL MG1 1 15 VAL H 6.000 . 6.000 3.543 1.872 3.892 . 0 0 "[ . 1 . 2 . ]" 1
937 1 16 LEU H 1 83 GLY HA2 6.000 . 6.000 5.435 4.876 6.164 0.164 18 0 "[ . 1 . 2 . ]" 1
938 1 16 LEU H 1 16 LEU HG 3.500 . 3.500 2.288 2.054 2.534 . 0 0 "[ . 1 . 2 . ]" 1
939 1 17 GLU H 1 17 GLU QB 3.500 . 3.500 2.393 2.106 2.605 . 0 0 "[ . 1 . 2 . ]" 1
940 1 16 LEU MD2 1 17 GLU H 6.000 . 6.000 4.593 4.486 4.680 . 0 0 "[ . 1 . 2 . ]" 1
941 1 18 SER H 1 18 SER QB . . 3.500 2.510 2.167 2.772 . 0 0 "[ . 1 . 2 . ]" 1
942 1 22 VAL H 1 80 PHE HB2 5.000 . 5.000 3.507 2.654 4.095 . 0 0 "[ . 1 . 2 . ]" 1
943 1 22 VAL H 1 53 LYS QB 5.000 . 5.000 4.380 3.260 4.801 . 0 0 "[ . 1 . 2 . ]" 1
944 1 22 VAL H 1 79 VAL MG1 6.000 . 6.000 3.463 2.622 4.181 . 0 0 "[ . 1 . 2 . ]" 1
945 1 22 VAL H 1 79 VAL HA 5.000 . 5.000 4.393 4.018 4.631 . 0 0 "[ . 1 . 2 . ]" 1
946 1 23 LEU H 1 23 LEU QB 3.500 . 3.500 2.395 2.183 2.696 . 0 0 "[ . 1 . 2 . ]" 1
947 1 23 LEU H 1 23 LEU HG 5.000 . 5.000 4.571 4.296 4.727 . 0 0 "[ . 1 . 2 . ]" 1
948 1 22 VAL HB 1 23 LEU H 5.000 . 5.000 4.024 3.406 4.512 . 0 0 "[ . 1 . 2 . ]" 1
949 1 23 LEU H 1 55 VAL MG2 6.000 . 6.000 3.412 2.876 4.555 . 0 0 "[ . 1 . 2 . ]" 1
950 1 23 LEU H 1 54 CYS HB2 5.000 . 5.000 4.576 3.784 5.111 0.111 18 0 "[ . 1 . 2 . ]" 1
951 1 23 LEU H 1 53 LYS QB 5.000 . 5.000 3.333 1.928 4.012 . 0 0 "[ . 1 . 2 . ]" 1
952 1 25 ASP H 1 55 VAL HB 5.000 . 5.000 4.311 3.965 5.143 0.143 26 0 "[ . 1 . 2 . ]" 1
953 1 25 ASP H 1 56 LYS QB 5.000 . 5.000 4.411 3.259 4.624 . 0 0 "[ . 1 . 2 . ]" 1
954 1 26 PHE H 1 77 ILE H 5.000 . 5.000 4.708 4.546 4.913 . 0 0 "[ . 1 . 2 . ]" 1
955 1 26 PHE H 1 26 PHE QE 7.000 . 7.000 4.609 4.443 4.815 . 0 0 "[ . 1 . 2 . ]" 1
956 1 26 PHE QD 1 59 THR MG 6.500 . 6.500 3.062 2.536 3.763 . 0 0 "[ . 1 . 2 . ]" 1
957 1 26 PHE QD 1 77 ILE HA 7.000 . 7.000 3.728 3.013 4.514 . 0 0 "[ . 1 . 2 . ]" 1
958 1 26 PHE QE 1 77 ILE HA 7.000 . 7.000 5.202 4.458 5.477 . 0 0 "[ . 1 . 2 . ]" 1
959 1 26 PHE QE 1 65 VAL HB 7.000 . 7.000 3.385 2.727 4.375 . 0 0 "[ . 1 . 2 . ]" 1
960 1 26 PHE QE 1 71 ILE QG 7.000 . 7.000 3.808 2.492 4.611 . 0 0 "[ . 1 . 2 . ]" 1
961 1 26 PHE HZ 1 78 MET HG3 5.000 . 5.000 4.442 3.829 5.011 0.011 15 0 "[ . 1 . 2 . ]" 1
962 1 27 TRP H 1 27 TRP HE1 5.000 . 5.000 4.254 4.156 4.417 . 0 0 "[ . 1 . 2 . ]" 1
963 1 27 TRP HA 1 27 TRP HE3 5.000 . 5.000 4.523 4.387 4.712 . 0 0 "[ . 1 . 2 . ]" 1
964 1 27 TRP HE3 1 28 ALA H 5.000 . 5.000 2.442 2.309 2.652 . 0 0 "[ . 1 . 2 . ]" 1
965 1 27 TRP HE1 1 56 LYS QG 6.000 . 6.000 4.278 2.443 5.029 . 0 0 "[ . 1 . 2 . ]" 1
966 1 27 TRP H 1 27 TRP HD1 3.500 . 3.500 2.233 2.149 2.369 . 0 0 "[ . 1 . 2 . ]" 1
967 1 27 TRP HE1 1 56 LYS HA 5.000 . 5.000 4.486 4.106 5.013 0.013 22 0 "[ . 1 . 2 . ]" 1
968 1 27 TRP HE1 1 58 ASN QB 5.000 . 5.000 2.812 2.589 3.096 . 0 0 "[ . 1 . 2 . ]" 1
969 1 27 TRP HE1 1 56 LYS QB 4.500 . 4.500 2.803 2.467 3.748 . 0 0 "[ . 1 . 2 . ]" 1
970 1 27 TRP H 1 59 THR MG 6.000 . 6.000 4.985 4.792 5.070 . 0 0 "[ . 1 . 2 . ]" 1
971 1 27 TRP HE1 1 58 ASN HA 5.000 . 5.000 3.058 2.830 3.243 . 0 0 "[ . 1 . 2 . ]" 1
