NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
382150 |
1jas   |
5038 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jas
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 1371
_Distance_constraint_stats_list.Viol_count 3324
_Distance_constraint_stats_list.Viol_total 5713.718
_Distance_constraint_stats_list.Viol_max 0.887
_Distance_constraint_stats_list.Viol_rms 0.0407
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.0859
_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 2 SER 0.016 0.016 5 0 "[ . 1 . 2]"
1 3 THR 1.406 0.144 11 0 "[ . 1 . 2]"
1 4 PRO 1.389 0.144 11 0 "[ . 1 . 2]"
1 5 ALA 0.526 0.105 4 0 "[ . 1 . 2]"
1 6 ARG 0.046 0.046 7 0 "[ . 1 . 2]"
1 7 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 0.463 0.083 14 0 "[ . 1 . 2]"
1 9 LEU 2.376 0.112 13 0 "[ . 1 . 2]"
1 10 MET 5.621 0.887 14 4 "[ . 1 *+. -*2]"
1 11 ARG 9.375 0.706 11 6 "[ -*. 1+ * **2]"
1 12 ASP 4.090 0.185 14 0 "[ . 1 . 2]"
1 13 PHE 5.646 0.124 10 0 "[ . 1 . 2]"
1 14 LYS 1.070 0.091 3 0 "[ . 1 . 2]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 2.214 0.666 14 1 "[ . 1 +. 2]"
1 17 GLN 0.848 0.124 10 0 "[ . 1 . 2]"
1 18 GLU 5.624 0.673 11 1 "[ . 1+ . 2]"
1 19 ASP 4.558 0.673 11 1 "[ . 1+ . 2]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PRO 0.453 0.085 7 0 "[ . 1 . 2]"
1 22 VAL 0.065 0.065 13 0 "[ . 1 . 2]"
1 23 GLY 0.660 0.452 2 0 "[ . 1 . 2]"
1 24 VAL 8.851 0.152 4 0 "[ . 1 . 2]"
1 25 SER 4.059 0.810 14 1 "[ . 1 +. 2]"
1 26 GLY 3.803 0.291 14 0 "[ . 1 . 2]"
1 27 ALA 3.859 0.723 6 2 "[ - .+ 1 . 2]"
1 28 PRO 2.178 0.115 10 0 "[ . 1 . 2]"
1 29 SER 0.714 0.077 1 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASN 0.198 0.073 15 0 "[ . 1 . 2]"
1 32 ASN 0.198 0.073 15 0 "[ . 1 . 2]"
1 33 ILE 4.918 0.887 14 4 "[ . 1 *+. -*2]"
1 34 MET 8.931 0.590 8 4 "[ -. +*1 . *]"
1 35 GLN 4.559 0.104 10 0 "[ . 1 . 2]"
1 36 TRP 8.746 0.112 13 0 "[ . 1 . 2]"
1 37 ASN 11.228 0.723 6 2 "[ - .+ 1 . 2]"
1 38 ALA 6.900 0.249 14 0 "[ . 1 . 2]"
1 39 VAL 3.083 0.810 14 1 "[ . 1 +. 2]"
1 40 ILE 8.311 0.152 4 0 "[ . 1 . 2]"
1 41 PHE 1.243 0.108 14 0 "[ . 1 . 2]"
1 43 PRO 3.464 0.101 9 0 "[ . 1 . 2]"
1 44 GLU 0.292 0.058 13 0 "[ . 1 . 2]"
1 45 GLY 1.442 0.075 7 0 "[ . 1 . 2]"
1 46 THR 3.356 0.104 7 0 "[ . 1 . 2]"
1 47 PRO 2.695 0.427 7 0 "[ . 1 . 2]"
1 48 PHE 14.873 0.427 7 0 "[ . 1 . 2]"
1 49 GLU 4.728 0.093 9 0 "[ . 1 . 2]"
1 50 ASP 0.475 0.089 16 0 "[ . 1 . 2]"
1 51 GLY 1.976 0.093 16 0 "[ . 1 . 2]"
1 52 THR 2.207 0.108 15 0 "[ . 1 . 2]"
1 53 PHE 12.495 0.141 17 0 "[ . 1 . 2]"
1 54 LYS 5.524 0.499 1 0 "[ . 1 . 2]"
1 55 LEU 8.321 0.646 14 1 "[ . 1 +. 2]"
1 56 VAL 13.026 0.510 11 1 "[ . 1+ . 2]"
1 57 ILE 7.814 0.124 14 0 "[ . 1 . 2]"
1 58 GLU 2.644 0.096 6 0 "[ . 1 . 2]"
1 59 PHE 0.647 0.111 5 0 "[ . 1 . 2]"
1 60 SER 0.991 0.098 19 0 "[ . 1 . 2]"
1 61 GLU 2.884 0.590 8 4 "[ -. +*1 . *]"
1 62 GLU 0.853 0.097 11 0 "[ . 1 . 2]"
1 63 TYR 1.137 0.105 4 0 "[ . 1 . 2]"
1 64 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASN 0.705 0.076 7 0 "[ . 1 . 2]"
1 66 LYS 3.518 0.369 19 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PRO 0.002 0.002 1 0 "[ . 1 . 2]"
1 69 THR 2.101 0.121 6 0 "[ . 1 . 2]"
1 70 VAL 3.418 0.193 17 0 "[ . 1 . 2]"
1 71 ARG 9.273 0.510 11 1 "[ . 1+ . 2]"
1 72 PHE 10.588 0.198 5 0 "[ . 1 . 2]"
1 73 LEU 3.484 0.111 10 0 "[ . 1 . 2]"
1 74 SER 1.666 0.088 16 0 "[ . 1 . 2]"
1 75 LYS 2.083 0.499 2 0 "[ . 1 . 2]"
1 76 MET 3.432 0.131 12 0 "[ . 1 . 2]"
1 77 PHE 5.607 0.118 10 0 "[ . 1 . 2]"
1 78 HIS 16.785 0.876 17 6 "[ *. * 1-* . + *]"
1 79 PRO 0.821 0.095 17 0 "[ . 1 . 2]"
1 80 ASN 2.410 0.210 13 0 "[ . 1 . 2]"
1 81 VAL 5.580 0.131 12 0 "[ . 1 . 2]"
1 82 TYR 2.613 0.108 4 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLY 3.234 0.107 9 0 "[ . 1 . 2]"
1 86 SER 0.822 0.081 17 0 "[ . 1 . 2]"
1 87 ILE 7.371 0.317 2 0 "[ . 1 . 2]"
1 88 CYS 0.621 0.073 3 0 "[ . 1 . 2]"
1 89 LEU 4.980 0.125 15 0 "[ . 1 . 2]"
1 90 ASP 0.085 0.051 11 0 "[ . 1 . 2]"
1 91 ILE 3.707 0.132 19 0 "[ . 1 . 2]"
1 92 LEU 4.275 0.132 19 0 "[ . 1 . 2]"
1 93 GLN 0.085 0.051 11 0 "[ . 1 . 2]"
1 94 ASN 0.002 0.002 4 0 "[ . 1 . 2]"
1 95 ARG 1.507 0.405 9 0 "[ . 1 . 2]"
1 96 TRP 11.501 0.584 5 1 "[ + 1 . 2]"
1 97 SER 2.818 0.195 2 0 "[ . 1 . 2]"
1 98 PRO 1.802 0.093 16 0 "[ . 1 . 2]"
1 99 THR 2.106 0.122 9 0 "[ . 1 . 2]"
1 100 TYR 5.001 0.195 2 0 "[ . 1 . 2]"
1 101 ASP 0.297 0.131 13 0 "[ . 1 . 2]"
1 102 VAL 4.521 0.131 13 0 "[ . 1 . 2]"
1 103 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 SER 3.826 0.685 16 4 "[* .- * 1 .+ 2]"
1 105 ILE 8.732 0.685 16 5 "[* -* * 1 .+ 2]"
1 106 LEU 4.512 0.646 14 1 "[ . 1 +. 2]"
1 107 THR 2.021 0.097 3 0 "[ . 1 . 2]"
1 108 SER 1.923 0.107 14 0 "[ . 1 . 2]"
1 109 ILE 7.157 0.138 4 0 "[ . 1 . 2]"
1 110 GLN 6.330 0.452 2 0 "[ . 1 . 2]"
1 111 SER 1.953 0.319 4 0 "[ . 1 . 2]"
1 112 LEU 9.920 0.876 17 6 "[ *. * 1-* . + *]"
1 113 LEU 13.111 0.130 15 0 "[ . 1 . 2]"
1 114 ASP 2.359 0.095 16 0 "[ . 1 . 2]"
1 115 GLU 4.145 0.093 17 0 "[ . 1 . 2]"
1 116 PRO 3.792 0.328 9 0 "[ . 1 . 2]"
1 117 ASN 0.072 0.072 11 0 "[ . 1 . 2]"
1 118 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ASN 0.002 0.002 20 0 "[ . 1 . 2]"
1 120 SER 2.577 0.517 9 1 "[ . +1 . 2]"
1 121 PRO 3.387 0.517 9 1 "[ . +1 . 2]"
1 122 ALA 0.992 0.087 1 0 "[ . 1 . 2]"
1 123 ASN 1.758 0.108 4 0 "[ . 1 . 2]"
1 124 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 GLN 0.697 0.112 10 0 "[ . 1 . 2]"
1 126 ALA 3.436 0.105 17 0 "[ . 1 . 2]"
1 127 ALA 1.479 0.102 19 0 "[ . 1 . 2]"
1 128 GLN 2.386 0.105 17 0 "[ . 1 . 2]"
1 129 LEU 1.628 0.112 10 0 "[ . 1 . 2]"
1 130 TYR 8.191 0.837 9 2 "[ . - +1 . 2]"
1 131 GLN 9.233 0.627 13 4 "[ . * -* + . 2]"
1 132 GLU 3.572 0.398 8 0 "[ . 1 . 2]"
1 133 ASN 1.033 0.079 14 0 "[ . 1 . 2]"
1 134 LYS 2.634 0.115 11 0 "[ . 1 . 2]"
1 135 ARG 1.020 0.098 3 0 "[ . 1 . 2]"
1 136 GLU 0.963 0.098 3 0 "[ . 1 . 2]"
1 137 TYR 8.647 0.837 9 2 "[ . - +1 . 2]"
1 138 GLU 1.293 0.079 19 0 "[ . 1 . 2]"
1 139 LYS 3.684 0.435 9 0 "[ . 1 . 2]"
1 140 ARG 7.657 0.278 5 0 "[ . 1 . 2]"
1 141 VAL 3.739 0.131 10 0 "[ . 1 . 2]"
1 142 SER 0.396 0.085 10 0 "[ . 1 . 2]"
1 143 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 ILE 13.483 0.499 2 0 "[ . 1 . 2]"
1 145 VAL 4.190 0.147 13 0 "[ . 1 . 2]"
1 146 GLU 4.281 0.815 2 1 "[ + . 1 . 2]"
1 147 GLN 1.331 0.087 5 0 "[ . 1 . 2]"
1 148 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 TRP 5.456 0.815 2 1 "[ + . 1 . 2]"
1 151 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 SER 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 37 ASN HA 1 56 VAL HA . . 3.890 2.186 2.033 2.496 . 0 0 "[ . 1 . 2]" 1
2 1 132 GLU HB3 1 133 ASN HB2 . . 3.850 3.705 2.917 3.929 0.079 14 0 "[ . 1 . 2]" 1
3 1 134 LYS QB 1 134 LYS QD . . 3.300 2.358 2.086 2.645 . 0 0 "[ . 1 . 2]" 1
4 1 11 ARG HA 1 14 LYS QB . . 3.930 2.654 2.194 3.114 . 0 0 "[ . 1 . 2]" 1
5 1 98 PRO HG2 1 99 THR MG . . 3.930 3.561 3.057 4.008 0.078 20 0 "[ . 1 . 2]" 1
6 1 117 ASN HA 1 118 PRO HD2 . . 3.560 2.210 2.060 2.824 . 0 0 "[ . 1 . 2]" 1
7 1 97 SER HA 1 98 PRO QD . . 3.380 2.133 2.059 2.268 . 0 0 "[ . 1 . 2]" 1
8 1 26 GLY HA3 1 38 ALA HA . . 3.870 3.403 2.729 3.817 . 0 0 "[ . 1 . 2]" 1
9 1 115 GLU HA 1 116 PRO HD3 . . 3.860 2.848 2.634 3.064 . 0 0 "[ . 1 . 2]" 1
10 1 66 LYS HA 1 67 PRO HD2 . . 3.510 2.281 2.107 2.631 . 0 0 "[ . 1 . 2]" 1
11 1 58 GLU HB2 1 69 THR HB . . 3.660 2.269 2.021 2.882 . 0 0 "[ . 1 . 2]" 1
12 1 129 LEU QD 1 136 GLU QB . . 3.860 3.180 1.761 3.609 . 0 0 "[ . 1 . 2]" 1
13 1 14 LYS HA 1 17 GLN QB . . 3.300 2.706 2.339 3.270 . 0 0 "[ . 1 . 2]" 1
14 1 139 LYS HA 1 139 LYS QD . . 4.080 3.559 2.174 4.156 0.076 17 0 "[ . 1 . 2]" 1
15 1 136 GLU HA 1 139 LYS QD . . 4.010 3.089 2.091 4.106 0.096 7 0 "[ . 1 . 2]" 1
16 1 3 THR HB 1 4 PRO HD2 . . 4.090 3.814 2.505 4.159 0.069 20 0 "[ . 1 . 2]" 1
17 1 143 ALA HA 1 146 GLU HB3 . . 3.830 2.571 2.286 3.028 . 0 0 "[ . 1 . 2]" 1
18 1 75 LYS HA 1 75 LYS QD . . 3.830 2.749 2.155 3.928 0.098 1 0 "[ . 1 . 2]" 1
19 1 134 LYS HA 1 134 LYS QD . . 4.050 2.903 2.267 3.542 . 0 0 "[ . 1 . 2]" 1
20 1 27 ALA HA 1 28 PRO HD2 . . 4.030 2.652 2.425 2.960 . 0 0 "[ . 1 . 2]" 1
21 1 95 ARG HA 1 95 ARG HG2 . . 4.020 2.585 2.141 3.582 . 0 0 "[ . 1 . 2]" 1
22 1 89 LEU MD1 1 91 ILE QG . . 4.540 3.281 2.625 3.619 . 0 0 "[ . 1 . 2]" 1
23 1 40 ILE HG13 1 55 LEU MD1 . . 4.300 2.256 2.094 2.520 . 0 0 "[ . 1 . 2]" 1
24 1 55 LEU HA 1 55 LEU MD1 . . 4.070 3.314 3.081 3.444 . 0 0 "[ . 1 . 2]" 1
25 1 57 ILE HG13 1 70 VAL MG2 . . 4.070 4.156 4.143 4.164 0.094 17 0 "[ . 1 . 2]" 1
26 1 55 LEU MD2 1 70 VAL MG2 . . 4.150 4.026 3.767 4.235 0.085 18 0 "[ . 1 . 2]" 1
27 1 55 LEU MD2 1 70 VAL MG1 . . 3.590 2.066 1.983 2.165 . 0 0 "[ . 1 . 2]" 1
28 1 16 LEU HA 1 16 LEU QD . . 3.300 2.252 2.124 2.384 . 0 0 "[ . 1 . 2]" 1
29 1 16 LEU QD 1 102 VAL MG1 . . 3.830 2.216 2.067 2.892 . 0 0 "[ . 1 . 2]" 1
30 1 26 GLY HA2 1 38 ALA HA . . 3.840 2.066 1.994 2.199 . 0 0 "[ . 1 . 2]" 1
31 1 106 LEU HA 1 106 LEU MD1 . . 4.190 3.801 3.738 3.866 . 0 0 "[ . 1 . 2]" 1
32 1 105 ILE HA 1 109 ILE HG13 . . 4.530 4.397 4.180 4.611 0.081 12 0 "[ . 1 . 2]" 1
33 1 9 LEU MD1 1 33 ILE HG13 . . 4.440 3.232 2.220 4.195 . 0 0 "[ . 1 . 2]" 1
34 1 9 LEU MD1 1 34 MET HA . . 4.270 2.932 2.439 3.911 . 0 0 "[ . 1 . 2]" 1
35 1 77 PHE HZ 1 129 LEU QD . . 4.380 2.548 2.289 3.182 . 0 0 "[ . 1 . 2]" 1
36 1 73 LEU HA 1 73 LEU MD1 . . 4.120 3.832 3.796 3.874 . 0 0 "[ . 1 . 2]" 1
37 1 56 VAL HB 1 73 LEU MD1 . . 3.480 2.332 2.159 2.492 . 0 0 "[ . 1 . 2]" 1
38 1 73 LEU HB2 1 73 LEU MD1 . . 3.370 2.379 2.315 2.438 . 0 0 "[ . 1 . 2]" 1
39 1 110 GLN HA 1 113 LEU MD1 . . 4.280 2.406 2.126 2.758 . 0 0 "[ . 1 . 2]" 1
40 1 43 PRO HD3 1 113 LEU MD1 . . 4.490 3.976 2.236 4.591 0.101 9 0 "[ . 1 . 2]" 1
41 1 134 LYS HA 1 134 LYS QG . . 3.960 2.339 2.097 2.650 . 0 0 "[ . 1 . 2]" 1
42 1 75 LYS HA 1 75 LYS QG . . 3.900 2.920 2.044 3.477 . 0 0 "[ . 1 . 2]" 1
43 1 75 LYS QE 1 75 LYS QG . . 3.360 2.222 2.014 2.464 . 0 0 "[ . 1 . 2]" 1
44 1 139 LYS HA 1 139 LYS HG3 . . 4.070 2.806 2.256 3.834 . 0 0 "[ . 1 . 2]" 1
45 1 16 LEU QD 1 21 PRO HD2 . . 4.030 2.169 2.016 2.374 . 0 0 "[ . 1 . 2]" 1
46 1 139 LYS QE 1 139 LYS HG3 . . 3.740 2.691 2.220 3.488 . 0 0 "[ . 1 . 2]" 1
47 1 16 LEU QD 1 103 SER HA . . 3.780 3.118 2.836 3.513 . 0 0 "[ . 1 . 2]" 1
48 1 26 GLY HA3 1 38 ALA MB . . 4.070 2.844 2.482 3.298 . 0 0 "[ . 1 . 2]" 1
49 1 26 GLY HA2 1 38 ALA MB . . 4.030 2.738 2.461 3.209 . 0 0 "[ . 1 . 2]" 1
50 1 38 ALA MB 1 55 LEU HB3 . . 3.890 3.354 2.757 4.139 0.249 14 0 "[ . 1 . 2]" 1
51 1 142 SER HA 1 145 VAL MG2 . . 4.160 3.865 3.365 4.245 0.085 10 0 "[ . 1 . 2]" 1
52 1 120 SER HB3 1 121 PRO HD2 . . 4.010 4.127 3.791 4.527 0.517 9 1 "[ . +1 . 2]" 1
53 1 129 LEU QD 1 133 ASN HB2 . . 4.050 2.507 2.190 3.868 . 0 0 "[ . 1 . 2]" 1
54 1 129 LEU QD 1 133 ASN HB3 . . 3.840 3.377 2.255 3.741 . 0 0 "[ . 1 . 2]" 1
55 1 129 LEU QD 1 136 GLU QG . . 4.110 1.992 1.756 2.255 . 0 0 "[ . 1 . 2]" 1
56 1 128 GLN HG2 1 129 LEU QD . . 4.070 3.133 2.363 3.499 . 0 0 "[ . 1 . 2]" 1
57 1 129 LEU QD 1 132 GLU HB2 . . 3.940 3.491 3.065 3.998 0.058 13 0 "[ . 1 . 2]" 1
58 1 71 ARG HB2 1 71 ARG HD2 . . 3.940 3.398 2.480 4.018 0.078 1 0 "[ . 1 . 2]" 1
59 1 95 ARG HA 1 95 ARG QD . . 3.650 2.992 2.062 3.751 0.101 9 0 "[ . 1 . 2]" 1
60 1 95 ARG HB2 1 95 ARG QD . . 3.650 2.970 2.250 3.466 . 0 0 "[ . 1 . 2]" 1
61 1 95 ARG HB3 1 95 ARG QD . . 3.860 2.404 2.147 3.331 . 0 0 "[ . 1 . 2]" 1
62 1 9 LEU MD2 1 102 VAL MG2 . . 4.480 3.455 2.831 4.049 . 0 0 "[ . 1 . 2]" 1
63 1 16 LEU QD 1 103 SER QB . . 4.030 2.477 2.124 3.220 . 0 0 "[ . 1 . 2]" 1
64 1 71 ARG HB2 1 73 LEU MD2 . . 3.220 3.295 3.082 3.331 0.111 10 0 "[ . 1 . 2]" 1
65 1 24 VAL MG1 1 107 THR MG . . 4.130 3.052 2.788 3.357 . 0 0 "[ . 1 . 2]" 1
66 1 70 VAL MG1 1 92 LEU MD1 . . 4.450 4.141 3.822 4.485 0.035 14 0 "[ . 1 . 2]" 1
67 1 142 SER HA 1 145 VAL HB . . 3.640 2.940 2.330 3.403 . 0 0 "[ . 1 . 2]" 1
68 1 21 PRO HB2 1 107 THR MG . . 4.060 2.702 2.398 2.977 . 0 0 "[ . 1 . 2]" 1
69 1 55 LEU MD2 1 106 LEU MD2 . . 4.530 2.946 2.528 3.594 . 0 0 "[ . 1 . 2]" 1
70 1 55 LEU HB2 1 70 VAL MG1 . . 4.010 3.881 3.668 4.203 0.193 17 0 "[ . 1 . 2]" 1
71 1 21 PRO HG3 1 107 THR MG . . 4.090 3.405 2.767 3.734 . 0 0 "[ . 1 . 2]" 1
72 1 3 THR MG 1 4 PRO HD3 . . 4.420 4.055 3.103 4.564 0.144 11 0 "[ . 1 . 2]" 1
73 1 91 ILE QG 1 92 LEU MD2 . . 4.550 2.763 2.176 3.143 . 0 0 "[ . 1 . 2]" 1
74 1 106 LEU HA 1 106 LEU MD2 . . 3.520 2.252 2.175 2.361 . 0 0 "[ . 1 . 2]" 1
75 1 43 PRO HB2 1 46 THR MG . . 3.670 3.652 2.826 3.755 0.085 20 0 "[ . 1 . 2]" 1
76 1 46 THR MG 1 114 ASP HB3 . . 4.100 3.828 3.500 4.195 0.095 16 0 "[ . 1 . 2]" 1
77 1 66 LYS HB3 1 66 LYS QE . . 3.690 3.075 2.151 4.059 0.369 19 0 "[ . 1 . 2]" 1
78 1 134 LYS QB 1 134 LYS QE . . 4.060 3.001 2.085 3.841 . 0 0 "[ . 1 . 2]" 1
79 1 14 LYS QB 1 14 LYS QE . . 3.720 2.662 1.959 3.633 . 0 0 "[ . 1 . 2]" 1
80 1 28 PRO HA 1 36 TRP HA . . 3.990 1.947 1.840 2.238 . 0 0 "[ . 1 . 2]" 1
81 1 139 LYS QB 1 139 LYS QE . . 3.500 3.069 2.123 3.601 0.101 15 0 "[ . 1 . 2]" 1
82 1 21 PRO HA 1 22 VAL MG2 . . 4.220 3.316 2.782 3.751 . 0 0 "[ . 1 . 2]" 1
83 1 102 VAL MG1 1 106 LEU HG . . 4.270 3.934 3.620 4.252 . 0 0 "[ . 1 . 2]" 1
84 1 57 ILE HA 1 70 VAL MG2 . . 4.100 3.140 2.793 3.579 . 0 0 "[ . 1 . 2]" 1
85 1 70 VAL MG2 1 92 LEU MD1 . . 3.970 2.315 2.072 2.703 . 0 0 "[ . 1 . 2]" 1
86 1 129 LEU QD 1 140 ARG HD2 . . 4.410 3.854 2.337 4.447 0.037 19 0 "[ . 1 . 2]" 1
87 1 24 VAL MG2 1 106 LEU HB2 . . 4.440 2.569 2.274 2.926 . 0 0 "[ . 1 . 2]" 1
88 1 37 ASN HA 1 56 VAL MG2 . . 4.280 3.550 3.389 3.787 . 0 0 "[ . 1 . 2]" 1
89 1 56 VAL HA 1 56 VAL MG2 . . 3.630 2.595 2.516 2.694 . 0 0 "[ . 1 . 2]" 1
90 1 35 GLN HG2 1 56 VAL MG2 . . 3.740 2.127 2.021 2.288 . 0 0 "[ . 1 . 2]" 1
91 1 56 VAL MG2 1 71 ARG HB2 . . 3.780 3.890 3.882 3.901 0.121 9 0 "[ . 1 . 2]" 1
92 1 81 VAL MG1 1 85 GLY HA2 . . 4.440 3.168 2.481 3.422 . 0 0 "[ . 1 . 2]" 1
93 1 76 MET HB3 1 81 VAL MG1 . . 3.880 2.287 2.033 2.733 . 0 0 "[ . 1 . 2]" 1
94 1 113 LEU HA 1 113 LEU MD2 . . 3.530 2.451 2.301 2.680 . 0 0 "[ . 1 . 2]" 1
95 1 113 LEU HB3 1 113 LEU MD2 . . 3.390 2.289 2.210 2.472 . 0 0 "[ . 1 . 2]" 1
96 1 22 VAL HA 1 22 VAL MG1 . . 3.410 2.380 2.264 2.625 . 0 0 "[ . 1 . 2]" 1
97 1 5 ALA MB 1 61 GLU HA . . 3.710 2.031 1.861 2.625 . 0 0 "[ . 1 . 2]" 1