972 1 27 TRP HE1 1 56 LYS QD 6.000 . 6.000 4.491 3.681 5.399 . 0 0 "[ . 1 . 2 . ]" 1
973 1 27 TRP H 1 57 LEU HB3 5.000 . 5.000 3.932 3.588 5.047 0.047 25 0 "[ . 1 . 2 . ]" 1
974 1 27 TRP HZ2 1 58 ASN HD22 5.000 . 5.000 4.018 3.626 4.376 . 0 0 "[ . 1 . 2 . ]" 1
975 1 27 TRP HZ2 1 58 ASN HD21 5.000 . 5.000 2.314 2.105 2.636 . 0 0 "[ . 1 . 2 . ]" 1
976 1 28 ALA H 1 31 CYS HB2 5.000 . 5.000 3.397 2.562 3.891 . 0 0 "[ . 1 . 2 . ]" 1
977 1 30 TRP HZ2 1 74 ILE HG12 5.000 . 5.000 4.273 3.599 4.833 . 0 0 "[ . 1 . 2 . ]" 1
978 1 30 TRP H 1 30 TRP HE3 5.000 . 5.000 4.689 4.390 5.024 0.024 25 0 "[ . 1 . 2 . ]" 1
979 1 30 TRP HA 1 30 TRP HE3 5.000 . 5.000 4.365 4.221 4.432 . 0 0 "[ . 1 . 2 . ]" 1
980 1 29 PRO QD 1 30 TRP HD1 5.000 . 5.000 3.916 3.231 4.376 . 0 0 "[ . 1 . 2 . ]" 1
981 1 30 TRP HZ2 1 59 THR MG 6.000 . 6.000 3.923 3.418 4.377 . 0 0 "[ . 1 . 2 . ]" 1
982 1 30 TRP HE3 1 31 CYS H 5.000 . 5.000 3.743 3.538 3.940 . 0 0 "[ . 1 . 2 . ]" 1
983 1 30 TRP HZ2 1 59 THR HB 5.000 . 5.000 3.955 3.226 4.646 . 0 0 "[ . 1 . 2 . ]" 1
984 1 30 TRP HH2 1 74 ILE HB 5.000 . 5.000 5.085 5.045 5.134 0.134 17 0 "[ . 1 . 2 . ]" 1
985 1 29 PRO HB2 1 31 CYS H 5.000 . 5.000 4.986 4.445 5.166 0.166 7 0 "[ . 1 . 2 . ]" 1
986 1 29 PRO QD 1 31 CYS H 5.000 . 5.000 4.388 4.007 4.721 . 0 0 "[ . 1 . 2 . ]" 1
987 1 30 TRP HB3 1 31 CYS H 5.000 . 5.000 4.428 4.125 4.556 . 0 0 "[ . 1 . 2 . ]" 1
988 1 34 CYS H 1 34 CYS HB2 3.500 . 3.500 2.708 2.632 2.837 . 0 0 "[ . 1 . 2 . ]" 1
989 1 33 PRO HD3 1 34 CYS H 5.000 . 5.000 4.105 3.900 4.294 . 0 0 "[ . 1 . 2 . ]" 1
990 1 35 ARG H 1 35 ARG HB2 3.500 . 3.500 2.314 2.119 2.592 . 0 0 "[ . 1 . 2 . ]" 1
991 1 35 ARG H 1 35 ARG HB3 3.500 . 3.500 3.092 2.531 3.587 0.087 9 0 "[ . 1 . 2 . ]" 1
992 1 33 PRO HA 1 35 ARG H 5.000 . 5.000 4.615 4.234 4.923 . 0 0 "[ . 1 . 2 . ]" 1
993 1 36 ILE H 1 36 ILE QG . . 3.500 2.072 1.896 2.219 . 0 0 "[ . 1 . 2 . ]" 1
994 1 37 ILE H 1 37 ILE HG13 5.000 . 5.000 3.353 2.366 4.555 . 0 0 "[ . 1 . 2 . ]" 1
995 1 37 ILE H 1 38 ALA MB 6.000 . 6.000 4.120 3.779 4.374 . 0 0 "[ . 1 . 2 . ]" 1
996 1 37 ILE H 1 37 ILE MD 4.500 . 4.500 3.678 2.583 3.863 . 0 0 "[ . 1 . 2 . ]" 1
997 1 36 ILE MD 1 37 ILE H 4.500 . 4.500 3.218 2.601 3.901 . 0 0 "[ . 1 . 2 . ]" 1
998 1 37 ILE H 1 37 ILE HG12 5.000 . 5.000 2.823 2.109 4.658 . 0 0 "[ . 1 . 2 . ]" 1
999 1 34 CYS HB3 1 38 ALA H 5.000 . 5.000 4.760 4.439 5.013 0.013 15 0 "[ . 1 . 2 . ]" 1
1000 1 38 ALA H 1 41 VAL QG 4.500 . 4.500 3.592 3.497 3.733 . 0 0 "[ . 1 . 2 . ]" 1
1001 1 38 ALA H 1 41 VAL HB 5.000 . 5.000 4.849 3.806 5.082 0.082 11 0 "[ . 1 . 2 . ]" 1
1002 1 38 ALA H 1 39 PRO QG 6.000 . 6.000 4.758 4.554 4.960 . 0 0 "[ . 1 . 2 . ]" 1
1003 1 40 VAL H 1 40 VAL HB 3.500 . 3.500 2.555 1.968 3.579 0.079 8 0 "[ . 1 . 2 . ]" 1
1004 1 40 VAL H 1 40 VAL MG2 4.500 . 4.500 2.337 1.964 3.483 . 0 0 "[ . 1 . 2 . ]" 1
1005 1 41 VAL H 1 41 VAL HB 3.500 . 3.500 2.564 2.049 2.760 . 0 0 "[ . 1 . 2 . ]" 1
1006 1 39 PRO HA 1 41 VAL H 5.000 . 5.000 4.567 4.379 5.004 0.004 17 0 "[ . 1 . 2 . ]" 1
1007 1 37 ILE HA 1 41 VAL H 5.000 . 5.000 4.221 3.874 4.509 . 0 0 "[ . 1 . 2 . ]" 1
1008 1 38 ALA MB 1 41 VAL H 6.000 . 6.000 4.510 4.384 4.941 . 0 0 "[ . 1 . 2 . ]" 1
1009 1 40 VAL HA 1 42 ASP H 5.000 . 5.000 4.397 4.092 4.768 . 0 0 "[ . 1 . 2 . ]" 1
1010 1 43 GLU H 1 43 GLU HB3 3.500 . 3.500 2.361 2.221 2.634 . 0 0 "[ . 1 . 2 . ]" 1
1011 1 43 GLU H 1 43 GLU HG3 5.000 . 5.000 3.905 2.430 4.535 . 0 0 "[ . 1 . 2 . ]" 1
1012 1 43 GLU H 1 43 GLU HB2 3.500 . 3.500 3.488 2.476 3.612 0.112 20 0 "[ . 1 . 2 . ]" 1
1013 1 44 ILE H 1 44 ILE HB 3.500 . 3.500 2.362 2.171 3.259 . 0 0 "[ . 1 . 2 . ]" 1
1014 1 44 ILE H 1 44 ILE QG 3.500 . 3.500 2.378 1.971 2.765 . 0 0 "[ . 1 . 2 . ]" 1
1015 1 42 ASP QB 1 44 ILE H 5.000 . 5.000 4.643 4.338 4.749 . 0 0 "[ . 1 . 2 . ]" 1
1016 1 42 ASP H 1 44 ILE H 5.000 . 5.000 4.268 3.950 4.497 . 0 0 "[ . 1 . 2 . ]" 1
1017 1 40 VAL MG1 1 44 ILE H 6.000 . 6.000 4.058 3.144 4.733 . 0 0 "[ . 1 . 2 . ]" 1
1018 1 41 VAL HA 1 45 ALA H 5.000 . 5.000 4.329 3.806 5.026 0.026 13 0 "[ . 1 . 2 . ]" 1
1019 1 43 GLU HB2 1 46 GLY H 5.000 . 5.000 4.976 4.445 5.597 0.597 10 1 "[ . + . 2 . ]" 1
1020 1 46 GLY H 1 47 GLU QG 5.000 . 5.000 4.352 3.771 4.785 . 0 0 "[ . 1 . 2 . ]" 1
1021 1 2 GLU QB 1 46 GLY H 6.000 . 6.000 3.844 2.554 5.440 . 0 0 "[ . 1 . 2 . ]" 1
1022 1 45 ALA HA 1 47 GLU H 5.000 . 5.000 4.564 4.056 4.994 . 0 0 "[ . 1 . 2 . ]" 1
1023 1 47 GLU H 1 47 GLU QG 3.500 . 3.500 2.190 2.060 2.295 . 0 0 "[ . 1 . 2 . ]" 1
1024 1 43 GLU HB2 1 47 GLU H 5.000 . 5.000 4.968 3.924 5.975 0.975 10 2 "[ . + . 2 . - ]" 1
1025 1 47 GLU H 1 47 GLU HB2 3.500 . 3.500 2.508 2.358 2.720 . 0 0 "[ . 1 . 2 . ]" 1
1026 1 45 ALA HA 1 48 TYR QD 7.000 . 7.000 4.286 2.327 5.423 . 0 0 "[ . 1 . 2 . ]" 1
1027 1 48 TYR QE 1 99 VAL HB 7.000 . 7.000 5.402 4.658 6.234 . 0 0 "[ . 1 . 2 . ]" 1
1028 1 44 ILE QG 1 48 TYR QD 7.000 . 7.000 4.606 3.631 5.753 . 0 0 "[ . 1 . 2 . ]" 1
1029 1 48 TYR QD 1 52 LEU MD1 8.000 . 8.000 4.927 3.408 5.739 . 0 0 "[ . 1 . 2 . ]" 1
1030 1 48 TYR HA 1 51 LYS H 5.000 . 5.000 4.428 3.652 5.083 0.083 13 0 "[ . 1 . 2 . ]" 1
1031 1 51 LYS H 1 51 LYS QB 3.500 . 3.500 2.618 2.365 3.181 . 0 0 "[ . 1 . 2 . ]" 1
1032 1 51 LYS H 1 51 LYS QD 6.000 . 6.000 3.957 2.012 5.194 . 0 0 "[ . 1 . 2 . ]" 1
1033 1 51 LYS QD 1 52 LEU H 6.000 . 6.000 4.845 3.584 5.422 . 0 0 "[ . 1 . 2 . ]" 1
1034 1 48 TYR HB2 1 52 LEU H 5.000 . 5.000 4.148 2.432 5.015 0.015 25 0 "[ . 1 . 2 . ]" 1
1035 1 50 ASP QB 1 52 LEU H 5.000 . 5.000 4.506 3.865 4.896 . 0 0 "[ . 1 . 2 . ]" 1
1036 1 52 LEU H 1 52 LEU HG 5.000 . 5.000 4.542 3.751 5.022 0.022 18 0 "[ . 1 . 2 . ]" 1
1037 1 20 VAL MG2 1 52 LEU H 6.000 . 6.000 4.738 3.867 5.776 . 0 0 "[ . 1 . 2 . ]" 1
1038 1 21 PRO HB2 1 53 LYS H 5.000 . 5.000 4.044 3.360 5.039 0.039 19 0 "[ . 1 . 2 . ]" 1
1039 1 22 VAL MG2 1 53 LYS H 4.500 . 4.500 3.668 3.175 5.475 0.975 19 3 "[ . 1 . *+2 . - ]" 1
1040 1 52 LEU MD1 1 53 LYS H 6.000 . 6.000 2.984 1.814 4.058 . 0 0 "[ . 1 . 2 . ]" 1
1041 1 23 LEU QB 1 55 VAL H 5.000 . 5.000 3.614 3.319 4.748 . 0 0 "[ . 1 . 2 . ]" 1
1042 1 41 VAL QG 1 55 VAL H 4.500 . 4.500 3.798 3.432 3.896 . 0 0 "[ . 1 . 2 . ]" 1
1043 1 6 VAL MG1 1 56 LYS H 6.000 . 6.000 4.013 2.864 4.538 . 0 0 "[ . 1 . 2 . ]" 1