98 1 13 PHE HZ 1 27 ALA MB . . 4.120 4.119 3.823 4.209 0.089 18 0 "[ . 1 . 2]" 1
99 1 13 PHE QE 1 27 ALA MB . . 4.180 2.706 2.243 3.062 . 0 0 "[ . 1 . 2]" 1
100 1 27 ALA MB 1 28 PRO HD3 . . 3.760 3.368 2.984 3.584 . 0 0 "[ . 1 . 2]" 1
101 1 27 ALA MB 1 28 PRO HD2 . . 3.890 2.224 2.087 2.416 . 0 0 "[ . 1 . 2]" 1
102 1 56 VAL MG1 1 71 ARG HD2 . . 4.340 3.781 2.605 4.503 0.163 11 0 "[ . 1 . 2]" 1
103 1 56 VAL MG1 1 71 ARG HB2 . . 3.490 1.916 1.877 1.976 . 0 0 "[ . 1 . 2]" 1
104 1 56 VAL MG1 1 71 ARG HB3 . . 3.430 3.256 3.128 3.405 . 0 0 "[ . 1 . 2]" 1
105 1 56 VAL MG1 1 71 ARG QG . . 3.820 2.893 2.157 3.236 . 0 0 "[ . 1 . 2]" 1
106 1 57 ILE MD 1 70 VAL HA . . 4.060 3.311 3.049 3.535 . 0 0 "[ . 1 . 2]" 1
107 1 24 VAL MG2 1 107 THR HA . . 4.170 3.008 2.776 3.214 . 0 0 "[ . 1 . 2]" 1
108 1 145 VAL HA 1 145 VAL MG1 . . 3.750 2.602 2.490 2.743 . 0 0 "[ . 1 . 2]" 1
109 1 11 ARG HA 1 11 ARG HG2 . . 3.730 3.470 2.480 4.245 0.515 18 2 "[ - . 1 . + 2]" 1
110 1 7 ARG HA 1 7 ARG HG2 . . 3.960 2.918 2.238 3.824 . 0 0 "[ . 1 . 2]" 1
111 1 11 ARG HA 1 11 ARG HG3 . . 4.190 3.534 2.008 3.839 . 0 0 "[ . 1 . 2]" 1
112 1 57 ILE MG 1 68 PRO QB . . 4.030 2.049 1.922 2.252 . 0 0 "[ . 1 . 2]" 1
113 1 57 ILE MG 1 70 VAL MG2 . . 3.530 2.106 2.017 2.253 . 0 0 "[ . 1 . 2]" 1
114 1 139 LYS HA 1 139 LYS HG2 . . 4.060 3.071 2.485 3.741 . 0 0 "[ . 1 . 2]" 1
115 1 30 GLU HA 1 30 GLU QG . . 3.590 2.564 2.137 3.515 . 0 0 "[ . 1 . 2]" 1
116 1 79 PRO HA 1 127 ALA MB . . 4.110 3.942 3.359 4.205 0.095 17 0 "[ . 1 . 2]" 1
117 1 124 SER HA 1 127 ALA MB . . 3.760 2.458 2.125 3.263 . 0 0 "[ . 1 . 2]" 1
118 1 121 PRO HB3 1 127 ALA MB . . 4.360 2.998 2.397 3.480 . 0 0 "[ . 1 . 2]" 1
119 1 121 PRO HB2 1 127 ALA MB . . 4.340 3.047 2.232 3.578 . 0 0 "[ . 1 . 2]" 1
120 1 109 ILE MG 1 112 LEU MD1 . . 4.830 4.902 4.687 4.968 0.138 4 0 "[ . 1 . 2]" 1
121 1 109 ILE MG 1 112 LEU HB3 . . 4.360 3.344 2.897 3.625 . 0 0 "[ . 1 . 2]" 1
122 1 89 LEU HG 1 91 ILE MG . . 4.080 3.833 3.561 4.086 0.006 9 0 "[ . 1 . 2]" 1
123 1 87 ILE MG 1 89 LEU HB3 . . 4.200 3.026 2.657 3.755 . 0 0 "[ . 1 . 2]" 1
124 1 18 GLU HA 1 18 GLU HG3 . . 3.550 3.411 2.778 3.932 0.382 2 0 "[ . 1 . 2]" 1
125 1 146 GLU QG 1 147 GLN HA . . 3.230 3.234 2.819 3.283 0.053 4 0 "[ . 1 . 2]" 1
126 1 140 ARG HA 1 140 ARG HD3 . . 4.000 3.879 3.183 4.278 0.278 5 0 "[ . 1 . 2]" 1
127 1 140 ARG HA 1 143 ALA MB . . 4.050 2.441 2.241 2.827 . 0 0 "[ . 1 . 2]" 1
128 1 8 ARG HA 1 8 ARG HD2 . . 4.110 3.072 2.243 4.189 0.079 14 0 "[ . 1 . 2]" 1
129 1 131 GLN HA 1 131 GLN HG3 . . 3.850 3.443 2.221 3.914 0.064 5 0 "[ . 1 . 2]" 1
130 1 40 ILE MG 1 55 LEU MD1 . . 4.150 4.036 3.881 4.250 0.100 14 0 "[ . 1 . 2]" 1
131 1 40 ILE MG 1 110 GLN HB3 . . 3.980 3.831 3.635 4.070 0.090 15 0 "[ . 1 . 2]" 1
132 1 24 VAL HA 1 40 ILE MG . . 4.700 3.972 3.727 4.210 . 0 0 "[ . 1 . 2]" 1
133 1 24 VAL HB 1 40 ILE MG . . 3.980 4.043 3.972 4.068 0.088 1 0 "[ . 1 . 2]" 1
134 1 40 ILE MG 1 109 ILE MG . . 4.360 3.584 3.241 4.037 . 0 0 "[ . 1 . 2]" 1
135 1 128 GLN HG2 1 129 LEU HA . . 3.840 3.701 3.130 3.903 0.063 8 0 "[ . 1 . 2]" 1
136 1 131 GLN HA 1 131 GLN HG2 . . 3.920 3.616 2.371 3.995 0.075 19 0 "[ . 1 . 2]" 1
137 1 34 MET ME 1 60 SER HA . . 3.620 3.620 3.098 3.718 0.098 19 0 "[ . 1 . 2]" 1
138 1 34 MET HA 1 34 MET ME . . 4.090 2.556 1.983 3.576 . 0 0 "[ . 1 . 2]" 1
139 1 34 MET ME 1 61 GLU HA . . 3.190 2.949 2.493 3.267 0.077 14 0 "[ . 1 . 2]" 1
140 1 6 ARG HA 1 34 MET ME . . 4.220 3.478 2.842 4.266 0.046 7 0 "[ . 1 . 2]" 1
141 1 34 MET ME 1 34 MET HG2 . . 3.500 2.767 2.272 3.329 . 0 0 "[ . 1 . 2]" 1
142 1 9 LEU HB2 1 34 MET ME . . 3.970 4.068 4.033 4.082 0.112 13 0 "[ . 1 . 2]" 1
143 1 44 GLU HA 1 49 GLU HB2 . . 4.120 3.250 2.576 3.791 . 0 0 "[ . 1 . 2]" 1
144 1 10 MET HA 1 10 MET ME . . 4.290 3.246 1.961 4.300 0.010 9 0 "[ . 1 . 2]" 1
145 1 10 MET ME 1 10 MET HG3 . . 4.010 2.954 2.416 3.491 . 0 0 "[ . 1 . 2]" 1
146 1 62 GLU HA 1 62 GLU QG . . 3.460 2.466 2.141 3.502 0.042 12 0 "[ . 1 . 2]" 1
147 1 18 GLU HA 1 18 GLU HG2 . . 3.870 3.002 2.122 3.859 . 0 0 "[ . 1 . 2]" 1
148 1 132 GLU HA 1 132 GLU QG . . 3.770 2.533 2.150 3.101 . 0 0 "[ . 1 . 2]" 1
149 1 115 GLU HA 1 115 GLU QG . . 3.790 2.418 2.219 3.353 . 0 0 "[ . 1 . 2]" 1
150 1 149 TRP HA 1 149 TRP HD1 . . 3.780 2.736 2.584 3.097 . 0 0 "[ . 1 . 2]" 1
151 1 129 LEU HA 1 136 GLU QG . . 4.210 4.008 3.834 4.190 . 0 0 "[ . 1 . 2]" 1
152 1 87 ILE HA 1 87 ILE MD . . 4.400 3.839 3.785 3.893 . 0 0 "[ . 1 . 2]" 1
153 1 71 ARG HA 1 87 ILE MD . . 4.240 3.971 3.222 4.320 0.080 3 0 "[ . 1 . 2]" 1
154 1 73 LEU HA 1 73 LEU HG . . 3.930 3.278 3.175 3.377 . 0 0 "[ . 1 . 2]" 1
155 1 55 LEU HA 1 72 PHE HA . . 3.900 2.466 2.296 2.708 . 0 0 "[ . 1 . 2]" 1
156 1 40 ILE MD 1 55 LEU MD1 . . 3.890 2.573 2.300 2.885 . 0 0 "[ . 1 . 2]" 1
157 1 125 GLN HG3 1 129 LEU HG . . 3.870 3.652 2.941 3.953 0.083 5 0 "[ . 1 . 2]" 1
158 1 125 GLN HA 1 125 GLN HG3 . . 3.920 2.582 2.339 2.767 . 0 0 "[ . 1 . 2]" 1
159 1 40 ILE MD 1 106 LEU HA . . 4.250 3.139 2.781 3.452 . 0 0 "[ . 1 . 2]" 1
160 1 40 ILE HB 1 40 ILE MD . . 3.740 2.424 2.333 2.557 . 0 0 "[ . 1 . 2]" 1
161 1 147 GLN HA 1 147 GLN QG . . 3.650 2.466 2.150 2.833 . 0 0 "[ . 1 . 2]" 1
162 1 17 GLN HA 1 17 GLN QG . . 3.770 2.371 2.189 2.708 . 0 0 "[ . 1 . 2]" 1
163 1 10 MET HG2 1 33 ILE MD . . 4.150 2.997 2.086 4.193 0.043 8 0 "[ . 1 . 2]" 1
164 1 70 VAL MG2 1 105 ILE MD . . 4.270 3.561 2.928 4.166 . 0 0 "[ . 1 . 2]" 1
165 1 10 MET ME 1 33 ILE MD . . 2.400 2.238 1.959 2.494 0.094 15 0 "[ . 1 . 2]" 1
166 1 71 ARG HB3 1 71 ARG HD2 . . 3.950 3.566 3.091 3.889 . 0 0 "[ . 1 . 2]" 1
167 1 105 ILE HA 1 105 ILE MD . . 4.600 3.917 3.776 4.015 . 0 0 "[ . 1 . 2]" 1
168 1 91 ILE MD 1 105 ILE HA . . 4.320 3.666 3.079 4.408 0.088 6 0 "[ . 1 . 2]" 1
169 1 93 GLN HA 1 93 GLN QG . . 3.660 2.523 2.270 3.076 . 0 0 "[ . 1 . 2]" 1
170 1 56 VAL MG1 1 57 ILE MD . . 4.690 4.515 4.307 4.738 0.048 14 0 "[ . 1 . 2]" 1
171 1 57 ILE MD 1 102 VAL MG1 . . 4.150 4.093 3.690 4.264 0.114 2 0 "[ . 1 . 2]" 1
172 1 128 GLN HA 1 128 GLN HG3 . . 3.700 2.602 2.384 2.937 . 0 0 "[ . 1 . 2]" 1
173 1 76 MET ME 1 144 ILE MD . . 4.480 2.884 1.961 4.565 0.085 2 0 "[ . 1 . 2]" 1
174 1 53 PHE QD 1 144 ILE MD . . 4.710 4.389 3.865 4.780 0.070 13 0 "[ . 1 . 2]" 1
175 1 53 PHE QD 1 76 MET ME . . 4.270 3.618 2.688 4.371 0.101 6 0 "[ . 1 . 2]" 1
176 1 76 MET HA 1 76 MET ME . . 3.620 2.833 2.140 3.622 0.002 2 0 "[ . 1 . 2]" 1
177 1 76 MET HB2 1 76 MET ME . . 4.020 3.944 3.492 4.122 0.102 1 0 "[ . 1 . 2]" 1
178 1 76 MET HA 1 144 ILE MD . . 3.850 2.292 2.046 3.422 . 0 0 "[ . 1 . 2]" 1
179 1 140 ARG HA 1 140 ARG HD2 . . 4.200 3.653 2.511 4.290 0.090 10 0 "[ . 1 . 2]" 1
180 1 39 VAL QG 1 54 LYS HG2 . . 4.890 3.063 2.068 4.020 . 0 0 "[ . 1 . 2]" 1
181 1 10 MET ME 1 33 ILE MG . . 4.940 3.877 3.006 5.051 0.111 17 0 "[ . 1 . 2]" 1
182 1 33 ILE MG 1 34 MET HB2 . . 4.490 4.045 3.545 4.349 . 0 0 "[ . 1 . 2]" 1
183 1 6 ARG HA 1 9 LEU MD1 . . 4.540 3.006 2.346 4.491 . 0 0 "[ . 1 . 2]" 1
184 1 69 THR HA 1 92 LEU MD1 . . 4.540 3.888 3.275 4.626 0.086 16 0 "[ . 1 . 2]" 1
185 1 92 LEU HA 1 92 LEU MD1 . . 4.610 3.798 3.684 3.900 . 0 0 "[ . 1 . 2]" 1
186 1 55 LEU HA 1 73 LEU MD1 . . 4.520 4.177 3.911 4.569 0.049 4 0 "[ . 1 . 2]" 1
187 1 54 LYS HB3 1 73 LEU MD1 . . 4.170 3.301 2.427 4.242 0.072 18 0 "[ . 1 . 2]" 1
188 1 38 ALA MB 1 56 VAL HA . . 4.620 4.007 3.669 4.414 . 0 0 "[ . 1 . 2]" 1
189 1 53 PHE HZ 1 145 VAL MG2 . . 4.710 2.258 2.030 2.925 . 0 0 "[ . 1 . 2]" 1
190 1 12 ASP HA 1 102 VAL MG2 . . 4.570 4.214 3.859 4.604 0.034 19 0 "[ . 1 . 2]" 1
191 1 39 VAL QG 1 54 LYS HB3 . . 4.520 4.121 3.576 4.468 . 0 0 "[ . 1 . 2]" 1
192 1 106 LEU HB2 1 107 THR MG . . 3.950 3.544 2.998 3.739 . 0 0 "[ . 1 . 2]" 1
193 1 56 VAL MG2 1 58 GLU QG . . 3.670 2.596 2.161 3.094 . 0 0 "[ . 1 . 2]" 1
194 1 57 ILE MG 1 69 THR MG . . 5.170 5.153 4.809 5.291 0.121 6 0 "[ . 1 . 2]" 1
195 1 121 PRO QG 1 127 ALA MB . . 4.620 4.259 3.740 4.722 0.102 19 0 "[ . 1 . 2]" 1
196 1 91 ILE MG 1 95 ARG QD . . 4.770 3.682 2.818 4.490 . 0 0 "[ . 1 . 2]" 1
197 1 70 VAL MG2 1 105 ILE MG . . 3.930 2.299 1.962 2.684 . 0 0 "[ . 1 . 2]" 1
198 1 34 MET ME 1 61 GLU HG2 . . 4.320 3.766 2.963 4.910 0.590 8 4 "[ -. +*1 . *]" 1
199 1 6 ARG HA 1 33 ILE MG . . 4.540 3.428 2.987 3.993 . 0 0 "[ . 1 . 2]" 1
200 1 33 ILE MG 1 34 MET HA . . 4.630 3.671 3.408 3.995 . 0 0 "[ . 1 . 2]" 1
201 1 78 HIS HA 1 126 ALA MB . . 4.490 3.401 2.863 3.754 . 0 0 "[ . 1 . 2]" 1
202 1 109 ILE HA 1 109 ILE MD . . 4.530 3.945 3.864 4.011 . 0 0 "[ . 1 . 2]" 1
203 1 106 LEU HA 1 109 ILE MD . . 4.260 2.391 2.188 2.695 . 0 0 "[ . 1 . 2]" 1
204 1 106 LEU MD1 1 109 ILE MD . . 4.790 4.695 4.406 4.877 0.087 14 0 "[ . 1 . 2]" 1
205 1 91 ILE MD 1 92 LEU HG . . 4.920 3.959 3.430 4.392 . 0 0 "[ . 1 . 2]" 1
206 1 33 ILE HA 1 33 ILE MD . . 4.410 2.712 2.108 3.772 . 0 0 "[ . 1 . 2]" 1
207 1 40 ILE HA 1 40 ILE MD . . 4.530 3.881 3.768 3.960 . 0 0 "[ . 1 . 2]" 1
208 1 36 TRP HB2 1 57 ILE MD . . 4.510 4.331 4.027 4.511 0.001 14 0 "[ . 1 . 2]" 1
209 1 81 VAL MG1 1 85 GLY HA3 . . 4.640 4.589 3.911 4.747 0.107 9 0 "[ . 1 . 2]" 1
210 1 24 VAL MG2 1 106 LEU HB3 . . 4.460 2.160 2.073 2.273 . 0 0 "[ . 1 . 2]" 1
211 1 24 VAL HA 1 39 VAL QG . . 4.540 4.115 3.750 4.346 . 0 0 "[ . 1 . 2]" 1
212 1 92 LEU MD2 1 105 ILE HG12 . . 4.010 2.871 2.593 3.348 . 0 0 "[ . 1 . 2]" 1
213 1 143 ALA MB 1 144 ILE HA . . 4.510 3.887 3.729 4.132 . 0 0 "[ . 1 . 2]" 1
214 1 24 VAL MG2 1 106 LEU HA . . 4.490 4.192 4.134 4.284 . 0 0 "[ . 1 . 2]" 1
215 1 37 ASN HA 1 56 VAL MG1 . . 4.660 4.757 4.741 4.772 0.112 3 0 "[ . 1 . 2]" 1
216 1 92 LEU MD2 1 96 TRP HB2 . . 4.520 3.965 3.208 4.605 0.085 13 0 "[ . 1 . 2]" 1
217 1 43 PRO HD2 1 113 LEU MD1 . . 4.680 4.011 2.570 4.759 0.079 9 0 "[ . 1 . 2]" 1
218 1 126 ALA HA 1 129 LEU QD . . 4.560 3.229 2.739 3.747 . 0 0 "[ . 1 . 2]" 1
219 1 129 LEU QD 1 137 TYR HA . . 4.290 3.368 2.440 4.170 . 0 0 "[ . 1 . 2]" 1
220 1 55 LEU MD2 1 72 PHE HA . . 4.620 3.755 3.161 3.979 . 0 0 "[ . 1 . 2]" 1
221 1 55 LEU HA 1 55 LEU MD2 . . 4.520 3.625 3.502 3.787 . 0 0 "[ . 1 . 2]" 1
222 1 39 VAL HA 1 55 LEU MD1 . . 4.640 2.926 2.530 3.374 . 0 0 "[ . 1 . 2]" 1
223 1 136 GLU HA 1 139 LYS QB . . 3.620 2.445 2.050 2.960 . 0 0 "[ . 1 . 2]" 1
224 1 141 VAL HA 1 144 ILE MD . . 4.520 3.532 1.930 4.062 . 0 0 "[ . 1 . 2]" 1
225 1 53 PHE HZ 1 76 MET ME . . 4.510 3.552 2.928 4.580 0.070 16 0 "[ . 1 . 2]" 1
226 1 37 ASN HA 1 57 ILE MD . . 4.410 4.505 4.470 4.525 0.115 12 0 "[ . 1 . 2]" 1
227 1 70 VAL MG2 1 87 ILE MD . . 3.860 3.309 3.059 3.586 . 0 0 "[ . 1 . 2]" 1
228 1 105 ILE MG 1 106 LEU HG . . 4.850 3.473 2.649 3.804 . 0 0 "[ . 1 . 2]" 1
229 1 105 ILE MG 1 106 LEU HA . . 4.740 3.325 3.055 3.536 . 0 0 "[ . 1 . 2]" 1
230 1 12 ASP HA 1 15 ARG QB . . 4.080 2.675 2.243 3.195 . 0 0 "[ . 1 . 2]" 1
231 1 57 ILE MG 1 70 VAL HB . . 4.830 4.766 4.532 4.857 0.027 1 0 "[ . 1 . 2]" 1
232 1 57 ILE MG 1 59 PHE HA . . 4.900 4.322 3.758 4.741 . 0 0 "[ . 1 . 2]" 1
233 1 69 THR MG 1 70 VAL MG2 . . 4.680 4.419 4.211 4.754 0.074 10 0 "[ . 1 . 2]" 1
234 1 75 LYS QG 1 144 ILE MG . . 4.530 4.149 3.074 4.471 . 0 0 "[ . 1 . 2]" 1
235 1 143 ALA MB 1 144 ILE MG . . 4.670 3.923 3.146 4.492 . 0 0 "[ . 1 . 2]" 1
236 1 55 LEU HB3 1 106 LEU MD2 . . 4.360 4.286 3.930 5.006 0.646 14 1 "[ . 1 +. 2]" 1
237 1 24 VAL MG1 1 106 LEU HB3 . . 4.100 2.583 2.323 2.860 . 0 0 "[ . 1 . 2]" 1
238 1 55 LEU MD1 1 106 LEU MD2 . . 3.800 3.286 2.907 3.785 . 0 0 "[ . 1 . 2]" 1
239 1 40 ILE HB 1 55 LEU MD1 . . 4.630 2.987 2.778 3.299 . 0 0 "[ . 1 . 2]" 1
240 1 92 LEU MD1 1 105 ILE MG . . 4.330 2.734 2.170 3.295 . 0 0 "[ . 1 . 2]" 1
241 1 89 LEU HB3 1 92 LEU MD1 . . 4.530 2.603 2.274 3.079 . 0 0 "[ . 1 . 2]" 1
242 1 89 LEU MD2 1 91 ILE QG . . 4.570 2.104 1.970 2.290 . 0 0 "[ . 1 . 2]" 1
243 1 109 ILE HA 1 112 LEU MD2 . . 4.620 2.749 2.496 3.177 . 0 0 "[ . 1 . 2]" 1
244 1 16 LEU QD 1 25 SER HB3 . . 4.790 4.473 4.112 5.456 0.666 14 1 "[ . 1 +. 2]" 1
245 1 112 LEU MD1 1 113 LEU HA . . 4.750 4.558 4.224 4.844 0.094 4 0 "[ . 1 . 2]" 1
246 1 24 VAL MG1 1 107 THR HB . . 4.660 4.706 4.550 4.757 0.097 3 0 "[ . 1 . 2]" 1
247 1 70 VAL MG1 1 105 ILE MG . . 4.080 3.513 3.047 3.889 . 0 0 "[ . 1 . 2]" 1
248 1 39 VAL HB 1 106 LEU MD2 . . 4.900 4.999 4.985 5.005 0.105 9 0 "[ . 1 . 2]" 1
249 1 40 ILE HG13 1 106 LEU MD2 . . 4.800 2.626 2.442 2.995 . 0 0 "[ . 1 . 2]" 1
250 1 38 ALA MB 1 39 VAL QG . . 5.010 3.960 3.826 4.066 . 0 0 "[ . 1 . 2]" 1
251 1 39 VAL QG 1 54 LYS HB2 . . 4.670 4.050 3.034 4.559 . 0 0 "[ . 1 . 2]" 1
252 1 104 SER HB2 1 105 ILE HG13 . . 4.410 4.138 3.110 5.095 0.685 16 4 "[* .- * 1 .+ 2]" 1
253 1 76 MET HB2 1 81 VAL MG1 . . 4.520 3.297 2.309 4.011 . 0 0 "[ . 1 . 2]" 1
254 1 41 PHE HA 1 52 THR MG . . 4.780 3.698 2.589 4.871 0.091 2 0 "[ . 1 . 2]" 1
255 1 56 VAL MG1 1 70 VAL MG1 . . 4.870 4.253 4.002 4.536 . 0 0 "[ . 1 . 2]" 1
256 1 71 ARG HB3 1 73 LEU MD2 . . 3.950 3.830 3.468 4.039 0.089 18 0 "[ . 1 . 2]" 1
257 1 39 VAL QG 1 40 ILE HA . . 4.720 3.537 3.344 3.851 . 0 0 "[ . 1 . 2]" 1
258 1 5 ALA MB 1 6 ARG HA . . 4.460 3.866 3.755 4.014 . 0 0 "[ . 1 . 2]" 1
259 1 16 LEU QD 1 36 TRP HZ3 . . 3.090 2.131 2.045 2.297 . 0 0 "[ . 1 . 2]" 1
260 1 16 LEU QD 1 26 GLY HA3 . . 4.350 3.072 2.492 3.739 . 0 0 "[ . 1 . 2]" 1
261 1 22 VAL MG1 1 23 GLY HA3 . . 4.650 3.624 3.332 3.959 . 0 0 "[ . 1 . 2]" 1
262 1 22 VAL MG1 1 23 GLY HA2 . . 4.740 3.645 3.416 4.015 . 0 0 "[ . 1 . 2]" 1
263 1 24 VAL MG1 1 106 LEU HA . . 4.690 4.018 3.793 4.226 . 0 0 "[ . 1 . 2]" 1
264 1 24 VAL MG1 1 107 THR HA . . 4.560 2.870 2.754 3.022 . 0 0 "[ . 1 . 2]" 1
265 1 10 MET HA 1 33 ILE MD . . 4.630 3.625 2.991 4.403 . 0 0 "[ . 1 . 2]" 1
266 1 39 VAL HA 1 54 LYS HA . . 3.730 2.641 2.407 2.910 . 0 0 "[ . 1 . 2]" 1
267 1 24 VAL HB 1 40 ILE MD . . 4.260 4.103 3.870 4.292 0.032 2 0 "[ . 1 . 2]" 1
268 1 40 ILE MD 1 110 GLN HB3 . . 5.040 4.342 3.823 4.946 . 0 0 "[ . 1 . 2]" 1
269 1 56 VAL MG2 1 71 ARG HD2 . . 5.140 4.680 3.573 5.650 0.510 11 1 "[ . 1+ . 2]" 1
270 1 78 HIS HB2 1 81 VAL MG2 . . 4.510 3.300 2.894 3.543 . 0 0 "[ . 1 . 2]" 1
271 1 89 LEU MD2 1 109 ILE HA . . 4.530 4.198 3.929 4.459 . 0 0 "[ . 1 . 2]" 1
272 1 16 LEU QD 1 102 VAL MG2 . . 4.800 3.110 2.764 3.638 . 0 0 "[ . 1 . 2]" 1
273 1 12 ASP HB3 1 102 VAL MG2 . . 4.430 2.328 2.163 2.688 . 0 0 "[ . 1 . 2]" 1
274 1 79 PRO HB2 1 127 ALA MB . . 4.360 3.055 2.523 3.730 . 0 0 "[ . 1 . 2]" 1
275 1 121 PRO HA 1 127 ALA MB . . 4.260 3.234 2.607 3.868 . 0 0 "[ . 1 . 2]" 1
276 1 16 LEU QD 1 106 LEU MD1 . . 4.190 3.221 2.973 3.546 . 0 0 "[ . 1 . 2]" 1
277 1 109 ILE MG 1 113 LEU MD2 . . 4.990 3.345 2.663 3.933 . 0 0 "[ . 1 . 2]" 1
278 1 33 ILE HG13 1 36 TRP HE1 . . 4.280 2.875 2.213 3.472 . 0 0 "[ . 1 . 2]" 1
279 1 28 PRO QB 1 36 TRP HE1 . . 4.150 3.024 2.578 4.183 0.033 17 0 "[ . 1 . 2]" 1
280 1 33 ILE MD 1 36 TRP HE1 . . 4.960 3.278 2.243 4.509 . 0 0 "[ . 1 . 2]" 1
281 1 66 LYS H 1 96 TRP HE1 . . 4.370 4.424 4.226 4.452 0.082 20 0 "[ . 1 . 2]" 1
282 1 96 TRP HE1 1 98 PRO HA . . 3.820 3.492 2.841 3.863 0.043 18 0 "[ . 1 . 2]" 1
283 1 65 ASN HA 1 96 TRP HE1 . . 4.300 4.145 3.634 4.376 0.076 7 0 "[ . 1 . 2]" 1
284 1 96 TRP HE1 1 98 PRO HB3 . . 4.500 4.005 3.478 4.568 0.068 20 0 "[ . 1 . 2]" 1
285 1 51 GLY HA2 1 149 TRP HE1 . . 4.160 3.351 2.813 4.242 0.082 11 0 "[ . 1 . 2]" 1
286 1 145 VAL MG1 1 149 TRP HE1 . . 4.290 3.182 2.501 4.116 . 0 0 "[ . 1 . 2]" 1
287 1 80 ASN HA 1 122 ALA H . . 3.680 3.303 2.911 3.752 0.072 6 0 "[ . 1 . 2]" 1
288 1 121 PRO HA 1 122 ALA H . . 3.280 2.422 2.197 2.746 . 0 0 "[ . 1 . 2]" 1
289 1 121 PRO HB2 1 122 ALA H . . 4.480 4.367 4.135 4.505 0.025 3 0 "[ . 1 . 2]" 1
290 1 122 ALA H 1 122 ALA MB . . 3.660 2.188 2.007 2.237 . 0 0 "[ . 1 . 2]" 1
291 1 51 GLY H 1 149 TRP HE1 . . 4.780 4.844 4.786 4.873 0.093 16 0 "[ . 1 . 2]" 1
292 1 87 ILE HA 1 88 CYS H . . 3.190 2.129 1.995 2.220 . 0 0 "[ . 1 . 2]" 1
293 1 88 CYS H 1 88 CYS HB2 . . 3.690 2.674 2.304 3.664 . 0 0 "[ . 1 . 2]" 1
294 1 87 ILE HB 1 88 CYS H . . 4.500 4.298 4.093 4.498 . 0 0 "[ . 1 . 2]" 1
295 1 87 ILE MG 1 88 CYS H . . 4.040 2.824 2.506 3.268 . 0 0 "[ . 1 . 2]" 1
296 1 88 CYS H 1 88 CYS HB3 . . 3.820 3.503 2.661 3.852 0.032 15 0 "[ . 1 . 2]" 1
297 1 87 ILE HG12 1 88 CYS H . . 4.570 4.277 4.007 4.607 0.037 17 0 "[ . 1 . 2]" 1
298 1 87 ILE HG13 1 88 CYS H . . 4.630 4.647 4.625 4.697 0.067 12 0 "[ . 1 . 2]" 1
299 1 88 CYS HA 1 89 LEU H . . 3.110 2.227 2.133 2.312 . 0 0 "[ . 1 . 2]" 1
300 1 88 CYS HB3 1 89 LEU H . . 4.300 3.687 2.980 4.373 0.073 3 0 "[ . 1 . 2]" 1
301 1 89 LEU H 1 89 LEU HB2 . . 3.750 3.242 2.990 3.452 . 0 0 "[ . 1 . 2]" 1
302 1 89 LEU H 1 89 LEU HB3 . . 4.040 2.760 2.479 3.035 . 0 0 "[ . 1 . 2]" 1
303 1 89 LEU H 1 92 LEU MD1 . . 4.870 3.844 3.276 4.404 . 0 0 "[ . 1 . 2]" 1
304 1 89 LEU H 1 89 LEU MD2 . . 4.930 4.608 4.389 4.780 . 0 0 "[ . 1 . 2]" 1
305 1 89 LEU H 1 89 LEU MD1 . . 4.900 4.436 4.333 4.536 . 0 0 "[ . 1 . 2]" 1
306 1 36 TRP H 1 57 ILE H . . 3.900 2.753 2.584 2.885 . 0 0 "[ . 1 . 2]" 1
307 1 35 GLN HA 1 36 TRP H . . 3.110 2.156 2.107 2.281 . 0 0 "[ . 1 . 2]" 1
308 1 36 TRP H 1 58 GLU HA . . 4.090 3.765 3.483 4.142 0.052 15 0 "[ . 1 . 2]" 1
309 1 35 GLN HG2 1 36 TRP H . . 4.670 3.690 2.995 4.344 . 0 0 "[ . 1 . 2]" 1
310 1 35 GLN HG3 1 36 TRP H . . 4.140 3.459 2.757 3.974 . 0 0 "[ . 1 . 2]" 1
311 1 36 TRP H 1 56 VAL MG2 . . 4.770 3.025 2.596 3.259 . 0 0 "[ . 1 . 2]" 1
312 1 36 TRP H 1 57 ILE HB . . 4.120 3.368 2.952 4.162 0.042 6 0 "[ . 1 . 2]" 1
313 1 36 TRP H 1 36 TRP HD1 . . 4.580 3.285 2.936 3.668 . 0 0 "[ . 1 . 2]" 1
314 1 41 PHE H 1 41 PHE QD . . 4.400 2.611 2.013 3.680 . 0 0 "[ . 1 . 2]" 1
315 1 24 VAL HA 1 41 PHE H . . 4.200 3.790 3.270 4.268 0.068 9 0 "[ . 1 . 2]" 1
316 1 40 ILE HA 1 41 PHE H . . 3.270 2.264 2.117 2.384 . 0 0 "[ . 1 . 2]" 1
317 1 41 PHE H 1 41 PHE HB2 . . 3.960 3.287 2.261 3.921 . 0 0 "[ . 1 . 2]" 1
318 1 41 PHE H 1 41 PHE HB3 . . 3.690 3.157 2.276 3.779 0.089 12 0 "[ . 1 . 2]" 1
319 1 40 ILE HB 1 41 PHE H . . 4.270 4.000 3.762 4.313 0.043 13 0 "[ . 1 . 2]" 1
320 1 40 ILE MG 1 41 PHE H . . 4.270 2.459 2.175 2.949 . 0 0 "[ . 1 . 2]" 1
321 1 24 VAL MG1 1 41 PHE H . . 4.690 3.190 2.952 3.638 . 0 0 "[ . 1 . 2]" 1
322 1 57 ILE HA 1 58 GLU H . . 3.140 2.202 2.150 2.259 . 0 0 "[ . 1 . 2]" 1
323 1 58 GLU H 1 71 ARG QG . . 4.480 4.280 3.714 4.458 . 0 0 "[ . 1 . 2]" 1
324 1 57 ILE MD 1 58 GLU H . . 4.440 4.457 4.312 4.532 0.092 13 0 "[ . 1 . 2]" 1
325 1 57 ILE MG 1 58 GLU H . . 4.030 2.714 2.491 3.054 . 0 0 "[ . 1 . 2]" 1
326 1 58 GLU H 1 71 ARG H . . 4.420 4.490 4.466 4.515 0.095 20 0 "[ . 1 . 2]" 1
327 1 58 GLU H 1 58 GLU HB2 . . 3.770 2.453 2.283 2.627 . 0 0 "[ . 1 . 2]" 1
328 1 144 ILE MG 1 145 VAL H . . 4.910 2.750 2.016 4.045 . 0 0 "[ . 1 . 2]" 1
329 1 56 VAL MG2 1 58 GLU H . . 4.480 4.097 3.682 4.576 0.096 6 0 "[ . 1 . 2]" 1
330 1 144 ILE H 1 145 VAL H . . 3.950 2.582 2.414 2.727 . 0 0 "[ . 1 . 2]" 1
331 1 61 GLU HA 1 63 TYR H . . 4.210 3.628 3.235 4.008 . 0 0 "[ . 1 . 2]" 1
332 1 63 TYR H 1 63 TYR HB2 . . 3.570 2.956 2.406 3.352 . 0 0 "[ . 1 . 2]" 1
333 1 63 TYR H 1 63 TYR HB3 . . 3.560 2.320 2.142 2.753 . 0 0 "[ . 1 . 2]" 1
334 1 62 GLU QG 1 63 TYR H . . 4.540 4.509 4.043 4.637 0.097 11 0 "[ . 1 . 2]" 1
335 1 5 ALA MB 1 63 TYR H . . 3.940 3.284 2.203 4.045 0.105 4 0 "[ . 1 . 2]" 1
336 1 145 VAL H 1 145 VAL HB . . 3.690 2.222 2.118 2.327 . 0 0 "[ . 1 . 2]" 1
337 1 145 VAL H 1 145 VAL MG2 . . 4.090 2.328 2.216 2.573 . 0 0 "[ . 1 . 2]" 1
338 1 145 VAL H 1 145 VAL MG1 . . 4.800 3.668 3.605 3.714 . 0 0 "[ . 1 . 2]" 1
339 1 82 TYR H 1 86 SER H . . 4.520 3.287 2.554 4.270 . 0 0 "[ . 1 . 2]" 1
340 1 81 VAL HA 1 82 TYR H . . 3.370 2.174 2.023 2.343 . 0 0 "[ . 1 . 2]" 1
341 1 82 TYR H 1 86 SER QB . . 4.460 3.796 3.341 4.324 . 0 0 "[ . 1 . 2]" 1
342 1 81 VAL MG2 1 82 TYR H . . 5.080 4.056 3.937 4.183 . 0 0 "[ . 1 . 2]" 1
343 1 82 TYR H 1 82 TYR QD . . 3.910 2.964 2.658 3.330 . 0 0 "[ . 1 . 2]" 1
344 1 82 TYR H 1 82 TYR HB2 . . 4.010 2.333 2.076 2.578 . 0 0 "[ . 1 . 2]" 1
345 1 81 VAL MG1 1 82 TYR H . . 4.250 2.861 2.484 3.144 . 0 0 "[ . 1 . 2]" 1
346 1 74 SER HA 1 75 LYS H . . 3.370 2.304 2.230 2.388 . 0 0 "[ . 1 . 2]" 1
347 1 75 LYS H 1 75 LYS HB3 . . 3.480 2.600 2.105 3.427 . 0 0 "[ . 1 . 2]" 1
348 1 134 LYS H 1 135 ARG H . . 4.510 2.796 2.598 3.063 . 0 0 "[ . 1 . 2]" 1
349 1 43 PRO HA 1 44 GLU H . . 3.110 2.371 2.041 2.585 . 0 0 "[ . 1 . 2]" 1
350 1 43 PRO HB3 1 44 GLU H . . 3.650 3.612 3.474 3.708 0.058 13 0 "[ . 1 . 2]" 1
351 1 44 GLU H 1 44 GLU QB . . 3.120 2.296 1.942 2.644 . 0 0 "[ . 1 . 2]" 1
352 1 82 TYR H 1 122 ALA MB . . 4.770 4.441 3.827 4.854 0.084 12 0 "[ . 1 . 2]" 1
353 1 75 LYS H 1 75 LYS QG . . 4.120 3.667 3.020 3.873 . 0 0 "[ . 1 . 2]" 1
354 1 134 LYS H 1 134 LYS QB . . 3.520 2.136 2.022 2.272 . 0 0 "[ . 1 . 2]" 1
355 1 37 ASN HA 1 57 ILE H . . 4.140 3.546 3.241 3.949 . 0 0 "[ . 1 . 2]" 1
356 1 56 VAL HA 1 57 ILE H . . 3.110 2.287 2.227 2.362 . 0 0 "[ . 1 . 2]" 1
357 1 56 VAL HB 1 57 ILE H . . 4.160 4.031 3.897 4.179 0.019 6 0 "[ . 1 . 2]" 1
358 1 57 ILE H 1 57 ILE HB . . 3.670 2.900 2.811 3.014 . 0 0 "[ . 1 . 2]" 1
359 1 57 ILE H 1 57 ILE MD . . 4.440 3.127 2.986 3.309 . 0 0 "[ . 1 . 2]" 1
360 1 77 PHE H 1 144 ILE MD . . 4.770 2.162 1.689 2.592 . 0 0 "[ . 1 . 2]" 1
361 1 76 MET HB3 1 77 PHE H . . 4.350 3.751 2.990 4.320 . 0 0 "[ . 1 . 2]" 1
362 1 77 PHE H 1 144 ILE MG . . 4.810 3.257 2.095 3.823 . 0 0 "[ . 1 . 2]" 1
363 1 72 PHE QD 1 73 LEU H . . 4.530 3.715 3.352 4.099 . 0 0 "[ . 1 . 2]" 1
364 1 55 LEU HG 1 73 LEU H . . 4.550 3.812 3.235 4.266 . 0 0 "[ . 1 . 2]" 1
365 1 55 LEU HA 1 73 LEU H . . 3.750 2.409 2.054 2.653 . 0 0 "[ . 1 . 2]" 1
366 1 72 PHE HA 1 73 LEU H . . 3.510 2.136 2.070 2.190 . 0 0 "[ . 1 . 2]" 1
367 1 72 PHE HB3 1 73 LEU H . . 4.560 3.566 3.079 3.807 . 0 0 "[ . 1 . 2]" 1
368 1 73 LEU H 1 73 LEU HG . . 3.990 2.657 2.349 2.987 . 0 0 "[ . 1 . 2]" 1
369 1 56 VAL MG1 1 73 LEU H . . 4.700 3.881 3.508 4.238 . 0 0 "[ . 1 . 2]" 1
370 1 63 TYR HA 1 65 ASN H . . 3.780 2.754 2.301 3.186 . 0 0 "[ . 1 . 2]" 1
371 1 65 ASN H 1 65 ASN HB2 . . 3.500 2.283 2.037 2.586 . 0 0 "[ . 1 . 2]" 1
372 1 65 ASN H 1 65 ASN HB3 . . 3.760 3.138 2.574 3.655 . 0 0 "[ . 1 . 2]" 1
373 1 58 GLU HA 1 59 PHE H . . 3.230 2.117 2.007 2.235 . 0 0 "[ . 1 . 2]" 1
374 1 59 PHE H 1 59 PHE HB2 . . 3.960 2.449 2.358 2.606 . 0 0 "[ . 1 . 2]" 1
375 1 34 MET HB3 1 59 PHE H . . 4.330 3.785 3.245 4.398 0.068 15 0 "[ . 1 . 2]" 1
376 1 59 PHE H 1 59 PHE QD . . 4.100 2.962 2.127 3.403 . 0 0 "[ . 1 . 2]" 1
377 1 58 GLU HB3 1 59 PHE H . . 4.170 3.572 3.200 4.023 . 0 0 "[ . 1 . 2]" 1
378 1 35 GLN HA 1 59 PHE H . . 4.320 3.580 3.250 4.151 . 0 0 "[ . 1 . 2]" 1
379 1 69 THR HA 1 70 VAL H . . 3.010 2.301 2.192 2.391 . 0 0 "[ . 1 . 2]" 1
380 1 104 SER HB2 1 105 ILE H . . 3.860 3.150 2.285 3.825 . 0 0 "[ . 1 . 2]" 1
381 1 105 ILE H 1 105 ILE HB . . 3.530 2.498 2.286 2.698 . 0 0 "[ . 1 . 2]" 1
382 1 105 ILE H 1 105 ILE HG12 . . 3.870 3.508 3.031 3.799 . 0 0 "[ . 1 . 2]" 1
383 1 105 ILE H 1 105 ILE MG . . 4.430 3.796 3.731 3.844 . 0 0 "[ . 1 . 2]" 1
384 1 105 ILE H 1 107 THR H . . 4.470 4.315 4.108 4.497 0.027 19 0 "[ . 1 . 2]" 1
385 1 70 VAL H 1 70 VAL HB . . 3.640 2.743 2.575 2.864 . 0 0 "[ . 1 . 2]" 1
386 1 69 THR MG 1 70 VAL H . . 4.100 2.624 2.196 3.249 . 0 0 "[ . 1 . 2]" 1
387 1 47 PRO HA 1 49 GLU H . . 4.400 3.721 3.496 3.849 . 0 0 "[ . 1 . 2]" 1
388 1 71 ARG H 1 71 ARG HB3 . . 3.750 3.823 3.797 3.837 0.087 17 0 "[ . 1 . 2]" 1
389 1 70 VAL H 1 70 VAL MG2 . . 3.760 2.761 2.380 2.997 . 0 0 "[ . 1 . 2]" 1
390 1 48 PHE HB2 1 49 GLU H . . 4.600 3.705 3.425 3.963 . 0 0 "[ . 1 . 2]" 1
391 1 49 GLU H 1 49 GLU HB2 . . 3.490 3.533 3.439 3.566 0.076 7 0 "[ . 1 . 2]" 1
392 1 49 GLU H 1 49 GLU HG2 . . 4.100 2.592 2.029 3.035 . 0 0 "[ . 1 . 2]" 1
393 1 49 GLU H 1 49 GLU HB3 . . 3.460 2.436 2.236 2.615 . 0 0 "[ . 1 . 2]" 1
394 1 40 ILE H 1 53 PHE H . . 4.090 2.816 2.559 3.145 . 0 0 "[ . 1 . 2]" 1
395 1 53 PHE H 1 53 PHE QD . . 4.130 2.707 2.092 3.058 . 0 0 "[ . 1 . 2]" 1
396 1 52 THR HB 1 53 PHE H . . 4.460 3.396 2.474 4.293 . 0 0 "[ . 1 . 2]" 1
397 1 53 PHE H 1 53 PHE QB . . 3.900 2.587 2.400 2.750 . 0 0 "[ . 1 . 2]" 1
398 1 52 THR MG 1 53 PHE H . . 4.480 3.793 2.376 4.418 . 0 0 "[ . 1 . 2]" 1
399 1 39 VAL QG 1 53 PHE H . . 4.560 3.158 2.751 3.750 . 0 0 "[ . 1 . 2]" 1
400 1 71 ARG H 1 71 ARG QG . . 4.240 2.739 2.522 3.019 . 0 0 "[ . 1 . 2]" 1
401 1 11 ARG H 1 11 ARG QD . . 4.500 4.109 3.332 4.562 0.062 7 0 "[ . 1 . 2]" 1
402 1 11 ARG H 1 11 ARG HG3 . . 4.680 3.222 2.070 4.534 . 0 0 "[ . 1 . 2]" 1
403 1 100 TYR H 1 100 TYR QE . . 4.110 4.165 3.933 4.207 0.097 3 0 "[ . 1 . 2]" 1
404 1 100 TYR H 1 100 TYR HB2 . . 3.960 2.426 2.183 2.708 . 0 0 "[ . 1 . 2]" 1
405 1 100 TYR H 1 100 TYR HB3 . . 3.510 3.512 3.453 3.555 0.045 9 0 "[ . 1 . 2]" 1
406 1 55 LEU H 1 55 LEU MD1 . . 4.520 2.848 2.591 3.109 . 0 0 "[ . 1 . 2]" 1
407 1 55 LEU H 1 56 VAL H . . 4.520 4.358 4.302 4.477 . 0 0 "[ . 1 . 2]" 1
408 1 54 LYS HA 1 55 LEU H . . 3.160 2.132 1.987 2.218 . 0 0 "[ . 1 . 2]" 1
409 1 54 LYS HB3 1 55 LEU H . . 4.170 3.230 2.518 4.211 0.041 20 0 "[ . 1 . 2]" 1
410 1 54 LYS HB2 1 55 LEU H . . 4.410 4.141 3.730 4.469 0.059 18 0 "[ . 1 . 2]" 1
411 1 54 LYS QD 1 55 LEU H . . 4.710 4.380 2.482 4.822 0.112 7 0 "[ . 1 . 2]" 1
412 1 54 LYS HG2 1 55 LEU H . . 4.730 3.712 2.275 4.767 0.037 6 0 "[ . 1 . 2]" 1
413 1 54 LYS HG3 1 55 LEU H . . 4.700 3.867 2.738 4.787 0.087 13 0 "[ . 1 . 2]" 1
414 1 38 ALA MB 1 55 LEU H . . 4.930 3.814 3.634 4.493 . 0 0 "[ . 1 . 2]" 1
415 1 39 VAL QG 1 55 LEU H . . 5.030 3.641 3.253 4.050 . 0 0 "[ . 1 . 2]" 1
416 1 38 ALA H 1 57 ILE HG12 . . 4.680 4.596 4.176 4.747 0.067 9 0 "[ . 1 . 2]" 1
417 1 38 ALA H 1 55 LEU MD1 . . 5.020 4.681 4.456 4.936 . 0 0 "[ . 1 . 2]" 1
418 1 38 ALA H 1 55 LEU H . . 3.580 2.950 2.738 3.188 . 0 0 "[ . 1 . 2]" 1
419 1 37 ASN HA 1 38 ALA H . . 2.890 2.197 2.068 2.290 . 0 0 "[ . 1 . 2]" 1
420 1 38 ALA H 1 56 VAL HA . . 3.760 3.126 2.970 3.248 . 0 0 "[ . 1 . 2]" 1
421 1 37 ASN HB3 1 38 ALA H . . 4.160 3.044 2.687 3.293 . 0 0 "[ . 1 . 2]" 1
422 1 38 ALA H 1 55 LEU HB3 . . 4.210 4.324 4.070 4.392 0.182 9 0 "[ . 1 . 2]" 1
423 1 38 ALA H 1 55 LEU HB2 . . 4.330 3.395 3.205 3.593 . 0 0 "[ . 1 . 2]" 1
424 1 38 ALA H 1 56 VAL MG2 . . 5.040 5.060 4.831 5.139 0.099 1 0 "[ . 1 . 2]" 1
425 1 38 ALA H 1 39 VAL QG . . 4.830 4.053 3.802 4.451 . 0 0 "[ . 1 . 2]" 1
426 1 78 HIS H 1 126 ALA MB . . 4.630 3.464 3.046 3.779 . 0 0 "[ . 1 . 2]" 1
427 1 89 LEU MD2 1 109 ILE H . . 4.320 4.344 4.141 4.424 0.104 9 0 "[ . 1 . 2]" 1
428 1 108 SER HB2 1 109 ILE H . . 4.110 2.985 2.476 3.875 . 0 0 "[ . 1 . 2]" 1
429 1 106 LEU HA 1 109 ILE H . . 4.230 3.430 3.221 3.643 . 0 0 "[ . 1 . 2]" 1
430 1 109 ILE H 1 109 ILE HG12 . . 3.760 3.388 3.021 3.569 . 0 0 "[ . 1 . 2]" 1
431 1 109 ILE H 1 109 ILE HB . . 3.450 2.617 2.505 2.799 . 0 0 "[ . 1 . 2]" 1
432 1 109 ILE H 1 109 ILE HG13 . . 3.660 1.997 1.873 2.118 . 0 0 "[ . 1 . 2]" 1
433 1 10 MET H 1 11 ARG H . . 3.780 2.746 2.570 2.980 . 0 0 "[ . 1 . 2]" 1
434 1 11 ARG H 1 11 ARG QB . . 3.170 2.454 1.925 2.929 . 0 0 "[ . 1 . 2]" 1
435 1 11 ARG H 1 11 ARG HG2 . . 3.850 3.449 2.469 4.556 0.706 11 4 "[ *. 1+ * -2]" 1
436 1 10 MET H 1 12 ASP H . . 4.500 4.277 4.019 4.574 0.074 15 0 "[ . 1 . 2]" 1
437 1 11 ARG HG3 1 12 ASP H . . 4.530 3.706 2.342 4.605 0.075 9 0 "[ . 1 . 2]" 1
438 1 11 ARG HG2 1 12 ASP H . . 4.360 4.238 2.687 4.545 0.185 14 0 "[ . 1 . 2]" 1
439 1 37 ASN HA 1 55 LEU H . . 4.690 4.689 4.498 4.758 0.068 14 0 "[ . 1 . 2]" 1
440 1 77 PHE HA 1 78 HIS H . . 3.340 2.251 2.164 2.376 . 0 0 "[ . 1 . 2]" 1
441 1 78 HIS H 1 81 VAL HB . . 4.380 2.900 2.547 3.375 . 0 0 "[ . 1 . 2]" 1
442 1 111 SER QB 1 112 LEU H . . 3.790 2.901 2.643 3.180 . 0 0 "[ . 1 . 2]" 1
443 1 109 ILE HA 1 112 LEU H . . 3.980 3.238 2.947 3.479 . 0 0 "[ . 1 . 2]" 1
444 1 112 LEU H 1 112 LEU HB3 . . 3.280 2.298 2.133 2.568 . 0 0 "[ . 1 . 2]" 1
445 1 112 LEU H 1 112 LEU MD2 . . 4.530 4.123 3.986 4.256 . 0 0 "[ . 1 . 2]" 1
446 1 112 LEU H 1 112 LEU MD1 . . 4.510 4.256 4.080 4.414 . 0 0 "[ . 1 . 2]" 1
447 1 12 ASP H 1 13 PHE H . . 3.950 2.803 2.676 2.932 . 0 0 "[ . 1 . 2]" 1
448 1 11 ARG H 1 12 ASP H . . 3.580 2.595 2.371 2.827 . 0 0 "[ . 1 . 2]" 1
449 1 12 ASP H 1 12 ASP HB2 . . 3.720 2.265 2.041 2.429 . 0 0 "[ . 1 . 2]" 1
450 1 12 ASP H 1 12 ASP HB3 . . 4.020 3.493 3.106 3.630 . 0 0 "[ . 1 . 2]" 1
451 1 11 ARG QB 1 12 ASP H . . 3.510 2.857 2.221 3.609 0.099 13 0 "[ . 1 . 2]" 1
452 1 53 PHE HA 1 54 LYS H . . 3.600 2.292 2.166 2.439 . 0 0 "[ . 1 . 2]" 1
453 1 54 LYS H 1 54 LYS HB2 . . 4.010 2.503 2.253 2.969 . 0 0 "[ . 1 . 2]" 1
454 1 54 LYS H 1 54 LYS HG2 . . 4.230 4.425 4.064 4.729 0.499 1 0 "[ . 1 . 2]" 1