1044 1 56 LYS H 1 56 LYS QD 6.000 . 6.000 4.706 3.741 5.143 . 0 0 "[ . 1 . 2 . ]" 1
1045 1 27 TRP HE1 1 57 LEU H 5.000 . 5.000 4.045 3.743 4.275 . 0 0 "[ . 1 . 2 . ]" 1
1046 1 56 LYS QD 1 57 LEU H 6.000 . 6.000 5.339 4.533 5.489 . 0 0 "[ . 1 . 2 . ]" 1
1047 1 27 TRP HE1 1 58 ASN H 5.000 . 5.000 3.010 2.744 3.347 . 0 0 "[ . 1 . 2 . ]" 1
1048 1 27 TRP HE1 1 58 ASN HD21 5.000 . 5.000 4.180 3.426 4.503 . 0 0 "[ . 1 . 2 . ]" 1
1049 1 57 LEU MD2 1 58 ASN H 6.000 . 6.000 3.761 2.433 4.915 . 0 0 "[ . 1 . 2 . ]" 1
1050 1 58 ASN H 1 58 ASN QB . . 3.500 2.307 2.028 2.385 . 0 0 "[ . 1 . 2 . ]" 1
1051 1 57 LEU MD1 1 58 ASN H 6.000 . 6.000 3.394 2.265 4.633 . 0 0 "[ . 1 . 2 . ]" 1
1052 1 58 ASN H 1 58 ASN HD21 5.000 . 5.000 4.829 4.085 4.999 . 0 0 "[ . 1 . 2 . ]" 1
1053 1 29 PRO QD 1 58 ASN HD21 5.000 . 5.000 2.807 2.423 3.418 . 0 0 "[ . 1 . 2 . ]" 1
1054 1 27 TRP HZ2 1 58 ASN H 5.000 . 5.000 4.686 4.384 5.006 0.006 25 0 "[ . 1 . 2 . ]" 1
1055 1 27 TRP HD1 1 58 ASN H 5.000 . 5.000 4.282 3.962 4.496 . 0 0 "[ . 1 . 2 . ]" 1
1056 1 58 ASN H 1 59 THR H 5.000 . 5.000 4.352 4.246 4.414 . 0 0 "[ . 1 . 2 . ]" 1
1057 1 26 PHE QD 1 59 THR H 7.000 . 7.000 5.215 4.734 5.621 . 0 0 "[ . 1 . 2 . ]" 1
1058 1 58 ASN HD21 1 59 THR H 5.000 . 5.000 5.019 4.496 5.078 0.078 3 0 "[ . 1 . 2 . ]" 1
1059 1 59 THR H 1 59 THR HB 3.500 . 3.500 2.507 2.357 2.668 . 0 0 "[ . 1 . 2 . ]" 1
1060 1 58 ASN QB 1 59 THR H 5.000 . 5.000 3.889 3.845 3.989 . 0 0 "[ . 1 . 2 . ]" 1
1061 1 59 THR H 1 60 ASP HB2 5.000 . 5.000 4.583 4.274 5.072 0.072 19 0 "[ . 1 . 2 . ]" 1
1062 1 59 THR H 1 59 THR MG 4.500 . 4.500 3.718 3.658 3.755 . 0 0 "[ . 1 . 2 . ]" 1
1063 1 28 ALA MB 1 59 THR H 6.000 . 6.000 3.158 2.793 3.437 . 0 0 "[ . 1 . 2 . ]" 1
1064 1 28 ALA MB 1 60 ASP H 6.000 . 6.000 3.317 2.746 4.696 . 0 0 "[ . 1 . 2 . ]" 1
1065 1 60 ASP H 1 63 PRO HD3 5.000 . 5.000 4.716 3.319 5.099 0.099 6 0 "[ . 1 . 2 . ]" 1
1066 1 58 ASN HA 1 62 SER H 5.000 . 5.000 5.052 4.934 5.132 0.132 19 0 "[ . 1 . 2 . ]" 1
1067 1 64 ASN H 1 64 ASN HD21 5.000 . 5.000 4.060 2.229 4.633 . 0 0 "[ . 1 . 2 . ]" 1
1068 1 64 ASN H 1 64 ASN HD22 5.000 . 5.000 4.257 2.989 4.819 . 0 0 "[ . 1 . 2 . ]" 1
1069 1 8 ASP HB2 1 64 ASN HD22 5.000 . 5.000 4.625 2.369 5.754 0.754 26 1 "[ . 1 . 2 .+ ]" 1
1070 1 65 VAL H 1 65 VAL HB 3.500 . 3.500 2.482 2.246 3.475 . 0 0 "[ . 1 . 2 . ]" 1
1071 1 64 ASN HB2 1 66 ALA H 5.000 . 5.000 4.623 4.315 5.052 0.052 10 0 "[ . 1 . 2 . ]" 1
1072 1 67 SER H 1 68 GLU QG 6.000 . 6.000 4.352 4.164 4.602 . 0 0 "[ . 1 . 2 . ]" 1
1073 1 68 GLU H 1 69 TYR QD 7.000 . 7.000 4.830 4.376 5.430 . 0 0 "[ . 1 . 2 . ]" 1
1074 1 64 ASN HA 1 68 GLU H 5.000 . 5.000 4.181 4.024 4.375 . 0 0 "[ . 1 . 2 . ]" 1
1075 1 65 VAL HA 1 68 GLU H 5.000 . 5.000 3.428 3.065 3.835 . 0 0 "[ . 1 . 2 . ]" 1
1076 1 68 GLU H 1 70 GLY H 5.000 . 5.000 4.016 3.854 4.146 . 0 0 "[ . 1 . 2 . ]" 1
1077 1 68 GLU HB3 1 69 TYR QD 7.000 . 7.000 4.349 3.363 5.060 . 0 0 "[ . 1 . 2 . ]" 1
1078 1 69 TYR QD 1 85 LYS QG 8.000 . 8.000 4.637 2.686 5.905 . 0 0 "[ . 1 . 2 . ]" 1
1079 1 65 VAL MG1 1 69 TYR QD 8.000 . 8.000 2.378 2.118 3.840 . 0 0 "[ . 1 . 2 . ]" 1