455 1 54 LYS H 1 54 LYS HG3 . . 4.680 3.895 3.163 4.326 . 0 0 "[ . 1 . 2]" 1
456 1 53 PHE QB 1 54 LYS H . . 4.600 3.042 2.590 3.653 . 0 0 "[ . 1 . 2]" 1
457 1 40 ILE H 1 40 ILE HG13 . . 4.390 3.064 2.942 3.174 . 0 0 "[ . 1 . 2]" 1
458 1 40 ILE H 1 40 ILE HG12 . . 4.330 4.014 3.787 4.207 . 0 0 "[ . 1 . 2]" 1
459 1 40 ILE H 1 55 LEU MD1 . . 4.670 3.124 2.958 3.343 . 0 0 "[ . 1 . 2]" 1
460 1 39 VAL HA 1 40 ILE H . . 3.130 2.281 2.221 2.328 . 0 0 "[ . 1 . 2]" 1
461 1 40 ILE H 1 40 ILE HB . . 3.780 2.757 2.684 2.862 . 0 0 "[ . 1 . 2]" 1
462 1 40 ILE H 1 40 ILE MG . . 4.670 3.928 3.888 3.976 . 0 0 "[ . 1 . 2]" 1
463 1 40 ILE H 1 40 ILE MD . . 4.200 4.277 4.232 4.300 0.100 12 0 "[ . 1 . 2]" 1
464 1 39 VAL QG 1 40 ILE H . . 3.970 2.426 2.306 2.653 . 0 0 "[ . 1 . 2]" 1
465 1 149 TRP H 1 149 TRP HB2 . . 4.050 2.672 2.553 2.853 . 0 0 "[ . 1 . 2]" 1
466 1 142 SER QB 1 143 ALA H . . 3.550 2.492 2.296 2.748 . 0 0 "[ . 1 . 2]" 1
467 1 143 ALA H 1 143 ALA MB . . 3.440 2.210 2.169 2.263 . 0 0 "[ . 1 . 2]" 1
468 1 72 PHE H 1 85 GLY HA3 . . 4.440 2.541 1.846 3.007 . 0 0 "[ . 1 . 2]" 1
469 1 72 PHE H 1 81 VAL MG1 . . 4.850 4.631 4.256 4.913 0.063 11 0 "[ . 1 . 2]" 1
470 1 72 PHE H 1 72 PHE QD . . 4.110 3.163 2.670 3.633 . 0 0 "[ . 1 . 2]" 1
471 1 71 ARG HA 1 72 PHE H . . 3.220 2.246 2.052 2.454 . 0 0 "[ . 1 . 2]" 1
472 1 72 PHE H 1 86 SER HA . . 4.010 3.921 3.395 4.091 0.081 17 0 "[ . 1 . 2]" 1
473 1 72 PHE H 1 72 PHE HB3 . . 3.850 3.526 3.435 3.651 . 0 0 "[ . 1 . 2]" 1
474 1 72 PHE H 1 72 PHE HB2 . . 3.660 2.283 2.125 2.477 . 0 0 "[ . 1 . 2]" 1
475 1 71 ARG HB2 1 72 PHE H . . 4.140 3.758 3.116 4.206 0.066 12 0 "[ . 1 . 2]" 1
476 1 71 ARG HB3 1 72 PHE H . . 4.840 2.879 2.395 3.509 . 0 0 "[ . 1 . 2]" 1
477 1 71 ARG QG 1 72 PHE H . . 5.140 4.246 3.835 4.727 . 0 0 "[ . 1 . 2]" 1
478 1 96 TRP H 1 96 TRP HB3 . . 3.460 2.544 2.328 2.749 . 0 0 "[ . 1 . 2]" 1
479 1 96 TRP H 1 96 TRP HB2 . . 3.370 2.503 2.332 2.686 . 0 0 "[ . 1 . 2]" 1
480 1 91 ILE HA 1 96 TRP H . . 4.420 3.712 3.345 4.490 0.070 14 0 "[ . 1 . 2]" 1
481 1 38 ALA HA 1 39 VAL H . . 3.190 2.377 2.319 2.417 . 0 0 "[ . 1 . 2]" 1
482 1 38 ALA MB 1 39 VAL H . . 3.650 2.437 2.358 2.535 . 0 0 "[ . 1 . 2]" 1
483 1 26 GLY HA2 1 39 VAL H . . 4.260 3.579 3.425 3.758 . 0 0 "[ . 1 . 2]" 1
484 1 39 VAL H 1 39 VAL HB . . 3.560 2.671 2.480 2.893 . 0 0 "[ . 1 . 2]" 1
485 1 39 VAL H 1 39 VAL QG . . 4.040 2.860 2.547 3.060 . 0 0 "[ . 1 . 2]" 1
486 1 39 VAL H 1 106 LEU MD2 . . 4.340 3.039 2.937 3.227 . 0 0 "[ . 1 . 2]" 1
487 1 21 PRO HB2 1 22 VAL H . . 3.960 2.496 2.190 3.329 . 0 0 "[ . 1 . 2]" 1
488 1 21 PRO HB3 1 22 VAL H . . 3.750 3.522 3.362 3.815 0.065 13 0 "[ . 1 . 2]" 1
489 1 22 VAL H 1 22 VAL HB . . 3.020 2.609 2.305 2.919 . 0 0 "[ . 1 . 2]" 1
490 1 22 VAL H 1 22 VAL MG2 . . 3.480 2.550 2.374 2.940 . 0 0 "[ . 1 . 2]" 1
491 1 8 ARG H 1 9 LEU H . . 3.970 2.827 2.498 3.004 . 0 0 "[ . 1 . 2]" 1
492 1 5 ALA HA 1 8 ARG H . . 3.710 3.414 3.224 3.766 0.056 5 0 "[ . 1 . 2]" 1
493 1 8 ARG H 1 8 ARG QB . . 3.390 2.246 2.024 2.572 . 0 0 "[ . 1 . 2]" 1
494 1 7 ARG QB 1 8 ARG H . . 3.820 2.749 2.494 3.194 . 0 0 "[ . 1 . 2]" 1
495 1 4 PRO HB3 1 5 ALA H . . 4.380 4.168 3.951 4.369 . 0 0 "[ . 1 . 2]" 1
496 1 151 ASP QB 1 152 SER H . . 4.250 3.440 2.609 4.052 . 0 0 "[ . 1 . 2]" 1
497 1 13 PHE H 1 14 LYS H . . 3.900 2.929 2.745 3.027 . 0 0 "[ . 1 . 2]" 1
498 1 13 PHE H 1 13 PHE QD . . 4.590 4.143 4.077 4.189 . 0 0 "[ . 1 . 2]" 1
499 1 13 PHE H 1 13 PHE HB2 . . 3.850 2.477 2.410 2.559 . 0 0 "[ . 1 . 2]" 1
500 1 13 PHE H 1 13 PHE HB3 . . 3.700 2.424 2.268 2.556 . 0 0 "[ . 1 . 2]" 1
501 1 5 ALA H 1 6 ARG H . . 4.150 3.018 2.712 3.310 . 0 0 "[ . 1 . 2]" 1
502 1 4 PRO HB2 1 5 ALA H . . 4.050 3.269 2.675 3.826 . 0 0 "[ . 1 . 2]" 1
503 1 5 ALA H 1 5 ALA MB . . 3.650 2.188 1.998 2.289 . 0 0 "[ . 1 . 2]" 1
504 1 9 LEU H 1 10 MET H . . 3.650 2.928 2.794 3.063 . 0 0 "[ . 1 . 2]" 1
505 1 6 ARG HA 1 9 LEU H . . 4.490 3.560 3.303 3.806 . 0 0 "[ . 1 . 2]" 1
506 1 9 LEU H 1 9 LEU HB2 . . 3.720 2.374 2.270 2.480 . 0 0 "[ . 1 . 2]" 1
507 1 9 LEU H 1 9 LEU HG . . 3.940 2.512 2.267 3.083 . 0 0 "[ . 1 . 2]" 1
508 1 9 LEU H 1 9 LEU MD2 . . 4.620 3.775 3.515 4.082 . 0 0 "[ . 1 . 2]" 1
509 1 9 LEU H 1 9 LEU HB3 . . 4.080 3.586 3.538 3.618 . 0 0 "[ . 1 . 2]" 1
510 1 9 LEU H 1 9 LEU MD1 . . 4.670 3.463 3.128 3.936 . 0 0 "[ . 1 . 2]" 1
511 1 138 GLU H 1 139 LYS H . . 3.700 2.881 2.680 3.026 . 0 0 "[ . 1 . 2]" 1
512 1 136 GLU HA 1 139 LYS H . . 3.680 3.166 2.876 3.420 . 0 0 "[ . 1 . 2]" 1
513 1 138 GLU HB2 1 139 LYS H . . 3.790 2.749 2.284 3.210 . 0 0 "[ . 1 . 2]" 1
514 1 139 LYS H 1 139 LYS QB . . 2.990 2.309 2.000 2.649 . 0 0 "[ . 1 . 2]" 1
515 1 139 LYS H 1 139 LYS HG2 . . 4.910 3.890 2.415 4.562 . 0 0 "[ . 1 . 2]" 1
516 1 139 LYS H 1 139 LYS HG3 . . 4.180 3.639 2.273 4.615 0.435 9 0 "[ . 1 . 2]" 1
517 1 13 PHE H 1 36 TRP HH2 . . 4.540 3.420 3.249 3.756 . 0 0 "[ . 1 . 2]" 1
518 1 75 LYS HA 1 76 MET H . . 3.040 2.208 2.142 2.347 . 0 0 "[ . 1 . 2]" 1
519 1 76 MET H 1 76 MET HB3 . . 3.720 3.122 2.565 3.758 0.038 17 0 "[ . 1 . 2]" 1
520 1 76 MET H 1 76 MET HB2 . . 4.050 2.784 2.516 3.029 . 0 0 "[ . 1 . 2]" 1
521 1 129 LEU QD 1 137 TYR H . . 4.630 3.852 2.872 4.387 . 0 0 "[ . 1 . 2]" 1
522 1 137 TYR H 1 138 GLU H . . 3.780 2.861 2.675 3.108 . 0 0 "[ . 1 . 2]" 1
523 1 137 TYR H 1 137 TYR QD . . 4.270 4.015 3.720 4.158 . 0 0 "[ . 1 . 2]" 1
524 1 137 TYR H 1 137 TYR HB3 . . 3.630 2.812 2.674 2.943 . 0 0 "[ . 1 . 2]" 1
525 1 137 TYR H 1 137 TYR HB2 . . 3.660 2.172 2.014 2.296 . 0 0 "[ . 1 . 2]" 1
526 1 136 GLU QG 1 137 TYR H . . 4.670 2.852 2.167 4.153 . 0 0 "[ . 1 . 2]" 1
527 1 136 GLU QB 1 137 TYR H . . 3.690 3.312 2.575 3.693 0.003 3 0 "[ . 1 . 2]" 1
528 1 129 LEU HB3 1 137 TYR H . . 4.200 3.868 3.234 4.255 0.055 20 0 "[ . 1 . 2]" 1
529 1 13 PHE HB2 1 14 LYS H . . 4.240 3.870 3.782 3.981 . 0 0 "[ . 1 . 2]" 1
530 1 13 PHE HB3 1 14 LYS H . . 4.050 2.484 2.368 2.615 . 0 0 "[ . 1 . 2]" 1
531 1 14 LYS H 1 14 LYS QB . . 3.120 2.252 2.145 2.449 . 0 0 "[ . 1 . 2]" 1
532 1 78 HIS HB3 1 81 VAL H . . 4.290 3.446 2.703 3.920 . 0 0 "[ . 1 . 2]" 1
533 1 81 VAL H 1 81 VAL HB . . 3.640 2.572 2.288 2.911 . 0 0 "[ . 1 . 2]" 1
534 1 81 VAL H 1 81 VAL MG1 . . 4.630 3.808 3.686 3.923 . 0 0 "[ . 1 . 2]" 1
535 1 80 ASN H 1 81 VAL H . . 3.590 2.553 1.949 2.973 . 0 0 "[ . 1 . 2]" 1
536 1 81 VAL H 1 81 VAL MG2 . . 3.970 2.780 2.279 3.215 . 0 0 "[ . 1 . 2]" 1
537 1 81 VAL H 1 122 ALA MB . . 4.250 3.556 2.635 4.118 . 0 0 "[ . 1 . 2]" 1
538 1 137 TYR QD 1 141 VAL H . . 4.730 4.409 3.972 4.749 0.019 17 0 "[ . 1 . 2]" 1
539 1 137 TYR HA 1 141 VAL H . . 4.270 4.221 4.061 4.335 0.065 2 0 "[ . 1 . 2]" 1
540 1 141 VAL H 1 141 VAL HB . . 3.310 2.574 2.483 2.723 . 0 0 "[ . 1 . 2]" 1
541 1 140 ARG QG 1 141 VAL H . . 4.640 4.506 4.217 4.715 0.075 6 0 "[ . 1 . 2]" 1
542 1 140 ARG HB2 1 141 VAL H . . 4.340 2.934 2.735 3.135 . 0 0 "[ . 1 . 2]" 1
543 1 141 VAL H 1 141 VAL MG2 . . 3.670 2.330 2.194 2.450 . 0 0 "[ . 1 . 2]" 1
544 1 141 VAL H 1 141 VAL MG1 . . 4.620 3.808 3.769 3.873 . 0 0 "[ . 1 . 2]" 1
545 1 136 GLU H 1 137 TYR H . . 3.390 2.493 2.265 2.804 . 0 0 "[ . 1 . 2]" 1
546 1 126 ALA H 1 128 GLN QB . . 4.540 4.582 4.346 4.645 0.105 17 0 "[ . 1 . 2]" 1
547 1 123 ASN QB 1 126 ALA H . . 4.510 3.495 3.141 3.834 . 0 0 "[ . 1 . 2]" 1
548 1 125 GLN QB 1 126 ALA H . . 3.590 2.595 2.399 2.812 . 0 0 "[ . 1 . 2]" 1
549 1 126 ALA H 1 126 ALA MB . . 3.630 2.190 2.091 2.246 . 0 0 "[ . 1 . 2]" 1
550 1 71 ARG HA 1 87 ILE H . . 4.240 4.113 3.487 4.325 0.085 2 0 "[ . 1 . 2]" 1
551 1 86 SER QB 1 87 ILE H . . 4.320 3.189 2.670 3.772 . 0 0 "[ . 1 . 2]" 1
552 1 87 ILE H 1 87 ILE HG12 . . 3.980 4.266 4.064 4.297 0.317 2 0 "[ . 1 . 2]" 1
553 1 87 ILE H 1 87 ILE HB . . 3.570 2.380 2.179 2.606 . 0 0 "[ . 1 . 2]" 1
554 1 87 ILE H 1 87 ILE HG13 . . 4.210 3.090 2.838 3.221 . 0 0 "[ . 1 . 2]" 1
555 1 87 ILE H 1 87 ILE MG . . 4.700 3.710 3.606 3.837 . 0 0 "[ . 1 . 2]" 1
556 1 87 ILE H 1 87 ILE MD . . 4.620 3.682 3.448 4.018 . 0 0 "[ . 1 . 2]" 1
557 1 107 THR H 1 108 SER H . . 3.540 2.660 2.574 2.772 . 0 0 "[ . 1 . 2]" 1
558 1 108 SER H 1 108 SER HB2 . . 3.400 2.473 2.129 2.681 . 0 0 "[ . 1 . 2]" 1
559 1 24 VAL MG2 1 108 SER H . . 5.010 5.106 5.087 5.117 0.107 14 0 "[ . 1 . 2]" 1
560 1 108 SER H 1 108 SER HB3 . . 3.760 3.382 2.630 3.713 . 0 0 "[ . 1 . 2]" 1
561 1 107 THR MG 1 108 SER H . . 4.490 4.143 3.986 4.259 . 0 0 "[ . 1 . 2]" 1
562 1 140 ARG H 1 142 SER H . . 4.460 4.356 4.176 4.511 0.051 2 0 "[ . 1 . 2]" 1
563 1 140 ARG H 1 141 VAL H . . 3.510 2.713 2.456 2.920 . 0 0 "[ . 1 . 2]" 1
564 1 139 LYS QB 1 140 ARG H . . 3.390 2.694 2.369 3.114 . 0 0 "[ . 1 . 2]" 1
565 1 139 LYS QD 1 140 ARG H . . 4.670 4.603 3.567 4.769 0.099 16 0 "[ . 1 . 2]" 1
566 1 136 GLU HA 1 140 ARG H . . 4.480 4.043 3.674 4.429 . 0 0 "[ . 1 . 2]" 1
567 1 140 ARG H 1 140 ARG HB3 . . 3.430 3.508 3.468 3.518 0.088 10 0 "[ . 1 . 2]" 1
568 1 140 ARG H 1 140 ARG QG . . 3.600 3.165 2.507 3.686 0.086 6 0 "[ . 1 . 2]" 1
569 1 140 ARG H 1 140 ARG HB2 . . 3.940 2.254 2.198 2.350 . 0 0 "[ . 1 . 2]" 1
570 1 140 ARG H 1 141 VAL MG2 . . 4.820 4.363 4.071 4.496 . 0 0 "[ . 1 . 2]" 1
571 1 136 GLU H 1 136 GLU QG . . 4.390 3.064 2.407 3.992 . 0 0 "[ . 1 . 2]" 1
572 1 136 GLU H 1 136 GLU QB . . 3.160 2.333 2.014 2.694 . 0 0 "[ . 1 . 2]" 1
573 1 135 ARG QG 1 136 GLU H . . 4.290 4.151 2.992 4.388 0.098 3 0 "[ . 1 . 2]" 1
574 1 132 GLU H 1 133 ASN H . . 3.370 2.954 2.746 3.129 . 0 0 "[ . 1 . 2]" 1
575 1 131 GLN H 1 133 ASN H . . 4.710 4.602 4.366 4.786 0.076 12 0 "[ . 1 . 2]" 1
576 1 129 LEU HA 1 133 ASN H . . 3.840 2.320 2.100 2.724 . 0 0 "[ . 1 . 2]" 1
577 1 133 ASN H 1 133 ASN HB3 . . 4.110 3.471 2.584 3.741 . 0 0 "[ . 1 . 2]" 1
578 1 133 ASN H 1 133 ASN HB2 . . 4.170 2.477 2.255 2.871 . 0 0 "[ . 1 . 2]" 1
579 1 132 GLU HB3 1 133 ASN H . . 3.950 2.651 2.159 2.991 . 0 0 "[ . 1 . 2]" 1
580 1 129 LEU QD 1 133 ASN H . . 4.930 3.256 3.023 3.481 . 0 0 "[ . 1 . 2]" 1
581 1 34 MET H 1 35 GLN H . . 3.480 2.361 2.159 2.587 . 0 0 "[ . 1 . 2]" 1
582 1 34 MET HB2 1 35 GLN H . . 4.140 3.139 2.658 3.556 . 0 0 "[ . 1 . 2]" 1
583 1 34 MET HB3 1 35 GLN H . . 3.580 3.634 3.432 3.666 0.086 15 0 "[ . 1 . 2]" 1
584 1 16 LEU H 1 16 LEU QD . . 4.330 3.750 3.651 3.815 . 0 0 "[ . 1 . 2]" 1
585 1 145 VAL MG2 1 146 GLU H . . 5.040 4.033 3.920 4.145 . 0 0 "[ . 1 . 2]" 1
586 1 108 SER HA 1 110 GLN H . . 4.780 4.436 4.267 4.612 . 0 0 "[ . 1 . 2]" 1
587 1 15 ARG H 1 16 LEU H . . 3.560 2.720 2.502 2.931 . 0 0 "[ . 1 . 2]" 1
588 1 16 LEU H 1 16 LEU HB3 . . 3.480 2.403 2.311 2.583 . 0 0 "[ . 1 . 2]" 1
589 1 16 LEU H 1 16 LEU HB2 . . 3.240 2.538 2.378 2.697 . 0 0 "[ . 1 . 2]" 1
590 1 145 VAL MG1 1 146 GLU H . . 4.620 3.235 2.854 3.555 . 0 0 "[ . 1 . 2]" 1
591 1 145 VAL H 1 146 GLU H . . 4.060 2.644 2.391 2.892 . 0 0 "[ . 1 . 2]" 1
592 1 145 VAL HB 1 146 GLU H . . 3.440 2.681 2.421 2.891 . 0 0 "[ . 1 . 2]" 1
593 1 146 GLU H 1 146 GLU QG . . 4.380 3.937 3.691 4.038 . 0 0 "[ . 1 . 2]" 1
594 1 146 GLU H 1 146 GLU HB3 . . 3.320 2.247 2.063 2.481 . 0 0 "[ . 1 . 2]" 1
595 1 80 ASN QD 1 117 ASN H . . 4.170 3.763 2.519 4.142 . 0 0 "[ . 1 . 2]" 1
596 1 116 PRO HA 1 117 ASN H . . 3.420 2.394 2.202 2.527 . 0 0 "[ . 1 . 2]" 1
597 1 117 ASN H 1 117 ASN HB2 . . 3.750 2.552 2.105 3.032 . 0 0 "[ . 1 . 2]" 1
598 1 117 ASN H 1 117 ASN HB3 . . 3.810 3.051 2.424 3.648 . 0 0 "[ . 1 . 2]" 1
599 1 116 PRO HB2 1 117 ASN H . . 4.260 2.946 2.616 3.465 . 0 0 "[ . 1 . 2]" 1
600 1 116 PRO HB3 1 117 ASN H . . 3.870 3.660 3.486 3.942 0.072 11 0 "[ . 1 . 2]" 1
601 1 56 VAL H 1 73 LEU H . . 4.240 4.126 3.858 4.309 0.069 15 0 "[ . 1 . 2]" 1
602 1 56 VAL H 1 71 ARG H . . 3.810 2.916 2.750 3.122 . 0 0 "[ . 1 . 2]" 1
603 1 55 LEU HA 1 56 VAL H . . 3.130 2.373 2.298 2.443 . 0 0 "[ . 1 . 2]" 1
604 1 56 VAL H 1 72 PHE HA . . 3.950 3.873 3.710 4.010 0.060 13 0 "[ . 1 . 2]" 1
605 1 56 VAL H 1 56 VAL HB . . 3.770 3.383 3.277 3.504 . 0 0 "[ . 1 . 2]" 1
606 1 56 VAL H 1 71 ARG HB2 . . 4.050 3.742 3.497 3.958 . 0 0 "[ . 1 . 2]" 1
607 1 55 LEU HG 1 56 VAL H . . 3.990 4.014 3.759 4.064 0.074 16 0 "[ . 1 . 2]" 1
608 1 55 LEU HB2 1 56 VAL H . . 3.870 3.620 3.502 3.819 . 0 0 "[ . 1 . 2]" 1
609 1 56 VAL H 1 56 VAL MG1 . . 3.660 2.276 2.209 2.405 . 0 0 "[ . 1 . 2]" 1
610 1 56 VAL H 1 70 VAL MG1 . . 4.480 3.419 3.134 3.721 . 0 0 "[ . 1 . 2]" 1
611 1 109 ILE HG12 1 110 GLN H . . 5.500 5.085 5.013 5.137 . 0 0 "[ . 1 . 2]" 1
612 1 110 GLN H 1 110 GLN HG3 . . 4.280 4.369 4.345 4.631 0.351 9 0 "[ . 1 . 2]" 1
613 1 110 GLN H 1 110 GLN HB2 . . 3.480 2.441 2.346 2.690 . 0 0 "[ . 1 . 2]" 1
614 1 106 LEU HA 1 110 GLN H . . 4.590 4.267 4.049 4.643 0.053 12 0 "[ . 1 . 2]" 1
615 1 110 GLN H 1 110 GLN HB3 . . 3.530 2.524 2.235 2.767 . 0 0 "[ . 1 . 2]" 1
616 1 109 ILE HB 1 110 GLN H . . 3.730 2.727 2.553 2.942 . 0 0 "[ . 1 . 2]" 1
617 1 40 ILE MG 1 110 GLN H . . 4.780 3.676 3.414 3.970 . 0 0 "[ . 1 . 2]" 1
618 1 40 ILE MD 1 110 GLN H . . 4.340 2.933 2.624 3.232 . 0 0 "[ . 1 . 2]" 1
619 1 109 ILE HG13 1 110 GLN H . . 4.110 4.186 4.151 4.197 0.087 18 0 "[ . 1 . 2]" 1
620 1 26 GLY H 1 27 ALA H . . 4.390 4.318 4.234 4.447 0.057 4 0 "[ . 1 . 2]" 1
621 1 27 ALA H 1 36 TRP HE3 . . 4.170 3.288 3.013 3.705 . 0 0 "[ . 1 . 2]" 1
622 1 27 ALA H 1 38 ALA HA . . 3.640 3.478 3.333 3.654 0.014 11 0 "[ . 1 . 2]" 1
623 1 26 GLY HA3 1 27 ALA H . . 3.200 3.054 2.776 3.231 0.031 15 0 "[ . 1 . 2]" 1
624 1 26 GLY HA2 1 27 ALA H . . 3.130 2.312 2.239 2.435 . 0 0 "[ . 1 . 2]" 1
625 1 27 ALA H 1 36 TRP HB3 . . 4.260 3.975 3.534 4.319 0.059 4 0 "[ . 1 . 2]" 1
626 1 27 ALA H 1 38 ALA MB . . 4.400 3.839 3.535 4.103 . 0 0 "[ . 1 . 2]" 1
627 1 16 LEU QD 1 27 ALA H . . 4.860 4.525 4.172 4.841 . 0 0 "[ . 1 . 2]" 1
628 1 92 LEU H 1 93 GLN H . . 3.270 2.376 2.037 2.597 . 0 0 "[ . 1 . 2]" 1
629 1 93 GLN H 1 93 GLN QG . . 3.950 2.930 2.697 3.293 . 0 0 "[ . 1 . 2]" 1
630 1 93 GLN H 1 93 GLN QB . . 3.540 2.547 2.369 2.705 . 0 0 "[ . 1 . 2]" 1
631 1 92 LEU HB2 1 93 GLN H . . 4.260 3.869 3.487 4.056 . 0 0 "[ . 1 . 2]" 1
632 1 92 LEU MD2 1 93 GLN H . . 4.820 4.584 4.457 4.705 . 0 0 "[ . 1 . 2]" 1
633 1 126 ALA H 1 127 ALA H . . 3.570 2.615 2.482 2.817 . 0 0 "[ . 1 . 2]" 1
634 1 79 PRO HA 1 127 ALA H . . 3.790 3.527 3.040 3.842 0.052 15 0 "[ . 1 . 2]" 1
635 1 127 ALA H 1 128 GLN QB . . 4.350 4.332 4.202 4.427 0.077 1 0 "[ . 1 . 2]" 1
636 1 79 PRO HB2 1 127 ALA H . . 4.620 4.281 3.908 4.693 0.073 19 0 "[ . 1 . 2]" 1
637 1 124 SER HA 1 127 ALA H . . 3.890 3.310 2.796 3.669 . 0 0 "[ . 1 . 2]" 1
638 1 127 ALA H 1 127 ALA MB . . 3.390 2.232 2.196 2.282 . 0 0 "[ . 1 . 2]" 1
639 1 126 ALA MB 1 127 ALA H . . 3.900 2.538 2.396 2.719 . 0 0 "[ . 1 . 2]" 1
640 1 125 GLN HG2 1 129 LEU H . . 4.660 4.478 4.129 4.772 0.112 10 0 "[ . 1 . 2]" 1
641 1 128 GLN HG3 1 129 LEU H . . 4.460 4.338 3.672 4.528 0.068 19 0 "[ . 1 . 2]" 1
642 1 128 GLN QB 1 129 LEU H . . 3.190 2.440 2.231 2.803 . 0 0 "[ . 1 . 2]" 1
643 1 129 LEU H 1 129 LEU HB3 . . 3.890 3.618 3.582 3.662 . 0 0 "[ . 1 . 2]" 1
644 1 129 LEU H 1 129 LEU QD . . 4.070 3.016 2.811 3.166 . 0 0 "[ . 1 . 2]" 1
645 1 90 ASP HA 1 93 GLN H . . 4.020 3.684 3.247 4.071 0.051 11 0 "[ . 1 . 2]" 1
646 1 29 SER H 1 36 TRP HA . . 3.660 2.795 2.399 3.194 . 0 0 "[ . 1 . 2]" 1
647 1 28 PRO QB 1 29 SER H . . 4.110 2.572 2.387 2.758 . 0 0 "[ . 1 . 2]" 1
648 1 28 PRO HA 1 29 SER H . . 3.420 2.456 2.387 2.522 . 0 0 "[ . 1 . 2]" 1
649 1 29 SER H 1 29 SER QB . . 3.590 2.315 2.053 2.471 . 0 0 "[ . 1 . 2]" 1
650 1 85 GLY H 1 86 SER H . . 3.420 2.993 2.716 3.335 . 0 0 "[ . 1 . 2]" 1
651 1 86 SER H 1 86 SER QB . . 3.820 2.554 2.090 3.076 . 0 0 "[ . 1 . 2]" 1
652 1 82 TYR HB3 1 86 SER H . . 4.480 3.877 2.884 4.550 0.070 10 0 "[ . 1 . 2]" 1
653 1 82 TYR HB2 1 86 SER H . . 4.030 2.635 2.043 3.227 . 0 0 "[ . 1 . 2]" 1
654 1 29 SER H 1 37 ASN H . . 4.400 4.089 3.749 4.361 . 0 0 "[ . 1 . 2]" 1
655 1 27 ALA MB 1 37 ASN H . . 4.810 4.223 3.899 4.473 . 0 0 "[ . 1 . 2]" 1
656 1 28 PRO HA 1 37 ASN H . . 4.090 3.055 2.984 3.213 . 0 0 "[ . 1 . 2]" 1
657 1 37 ASN H 1 37 ASN HB2 . . 3.790 2.575 2.464 2.800 . 0 0 "[ . 1 . 2]" 1
658 1 36 TRP HE3 1 37 ASN H . . 4.740 3.990 3.671 4.364 . 0 0 "[ . 1 . 2]" 1
659 1 36 TRP HA 1 37 ASN H . . 3.210 2.277 2.160 2.366 . 0 0 "[ . 1 . 2]" 1
660 1 36 TRP HB3 1 37 ASN H . . 3.750 2.741 2.600 3.088 . 0 0 "[ . 1 . 2]" 1
661 1 37 ASN H 1 37 ASN HB3 . . 3.720 3.704 3.578 3.857 0.137 3 0 "[ . 1 . 2]" 1
662 1 28 PRO QB 1 37 ASN H . . 4.670 4.775 4.764 4.785 0.115 10 0 "[ . 1 . 2]" 1
663 1 10 MET H 1 10 MET HG3 . . 4.050 3.089 2.318 3.621 . 0 0 "[ . 1 . 2]" 1
664 1 10 MET H 1 10 MET HB2 . . 3.590 2.448 2.280 2.537 . 0 0 "[ . 1 . 2]" 1
665 1 126 ALA H 1 128 GLN H . . 4.570 3.945 3.728 4.109 . 0 0 "[ . 1 . 2]" 1
666 1 128 GLN H 1 128 GLN QB . . 2.860 2.175 2.063 2.257 . 0 0 "[ . 1 . 2]" 1
667 1 114 ASP HB2 1 115 GLU H . . 3.930 3.945 3.823 4.008 0.078 18 0 "[ . 1 . 2]" 1
668 1 113 LEU HB2 1 115 GLU H . . 4.770 4.819 4.733 4.854 0.084 19 0 "[ . 1 . 2]" 1
669 1 65 ASN H 1 66 LYS H . . 3.350 2.670 2.369 2.979 . 0 0 "[ . 1 . 2]" 1
670 1 63 TYR HA 1 66 LYS H . . 3.570 2.562 2.209 3.225 . 0 0 "[ . 1 . 2]" 1
671 1 64 PRO HA 1 66 LYS H . . 4.260 3.821 3.077 4.218 . 0 0 "[ . 1 . 2]" 1
672 1 65 ASN HB2 1 66 LYS H . . 3.850 3.425 2.827 3.924 0.074 19 0 "[ . 1 . 2]" 1
673 1 66 LYS H 1 66 LYS HB2 . . 3.950 2.532 2.224 3.805 . 0 0 "[ . 1 . 2]" 1
674 1 66 LYS H 1 66 LYS HB3 . . 3.500 3.280 2.248 3.626 0.126 17 0 "[ . 1 . 2]" 1
675 1 135 ARG H 1 136 GLU H . . 4.020 2.771 2.532 2.945 . 0 0 "[ . 1 . 2]" 1
676 1 135 ARG H 1 135 ARG QB . . 3.530 2.382 2.125 2.840 . 0 0 "[ . 1 . 2]" 1
677 1 129 LEU HB3 1 130 TYR H . . 3.920 3.570 3.240 3.793 . 0 0 "[ . 1 . 2]" 1
678 1 15 ARG H 1 15 ARG QB . . 2.910 2.228 2.091 2.525 . 0 0 "[ . 1 . 2]" 1
679 1 127 ALA MB 1 128 GLN H . . 3.630 2.659 2.420 2.854 . 0 0 "[ . 1 . 2]" 1
680 1 95 ARG H 1 96 TRP H . . 3.700 2.718 2.211 3.099 . 0 0 "[ . 1 . 2]" 1
681 1 91 ILE HA 1 95 ARG H . . 4.360 3.509 2.924 4.072 . 0 0 "[ . 1 . 2]" 1
682 1 94 ASN HB3 1 95 ARG H . . 4.250 3.755 2.868 4.252 0.002 4 0 "[ . 1 . 2]" 1
683 1 95 ARG H 1 95 ARG HG2 . . 4.110 3.572 2.669 4.515 0.405 9 0 "[ . 1 . 2]" 1
684 1 95 ARG H 1 95 ARG HB3 . . 3.810 3.505 3.040 3.842 0.032 2 0 "[ . 1 . 2]" 1
685 1 114 ASP H 1 115 GLU H . . 3.210 2.483 2.275 2.698 . 0 0 "[ . 1 . 2]" 1
686 1 114 ASP HA 1 115 GLU H . . 3.560 3.530 3.437 3.586 0.026 7 0 "[ . 1 . 2]" 1
687 1 112 LEU HA 1 115 GLU H . . 3.870 3.225 2.945 3.421 . 0 0 "[ . 1 . 2]" 1
688 1 113 LEU HA 1 115 GLU H . . 4.000 4.079 4.054 4.093 0.093 13 0 "[ . 1 . 2]" 1
689 1 114 ASP HB3 1 115 GLU H . . 3.510 2.862 2.686 3.206 . 0 0 "[ . 1 . 2]" 1
690 1 115 GLU H 1 115 GLU QG . . 4.140 3.985 2.340 4.223 0.083 19 0 "[ . 1 . 2]" 1
691 1 115 GLU H 1 115 GLU HB2 . . 3.600 3.125 2.502 3.689 0.089 13 0 "[ . 1 . 2]" 1
692 1 115 GLU H 1 115 GLU HB3 . . 3.560 3.017 2.659 3.653 0.093 17 0 "[ . 1 . 2]" 1
693 1 130 TYR H 1 131 GLN H . . 3.520 2.901 2.733 3.004 . 0 0 "[ . 1 . 2]" 1
694 1 130 TYR H 1 130 TYR HB2 . . 3.470 2.254 2.099 2.431 . 0 0 "[ . 1 . 2]" 1
695 1 130 TYR H 1 130 TYR HB3 . . 3.410 2.837 2.593 3.012 . 0 0 "[ . 1 . 2]" 1
696 1 130 TYR H 1 130 TYR QD . . 4.340 4.144 4.032 4.247 . 0 0 "[ . 1 . 2]" 1
697 1 7 ARG H 1 7 ARG QB . . 3.290 2.233 2.054 2.554 . 0 0 "[ . 1 . 2]" 1
698 1 106 LEU H 1 106 LEU HB3 . . 3.970 3.534 3.485 3.584 . 0 0 "[ . 1 . 2]" 1
699 1 129 LEU QD 1 130 TYR H . . 4.460 4.121 4.072 4.160 . 0 0 "[ . 1 . 2]" 1
700 1 106 LEU H 1 106 LEU MD1 . . 4.000 3.292 3.162 3.393 . 0 0 "[ . 1 . 2]" 1
701 1 106 LEU H 1 106 LEU MD2 . . 4.230 4.043 3.819 4.198 . 0 0 "[ . 1 . 2]" 1
702 1 12 ASP HA 1 15 ARG H . . 4.440 3.419 3.202 3.903 . 0 0 "[ . 1 . 2]" 1
703 1 18 GLU HA 1 19 ASP H . . 3.550 3.502 3.338 3.579 0.029 20 0 "[ . 1 . 2]" 1
704 1 19 ASP H 1 20 PRO HD3 . . 3.930 3.180 2.872 3.538 . 0 0 "[ . 1 . 2]" 1
705 1 19 ASP H 1 19 ASP HB2 . . 3.640 2.760 2.419 3.727 0.087 10 0 "[ . 1 . 2]" 1
706 1 19 ASP H 1 19 ASP HB3 . . 3.560 3.341 2.557 3.723 0.163 14 0 "[ . 1 . 2]" 1
707 1 18 GLU HG3 1 19 ASP H . . 4.370 3.783 2.310 5.043 0.673 11 1 "[ . 1+ . 2]" 1
708 1 18 GLU QB 1 19 ASP H . . 3.380 3.001 2.388 3.493 0.113 1 0 "[ . 1 . 2]" 1
709 1 48 PHE HA 1 50 ASP H . . 4.330 4.177 3.816 4.419 0.089 16 0 "[ . 1 . 2]" 1
710 1 50 ASP H 1 50 ASP HB2 . . 4.160 2.581 2.073 3.600 . 0 0 "[ . 1 . 2]" 1
711 1 49 GLU HB2 1 50 ASP H . . 4.240 3.793 3.455 4.142 . 0 0 "[ . 1 . 2]" 1
712 1 49 GLU HG3 1 50 ASP H . . 4.170 2.117 1.758 2.683 . 0 0 "[ . 1 . 2]" 1
713 1 49 GLU HG2 1 50 ASP H . . 4.090 3.562 2.968 3.894 . 0 0 "[ . 1 . 2]" 1
714 1 49 GLU HB3 1 50 ASP H . . 4.320 4.118 3.887 4.375 0.055 15 0 "[ . 1 . 2]" 1
715 1 49 GLU H 1 50 ASP H . . 4.370 3.102 2.822 3.271 . 0 0 "[ . 1 . 2]" 1
716 1 18 GLU H 1 18 GLU HG2 . . 3.510 2.821 1.913 3.594 0.084 16 0 "[ . 1 . 2]" 1
717 1 18 GLU H 1 18 GLU HG3 . . 3.870 3.031 2.245 3.951 0.081 4 0 "[ . 1 . 2]" 1
718 1 18 GLU H 1 18 GLU QB . . 3.040 2.454 2.264 2.877 . 0 0 "[ . 1 . 2]" 1
719 1 102 VAL H 1 102 VAL MG2 . . 4.120 2.200 2.003 2.649 . 0 0 "[ . 1 . 2]" 1
720 1 101 ASP HB3 1 102 VAL H . . 4.130 2.746 2.212 3.783 . 0 0 "[ . 1 . 2]" 1
721 1 101 ASP HB2 1 102 VAL H . . 3.910 3.621 2.332 4.041 0.131 13 0 "[ . 1 . 2]" 1
722 1 102 VAL H 1 102 VAL HB . . 3.940 2.556 2.404 2.738 . 0 0 "[ . 1 . 2]" 1
723 1 102 VAL H 1 102 VAL MG1 . . 4.680 3.801 3.753 3.857 . 0 0 "[ . 1 . 2]" 1
724 1 137 TYR QD 1 138 GLU H . . 4.230 3.661 3.357 3.941 . 0 0 "[ . 1 . 2]" 1
725 1 135 ARG HA 1 138 GLU H . . 4.190 3.518 3.019 3.865 . 0 0 "[ . 1 . 2]" 1
726 1 104 SER H 1 104 SER HB2 . . 3.520 2.381 2.084 2.856 . 0 0 "[ . 1 . 2]" 1
727 1 91 ILE H 1 92 LEU H . . 4.420 2.795 2.612 2.936 . 0 0 "[ . 1 . 2]" 1
728 1 89 LEU HG 1 91 ILE H . . 4.240 2.378 2.046 2.576 . 0 0 "[ . 1 . 2]" 1
729 1 91 ILE H 1 91 ILE QG . . 4.300 2.217 2.064 2.462 . 0 0 "[ . 1 . 2]" 1
730 1 91 ILE H 1 91 ILE MG . . 4.160 2.332 2.170 2.698 . 0 0 "[ . 1 . 2]" 1
731 1 148 SER H 1 149 TRP H . . 4.610 2.648 2.465 2.795 . 0 0 "[ . 1 . 2]" 1
732 1 137 TYR HB2 1 138 GLU H . . 3.400 3.465 3.412 3.479 0.079 19 0 "[ . 1 . 2]" 1
733 1 138 GLU H 1 138 GLU HB2 . . 3.530 2.447 2.318 2.618 . 0 0 "[ . 1 . 2]" 1
734 1 138 GLU H 1 138 GLU HB3 . . 3.760 3.591 3.535 3.643 . 0 0 "[ . 1 . 2]" 1
735 1 147 GLN H 1 147 GLN HB2 . . 3.930 2.282 2.050 2.555 . 0 0 "[ . 1 . 2]" 1
736 1 147 GLN H 1 147 GLN QG . . 4.060 3.180 2.265 4.112 0.052 3 0 "[ . 1 . 2]" 1
737 1 147 GLN H 1 147 GLN HB3 . . 3.690 3.410 2.756 3.664 . 0 0 "[ . 1 . 2]" 1
738 1 146 GLU HB3 1 147 GLN H . . 3.740 2.896 2.412 3.225 . 0 0 "[ . 1 . 2]" 1
739 1 6 ARG H 1 7 ARG H . . 4.240 2.860 2.646 3.110 . 0 0 "[ . 1 . 2]" 1
740 1 5 ALA MB 1 6 ARG H . . 3.780 2.364 2.050 2.656 . 0 0 "[ . 1 . 2]" 1
741 1 110 GLN HA 1 113 LEU H . . 4.440 3.589 3.296 3.900 . 0 0 "[ . 1 . 2]" 1
742 1 113 LEU H 1 113 LEU HB2 . . 3.520 2.633 2.398 2.880 . 0 0 "[ . 1 . 2]" 1
743 1 113 LEU H 1 113 LEU HG . . 3.520 2.328 2.071 2.648 . 0 0 "[ . 1 . 2]" 1
744 1 113 LEU H 1 113 LEU MD1 . . 4.000 3.397 3.036 3.600 . 0 0 "[ . 1 . 2]" 1
745 1 113 LEU H 1 113 LEU MD2 . . 4.410 3.647 3.161 3.989 . 0 0 "[ . 1 . 2]" 1
746 1 143 ALA H 1 144 ILE H . . 3.840 2.872 2.694 3.036 . 0 0 "[ . 1 . 2]" 1
747 1 141 VAL HA 1 144 ILE H . . 4.490 3.256 3.017 3.520 . 0 0 "[ . 1 . 2]" 1
748 1 144 ILE H 1 144 ILE HB . . 3.920 2.762 2.198 3.764 . 0 0 "[ . 1 . 2]" 1
749 1 144 ILE H 1 144 ILE MG . . 4.370 2.416 2.257 2.616 . 0 0 "[ . 1 . 2]" 1
750 1 144 ILE H 1 144 ILE MD . . 4.750 3.918 2.103 4.211 . 0 0 "[ . 1 . 2]" 1
751 1 144 ILE H 1 144 ILE HG13 . . 4.080 3.971 3.373 4.287 0.207 17 0 "[ . 1 . 2]" 1
752 1 141 VAL MG1 1 142 SER H . . 4.670 3.483 3.164 3.727 . 0 0 "[ . 1 . 2]" 1
753 1 142 SER H 1 143 ALA H . . 3.920 2.904 2.722 3.053 . 0 0 "[ . 1 . 2]" 1
754 1 142 SER H 1 142 SER QB . . 3.150 2.452 2.010 2.700 . 0 0 "[ . 1 . 2]" 1
755 1 141 VAL HB 1 142 SER H . . 3.890 2.955 2.647 3.327 . 0 0 "[ . 1 . 2]" 1
756 1 141 VAL MG2 1 142 SER H . . 5.080 4.140 3.960 4.304 . 0 0 "[ . 1 . 2]" 1
757 1 101 ASP H 1 101 ASP HB2 . . 3.550 2.558 2.178 3.628 0.078 10 0 "[ . 1 . 2]" 1
758 1 100 TYR HA 1 101 ASP H . . 3.250 2.370 2.087 2.675 . 0 0 "[ . 1 . 2]" 1
759 1 100 TYR HB3 1 101 ASP H . . 4.120 2.797 2.410 3.349 . 0 0 "[ . 1 . 2]" 1
760 1 31 ASN HB2 1 32 ASN H . . 4.180 3.887 2.946 4.253 0.073 15 0 "[ . 1 . 2]" 1
761 1 31 ASN HB3 1 32 ASN H . . 4.070 3.113 2.588 3.996 . 0 0 "[ . 1 . 2]" 1
762 1 131 GLN HG2 1 132 GLU H . . 4.640 3.340 2.706 5.038 0.398 8 0 "[ . 1 . 2]" 1
763 1 132 GLU H 1 132 GLU QG . . 3.800 2.821 2.381 3.578 . 0 0 "[ . 1 . 2]" 1
764 1 131 GLN QB 1 132 GLU H . . 3.360 3.092 2.330 3.463 0.103 20 0 "[ . 1 . 2]" 1
765 1 25 SER H 1 39 VAL H . . 3.630 2.763 2.544 2.853 . 0 0 "[ . 1 . 2]" 1
766 1 24 VAL HA 1 25 SER H . . 3.020 2.343 2.205 2.437 . 0 0 "[ . 1 . 2]" 1
767 1 25 SER H 1 25 SER HB3 . . 4.090 3.803 2.757 3.994 . 0 0 "[ . 1 . 2]" 1
768 1 25 SER H 1 39 VAL HB . . 4.270 3.162 2.773 3.395 . 0 0 "[ . 1 . 2]" 1
769 1 24 VAL MG2 1 25 SER H . . 3.930 3.745 3.636 3.888 . 0 0 "[ . 1 . 2]" 1
770 1 25 SER H 1 40 ILE HA . . 4.140 3.992 3.791 4.193 0.053 10 0 "[ . 1 . 2]" 1
771 1 24 VAL HB 1 25 SER H . . 3.660 2.868 2.623 3.130 . 0 0 "[ . 1 . 2]" 1
772 1 25 SER H 1 40 ILE HG12 . . 4.600 4.428 4.142 4.612 0.012 3 0 "[ . 1 . 2]" 1
773 1 119 ASN H 1 120 SER H . . 4.170 2.725 2.371 2.931 . 0 0 "[ . 1 . 2]" 1
774 1 119 ASN H 1 119 ASN HB3 . . 3.650 3.179 2.429 3.652 0.002 20 0 "[ . 1 . 2]" 1
775 1 118 PRO HB2 1 119 ASN H . . 4.180 3.907 3.456 4.171 . 0 0 "[ . 1 . 2]" 1
776 1 118 PRO HD2 1 119 ASN H . . 4.110 3.004 2.108 3.493 . 0 0 "[ . 1 . 2]" 1
777 1 73 LEU H 1 74 SER H . . 3.320 2.189 1.792 2.407 . 0 0 "[ . 1 . 2]" 1
778 1 72 PHE HA 1 74 SER H . . 3.470 3.516 3.306 3.558 0.088 16 0 "[ . 1 . 2]" 1
779 1 74 SER H 1 74 SER QB . . 3.850 2.477 2.113 2.946 . 0 0 "[ . 1 . 2]" 1
780 1 73 LEU MD2 1 74 SER H . . 4.670 4.665 4.556 4.751 0.081 15 0 "[ . 1 . 2]" 1
781 1 72 PHE HB3 1 74 SER H . . 4.390 3.485 2.959 3.780 . 0 0 "[ . 1 . 2]" 1
782 1 122 ALA MB 1 123 ASN H . . 3.830 2.358 2.128 2.759 . 0 0 "[ . 1 . 2]" 1
783 1 123 ASN H 1 123 ASN QB . . 3.660 2.558 2.271 3.073 . 0 0 "[ . 1 . 2]" 1
784 1 78 HIS HE1 1 80 ASN H . . 4.740 4.149 3.674 4.744 0.004 15 0 "[ . 1 . 2]" 1
785 1 80 ASN H 1 80 ASN HB2 . . 4.020 2.560 2.150 3.220 . 0 0 "[ . 1 . 2]" 1
786 1 80 ASN H 1 80 ASN HB3 . . 3.730 2.864 2.412 3.377 . 0 0 "[ . 1 . 2]" 1
787 1 79 PRO HB2 1 80 ASN H . . 4.390 3.744 3.194 4.266 . 0 0 "[ . 1 . 2]" 1
788 1 79 PRO HG2 1 80 ASN H . . 4.440 3.148 2.273 4.501 0.061 19 0 "[ . 1 . 2]" 1
789 1 80 ASN H 1 122 ALA MB . . 4.960 4.377 3.891 4.729 . 0 0 "[ . 1 . 2]" 1
790 1 112 LEU HA 1 114 ASP H . . 4.470 4.337 4.069 4.540 0.070 10 0 "[ . 1 . 2]" 1
791 1 114 ASP H 1 114 ASP HB3 . . 3.360 2.470 2.120 2.801 . 0 0 "[ . 1 . 2]" 1
792 1 114 ASP H 1 114 ASP HB2 . . 3.420 2.422 2.090 2.784 . 0 0 "[ . 1 . 2]" 1
793 1 113 LEU HB2 1 114 ASP H . . 3.890 2.661 2.408 2.849 . 0 0 "[ . 1 . 2]" 1
794 1 113 LEU HB3 1 114 ASP H . . 4.000 3.825 3.637 4.049 0.049 3 0 "[ . 1 . 2]" 1
795 1 122 ALA H 1 123 ASN H . . 3.420 2.858 2.562 3.275 . 0 0 "[ . 1 . 2]" 1
796 1 121 PRO HA 1 123 ASN H . . 4.060 3.943 3.514 4.131 0.071 13 0 "[ . 1 . 2]" 1
797 1 102 VAL H 1 103 SER H . . 4.020 2.674 2.354 2.900 . 0 0 "[ . 1 . 2]" 1
798 1 16 LEU H 1 17 GLN H . . 3.460 2.854 2.705 3.007 . 0 0 "[ . 1 . 2]" 1
799 1 14 LYS HA 1 17 GLN H . . 4.000 3.302 2.949 3.671 . 0 0 "[ . 1 . 2]" 1
800 1 17 GLN H 1 17 GLN QB . . 2.860 2.236 2.116 2.344 . 0 0 "[ . 1 . 2]" 1
801 1 16 LEU QD 1 17 GLN H . . 4.810 4.017 3.721 4.199 . 0 0 "[ . 1 . 2]" 1
802 1 103 SER H 1 104 SER H . . 3.650 2.790 2.629 2.999 . 0 0 "[ . 1 . 2]" 1
803 1 102 VAL HB 1 103 SER H . . 3.800 2.766 2.599 3.058 . 0 0 "[ . 1 . 2]" 1
804 1 16 LEU QD 1 103 SER H . . 4.660 3.073 2.642 3.428 . 0 0 "[ . 1 . 2]" 1
805 1 102 VAL MG1 1 103 SER H . . 4.310 3.640 3.446 3.897 . 0 0 "[ . 1 . 2]" 1
806 1 102 VAL MG2 1 103 SER H . . 4.930 3.953 3.734 4.117 . 0 0 "[ . 1 . 2]" 1
807 1 59 PHE QD 1 60 SER H . . 4.720 3.685 3.318 4.242 . 0 0 "[ . 1 . 2]" 1
808 1 59 PHE HB3 1 60 SER H . . 3.770 2.425 2.272 2.824 . 0 0 "[ . 1 . 2]" 1
809 1 34 MET ME 1 60 SER H . . 4.680 3.966 3.382 4.592 . 0 0 "[ . 1 . 2]" 1
810 1 59 PHE HA 1 60 SER H . . 3.390 2.454 2.277 2.572 . 0 0 "[ . 1 . 2]" 1
811 1 92 LEU H 1 92 LEU HB3 . . 3.790 3.750 3.667 3.834 0.044 4 0 "[ . 1 . 2]" 1
812 1 91 ILE QG 1 92 LEU H . . 4.460 2.972 2.569 3.299 . 0 0 "[ . 1 . 2]" 1
813 1 83 ALA MB 1 84 ASP H . . 4.650 2.779 2.490 3.147 . 0 0 "[ . 1 . 2]" 1
814 1 92 LEU H 1 92 LEU HB2 . . 4.000 2.627 2.520 2.791 . 0 0 "[ . 1 . 2]" 1