1080 1 65 VAL HA 1 69 TYR QD 7.000 . 7.000 3.636 3.063 4.368 . 0 0 "[ . 1 . 2 . ]" 1
1081 1 68 GLU QG 1 69 TYR H 5.000 . 5.000 4.188 4.122 4.245 . 0 0 "[ . 1 . 2 . ]" 1
1082 1 69 TYR QD 1 78 MET HB3 7.000 . 7.000 5.786 4.987 6.287 . 0 0 "[ . 1 . 2 . ]" 1
1083 1 66 ALA HA 1 70 GLY H 5.000 . 5.000 3.941 3.798 4.143 . 0 0 "[ . 1 . 2 . ]" 1
1084 1 67 SER HA 1 70 GLY H 5.000 . 5.000 3.227 2.920 3.496 . 0 0 "[ . 1 . 2 . ]" 1
1085 1 71 ILE H 1 71 ILE HB 3.500 . 3.500 2.719 2.301 3.682 0.182 11 0 "[ . 1 . 2 . ]" 1
1086 1 71 ILE H 1 71 ILE QG 3.500 . 3.500 2.197 1.951 2.675 . 0 0 "[ . 1 . 2 . ]" 1
1087 1 67 SER HA 1 71 ILE H 5.000 . 5.000 3.693 3.389 4.403 . 0 0 "[ . 1 . 2 . ]" 1
1088 1 66 ALA HA 1 71 ILE H 5.000 . 5.000 3.576 3.294 3.800 . 0 0 "[ . 1 . 2 . ]" 1
1089 1 74 ILE H 1 75 PRO HD2 5.000 . 5.000 4.777 4.527 5.009 0.009 26 0 "[ . 1 . 2 . ]" 1
1090 1 26 PHE QD 1 76 THR H 7.000 . 7.000 4.521 4.307 4.805 . 0 0 "[ . 1 . 2 . ]" 1
1091 1 74 ILE HB 1 76 THR H 5.000 . 5.000 3.693 3.381 4.140 . 0 0 "[ . 1 . 2 . ]" 1
1092 1 26 PHE HB2 1 76 THR H 5.000 . 5.000 3.019 2.730 3.372 . 0 0 "[ . 1 . 2 . ]" 1
1093 1 77 ILE H 1 89 ILE HB 5.000 . 5.000 3.689 2.806 5.128 0.128 18 0 "[ . 1 . 2 . ]" 1
1094 1 78 MET H 1 78 MET HG3 5.000 . 5.000 3.078 2.642 4.291 . 0 0 "[ . 1 . 2 . ]" 1
1095 1 24 VAL MG1 1 78 MET H 6.000 . 6.000 3.794 2.534 4.735 . 0 0 "[ . 1 . 2 . ]" 1
1096 1 26 PHE QE 1 78 MET H 7.000 . 7.000 3.823 2.554 4.553 . 0 0 "[ . 1 . 2 . ]" 1
1097 1 79 VAL H 1 85 LYS QG 6.000 . 6.000 4.023 3.023 5.450 . 0 0 "[ . 1 . 2 . ]" 1
1098 1 22 VAL HB 1 80 PHE H 5.000 . 5.000 3.557 2.701 4.748 . 0 0 "[ . 1 . 2 . ]" 1
1099 1 78 MET HB3 1 80 PHE HZ 5.000 . 5.000 3.785 2.907 4.644 . 0 0 "[ . 1 . 2 . ]" 1
1100 1 79 VAL HA 1 80 PHE H 3.500 . 3.500 2.189 2.037 2.274 . 0 0 "[ . 1 . 2 . ]" 1
1101 1 24 VAL MG1 1 80 PHE QD 8.000 . 8.000 3.547 2.146 5.238 . 0 0 "[ . 1 . 2 . ]" 1
1102 1 81 LYS H 1 85 LYS HA 5.000 . 5.000 3.694 2.424 4.172 . 0 0 "[ . 1 . 2 . ]" 1
1103 1 81 LYS H 1 86 CYS HB2 5.000 . 5.000 4.230 2.982 5.094 0.094 27 0 "[ . 1 . 2 . ]" 1
1104 1 21 PRO HA 1 82 GLY H 5.000 . 5.000 4.260 3.159 5.064 0.064 22 0 "[ . 1 . 2 . ]" 1
1105 1 81 LYS H 1 82 GLY H 5.000 . 5.000 3.378 2.038 4.290 . 0 0 "[ . 1 . 2 . ]" 1
1106 1 83 GLY H 1 84 LYS H 5.000 . 5.000 3.448 2.832 3.890 . 0 0 "[ . 1 . 2 . ]" 1
1107 1 84 LYS H 1 84 LYS QD 6.000 . 6.000 3.952 3.117 5.082 . 0 0 "[ . 1 . 2 . ]" 1
1108 1 80 PHE QE 1 85 LYS H 7.000 . 7.000 4.030 3.322 4.948 . 0 0 "[ . 1 . 2 . ]" 1
1109 1 85 LYS QE 1 86 CYS H 5.000 . 5.000 4.005 2.862 4.901 . 0 0 "[ . 1 . 2 . ]" 1
1110 1 81 LYS H 1 86 CYS H 5.000 . 5.000 4.535 3.346 5.009 0.009 5 0 "[ . 1 . 2 . ]" 1
1111 1 81 LYS QD 1 86 CYS H 6.000 . 6.000 3.903 3.144 5.512 . 0 0 "[ . 1 . 2 . ]" 1
1112 1 80 PHE HA 1 86 CYS H 3.500 . 3.500 2.999 2.471 3.510 0.010 13 0 "[ . 1 . 2 . ]" 1
1113 1 85 LYS HA 1 87 GLU H 5.000 . 5.000 4.485 4.080 5.001 0.001 15 0 "[ . 1 . 2 . ]" 1
1114 1 87 GLU H 1 87 GLU QG 3.500 . 3.500 2.910 1.978 3.464 . 0 0 "[ . 1 . 2 . ]" 1
1115 1 79 VAL HB 1 87 GLU H 5.000 . 5.000 2.250 1.999 3.734 . 0 0 "[ . 1 . 2 . ]" 1
1116 1 87 GLU H 1 88 THR H 5.000 . 5.000 4.450 4.300 4.618 . 0 0 "[ . 1 . 2 . ]" 1
1117 1 88 THR H 1 89 ILE H 5.000 . 5.000 4.122 3.285 4.460 . 0 0 "[ . 1 . 2 . ]" 1
1118 1 89 ILE H 1 89 ILE QG . . 3.500 2.726 1.990 3.399 . 0 0 "[ . 1 . 2 . ]" 1
1119 1 89 ILE H 1 90 ILE H 5.000 . 5.000 4.339 4.011 4.588 . 0 0 "[ . 1 . 2 . ]" 1
1120 1 90 ILE H 1 90 ILE HB 3.500 . 3.500 2.609 2.367 2.903 . 0 0 "[ . 1 . 2 . ]" 1
1121 1 33 PRO QG 1 92 ALA H 5.000 . 5.000 4.612 4.249 4.847 . 0 0 "[ . 1 . 2 . ]" 1
1122 1 75 PRO HG3 1 92 ALA H 5.000 . 5.000 3.544 2.132 5.002 0.002 15 0 "[ . 1 . 2 . ]" 1
1123 1 93 VAL H 1 93 VAL MG1 4.500 . 4.500 2.996 2.213 4.007 . 0 0 "[ . 1 . 2 . ]" 1
1124 1 95 LYS H 1 95 LYS HB2 3.500 . 3.500 2.736 2.240 3.634 0.134 8 0 "[ . 1 . 2 . ]" 1
1125 1 95 LYS H 1 95 LYS HG2 5.000 . 5.000 3.677 1.985 4.657 . 0 0 "[ . 1 . 2 . ]" 1
1126 1 95 LYS H 1 98 ILE HB 5.000 . 5.000 5.068 5.014 5.128 0.128 12 0 "[ . 1 . 2 . ]" 1
1127 1 40 VAL MG1 1 95 LYS H 6.000 . 6.000 3.556 2.837 4.791 . 0 0 "[ . 1 . 2 . ]" 1
1128 1 95 LYS H 1 96 ALA H 3.500 . 3.500 2.863 2.619 3.091 . 0 0 "[ . 1 . 2 . ]" 1
1129 1 94 PRO HB2 1 96 ALA H 3.500 . 3.500 3.044 2.690 3.307 . 0 0 "[ . 1 . 2 . ]" 1
1130 1 95 LYS HG2 1 96 ALA H 5.000 . 5.000 3.790 2.322 5.104 0.104 22 0 "[ . 1 . 2 . ]" 1
1131 1 40 VAL MG1 1 96 ALA H 6.000 . 6.000 4.884 3.996 5.680 . 0 0 "[ . 1 . 2 . ]" 1
1132 1 94 PRO HA 1 96 ALA H 5.000 . 5.000 4.288 3.894 4.587 . 0 0 "[ . 1 . 2 . ]" 1
1133 1 95 LYS HA 1 97 THR H 5.000 . 5.000 4.240 3.736 4.677 . 0 0 "[ . 1 . 2 . ]" 1
1134 1 93 VAL HB 1 97 THR H 5.000 . 5.000 4.764 4.029 5.032 0.032 9 0 "[ . 1 . 2 . ]" 1
1135 1 98 ILE H 1 98 ILE MG 4.500 . 4.500 3.765 3.649 3.822 . 0 0 "[ . 1 . 2 . ]" 1
1136 1 99 VAL H 1 99 VAL HB 3.500 . 3.500 2.375 2.216 2.606 . 0 0 "[ . 1 . 2 . ]" 1
1137 1 99 VAL H 1 99 VAL MG2 4.500 . 4.500 2.222 2.098 2.384 . 0 0 "[ . 1 . 2 . ]" 1
1138 1 96 ALA MB 1 99 VAL H 6.000 . 6.000 4.814 4.557 5.024 . 0 0 "[ . 1 . 2 . ]" 1
1139 1 44 ILE MD 1 99 VAL H 6.000 . 6.000 3.905 2.772 4.886 . 0 0 "[ . 1 . 2 . ]" 1
1140 1 96 ALA HA 1 100 GLN H 5.000 . 5.000 3.983 3.756 4.477 . 0 0 "[ . 1 . 2 . ]" 1
1141 1 100 GLN H 1 100 GLN HG2 5.000 . 5.000 3.461 2.196 4.252 . 0 0 "[ . 1 . 2 . ]" 1
1142 1 100 GLN HB3 1 100 GLN HE22 5.000 . 5.000 4.267 3.532 5.081 0.081 5 0 "[ . 1 . 2 . ]" 1
1143 1 99 VAL HB 1 101 THR H 5.000 . 5.000 4.984 4.891 5.033 0.033 20 0 "[ . 1 . 2 . ]" 1
1144 1 101 THR H 1 102 VAL HB 5.000 . 5.000 4.944 4.693 5.080 0.080 7 0 "[ . 1 . 2 . ]" 1
1145 1 101 THR H 1 102 VAL QG 6.000 . 6.000 4.412 4.150 4.577 . 0 0 "[ . 1 . 2 . ]" 1
1146 1 100 GLN HE21 1 101 THR H 5.000 . 5.000 4.662 3.508 5.141 0.141 27 0 "[ . 1 . 2 . ]" 1
1147 1 102 VAL H 1 102 VAL HB 3.500 . 3.500 2.349 2.187 2.554 . 0 0 "[ . 1 . 2 . ]" 1
1148 1 103 GLU H 1 103 GLU HB3 3.500 . 3.500 3.532 2.679 3.584 0.084 11 0 "[ . 1 . 2 . ]" 1
1149 1 99 VAL HA 1 103 GLU H 5.000 . 5.000 3.858 3.563 4.024 . 0 0 "[ . 1 . 2 . ]" 1
1150 1 103 GLU H 1 103 GLU HG2 5.000 . 5.000 3.101 2.205 4.584 . 0 0 "[ . 1 . 2 . ]" 1