815 1 89 LEU HG 1 92 LEU H . . 3.660 3.195 2.827 3.571 . 0 0 "[ . 1 . 2]" 1
816 1 92 LEU H 1 92 LEU MD2 . . 4.240 3.540 3.307 3.784 . 0 0 "[ . 1 . 2]" 1
817 1 22 VAL HA 1 23 GLY H . . 3.640 2.340 2.173 2.444 . 0 0 "[ . 1 . 2]" 1
818 1 22 VAL MG1 1 23 GLY H . . 4.660 2.348 2.096 3.304 . 0 0 "[ . 1 . 2]" 1
819 1 34 MET H 1 34 MET HB2 . . 3.530 2.165 1.992 2.373 . 0 0 "[ . 1 . 2]" 1
820 1 34 MET H 1 35 GLN HB2 . . 4.560 4.566 4.354 4.639 0.079 15 0 "[ . 1 . 2]" 1
821 1 110 GLN HB3 1 111 SER H . . 3.770 2.476 2.120 2.891 . 0 0 "[ . 1 . 2]" 1
822 1 34 MET H 1 34 MET HG2 . . 3.950 3.483 2.645 4.031 0.081 12 0 "[ . 1 . 2]" 1
823 1 34 MET H 1 34 MET HB3 . . 3.750 3.441 3.206 3.611 . 0 0 "[ . 1 . 2]" 1
824 1 33 ILE MG 1 34 MET H . . 4.280 2.803 2.497 3.077 . 0 0 "[ . 1 . 2]" 1
825 1 111 SER H 1 113 LEU H . . 4.460 4.302 4.030 4.523 0.063 7 0 "[ . 1 . 2]" 1
826 1 111 SER H 1 112 LEU H . . 3.670 2.739 2.548 2.856 . 0 0 "[ . 1 . 2]" 1
827 1 111 SER H 1 111 SER QB . . 3.170 2.342 2.161 2.595 . 0 0 "[ . 1 . 2]" 1
828 1 110 GLN HB2 1 111 SER H . . 4.090 3.832 3.615 3.999 . 0 0 "[ . 1 . 2]" 1
829 1 37 ASN HD22 1 56 VAL MG2 . . 5.110 3.568 2.800 4.201 . 0 0 "[ . 1 . 2]" 1
830 1 29 SER HA 1 37 ASN HD22 . . 4.640 4.437 3.224 4.717 0.077 16 0 "[ . 1 . 2]" 1
831 1 46 THR MG 1 48 PHE H . . 4.870 4.262 3.933 4.908 0.038 7 0 "[ . 1 . 2]" 1
832 1 48 PHE H 1 48 PHE QD . . 3.840 3.050 2.847 3.302 . 0 0 "[ . 1 . 2]" 1
833 1 46 THR HB 1 48 PHE H . . 4.210 2.875 2.413 3.541 . 0 0 "[ . 1 . 2]" 1
834 1 48 PHE H 1 48 PHE HB3 . . 3.980 3.654 3.551 3.743 . 0 0 "[ . 1 . 2]" 1
835 1 48 PHE H 1 48 PHE HB2 . . 3.690 2.525 2.401 2.703 . 0 0 "[ . 1 . 2]" 1
836 1 48 PHE H 1 49 GLU HG2 . . 4.480 4.519 4.187 4.565 0.085 5 0 "[ . 1 . 2]" 1
837 1 123 ASN HD22 1 126 ALA H . . 4.610 3.947 2.738 4.682 0.072 2 0 "[ . 1 . 2]" 1
838 1 23 GLY H 1 24 VAL H . . 3.860 3.028 2.573 3.260 . 0 0 "[ . 1 . 2]" 1
839 1 2 SER QB 1 3 THR H . . 4.050 3.539 1.923 4.066 0.016 5 0 "[ . 1 . 2]" 1
840 1 21 PRO HB2 1 24 VAL H . . 4.400 3.820 3.353 4.172 . 0 0 "[ . 1 . 2]" 1
841 1 24 VAL H 1 24 VAL MG2 . . 3.620 2.395 2.244 2.570 . 0 0 "[ . 1 . 2]" 1
842 1 44 GLU HA 1 45 GLY H . . 3.120 2.182 2.093 2.277 . 0 0 "[ . 1 . 2]" 1
843 1 45 GLY H 1 49 GLU HB2 . . 4.050 3.884 3.289 4.118 0.068 8 0 "[ . 1 . 2]" 1
844 1 45 GLY H 1 49 GLU HB3 . . 3.600 3.122 2.629 3.401 . 0 0 "[ . 1 . 2]" 1
845 1 106 LEU H 1 107 THR H . . 3.670 2.828 2.668 2.942 . 0 0 "[ . 1 . 2]" 1
846 1 107 THR H 1 107 THR HB . . 3.550 3.574 3.525 3.612 0.062 13 0 "[ . 1 . 2]" 1
847 1 106 LEU HB2 1 107 THR H . . 3.780 2.805 2.491 2.983 . 0 0 "[ . 1 . 2]" 1
848 1 107 THR H 1 107 THR MG . . 3.770 2.345 2.175 2.537 . 0 0 "[ . 1 . 2]" 1
849 1 129 LEU QD 1 133 ASN HD21 . . 5.180 3.750 2.672 5.127 . 0 0 "[ . 1 . 2]" 1
850 1 24 VAL MG2 1 107 THR H . . 4.490 3.052 2.833 3.258 . 0 0 "[ . 1 . 2]" 1
851 1 23 GLY HA2 1 110 GLN HE21 . . 4.690 4.302 3.448 5.142 0.452 2 0 "[ . 1 . 2]" 1
852 1 110 GLN HB2 1 110 GLN HE21 . . 4.770 3.357 2.618 3.827 . 0 0 "[ . 1 . 2]" 1
853 1 40 ILE MD 1 110 GLN HE21 . . 4.940 5.033 5.017 5.045 0.105 9 0 "[ . 1 . 2]" 1
854 1 131 GLN H 1 132 GLU H . . 3.300 2.340 2.212 2.481 . 0 0 "[ . 1 . 2]" 1
855 1 130 TYR QD 1 131 GLN H . . 4.640 4.019 3.567 4.399 . 0 0 "[ . 1 . 2]" 1
856 1 131 GLN H 1 131 GLN QB . . 3.280 2.475 2.013 2.935 . 0 0 "[ . 1 . 2]" 1
857 1 130 TYR HB2 1 131 GLN H . . 3.660 3.804 3.633 4.135 0.475 10 0 "[ . 1 . 2]" 1
858 1 131 GLN H 1 131 GLN HG3 . . 3.830 3.468 2.464 4.457 0.627 13 4 "[ . * -* + . 2]" 1
859 1 131 GLN H 1 132 GLU HB2 . . 4.210 4.271 4.184 4.292 0.082 15 0 "[ . 1 . 2]" 1
860 1 23 GLY HA2 1 110 GLN HE22 . . 4.470 3.680 2.743 4.532 0.062 4 0 "[ . 1 . 2]" 1
861 1 69 THR H 1 70 VAL MG2 . . 5.060 4.620 4.246 5.113 0.053 5 0 "[ . 1 . 2]" 1
862 1 58 GLU HB3 1 69 THR H . . 4.400 4.125 3.083 4.463 0.063 1 0 "[ . 1 . 2]" 1
863 1 58 GLU H 1 69 THR H . . 4.060 3.348 3.019 3.957 . 0 0 "[ . 1 . 2]" 1
864 1 69 THR H 1 70 VAL H . . 4.500 4.504 4.252 4.573 0.073 18 0 "[ . 1 . 2]" 1
865 1 68 PRO HA 1 69 THR H . . 3.300 2.319 2.163 2.474 . 0 0 "[ . 1 . 2]" 1
866 1 69 THR H 1 69 THR HB . . 3.640 2.377 2.111 2.629 . 0 0 "[ . 1 . 2]" 1
867 1 69 THR H 1 69 THR MG . . 4.050 3.738 3.515 3.857 . 0 0 "[ . 1 . 2]" 1
868 1 68 PRO QB 1 69 THR H . . 3.540 2.857 2.363 3.542 0.002 1 0 "[ . 1 . 2]" 1
869 1 57 ILE MG 1 69 THR H . . 4.680 4.011 3.437 4.569 . 0 0 "[ . 1 . 2]" 1
870 1 131 GLN QB 1 131 GLN HE22 . . 4.550 3.971 3.270 4.501 . 0 0 "[ . 1 . 2]" 1
871 1 147 GLN H 1 147 GLN HE21 . . 3.950 3.633 2.436 4.037 0.087 5 0 "[ . 1 . 2]" 1
872 1 48 PHE HA 1 51 GLY H . . 4.250 3.642 3.034 4.091 . 0 0 "[ . 1 . 2]" 1
873 1 51 GLY H 1 145 VAL MG2 . . 4.950 3.512 2.975 3.903 . 0 0 "[ . 1 . 2]" 1
874 1 45 GLY H 1 46 THR H . . 3.570 2.581 2.191 2.782 . 0 0 "[ . 1 . 2]" 1
875 1 44 GLU HA 1 46 THR H . . 3.880 3.525 3.089 3.685 . 0 0 "[ . 1 . 2]" 1
876 1 43 PRO HG2 1 46 THR H . . 4.260 4.240 3.884 4.338 0.078 9 0 "[ . 1 . 2]" 1
877 1 46 THR H 1 46 THR MG . . 3.700 2.619 2.389 3.125 . 0 0 "[ . 1 . 2]" 1
878 1 51 GLY H 1 145 VAL MG1 . . 4.580 2.818 1.991 3.436 . 0 0 "[ . 1 . 2]" 1
879 1 46 THR H 1 49 GLU HA . . 4.460 4.490 4.182 4.553 0.093 9 0 "[ . 1 . 2]" 1
880 1 84 ASP H 1 85 GLY H . . 4.230 2.874 2.676 3.000 . 0 0 "[ . 1 . 2]" 1
881 1 81 VAL MG1 1 85 GLY H . . 4.400 3.874 3.496 4.360 . 0 0 "[ . 1 . 2]" 1
882 1 80 ASN HA 1 80 ASN QD . . 4.190 3.057 2.309 3.871 . 0 0 "[ . 1 . 2]" 1
883 1 80 ASN QD 1 117 ASN HB2 . . 4.600 3.295 2.257 3.920 . 0 0 "[ . 1 . 2]" 1
884 1 83 ALA HA 1 85 GLY H . . 4.410 3.431 3.078 4.027 . 0 0 "[ . 1 . 2]" 1
885 1 82 TYR HB2 1 85 GLY H . . 4.410 3.699 3.132 4.331 . 0 0 "[ . 1 . 2]" 1
886 1 98 PRO QD 1 99 THR H . . 4.280 3.778 2.864 4.373 0.093 16 0 "[ . 1 . 2]" 1
887 1 97 SER HB3 1 99 THR H . . 4.360 3.227 2.362 4.382 0.022 16 0 "[ . 1 . 2]" 1
888 1 98 PRO HB2 1 99 THR H . . 4.410 4.374 4.058 4.480 0.070 1 0 "[ . 1 . 2]" 1
889 1 99 THR H 1 99 THR MG . . 3.930 2.888 1.850 3.456 . 0 0 "[ . 1 . 2]" 1
890 1 25 SER H 1 26 GLY H . . 4.260 4.331 4.320 4.338 0.078 6 0 "[ . 1 . 2]" 1
891 1 26 GLY H 1 38 ALA HA . . 4.580 4.612 4.534 4.651 0.071 3 0 "[ . 1 . 2]" 1
892 1 16 LEU QD 1 26 GLY H . . 3.930 2.626 2.320 2.800 . 0 0 "[ . 1 . 2]" 1
893 1 33 ILE HA 1 36 TRP HE1 . . 4.830 3.634 3.246 4.161 . 0 0 "[ . 1 . 2]" 1
894 1 28 PRO HA 1 36 TRP HE1 . . 5.010 4.273 3.802 4.506 . 0 0 "[ . 1 . 2]" 1
895 1 96 TRP HE1 1 98 PRO QD . . 4.970 4.464 3.806 5.034 0.064 14 0 "[ . 1 . 2]" 1
896 1 89 LEU H 1 92 LEU HB3 . . 4.760 4.555 4.085 4.833 0.073 1 0 "[ . 1 . 2]" 1
897 1 88 CYS HB2 1 89 LEU H . . 4.890 4.369 3.201 4.688 . 0 0 "[ . 1 . 2]" 1
898 1 36 TRP H 1 57 ILE MD . . 5.170 5.200 4.938 5.269 0.099 16 0 "[ . 1 . 2]" 1
899 1 36 TRP H 1 57 ILE MG . . 5.200 4.621 4.354 5.256 0.056 6 0 "[ . 1 . 2]" 1
900 1 40 ILE HG12 1 41 PHE H . . 4.880 4.510 4.322 4.712 . 0 0 "[ . 1 . 2]" 1
901 1 39 VAL QG 1 41 PHE H . . 5.160 4.264 3.895 4.621 . 0 0 "[ . 1 . 2]" 1
902 1 35 GLN H 1 36 TRP H . . 4.630 4.282 4.107 4.486 . 0 0 "[ . 1 . 2]" 1
903 1 36 TRP H 1 37 ASN HD21 . . 5.180 4.824 3.883 5.248 0.068 5 0 "[ . 1 . 2]" 1
904 1 77 PHE H 1 144 ILE HG12 . . 4.860 4.554 4.017 4.904 0.044 10 0 "[ . 1 . 2]" 1
905 1 48 PHE H 1 49 GLU H . . 3.410 2.353 2.054 2.602 . 0 0 "[ . 1 . 2]" 1
906 1 99 THR MG 1 100 TYR H . . 5.190 3.966 2.752 4.199 . 0 0 "[ . 1 . 2]" 1
907 1 10 MET HG3 1 11 ARG H . . 4.820 4.805 4.442 4.908 0.088 4 0 "[ . 1 . 2]" 1
908 1 100 TYR H 1 101 ASP H . . 4.710 4.609 4.503 4.679 . 0 0 "[ . 1 . 2]" 1
909 1 38 ALA H 1 56 VAL HB . . 4.650 4.670 4.311 4.734 0.084 14 0 "[ . 1 . 2]" 1
910 1 76 MET HB3 1 78 HIS H . . 4.900 4.836 4.374 4.976 0.076 8 0 "[ . 1 . 2]" 1
911 1 12 ASP H 1 102 VAL MG2 . . 5.170 5.219 5.070 5.272 0.102 15 0 "[ . 1 . 2]" 1
912 1 38 ALA H 1 56 VAL H . . 4.460 4.530 4.505 4.552 0.092 8 0 "[ . 1 . 2]" 1
913 1 37 ASN H 1 38 ALA H . . 4.680 4.461 4.360 4.559 . 0 0 "[ . 1 . 2]" 1
914 1 53 PHE QD 1 54 LYS H . . 4.780 4.325 3.967 4.844 0.064 9 0 "[ . 1 . 2]" 1
915 1 112 LEU H 1 113 LEU H . . 3.560 2.783 2.564 2.972 . 0 0 "[ . 1 . 2]" 1
916 1 55 LEU MD2 1 72 PHE H . . 5.070 4.919 3.796 5.155 0.085 4 0 "[ . 1 . 2]" 1
917 1 5 ALA MB 1 8 ARG H . . 4.680 4.566 4.426 4.756 0.076 5 0 "[ . 1 . 2]" 1
918 1 7 ARG H 1 8 ARG H . . 3.920 2.729 2.499 2.895 . 0 0 "[ . 1 . 2]" 1
919 1 72 PHE H 1 85 GLY H . . 4.940 4.909 4.283 5.023 0.083 20 0 "[ . 1 . 2]" 1
920 1 95 ARG HB3 1 96 TRP H . . 4.520 4.233 3.542 4.547 0.027 2 0 "[ . 1 . 2]" 1
921 1 22 VAL H 1 22 VAL MG1 . . 4.240 3.855 3.722 3.958 . 0 0 "[ . 1 . 2]" 1
922 1 141 VAL H 1 142 SER H . . 3.760 2.854 2.729 3.005 . 0 0 "[ . 1 . 2]" 1
923 1 136 GLU H 1 138 GLU H . . 4.720 4.359 4.031 4.712 . 0 0 "[ . 1 . 2]" 1
924 1 136 GLU H 1 137 TYR HB2 . . 4.930 4.413 4.074 4.835 . 0 0 "[ . 1 . 2]" 1
925 1 33 ILE HA 1 35 GLN H . . 4.630 3.888 3.297 4.200 . 0 0 "[ . 1 . 2]" 1
926 1 35 GLN H 1 35 GLN HB2 . . 3.840 2.673 2.380 2.984 . 0 0 "[ . 1 . 2]" 1
927 1 27 ALA H 1 37 ASN HB3 . . 4.710 4.850 4.740 5.433 0.723 6 2 "[ - .+ 1 . 2]" 1
928 1 27 ALA H 1 37 ASN H . . 3.910 3.176 3.002 3.324 . 0 0 "[ . 1 . 2]" 1
929 1 127 ALA H 1 128 GLN H . . 3.670 2.684 2.552 2.817 . 0 0 "[ . 1 . 2]" 1
930 1 129 LEU H 1 131 GLN H . . 4.500 4.386 4.276 4.494 . 0 0 "[ . 1 . 2]" 1
931 1 129 LEU H 1 130 TYR H . . 3.630 2.852 2.750 2.958 . 0 0 "[ . 1 . 2]" 1
932 1 112 LEU MD1 1 115 GLU H . . 5.090 4.485 4.148 4.784 . 0 0 "[ . 1 . 2]" 1
933 1 135 ARG H 1 135 ARG QG . . 3.960 2.931 2.078 4.040 0.080 4 0 "[ . 1 . 2]" 1
934 1 65 ASN HB3 1 66 LYS H . . 4.040 3.073 2.490 4.112 0.072 10 0 "[ . 1 . 2]" 1
935 1 91 ILE MG 1 95 ARG H . . 5.230 4.861 4.344 5.310 0.080 17 0 "[ . 1 . 2]" 1
936 1 105 ILE HB 1 106 LEU H . . 4.720 2.474 2.317 2.724 . 0 0 "[ . 1 . 2]" 1
937 1 102 VAL MG1 1 104 SER H . . 5.370 5.276 5.061 5.434 0.064 10 0 "[ . 1 . 2]" 1
938 1 18 GLU H 1 19 ASP H . . 3.140 2.417 1.987 2.662 . 0 0 "[ . 1 . 2]" 1
939 1 25 SER H 1 38 ALA MB . . 4.980 4.126 3.897 4.293 . 0 0 "[ . 1 . 2]" 1
940 1 79 PRO HD3 1 80 ASN H . . 4.730 4.045 3.704 4.298 . 0 0 "[ . 1 . 2]" 1
941 1 46 THR MG 1 114 ASP H . . 5.120 3.894 3.363 4.498 . 0 0 "[ . 1 . 2]" 1
942 1 43 PRO HG3 1 114 ASP H . . 4.790 4.746 3.880 4.873 0.083 7 0 "[ . 1 . 2]" 1
943 1 22 VAL MG2 1 23 GLY H . . 5.040 4.063 3.764 4.260 . 0 0 "[ . 1 . 2]" 1
944 1 111 SER H 1 112 LEU HB3 . . 4.740 4.775 4.600 5.059 0.319 4 0 "[ . 1 . 2]" 1
945 1 111 SER H 1 113 LEU MD1 . . 5.310 5.300 5.007 5.418 0.108 13 0 "[ . 1 . 2]" 1
946 1 37 ASN HD22 1 56 VAL HB . . 4.980 4.187 3.173 5.047 0.067 5 0 "[ . 1 . 2]" 1
947 1 29 SER HA 1 37 ASN HD21 . . 4.830 3.714 2.966 4.907 0.077 1 0 "[ . 1 . 2]" 1
948 1 37 ASN HD21 1 56 VAL MG2 . . 5.500 3.752 2.289 4.807 . 0 0 "[ . 1 . 2]" 1
949 1 47 PRO HB3 1 48 PHE H . . 4.690 4.504 4.435 4.562 . 0 0 "[ . 1 . 2]" 1
950 1 123 ASN HD22 1 126 ALA MB . . 5.410 3.396 2.381 4.877 . 0 0 "[ . 1 . 2]" 1
951 1 45 GLY H 1 49 GLU HG2 . . 4.300 4.066 3.128 4.375 0.075 7 0 "[ . 1 . 2]" 1
952 1 45 GLY H 1 46 THR MG . . 5.260 4.620 4.276 4.892 . 0 0 "[ . 1 . 2]" 1
953 1 45 GLY H 1 49 GLU HA . . 5.240 5.169 4.816 5.313 0.073 14 0 "[ . 1 . 2]" 1
954 1 23 GLY HA3 1 110 GLN HE22 . . 4.830 2.617 1.791 4.387 . 0 0 "[ . 1 . 2]" 1
955 1 23 GLY HA3 1 110 GLN HE21 . . 5.080 3.355 2.709 4.410 . 0 0 "[ . 1 . 2]" 1
956 1 131 GLN HE21 1 132 GLU QG . . 5.270 3.539 1.898 4.958 . 0 0 "[ . 1 . 2]" 1
957 1 72 PHE HB3 1 85 GLY H . . 5.190 5.272 5.259 5.279 0.089 20 0 "[ . 1 . 2]" 1
958 1 83 ALA MB 1 85 GLY H . . 5.060 4.250 4.066 4.429 . 0 0 "[ . 1 . 2]" 1
959 1 98 PRO HB3 1 99 THR H . . 4.710 4.621 4.341 4.774 0.064 13 0 "[ . 1 . 2]" 1
960 1 97 SER HB2 1 99 THR H . . 4.730 4.370 3.550 4.800 0.070 8 0 "[ . 1 . 2]" 1
961 1 24 VAL MG2 1 26 GLY H . . 5.090 5.147 5.002 5.188 0.098 4 0 "[ . 1 . 2]" 1
962 1 16 LEU HG 1 26 GLY H . . 4.780 4.321 3.863 4.715 . 0 0 "[ . 1 . 2]" 1
963 1 25 SER HB3 1 26 GLY H . . 3.890 2.878 2.422 4.181 0.291 14 0 "[ . 1 . 2]" 1
964 1 37 ASN H 1 37 ASN HD22 . . 4.840 4.606 4.133 4.908 0.068 14 0 "[ . 1 . 2]" 1
965 1 77 PHE HB2 1 78 HIS H . . 4.810 4.449 4.282 4.610 . 0 0 "[ . 1 . 2]" 1
966 1 55 LEU MD2 1 56 VAL H . . 5.370 3.926 3.779 4.106 . 0 0 "[ . 1 . 2]" 1
967 1 109 ILE MD 1 110 GLN H . . 5.010 4.504 4.333 4.728 . 0 0 "[ . 1 . 2]" 1
968 1 9 LEU HA 1 13 PHE H . . 4.430 3.746 3.612 3.896 . 0 0 "[ . 1 . 2]" 1
969 1 19 ASP HA 1 20 PRO HD3 . . 3.820 2.968 2.439 3.314 . 0 0 "[ . 1 . 2]" 1
970 1 19 ASP HA 1 20 PRO HD2 . . 3.660 2.416 2.252 2.802 . 0 0 "[ . 1 . 2]" 1
971 1 46 THR MG 1 47 PRO HD2 . . 4.270 3.475 3.266 3.716 . 0 0 "[ . 1 . 2]" 1
972 1 46 THR HA 1 47 PRO HD2 . . 3.750 2.826 2.560 3.191 . 0 0 "[ . 1 . 2]" 1
973 1 46 THR HA 1 47 PRO HD3 . . 3.780 2.450 2.385 2.549 . 0 0 "[ . 1 . 2]" 1
974 1 46 THR HB 1 47 PRO HD3 . . 3.970 3.201 2.824 3.485 . 0 0 "[ . 1 . 2]" 1
975 1 20 PRO HA 1 21 PRO HD2 . . 3.880 2.262 2.106 2.397 . 0 0 "[ . 1 . 2]" 1
976 1 120 SER HA 1 121 PRO HD3 . . 3.740 2.726 2.459 2.996 . 0 0 "[ . 1 . 2]" 1
977 1 55 LEU MD1 1 72 PHE HA . . 4.490 3.996 3.453 4.344 . 0 0 "[ . 1 . 2]" 1
978 1 55 LEU MD1 1 109 ILE MG . . 4.790 3.714 3.348 4.079 . 0 0 "[ . 1 . 2]" 1
979 1 55 LEU MD1 1 57 ILE MD . . 4.750 4.605 4.199 4.874 0.124 14 0 "[ . 1 . 2]" 1
980 1 55 LEU MD1 1 109 ILE MD . . 4.560 4.021 3.803 4.246 . 0 0 "[ . 1 . 2]" 1
981 1 38 ALA MB 1 55 LEU MD1 . . 3.990 3.510 3.243 4.005 0.015 14 0 "[ . 1 . 2]" 1
982 1 51 GLY HA3 1 145 VAL MG1 . . 4.430 2.251 2.018 2.966 . 0 0 "[ . 1 . 2]" 1
983 1 16 LEU QD 1 25 SER HA . . 4.220 3.476 3.237 3.587 . 0 0 "[ . 1 . 2]" 1
984 1 24 VAL MG2 1 106 LEU MD1 . . 4.270 2.882 2.421 3.140 . 0 0 "[ . 1 . 2]" 1
985 1 102 VAL MG1 1 106 LEU MD1 . . 4.080 2.492 2.303 2.993 . 0 0 "[ . 1 . 2]" 1
986 1 129 LEU HA 1 129 LEU QD . . 3.430 2.068 1.955 2.124 . 0 0 "[ . 1 . 2]" 1
987 1 125 GLN HG3 1 129 LEU QD . . 4.560 3.664 2.934 4.083 . 0 0 "[ . 1 . 2]" 1
988 1 70 VAL HB 1 92 LEU MD1 . . 4.310 3.410 2.943 3.873 . 0 0 "[ . 1 . 2]" 1
989 1 89 LEU MD2 1 92 LEU MD2 . . 4.460 3.166 2.519 3.507 . 0 0 "[ . 1 . 2]" 1
990 1 89 LEU MD2 1 108 SER HB2 . . 4.480 3.306 2.631 4.240 . 0 0 "[ . 1 . 2]" 1
991 1 87 ILE MG 1 89 LEU MD2 . . 4.440 3.242 2.749 3.764 . 0 0 "[ . 1 . 2]" 1
992 1 105 ILE MG 1 106 LEU MD1 . . 4.640 4.515 3.860 4.757 0.117 14 0 "[ . 1 . 2]" 1
993 1 9 LEU MD1 1 33 ILE MG . . 4.310 3.135 2.551 3.959 . 0 0 "[ . 1 . 2]" 1