1151 1 103 GLU H 1 103 GLU HG3 5.000 . 5.000 2.829 2.150 4.366 . 0 0 "[ . 1 . 2 . ]" 1
1152 1 103 GLU H 1 103 GLU HB2 3.500 . 3.500 2.407 2.328 2.619 . 0 0 "[ . 1 . 2 . ]" 1
1153 1 100 GLN HA 1 104 LYS H 5.000 . 5.000 4.009 3.729 4.836 . 0 0 "[ . 1 . 2 . ]" 1
1154 1 103 GLU HA 1 104 LYS H 3.500 . 3.500 3.558 3.520 3.587 0.087 26 0 "[ . 1 . 2 . ]" 1
1155 1 79 VAL MG2 1 105 TYR QD 8.000 . 8.000 3.487 2.168 5.299 . 0 0 "[ . 1 . 2 . ]" 1
1156 1 102 VAL HA 1 105 TYR QE 7.000 . 7.000 4.266 3.428 5.529 . 0 0 "[ . 1 . 2 . ]" 1
1157 1 89 ILE MD 1 105 TYR QE 8.000 . 8.000 3.832 2.490 5.151 . 0 0 "[ . 1 . 2 . ]" 1
1158 1 102 VAL QG 1 105 TYR QD 8.000 . 8.000 3.548 2.825 4.551 . 0 0 "[ . 1 . 2 . ]" 1
1159 1 79 VAL MG2 1 105 TYR QE 8.000 . 8.000 4.135 2.491 6.082 . 0 0 "[ . 1 . 2 . ]" 1
1160 1 102 VAL HB 1 105 TYR QD 7.000 . 7.000 5.366 4.561 6.100 . 0 0 "[ . 1 . 2 . ]" 1
1161 1 106 LEU QD 1 107 ASN H 6.000 . 6.000 3.601 1.816 4.446 . 0 0 "[ . 1 . 2 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 75
_Distance_constraint_stats_list.Viol_total 122.423
_Distance_constraint_stats_list.Viol_max 0.264
_Distance_constraint_stats_list.Viol_rms 0.0191
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0583
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 11 PHE 0.159 0.071 5 0 "[ . 1 . 2 . ]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 16 LEU 0.159 0.071 5 0 "[ . 1 . 2 . ]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 23 LEU 1.235 0.204 23 0 "[ . 1 . 2 . ]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 27 TRP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 44 ILE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 48 TYR 1.248 0.125 18 0 "[ . 1 . 2 . ]"
1 52 LEU 1.248 0.125 18 0 "[ . 1 . 2 . ]"
1 53 LYS 1.235 0.204 23 0 "[ . 1 . 2 . ]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 58 ASN 0.938 0.133 17 0 "[ . 1 . 2 . ]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 60 ASP 0.938 0.133 17 0 "[ . 1 . 2 . ]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 76 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 77 ILE 0.264 0.264 18 0 "[ . 1 . 2 . ]"
1 78 MET 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 80 PHE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 81 LYS 0.528 0.070 25 0 "[ . 1 . 2 . ]"
1 84 LYS 0.528 0.070 25 0 "[ . 1 . 2 . ]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 89 ILE 0.264 0.264 18 0 "[ . 1 . 2 . ]"
1 95 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 99 VAL 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 10 THR O 1 14 VAL H . . 2.300 1.825 1.781 1.899 . 0 0 "[ . 1 . 2 . ]" 2
2 1 10 THR O 1 14 VAL N . 2.500 3.300 2.818 2.777 2.908 . 0 0 "[ . 1 . 2 . ]" 2
3 1 11 PHE O 1 16 LEU H . . 2.300 2.138 1.870 2.371 0.071 5 0 "[ . 1 . 2 . ]" 2
4 1 11 PHE O 1 16 LEU N . 2.500 3.300 3.088 2.852 3.309 0.009 5 0 "[ . 1 . 2 . ]" 2
5 1 38 ALA O 1 42 ASP H . . 2.300 1.895 1.795 2.056 . 0 0 "[ . 1 . 2 . ]" 2
6 1 38 ALA O 1 42 ASP N . 2.500 3.300 2.874 2.775 3.014 . 0 0 "[ . 1 . 2 . ]" 2
7 1 39 PRO O 1 43 GLU H . . 2.300 1.860 1.797 2.004 . 0 0 "[ . 1 . 2 . ]" 2