994 1 9 LEU MD1 1 33 ILE HG12 . . 4.680 3.473 2.252 4.643 . 0 0 "[ . 1 . 2]" 1
995 1 129 LEU QD 1 140 ARG HD3 . . 4.380 3.806 2.503 4.447 0.067 14 0 "[ . 1 . 2]" 1
996 1 125 GLN HG2 1 129 LEU QD . . 4.620 3.251 2.612 3.798 . 0 0 "[ . 1 . 2]" 1
997 1 56 VAL MG1 1 73 LEU MD1 . . 3.840 2.981 2.459 3.283 . 0 0 "[ . 1 . 2]" 1
998 1 73 LEU HB3 1 73 LEU MD1 . . 3.610 2.322 2.288 2.358 . 0 0 "[ . 1 . 2]" 1
999 1 89 LEU MD2 1 92 LEU HG . . 4.000 2.151 2.027 2.280 . 0 0 "[ . 1 . 2]" 1
1000 1 89 LEU MD2 1 109 ILE HG12 . . 4.510 3.579 2.857 3.991 . 0 0 "[ . 1 . 2]" 1
1001 1 89 LEU MD2 1 108 SER HB3 . . 4.480 2.722 2.069 3.385 . 0 0 "[ . 1 . 2]" 1
1002 1 89 LEU MD2 1 92 LEU HA . . 4.760 4.845 4.806 4.862 0.102 3 0 "[ . 1 . 2]" 1
1003 1 89 LEU HA 1 89 LEU MD2 . . 4.450 3.925 3.886 4.005 . 0 0 "[ . 1 . 2]" 1
1004 1 112 LEU HA 1 112 LEU MD2 . . 4.050 3.982 3.793 4.120 0.070 10 0 "[ . 1 . 2]" 1
1005 1 16 LEU QD 1 20 PRO HA . . 3.830 2.291 2.025 2.711 . 0 0 "[ . 1 . 2]" 1
1006 1 16 LEU QD 1 24 VAL MG2 . . 4.260 4.097 3.893 4.211 . 0 0 "[ . 1 . 2]" 1
1007 1 16 LEU QD 1 21 PRO HD3 . . 4.560 2.209 2.090 2.544 . 0 0 "[ . 1 . 2]" 1
1008 1 38 ALA MB 1 55 LEU MD2 . . 4.470 3.565 3.109 3.967 . 0 0 "[ . 1 . 2]" 1
1009 1 38 ALA MB 1 106 LEU MD1 . . 4.060 2.158 2.034 2.383 . 0 0 "[ . 1 . 2]" 1
1010 1 112 LEU MD1 1 116 PRO HA . . 3.990 2.216 1.958 2.486 . 0 0 "[ . 1 . 2]" 1
1011 1 112 LEU HA 1 112 LEU MD1 . . 3.730 2.349 2.052 2.603 . 0 0 "[ . 1 . 2]" 1
1012 1 89 LEU MD1 1 91 ILE MD . . 4.520 3.959 3.449 4.468 . 0 0 "[ . 1 . 2]" 1
1013 1 91 ILE HA 1 95 ARG HB2 . . 4.090 2.588 2.051 3.605 . 0 0 "[ . 1 . 2]" 1
1014 1 144 ILE MD 1 145 VAL MG2 . . 4.210 4.039 2.485 4.357 0.147 13 0 "[ . 1 . 2]" 1
1015 1 145 VAL HA 1 145 VAL MG2 . . 3.750 2.307 2.205 2.362 . 0 0 "[ . 1 . 2]" 1
1016 1 141 VAL MG1 1 145 VAL MG2 . . 3.910 2.181 1.962 2.741 . 0 0 "[ . 1 . 2]" 1
1017 1 48 PHE HA 1 145 VAL MG2 . . 3.580 2.387 2.003 2.799 . 0 0 "[ . 1 . 2]" 1
1018 1 51 GLY HA3 1 145 VAL MG2 . . 4.400 2.508 2.092 3.188 . 0 0 "[ . 1 . 2]" 1
1019 1 89 LEU HA 1 89 LEU MD1 . . 3.550 2.188 2.089 2.257 . 0 0 "[ . 1 . 2]" 1
1020 1 12 ASP HB2 1 102 VAL MG2 . . 4.570 3.535 3.369 3.932 . 0 0 "[ . 1 . 2]" 1
1021 1 102 VAL HA 1 102 VAL MG2 . . 3.630 2.457 2.357 2.571 . 0 0 "[ . 1 . 2]" 1
1022 1 138 GLU HA 1 141 VAL MG2 . . 4.310 3.281 2.714 3.749 . 0 0 "[ . 1 . 2]" 1
1023 1 21 PRO HG2 1 107 THR MG . . 4.160 4.015 3.472 4.245 0.085 7 0 "[ . 1 . 2]" 1
1024 1 107 THR HA 1 107 THR MG . . 3.390 2.308 2.238 2.356 . 0 0 "[ . 1 . 2]" 1
1025 1 73 LEU HA 1 73 LEU MD2 . . 3.060 2.181 2.120 2.261 . 0 0 "[ . 1 . 2]" 1
1026 1 24 VAL HA 1 24 VAL MG1 . . 3.590 2.366 2.282 2.434 . 0 0 "[ . 1 . 2]" 1
1027 1 24 VAL MG1 1 106 LEU MD1 . . 4.140 4.122 3.932 4.239 0.099 5 0 "[ . 1 . 2]" 1
1028 1 56 VAL MG1 1 73 LEU MD2 . . 3.410 1.988 1.899 2.133 . 0 0 "[ . 1 . 2]" 1
1029 1 24 VAL MG1 1 40 ILE MG . . 3.840 1.985 1.921 2.057 . 0 0 "[ . 1 . 2]" 1
1030 1 24 VAL MG1 1 40 ILE HA . . 4.330 2.289 2.093 2.533 . 0 0 "[ . 1 . 2]" 1
1031 1 24 VAL MG1 1 106 LEU MD2 . . 3.920 3.204 3.042 3.392 . 0 0 "[ . 1 . 2]" 1
1032 1 40 ILE MG 1 106 LEU MD2 . . 4.480 4.057 3.851 4.350 . 0 0 "[ . 1 . 2]" 1
1033 1 40 ILE MD 1 106 LEU MD2 . . 4.170 2.187 2.076 2.557 . 0 0 "[ . 1 . 2]" 1
1034 1 38 ALA MB 1 106 LEU MD2 . . 3.780 1.941 1.871 2.017 . 0 0 "[ . 1 . 2]" 1
1035 1 55 LEU MD1 1 70 VAL MG1 . . 4.270 4.239 4.000 4.366 0.096 20 0 "[ . 1 . 2]" 1
1036 1 70 VAL MG1 1 87 ILE MD . . 3.850 2.109 1.994 2.292 . 0 0 "[ . 1 . 2]" 1
1037 1 70 VAL HA 1 70 VAL MG1 . . 3.700 2.302 2.200 2.361 . 0 0 "[ . 1 . 2]" 1
1038 1 70 VAL MG1 1 109 ILE MD . . 4.050 2.116 1.960 2.287 . 0 0 "[ . 1 . 2]" 1
1039 1 57 ILE HA 1 70 VAL MG1 . . 4.500 3.198 2.920 3.503 . 0 0 "[ . 1 . 2]" 1
1040 1 21 PRO HB3 1 107 THR MG . . 3.750 2.984 2.716 3.455 . 0 0 "[ . 1 . 2]" 1
1041 1 43 PRO HG3 1 46 THR MG . . 4.310 3.239 2.861 3.576 . 0 0 "[ . 1 . 2]" 1
1042 1 46 THR HA 1 46 THR MG . . 3.730 2.352 2.287 2.413 . 0 0 "[ . 1 . 2]" 1
1043 1 43 PRO HG2 1 46 THR MG . . 4.030 2.060 1.963 2.410 . 0 0 "[ . 1 . 2]" 1
1044 1 46 THR MG 1 114 ASP HA . . 3.750 2.356 2.157 2.908 . 0 0 "[ . 1 . 2]" 1
1045 1 3 THR MG 1 4 PRO HD2 . . 4.470 3.117 2.070 4.077 . 0 0 "[ . 1 . 2]" 1
1046 1 91 ILE MG 1 92 LEU MD2 . . 4.830 4.863 4.402 4.962 0.132 19 0 "[ . 1 . 2]" 1
1047 1 92 LEU HA 1 92 LEU MD2 . . 3.720 2.126 2.016 2.402 . 0 0 "[ . 1 . 2]" 1
1048 1 92 LEU MD2 1 105 ILE MD . . 4.510 3.265 2.316 3.949 . 0 0 "[ . 1 . 2]" 1
1049 1 57 ILE MD 1 106 LEU MD2 . . 4.030 2.844 2.399 3.570 . 0 0 "[ . 1 . 2]" 1
1050 1 57 ILE MD 1 70 VAL MG1 . . 4.800 2.075 1.984 2.236 . 0 0 "[ . 1 . 2]" 1
1051 1 75 LYS HA 1 75 LYS QE . . 4.270 3.951 3.155 4.364 0.094 9 0 "[ . 1 . 2]" 1
1052 1 46 THR MG 1 114 ASP HB2 . . 4.490 2.568 2.156 3.071 . 0 0 "[ . 1 . 2]" 1
1053 1 22 VAL HA 1 22 VAL MG2 . . 3.180 2.461 2.215 2.650 . 0 0 "[ . 1 . 2]" 1
1054 1 69 THR HA 1 69 THR MG . . 3.360 2.505 2.288 2.732 . 0 0 "[ . 1 . 2]" 1
1055 1 25 SER HB2 1 39 VAL QG . . 4.410 3.821 2.823 5.220 0.810 14 1 "[ . 1 +. 2]" 1
1056 1 39 VAL QG 1 54 LYS HA . . 3.770 2.718 2.374 3.084 . 0 0 "[ . 1 . 2]" 1
1057 1 39 VAL QG 1 54 LYS HG3 . . 3.980 2.666 2.130 4.078 0.098 20 0 "[ . 1 . 2]" 1
1058 1 39 VAL QG 1 54 LYS QD . . 4.180 3.254 1.862 3.980 . 0 0 "[ . 1 . 2]" 1
1059 1 39 VAL QG 1 54 LYS QE . . 3.960 3.038 2.375 3.939 . 0 0 "[ . 1 . 2]" 1
1060 1 70 VAL MG2 1 92 LEU MD2 . . 4.040 3.528 2.985 4.116 0.076 14 0 "[ . 1 . 2]" 1
1061 1 70 VAL MG2 1 87 ILE MG . . 4.670 3.907 3.313 4.353 . 0 0 "[ . 1 . 2]" 1
1062 1 57 ILE MD 1 70 VAL MG2 . . 4.450 2.271 2.137 2.372 . 0 0 "[ . 1 . 2]" 1
1063 1 56 VAL MG2 1 71 ARG QG . . 4.640 4.045 3.039 4.548 . 0 0 "[ . 1 . 2]" 1
1064 1 56 VAL MG2 1 73 LEU HG . . 4.420 4.362 4.059 4.515 0.095 17 0 "[ . 1 . 2]" 1
1065 1 35 GLN HG3 1 56 VAL MG2 . . 3.880 2.373 2.139 2.697 . 0 0 "[ . 1 . 2]" 1
1066 1 81 VAL HA 1 81 VAL MG2 . . 3.740 2.300 2.219 2.354 . 0 0 "[ . 1 . 2]" 1
1067 1 78 HIS HB3 1 81 VAL MG2 . . 4.590 2.145 2.020 2.277 . 0 0 "[ . 1 . 2]" 1
1068 1 9 LEU HA 1 9 LEU MD2 . . 3.710 2.120 2.000 2.306 . 0 0 "[ . 1 . 2]" 1
1069 1 52 THR HA 1 52 THR MG . . 3.450 2.692 2.221 3.289 . 0 0 "[ . 1 . 2]" 1
1070 1 39 VAL QG 1 52 THR HB . . 3.860 3.192 2.105 3.911 0.051 10 0 "[ . 1 . 2]" 1
1071 1 39 VAL QG 1 52 THR HA . . 4.330 3.938 3.441 4.331 0.001 7 0 "[ . 1 . 2]" 1
1072 1 48 PHE HA 1 141 VAL MG1 . . 4.620 3.141 2.734 3.544 . 0 0 "[ . 1 . 2]" 1
1073 1 47 PRO HB2 1 141 VAL MG1 . . 4.420 2.163 2.078 2.297 . 0 0 "[ . 1 . 2]" 1
1074 1 140 ARG HB3 1 144 ILE MG . . 3.940 3.818 3.216 4.047 0.107 13 0 "[ . 1 . 2]" 1
1075 1 76 MET HA 1 144 ILE MG . . 4.100 3.674 2.969 4.199 0.099 13 0 "[ . 1 . 2]" 1
1076 1 56 VAL MG1 1 73 LEU HG . . 4.030 2.348 2.114 2.587 . 0 0 "[ . 1 . 2]" 1
1077 1 56 VAL MG1 1 58 GLU QG . . 4.070 3.350 2.766 4.166 0.096 16 0 "[ . 1 . 2]" 1
1078 1 35 GLN HG2 1 56 VAL MG1 . . 4.190 4.261 4.036 4.294 0.104 10 0 "[ . 1 . 2]" 1
1079 1 35 GLN HG3 1 56 VAL MG1 . . 4.260 4.254 4.005 4.363 0.103 6 0 "[ . 1 . 2]" 1
1080 1 21 PRO HG3 1 24 VAL MG2 . . 4.090 2.605 2.318 3.411 . 0 0 "[ . 1 . 2]" 1
1081 1 21 PRO HB2 1 24 VAL MG2 . . 3.890 2.481 2.264 2.768 . 0 0 "[ . 1 . 2]" 1
1082 1 21 PRO HG2 1 24 VAL MG2 . . 4.260 2.369 2.155 2.551 . 0 0 "[ . 1 . 2]" 1
1083 1 24 VAL MG2 1 107 THR MG . . 3.920 2.107 1.971 2.273 . 0 0 "[ . 1 . 2]" 1
1084 1 24 VAL HA 1 24 VAL MG2 . . 3.620 3.287 3.274 3.302 . 0 0 "[ . 1 . 2]" 1
1085 1 21 PRO HB3 1 24 VAL MG2 . . 3.990 3.590 3.363 4.015 0.025 3 0 "[ . 1 . 2]" 1
1086 1 51 GLY HA2 1 145 VAL MG1 . . 3.950 2.562 1.984 3.360 . 0 0 "[ . 1 . 2]" 1
1087 1 142 SER HA 1 145 VAL MG1 . . 4.350 3.949 3.343 4.409 0.059 10 0 "[ . 1 . 2]" 1
1088 1 11 ARG HA 1 11 ARG QD . . 4.210 3.307 2.072 4.089 . 0 0 "[ . 1 . 2]" 1
1089 1 57 ILE HA 1 57 ILE MG . . 3.690 2.220 2.124 2.284 . 0 0 "[ . 1 . 2]" 1
1090 1 57 ILE MD 1 57 ILE MG . . 3.600 2.278 2.171 2.344 . 0 0 "[ . 1 . 2]" 1
1091 1 57 ILE MG 1 70 VAL MG1 . . 4.330 3.437 3.228 3.588 . 0 0 "[ . 1 . 2]" 1
1092 1 57 ILE MG 1 70 VAL HA . . 4.340 3.268 2.929 3.633 . 0 0 "[ . 1 . 2]" 1
1093 1 15 ARG HA 1 15 ARG QG . . 3.730 2.332 2.108 2.607 . 0 0 "[ . 1 . 2]" 1
1094 1 125 GLN HA 1 125 GLN HG2 . . 3.880 3.206 3.000 3.419 . 0 0 "[ . 1 . 2]" 1
1095 1 135 ARG HA 1 135 ARG QG . . 3.440 2.635 2.194 3.533 0.093 20 0 "[ . 1 . 2]" 1
1096 1 135 ARG HA 1 135 ARG QD . . 3.970 3.222 2.082 4.005 0.035 8 0 "[ . 1 . 2]" 1
1097 1 128 GLN HA 1 128 GLN HG2 . . 3.720 3.358 3.008 3.695 . 0 0 "[ . 1 . 2]" 1
1098 1 41 PHE HA 1 52 THR HA . . 3.720 2.498 2.097 3.571 . 0 0 "[ . 1 . 2]" 1
1099 1 87 ILE MG 1 89 LEU MD1 . . 4.170 3.599 2.973 4.035 . 0 0 "[ . 1 . 2]" 1
1100 1 87 ILE MG 1 92 LEU MD1 . . 4.530 2.612 2.137 3.366 . 0 0 "[ . 1 . 2]" 1
1101 1 109 ILE HA 1 109 ILE MG . . 3.690 2.373 2.211 2.455 . 0 0 "[ . 1 . 2]" 1
1102 1 55 LEU MD2 1 109 ILE MG . . 4.220 2.458 2.106 2.788 . 0 0 "[ . 1 . 2]" 1
1103 1 109 ILE MD 1 109 ILE MG . . 3.690 2.101 2.020 2.154 . 0 0 "[ . 1 . 2]" 1
1104 1 91 ILE MG 1 95 ARG HB3 . . 4.530 2.718 2.148 3.543 . 0 0 "[ . 1 . 2]" 1
1105 1 89 LEU MD1 1 91 ILE MG . . 4.400 4.230 3.751 4.505 0.105 4 0 "[ . 1 . 2]" 1
1106 1 91 ILE MD 1 91 ILE MG . . 3.540 2.140 2.032 2.278 . 0 0 "[ . 1 . 2]" 1
1107 1 91 ILE HA 1 91 ILE MG . . 3.340 2.277 2.148 2.371 . 0 0 "[ . 1 . 2]" 1
1108 1 91 ILE MG 1 95 ARG HB2 . . 4.320 3.232 2.263 4.238 . 0 0 "[ . 1 . 2]" 1
1109 1 89 LEU MD2 1 91 ILE MG . . 4.470 3.950 3.681 4.171 . 0 0 "[ . 1 . 2]" 1
1110 1 80 ASN HA 1 122 ALA MB . . 4.310 2.365 2.084 2.746 . 0 0 "[ . 1 . 2]" 1
1111 1 8 ARG HA 1 8 ARG HD3 . . 4.240 3.436 2.199 4.323 0.083 14 0 "[ . 1 . 2]" 1
1112 1 140 ARG HA 1 140 ARG QG . . 3.940 2.346 2.067 2.689 . 0 0 "[ . 1 . 2]" 1
1113 1 142 SER QB 1 143 ALA MB . . 4.720 3.711 3.464 3.908 . 0 0 "[ . 1 . 2]" 1
1114 1 24 VAL MG2 1 40 ILE MG . . 4.210 4.338 4.294 4.362 0.152 4 0 "[ . 1 . 2]" 1
1115 1 40 ILE MG 1 110 GLN HG2 . . 4.280 3.858 3.468 4.375 0.095 8 0 "[ . 1 . 2]" 1
1116 1 40 ILE MG 1 110 GLN HA . . 3.840 2.461 2.209 2.775 . 0 0 "[ . 1 . 2]" 1
1117 1 40 ILE HA 1 40 ILE MG . . 3.690 2.475 2.393 2.551 . 0 0 "[ . 1 . 2]" 1
1118 1 40 ILE MG 1 113 LEU MD1 . . 4.080 2.345 2.027 2.645 . 0 0 "[ . 1 . 2]" 1
1119 1 40 ILE MG 1 113 LEU MD2 . . 4.800 4.232 3.647 4.868 0.068 9 0 "[ . 1 . 2]" 1
1120 1 40 ILE MG 1 110 GLN HG3 . . 4.380 2.971 2.230 4.163 . 0 0 "[ . 1 . 2]" 1
1121 1 9 LEU MD1 1 34 MET ME . . 3.730 2.034 1.857 2.567 . 0 0 "[ . 1 . 2]" 1
1122 1 34 MET HB3 1 34 MET ME . . 4.330 3.868 3.239 4.217 . 0 0 "[ . 1 . 2]" 1
1123 1 33 ILE MG 1 34 MET ME . . 4.150 3.077 2.234 3.690 . 0 0 "[ . 1 . 2]" 1
1124 1 34 MET ME 1 59 PHE HB3 . . 4.380 3.322 2.471 4.056 . 0 0 "[ . 1 . 2]" 1
1125 1 34 MET ME 1 59 PHE HB2 . . 4.400 3.072 2.110 4.106 . 0 0 "[ . 1 . 2]" 1
1126 1 34 MET ME 1 61 GLU HG3 . . 4.830 3.860 3.021 4.921 0.091 10 0 "[ . 1 . 2]" 1
1127 1 10 MET HG2 1 33 ILE MG . . 4.600 4.762 4.207 5.487 0.887 14 4 "[ . 1 *+. -*2]" 1
1128 1 92 LEU MD2 1 105 ILE MG . . 4.050 2.736 2.269 3.464 . 0 0 "[ . 1 . 2]" 1
1129 1 58 GLU HA 1 58 GLU QG . . 3.650 2.345 2.131 2.711 . 0 0 "[ . 1 . 2]" 1
1130 1 123 ASN QB 1 126 ALA MB . . 4.350 2.850 2.180 3.817 . 0 0 "[ . 1 . 2]" 1
1131 1 79 PRO HA 1 126 ALA MB . . 4.110 1.966 1.889 2.062 . 0 0 "[ . 1 . 2]" 1
1132 1 87 ILE MD 1 87 ILE MG . . 3.850 2.154 2.090 2.230 . 0 0 "[ . 1 . 2]" 1
1133 1 70 VAL HB 1 87 ILE MD . . 4.020 2.277 2.120 2.525 . 0 0 "[ . 1 . 2]" 1
1134 1 89 LEU MD2 1 109 ILE MD . . 4.250 4.230 3.580 4.375 0.125 15 0 "[ . 1 . 2]" 1
1135 1 106 LEU MD2 1 109 ILE MD . . 4.100 2.814 2.469 3.021 . 0 0 "[ . 1 . 2]" 1
1136 1 55 LEU MD2 1 109 ILE MD . . 4.300 2.295 2.094 2.409 . 0 0 "[ . 1 . 2]" 1
1137 1 105 ILE MG 1 109 ILE MD . . 3.720 2.447 2.177 2.892 . 0 0 "[ . 1 . 2]" 1
1138 1 55 LEU MD2 1 87 ILE MD . . 4.290 2.476 2.178 2.897 . 0 0 "[ . 1 . 2]" 1
1139 1 35 GLN HA 1 58 GLU HA . . 3.550 2.780 2.576 3.221 . 0 0 "[ . 1 . 2]" 1
1140 1 35 GLN HA 1 35 GLN HG2 . . 4.050 3.132 2.894 3.485 . 0 0 "[ . 1 . 2]" 1
1141 1 24 VAL MG1 1 40 ILE MD . . 4.280 2.925 2.698 3.140 . 0 0 "[ . 1 . 2]" 1
1142 1 40 ILE MD 1 55 LEU MD2 . . 4.090 2.448 2.165 3.066 . 0 0 "[ . 1 . 2]" 1
1143 1 40 ILE MD 1 109 ILE MD . . 4.460 2.576 2.282 2.886 . 0 0 "[ . 1 . 2]" 1
1144 1 40 ILE MD 1 109 ILE MG . . 3.710 2.263 2.027 2.541 . 0 0 "[ . 1 . 2]" 1
1145 1 40 ILE MD 1 113 LEU MD2 . . 4.690 4.279 3.714 4.721 0.031 10 0 "[ . 1 . 2]" 1
1146 1 40 ILE MD 1 110 GLN HA . . 4.300 3.202 2.761 3.783 . 0 0 "[ . 1 . 2]" 1
1147 1 40 ILE MD 1 40 ILE MG . . 3.500 2.012 1.975 2.037 . 0 0 "[ . 1 . 2]" 1
1148 1 40 ILE MD 1 109 ILE HB . . 3.980 2.104 1.966 2.247 . 0 0 "[ . 1 . 2]" 1
1149 1 95 ARG HA 1 95 ARG HG3 . . 3.740 3.321 2.125 3.791 0.051 11 0 "[ . 1 . 2]" 1
1150 1 33 ILE MD 1 33 ILE MG . . 3.640 2.862 2.107 3.280 . 0 0 "[ . 1 . 2]" 1
1151 1 9 LEU MD2 1 33 ILE MD . . 4.980 4.410 3.594 5.052 0.072 16 0 "[ . 1 . 2]" 1
1152 1 9 LEU MD1 1 33 ILE MD . . 4.320 3.852 3.050 4.422 0.102 2 0 "[ . 1 . 2]" 1
1153 1 24 VAL MG2 1 40 ILE MD . . 4.810 4.489 4.257 4.684 . 0 0 "[ . 1 . 2]" 1
1154 1 40 ILE MD 1 113 LEU MD1 . . 4.380 3.190 2.638 3.733 . 0 0 "[ . 1 . 2]" 1
1155 1 102 VAL MG2 1 105 ILE MD . . 4.810 3.569 2.816 4.597 . 0 0 "[ . 1 . 2]" 1
1156 1 102 VAL HA 1 105 ILE MD . . 3.770 2.563 1.974 3.829 0.059 9 0 "[ . 1 . 2]" 1
1157 1 105 ILE MD 1 105 ILE MG . . 3.560 2.087 1.995 2.240 . 0 0 "[ . 1 . 2]" 1
1158 1 89 LEU MD2 1 91 ILE MD . . 4.010 2.408 2.213 2.695 . 0 0 "[ . 1 . 2]" 1
1159 1 91 ILE HA 1 91 ILE MD . . 4.340 4.193 4.131 4.227 . 0 0 "[ . 1 . 2]" 1
1160 1 91 ILE MD 1 108 SER HB2 . . 4.120 3.333 2.670 3.888 . 0 0 "[ . 1 . 2]" 1
1161 1 91 ILE MD 1 92 LEU MD2 . . 4.670 3.414 2.546 4.030 . 0 0 "[ . 1 . 2]" 1
1162 1 91 ILE MD 1 108 SER HB3 . . 4.270 3.295 2.699 3.837 . 0 0 "[ . 1 . 2]" 1
1163 1 55 LEU MD2 1 57 ILE MD . . 4.950 3.434 3.058 3.737 . 0 0 "[ . 1 . 2]" 1
1164 1 38 ALA MB 1 57 ILE MD . . 3.750 2.266 2.049 2.691 . 0 0 "[ . 1 . 2]" 1
1165 1 57 ILE HA 1 57 ILE MD . . 4.440 2.655 2.490 2.745 . 0 0 "[ . 1 . 2]" 1
1166 1 115 GLU HA 1 116 PRO HD2 . . 3.840 2.124 2.059 2.211 . 0 0 "[ . 1 . 2]" 1
1167 1 75 LYS HB3 1 144 ILE MD . . 4.370 4.243 3.839 4.869 0.499 2 0 "[ . 1 . 2]" 1
1168 1 144 ILE MD 1 144 ILE MG . . 3.690 1.948 1.904 2.004 . 0 0 "[ . 1 . 2]" 1
1169 1 141 VAL MG1 1 144 ILE MD . . 4.390 4.076 2.458 4.521 0.131 10 0 "[ . 1 . 2]" 1