8 1 39 PRO O 1 43 GLU N . 2.500 3.300 2.864 2.782 3.010 . 0 0 "[ . 1 . 2 . ]" 2
9 1 40 VAL O 1 44 ILE H . . 2.300 1.872 1.758 2.065 . 0 0 "[ . 1 . 2 . ]" 2
10 1 40 VAL O 1 44 ILE N . 2.500 3.300 2.861 2.758 3.042 . 0 0 "[ . 1 . 2 . ]" 2
11 1 95 LYS O 1 99 VAL H . . 2.300 1.774 1.748 1.835 . 0 0 "[ . 1 . 2 . ]" 2
12 1 95 LYS O 1 99 VAL N . 2.500 3.300 2.774 2.714 2.849 . 0 0 "[ . 1 . 2 . ]" 2
13 1 22 VAL O 1 80 PHE H . . 2.300 1.843 1.786 2.025 . 0 0 "[ . 1 . 2 . ]" 2
14 1 22 VAL O 1 80 PHE N . 2.500 3.300 2.828 2.748 3.012 . 0 0 "[ . 1 . 2 . ]" 2
15 1 22 VAL H 1 80 PHE O . . 2.300 1.818 1.772 1.992 . 0 0 "[ . 1 . 2 . ]" 2
16 1 22 VAL N 1 80 PHE O . 2.500 3.300 2.787 2.718 2.958 . 0 0 "[ . 1 . 2 . ]" 2
17 1 24 VAL O 1 78 MET H . . 2.300 1.863 1.781 1.998 . 0 0 "[ . 1 . 2 . ]" 2
18 1 24 VAL O 1 78 MET N . 2.500 3.300 2.839 2.768 2.962 . 0 0 "[ . 1 . 2 . ]" 2
19 1 24 VAL H 1 78 MET O . . 2.300 1.853 1.778 1.960 . 0 0 "[ . 1 . 2 . ]" 2
20 1 24 VAL N 1 78 MET O . 2.500 3.300 2.835 2.736 2.946 . 0 0 "[ . 1 . 2 . ]" 2
21 1 26 PHE H 1 76 THR O . . 2.300 1.846 1.741 2.204 . 0 0 "[ . 1 . 2 . ]" 2
22 1 26 PHE N 1 76 THR O . 2.500 3.300 2.845 2.666 3.208 . 0 0 "[ . 1 . 2 . ]" 2
23 1 79 VAL H 1 87 GLU O . . 2.300 1.883 1.812 2.094 . 0 0 "[ . 1 . 2 . ]" 2
24 1 79 VAL N 1 87 GLU O . 2.500 3.300 2.870 2.811 3.004 . 0 0 "[ . 1 . 2 . ]" 2
25 1 77 ILE H 1 89 ILE O . . 2.300 1.838 1.770 2.564 0.264 18 0 "[ . 1 . 2 . ]" 2
26 1 77 ILE N 1 89 ILE O . 2.500 3.300 2.791 2.735 3.131 . 0 0 "[ . 1 . 2 . ]" 2
27 1 77 ILE O 1 89 ILE H . . 2.300 1.835 1.778 1.904 . 0 0 "[ . 1 . 2 . ]" 2
28 1 77 ILE O 1 89 ILE N . 2.500 3.300 2.796 2.711 2.872 . 0 0 "[ . 1 . 2 . ]" 2
29 1 23 LEU H 1 53 LYS O . . 2.300 1.947 1.767 2.504 0.204 23 0 "[ . 1 . 2 . ]" 2
30 1 23 LEU N 1 53 LYS O . 2.500 3.300 2.920 2.739 3.408 0.108 23 0 "[ . 1 . 2 . ]" 2
31 1 27 TRP H 1 57 LEU O . . 2.300 1.856 1.769 1.910 . 0 0 "[ . 1 . 2 . ]" 2
32 1 27 TRP N 1 57 LEU O . 2.500 3.300 2.853 2.771 2.907 . 0 0 "[ . 1 . 2 . ]" 2
33 1 27 TRP O 1 59 THR H . . 2.300 1.785 1.746 1.818 . 0 0 "[ . 1 . 2 . ]" 2
34 1 27 TRP O 1 59 THR N . 2.500 3.300 2.781 2.736 2.825 . 0 0 "[ . 1 . 2 . ]" 2
35 1 48 TYR O 1 52 LEU H . . 2.300 2.188 1.840 2.425 0.125 18 0 "[ . 1 . 2 . ]" 2
36 1 48 TYR O 1 52 LEU N . 2.500 3.300 3.058 2.768 3.416 0.116 13 0 "[ . 1 . 2 . ]" 2
37 1 58 ASN O 1 62 SER H . . 2.300 1.939 1.847 2.050 . 0 0 "[ . 1 . 2 . ]" 2
38 1 58 ASN O 1 62 SER N . 2.500 3.300 2.733 2.682 2.821 . 0 0 "[ . 1 . 2 . ]" 2
39 1 58 ASN OD1 1 60 ASP H . . 2.300 2.295 2.024 2.433 0.133 17 0 "[ . 1 . 2 . ]" 2
40 1 58 ASN OD1 1 60 ASP N . 2.500 3.300 2.961 2.845 3.046 . 0 0 "[ . 1 . 2 . ]" 2
41 1 58 ASN OD1 1 61 GLU H . . 2.300 1.834 1.778 1.878 . 0 0 "[ . 1 . 2 . ]" 2
42 1 58 ASN OD1 1 61 GLU N . 2.500 3.300 2.812 2.783 2.846 . 0 0 "[ . 1 . 2 . ]" 2
43 1 81 LYS H 1 84 LYS O . . 2.300 2.089 1.815 2.370 0.070 25 0 "[ . 1 . 2 . ]" 2
44 1 81 LYS N 1 84 LYS O . 2.500 3.300 3.062 2.759 3.365 0.065 25 0 "[ . 1 . 2 . ]" 2
stop_
save_
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