1170 1 144 ILE HA 1 144 ILE MD . . 3.690 3.759 3.691 3.829 0.139 14 0 "[ . 1 . 2]" 1
1171 1 140 ARG HB3 1 144 ILE MD . . 3.930 4.027 4.001 4.041 0.111 14 0 "[ . 1 . 2]" 1
1172 1 76 MET ME 1 113 LEU MD2 . . 3.870 2.184 1.889 2.622 . 0 0 "[ . 1 . 2]" 1
1173 1 76 MET ME 1 81 VAL MG2 . . 4.580 4.041 2.753 4.685 0.105 11 0 "[ . 1 . 2]" 1
1174 1 76 MET ME 1 113 LEU MD1 . . 4.400 3.508 2.703 3.964 . 0 0 "[ . 1 . 2]" 1
1175 1 76 MET ME 1 144 ILE MG . . 4.300 3.706 3.026 4.420 0.120 2 0 "[ . 1 . 2]" 1
1176 1 76 MET ME 1 81 VAL MG1 . . 4.580 4.357 3.237 4.711 0.131 12 0 "[ . 1 . 2]" 1
1177 1 48 PHE HZ 1 78 HIS HD2 . . 3.430 3.123 2.787 3.483 0.053 13 0 "[ . 1 . 2]" 1
1178 1 48 PHE QE 1 53 PHE QE . . 4.250 4.337 4.207 4.365 0.115 20 0 "[ . 1 . 2]" 1
1179 1 48 PHE QE 1 78 HIS HD2 . . 3.540 3.539 3.310 3.630 0.090 9 0 "[ . 1 . 2]" 1
1180 1 48 PHE QE 1 137 TYR QE . . 4.370 4.172 3.811 4.475 0.105 17 0 "[ . 1 . 2]" 1
1181 1 130 TYR QD 1 137 TYR QD . . 4.000 3.802 3.282 4.108 0.108 17 0 "[ . 1 . 2]" 1
1182 1 36 TRP HD1 1 59 PHE QE . . 4.260 3.212 2.747 3.753 . 0 0 "[ . 1 . 2]" 1
1183 1 36 TRP HD1 1 59 PHE QD . . 4.200 2.673 2.341 3.817 . 0 0 "[ . 1 . 2]" 1
1184 1 13 PHE QE 1 36 TRP HH2 . . 4.440 4.538 4.518 4.549 0.109 10 0 "[ . 1 . 2]" 1
1185 1 77 PHE HZ 1 137 TYR QD . . 3.650 2.701 2.335 2.979 . 0 0 "[ . 1 . 2]" 1
1186 1 77 PHE QE 1 137 TYR QE . . 3.950 3.272 2.898 3.590 . 0 0 "[ . 1 . 2]" 1
1187 1 41 PHE HA 1 53 PHE QD . . 3.730 3.592 2.956 3.838 0.108 14 0 "[ . 1 . 2]" 1
1188 1 36 TRP HA 1 36 TRP HE3 . . 4.200 4.280 4.255 4.291 0.091 1 0 "[ . 1 . 2]" 1
1189 1 36 TRP HA 1 36 TRP HD1 . . 3.460 3.206 3.073 3.336 . 0 0 "[ . 1 . 2]" 1
1190 1 55 LEU HA 1 72 PHE QD . . 4.290 3.956 3.613 4.317 0.027 6 0 "[ . 1 . 2]" 1
1191 1 53 PHE HA 1 53 PHE QD . . 3.380 3.052 2.708 3.365 . 0 0 "[ . 1 . 2]" 1
1192 1 46 THR HB 1 48 PHE QD . . 4.010 2.639 2.102 3.653 . 0 0 "[ . 1 . 2]" 1
1193 1 46 THR HB 1 48 PHE QE . . 4.220 4.081 3.694 4.324 0.104 7 0 "[ . 1 . 2]" 1
1194 1 13 PHE HA 1 13 PHE QD . . 2.700 2.545 2.380 2.730 0.030 5 0 "[ . 1 . 2]" 1
1195 1 78 HIS HA 1 78 HIS HD2 . . 4.290 3.046 2.649 3.290 . 0 0 "[ . 1 . 2]" 1
1196 1 53 PHE QE 1 76 MET HA . . 4.320 3.384 2.811 3.918 . 0 0 "[ . 1 . 2]" 1
1197 1 77 PHE QE 1 78 HIS HA . . 4.300 4.394 4.347 4.418 0.118 10 0 "[ . 1 . 2]" 1
1198 1 96 TRP HA 1 96 TRP HE3 . . 3.790 2.396 2.174 2.731 . 0 0 "[ . 1 . 2]" 1
1199 1 34 MET HA 1 59 PHE QD . . 4.150 3.545 2.809 4.229 0.079 6 0 "[ . 1 . 2]" 1
1200 1 72 PHE QE 1 81 VAL HA . . 3.800 3.879 3.700 3.904 0.104 5 0 "[ . 1 . 2]" 1
1201 1 72 PHE HA 1 72 PHE QD . . 3.500 2.572 2.358 2.828 . 0 0 "[ . 1 . 2]" 1
1202 1 81 VAL HA 1 82 TYR QD . . 4.410 4.282 3.711 4.493 0.083 20 0 "[ . 1 . 2]" 1
1203 1 92 LEU HA 1 96 TRP HE3 . . 4.260 3.582 3.113 4.318 0.058 5 0 "[ . 1 . 2]" 1
1204 1 96 TRP HD1 1 97 SER HA . . 3.880 3.927 3.746 3.969 0.089 1 0 "[ . 1 . 2]" 1
1205 1 96 TRP HZ2 1 98 PRO HA . . 4.240 4.152 3.611 4.326 0.086 9 0 "[ . 1 . 2]" 1
1206 1 100 TYR HA 1 100 TYR QD . . 3.010 2.843 2.318 3.118 0.108 14 0 "[ . 1 . 2]" 1
1207 1 78 HIS HE1 1 116 PRO HA . . 3.500 2.327 2.091 2.681 . 0 0 "[ . 1 . 2]" 1
1208 1 77 PHE HA 1 77 PHE QD . . 3.280 2.506 2.263 3.057 . 0 0 "[ . 1 . 2]" 1
1209 1 59 PHE HA 1 59 PHE QD . . 3.880 2.668 2.375 3.395 . 0 0 "[ . 1 . 2]" 1
1210 1 47 PRO HD2 1 48 PHE QE . . 4.450 3.263 3.134 3.681 . 0 0 "[ . 1 . 2]" 1
1211 1 52 THR HA 1 53 PHE QD . . 3.220 3.009 2.627 3.290 0.070 16 0 "[ . 1 . 2]" 1
1212 1 47 PRO HD3 1 48 PHE QD . . 4.370 4.497 4.263 4.797 0.427 7 0 "[ . 1 . 2]" 1
1213 1 52 THR HA 1 53 PHE QE . . 4.170 4.233 3.802 4.278 0.108 15 0 "[ . 1 . 2]" 1
1214 1 82 TYR QD 1 86 SER QB . . 3.690 2.790 2.016 3.680 . 0 0 "[ . 1 . 2]" 1
1215 1 48 PHE HA 1 48 PHE QD . . 3.550 2.523 2.323 2.677 . 0 0 "[ . 1 . 2]" 1
1216 1 48 PHE HA 1 53 PHE QE . . 3.810 3.741 3.221 3.909 0.099 16 0 "[ . 1 . 2]" 1
1217 1 77 PHE QE 1 137 TYR HA . . 3.710 2.329 2.069 2.747 . 0 0 "[ . 1 . 2]" 1
1218 1 137 TYR HA 1 137 TYR QD . . 3.390 3.143 3.062 3.219 . 0 0 "[ . 1 . 2]" 1
1219 1 13 PHE QE 1 27 ALA HA . . 3.870 2.880 2.526 3.299 . 0 0 "[ . 1 . 2]" 1
1220 1 77 PHE HZ 1 137 TYR HA . . 4.090 3.119 2.722 3.546 . 0 0 "[ . 1 . 2]" 1
1221 1 130 TYR QD 1 131 GLN HA . . 3.980 3.521 3.080 4.063 0.083 8 0 "[ . 1 . 2]" 1
1222 1 134 LYS HA 1 137 TYR QD . . 3.820 3.743 3.198 3.917 0.097 8 0 "[ . 1 . 2]" 1
1223 1 13 PHE QD 1 14 LYS HA . . 3.590 3.557 3.142 3.678 0.088 10 0 "[ . 1 . 2]" 1
1224 1 77 PHE QD 1 126 ALA HA . . 4.020 4.078 3.831 4.114 0.094 17 0 "[ . 1 . 2]" 1
1225 1 82 TYR QE 1 122 ALA HA . . 3.590 3.281 2.777 3.677 0.087 1 0 "[ . 1 . 2]" 1
1226 1 77 PHE QE 1 126 ALA HA . . 3.490 2.056 1.962 2.208 . 0 0 "[ . 1 . 2]" 1
1227 1 77 PHE HZ 1 126 ALA HA . . 3.460 3.301 2.527 3.538 0.078 2 0 "[ . 1 . 2]" 1
1228 1 28 PRO HA 1 36 TRP HD1 . . 3.920 3.534 3.161 3.973 0.053 20 0 "[ . 1 . 2]" 1
1229 1 78 HIS HE1 1 80 ASN HB2 . . 3.890 3.444 2.519 3.950 0.060 15 0 "[ . 1 . 2]" 1
1230 1 96 TRP HB3 1 96 TRP HD1 . . 3.550 2.439 2.363 2.523 . 0 0 "[ . 1 . 2]" 1
1231 1 137 TYR QD 1 138 GLU HA . . 4.170 3.528 3.187 3.874 . 0 0 "[ . 1 . 2]" 1
1232 1 48 PHE HB3 1 53 PHE QE . . 3.750 2.307 1.970 2.712 . 0 0 "[ . 1 . 2]" 1
1233 1 116 PRO HD2 1 130 TYR QE . . 4.240 4.207 3.854 4.333 0.093 18 0 "[ . 1 . 2]" 1
1234 1 48 PHE QE 1 113 LEU HA . . 3.660 3.665 3.494 3.761 0.101 11 0 "[ . 1 . 2]" 1
1235 1 78 HIS HD2 1 113 LEU HA . . 3.320 3.369 3.250 3.403 0.083 17 0 "[ . 1 . 2]" 1
1236 1 51 GLY HA3 1 53 PHE HZ . . 4.310 4.062 3.450 4.393 0.083 18 0 "[ . 1 . 2]" 1
1237 1 149 TRP HB2 1 149 TRP HE3 . . 3.500 2.492 2.343 2.598 . 0 0 "[ . 1 . 2]" 1
1238 1 53 PHE QE 1 145 VAL HA . . 3.680 3.736 3.344 3.782 0.102 11 0 "[ . 1 . 2]" 1
1239 1 13 PHE HB3 1 36 TRP HH2 . . 4.140 3.859 3.730 4.188 0.048 17 0 "[ . 1 . 2]" 1
1240 1 116 PRO HD3 1 130 TYR QE . . 4.160 3.988 3.218 4.245 0.085 8 0 "[ . 1 . 2]" 1
1241 1 97 SER HB2 1 100 TYR QE . . 4.060 3.283 2.268 4.129 0.069 11 0 "[ . 1 . 2]" 1
1242 1 149 TRP HB3 1 149 TRP HD1 . . 3.720 3.234 3.083 3.341 . 0 0 "[ . 1 . 2]" 1
1243 1 130 TYR HA 1 137 TYR QD . . 4.190 2.641 2.330 3.130 . 0 0 "[ . 1 . 2]" 1
1244 1 130 TYR HA 1 137 TYR QE . . 4.050 3.739 2.981 4.125 0.075 9 0 "[ . 1 . 2]" 1
1245 1 130 TYR HA 1 130 TYR QD . . 3.390 3.049 2.705 3.207 . 0 0 "[ . 1 . 2]" 1
1246 1 36 TRP HB3 1 36 TRP HE3 . . 3.700 2.311 2.256 2.383 . 0 0 "[ . 1 . 2]" 1
1247 1 82 TYR QE 1 123 ASN QB . . 4.020 3.969 3.455 4.128 0.108 4 0 "[ . 1 . 2]" 1
1248 1 36 TRP HB2 1 36 TRP HE3 . . 3.950 3.653 3.562 3.750 . 0 0 "[ . 1 . 2]" 1
1249 1 96 TRP HB2 1 96 TRP HD1 . . 3.370 3.500 3.384 3.627 0.257 20 0 "[ . 1 . 2]" 1
1250 1 77 PHE QE 1 137 TYR HB2 . . 4.020 4.100 4.040 4.122 0.102 14 0 "[ . 1 . 2]" 1
1251 1 130 TYR QE 1 134 LYS QE . . 4.140 3.064 2.084 4.206 0.066 13 0 "[ . 1 . 2]" 1
1252 1 48 PHE HB2 1 53 PHE QE . . 4.150 3.940 3.290 4.221 0.071 13 0 "[ . 1 . 2]" 1
1253 1 12 ASP HB3 1 36 TRP HH2 . . 4.160 4.205 3.921 4.246 0.086 10 0 "[ . 1 . 2]" 1
1254 1 78 HIS HE1 1 80 ASN HB3 . . 3.760 3.754 2.693 3.970 0.210 13 0 "[ . 1 . 2]" 1
1255 1 146 GLU HA 1 149 TRP HE3 . . 3.850 2.533 2.046 2.780 . 0 0 "[ . 1 . 2]" 1
1256 1 130 TYR HB3 1 137 TYR QE . . 4.110 4.217 3.885 4.947 0.837 9 2 "[ . - +1 . 2]" 1
1257 1 146 GLU QG 1 149 TRP HE3 . . 4.330 2.595 2.147 3.417 . 0 0 "[ . 1 . 2]" 1
1258 1 97 SER HB3 1 100 TYR QE . . 3.960 3.552 2.415 4.155 0.195 2 0 "[ . 1 . 2]" 1
1259 1 47 PRO QG 1 48 PHE QD . . 4.320 3.265 3.128 3.404 . 0 0 "[ . 1 . 2]" 1
1260 1 137 TYR QD 1 138 GLU QG . . 4.030 3.690 3.179 4.015 . 0 0 "[ . 1 . 2]" 1
1261 1 13 PHE QD 1 16 LEU HB3 . . 4.050 3.994 3.471 4.136 0.086 9 0 "[ . 1 . 2]" 1
1262 1 129 LEU HB2 1 137 TYR QD . . 3.920 2.932 2.490 3.334 . 0 0 "[ . 1 . 2]" 1
1263 1 77 PHE QE 1 129 LEU HB2 . . 4.130 3.642 3.373 3.926 . 0 0 "[ . 1 . 2]" 1
1264 1 13 PHE QD 1 17 GLN QB . . 4.300 4.234 3.918 4.424 0.124 10 0 "[ . 1 . 2]" 1
1265 1 146 GLU QG 1 149 TRP HZ3 . . 4.330 3.024 2.763 3.878 . 0 0 "[ . 1 . 2]" 1
1266 1 91 ILE HB 1 100 TYR QE . . 3.640 3.121 2.204 3.738 0.098 2 0 "[ . 1 . 2]" 1
1267 1 13 PHE QE 1 28 PRO HD3 . . 4.280 3.134 2.631 3.624 . 0 0 "[ . 1 . 2]" 1
1268 1 13 PHE QD 1 28 PRO HD3 . . 4.140 2.449 2.256 2.827 . 0 0 "[ . 1 . 2]" 1
1269 1 72 PHE QE 1 81 VAL HB . . 4.240 4.289 4.063 4.334 0.094 8 0 "[ . 1 . 2]" 1
1270 1 146 GLU HB3 1 149 TRP HE3 . . 4.440 4.562 4.514 5.255 0.815 2 1 "[ + . 1 . 2]" 1
1271 1 53 PHE QD 1 76 MET QG . . 4.130 2.798 2.143 3.872 . 0 0 "[ . 1 . 2]" 1
1272 1 146 GLU HB3 1 149 TRP HZ3 . . 4.150 4.193 4.028 4.748 0.598 2 1 "[ + . 1 . 2]" 1
1273 1 53 PHE QE 1 76 MET QG . . 4.340 3.232 2.276 4.274 . 0 0 "[ . 1 . 2]" 1
1274 1 48 PHE QE 1 113 LEU HB2 . . 4.010 4.081 3.962 4.111 0.101 16 0 "[ . 1 . 2]" 1
1275 1 78 HIS HE1 1 112 LEU HB2 . . 4.280 4.590 4.366 5.156 0.876 17 6 "[ *. * 1-* . + *]" 1
1276 1 13 PHE QE 1 14 LYS QD . . 4.050 3.799 3.100 4.141 0.091 3 0 "[ . 1 . 2]" 1
1277 1 72 PHE QD 1 87 ILE HG12 . . 4.320 4.039 3.425 4.518 0.198 5 0 "[ . 1 . 2]" 1
1278 1 129 LEU HB3 1 137 TYR QD . . 4.030 3.011 2.570 3.526 . 0 0 "[ . 1 . 2]" 1
1279 1 78 HIS HE1 1 112 LEU HG . . 3.720 2.113 1.915 2.277 . 0 0 "[ . 1 . 2]" 1
1280 1 134 LYS QD 1 137 TYR QD . . 4.320 4.020 3.357 4.404 0.084 17 0 "[ . 1 . 2]" 1
1281 1 130 TYR QE 1 134 LYS QD . . 4.160 3.778 2.954 4.275 0.115 11 0 "[ . 1 . 2]" 1
1282 1 13 PHE QE 1 14 LYS QG . . 3.830 3.830 3.808 3.855 0.025 4 0 "[ . 1 . 2]" 1
1283 1 48 PHE QE 1 141 VAL HB . . 4.240 4.337 4.315 4.345 0.105 19 0 "[ . 1 . 2]" 1
1284 1 77 PHE QE 1 140 ARG HB3 . . 4.140 3.460 2.961 4.072 . 0 0 "[ . 1 . 2]" 1
1285 1 77 PHE QD 1 140 ARG HB3 . . 3.890 2.588 2.246 2.980 . 0 0 "[ . 1 . 2]" 1
1286 1 116 PRO HG3 1 130 TYR QE . . 4.060 2.458 2.133 3.134 . 0 0 "[ . 1 . 2]" 1
1287 1 134 LYS QG 1 137 TYR QD . . 4.300 4.136 3.593 4.403 0.103 11 0 "[ . 1 . 2]" 1
1288 1 78 HIS HE1 1 116 PRO HB2 . . 3.950 4.052 3.796 4.278 0.328 9 0 "[ . 1 . 2]" 1
1289 1 28 PRO QB 1 36 TRP HD1 . . 4.290 3.460 3.175 3.998 . 0 0 "[ . 1 . 2]" 1
1290 1 9 LEU HB3 1 36 TRP HZ2 . . 4.040 2.976 2.515 3.563 . 0 0 "[ . 1 . 2]" 1
1291 1 91 ILE QG 1 100 TYR QE . . 4.430 4.181 3.935 4.318 . 0 0 "[ . 1 . 2]" 1
1292 1 55 LEU HG 1 72 PHE QD . . 3.640 2.548 2.207 3.016 . 0 0 "[ . 1 . 2]" 1
1293 1 53 PHE QE 1 145 VAL MG2 . . 3.790 2.986 2.539 3.383 . 0 0 "[ . 1 . 2]" 1
1294 1 48 PHE QD 1 145 VAL MG2 . . 4.130 2.455 2.162 2.817 . 0 0 "[ . 1 . 2]" 1
1295 1 72 PHE QE 1 81 VAL MG1 . . 4.480 2.488 2.152 2.713 . 0 0 "[ . 1 . 2]" 1
1296 1 72 PHE QD 1 81 VAL MG1 . . 3.670 2.148 2.025 2.275 . 0 0 "[ . 1 . 2]" 1
1297 1 16 LEU QD 1 36 TRP HE3 . . 4.070 3.898 3.677 4.080 0.010 18 0 "[ . 1 . 2]" 1
1298 1 77 PHE QE 1 129 LEU QD . . 3.560 2.917 2.186 3.448 . 0 0 "[ . 1 . 2]" 1
1299 1 129 LEU QD 1 137 TYR QD . . 4.190 3.739 3.388 4.107 . 0 0 "[ . 1 . 2]" 1
1300 1 129 LEU QD 1 137 TYR QE . . 4.740 4.660 4.503 4.732 . 0 0 "[ . 1 . 2]" 1
1301 1 53 PHE QE 1 144 ILE MG . . 3.920 3.147 2.410 4.061 0.141 17 0 "[ . 1 . 2]" 1
1302 1 48 PHE QE 1 144 ILE MG . . 4.500 3.673 3.021 4.634 0.134 14 0 "[ . 1 . 2]" 1
1303 1 78 HIS HE1 1 112 LEU MD1 . . 3.890 2.292 1.935 3.017 . 0 0 "[ . 1 . 2]" 1
1304 1 96 TRP HZ2 1 105 ILE HG12 . . 4.630 4.836 4.679 5.214 0.584 5 1 "[ + 1 . 2]" 1
1305 1 99 THR MG 1 100 TYR QD . . 4.540 4.305 2.333 4.662 0.122 9 0 "[ . 1 . 2]" 1
1306 1 96 TRP HH2 1 105 ILE HG12 . . 4.100 2.655 2.372 3.299 . 0 0 "[ . 1 . 2]" 1
1307 1 78 HIS HE1 1 116 PRO HB3 . . 4.220 2.932 2.673 3.215 . 0 0 "[ . 1 . 2]" 1
1308 1 48 PHE QE 1 144 ILE MD . . 4.190 3.500 2.110 4.313 0.123 2 0 "[ . 1 . 2]" 1
1309 1 53 PHE QE 1 144 ILE MD . . 4.080 2.946 2.184 3.383 . 0 0 "[ . 1 . 2]" 1
1310 1 53 PHE HZ 1 144 ILE MD . . 4.650 3.836 2.596 4.738 0.088 15 0 "[ . 1 . 2]" 1
1311 1 13 PHE QE 1 28 PRO HD2 . . 4.430 2.536 2.190 2.884 . 0 0 "[ . 1 . 2]" 1
1312 1 96 TRP HH2 1 105 ILE MD . . 3.880 2.222 2.110 2.434 . 0 0 "[ . 1 . 2]" 1
1313 1 91 ILE MG 1 96 TRP HE3 . . 4.670 4.512 3.807 4.776 0.106 17 0 "[ . 1 . 2]" 1
1314 1 96 TRP HZ3 1 105 ILE MD . . 3.990 3.720 3.310 4.046 0.056 1 0 "[ . 1 . 2]" 1
1315 1 91 ILE MG 1 100 TYR QE . . 3.530 3.092 2.237 3.606 0.076 8 0 "[ . 1 . 2]" 1
1316 1 40 ILE MD 1 72 PHE QE . . 4.210 3.634 3.096 4.052 . 0 0 "[ . 1 . 2]" 1
1317 1 40 ILE MD 1 72 PHE HZ . . 4.320 4.039 3.726 4.391 0.071 17 0 "[ . 1 . 2]" 1
1318 1 92 LEU MD2 1 96 TRP HE3 . . 4.550 2.700 2.297 3.757 . 0 0 "[ . 1 . 2]" 1
1319 1 92 LEU MD2 1 96 TRP HZ3 . . 4.550 2.771 2.156 3.737 . 0 0 "[ . 1 . 2]" 1
1320 1 36 TRP HE3 1 102 VAL MG1 . . 4.120 3.147 2.889 3.470 . 0 0 "[ . 1 . 2]" 1
1321 1 36 TRP HZ3 1 102 VAL MG1 . . 3.820 2.539 2.321 2.975 . 0 0 "[ . 1 . 2]" 1
1322 1 78 HIS HE1 1 112 LEU MD2 . . 4.150 3.412 3.208 3.645 . 0 0 "[ . 1 . 2]" 1
1323 1 53 PHE QE 1 145 VAL MG1 . . 4.710 4.449 3.743 4.819 0.109 14 0 "[ . 1 . 2]" 1
1324 1 145 VAL MG1 1 149 TRP HZ2 . . 3.710 2.622 2.311 3.680 . 0 0 "[ . 1 . 2]" 1
1325 1 72 PHE QE 1 87 ILE MG . . 4.410 4.261 3.943 4.477 0.067 4 0 "[ . 1 . 2]" 1
1326 1 145 VAL MG1 1 149 TRP HH2 . . 4.130 3.623 2.996 4.230 0.100 1 0 "[ . 1 . 2]" 1
1327 1 91 ILE MD 1 100 TYR QE . . 3.970 2.565 2.078 3.475 . 0 0 "[ . 1 . 2]" 1
1328 1 72 PHE QD 1 81 VAL MG2 . . 3.610 3.491 3.251 3.682 0.072 13 0 "[ . 1 . 2]" 1
1329 1 72 PHE HZ 1 109 ILE MG . . 3.690 2.592 2.378 2.837 . 0 0 "[ . 1 . 2]" 1
1330 1 72 PHE QE 1 81 VAL MG2 . . 3.560 2.020 1.914 2.113 . 0 0 "[ . 1 . 2]" 1
1331 1 78 HIS HD2 1 113 LEU HB3 . . 4.200 4.264 4.200 4.279 0.079 6 0 "[ . 1 . 2]" 1
1332 1 36 TRP HE3 1 102 VAL MG2 . . 4.260 4.357 4.335 4.372 0.112 13 0 "[ . 1 . 2]" 1
1333 1 36 TRP HZ3 1 102 VAL MG2 . . 4.140 3.434 3.188 3.783 . 0 0 "[ . 1 . 2]" 1
1334 1 59 PHE HZ 1 102 VAL MG2 . . 3.660 2.830 2.256 3.433 . 0 0 "[ . 1 . 2]" 1
1335 1 59 PHE QE 1 102 VAL MG2 . . 3.860 3.560 2.733 3.971 0.111 5 0 "[ . 1 . 2]" 1
1336 1 53 PHE QE 1 113 LEU MD1 . . 4.050 4.071 3.442 4.177 0.127 13 0 "[ . 1 . 2]" 1
1337 1 48 PHE QD 1 141 VAL MG2 . . 3.990 3.846 3.659 4.036 0.046 9 0 "[ . 1 . 2]" 1
1338 1 48 PHE HZ 1 141 VAL MG2 . . 3.980 2.670 2.285 2.976 . 0 0 "[ . 1 . 2]" 1
1339 1 48 PHE QE 1 141 VAL MG2 . . 3.850 2.177 2.109 2.312 . 0 0 "[ . 1 . 2]" 1
1340 1 77 PHE QE 1 141 VAL MG2 . . 4.230 2.989 2.478 3.667 . 0 0 "[ . 1 . 2]" 1
1341 1 137 TYR QD 1 141 VAL MG2 . . 3.440 2.644 2.173 3.035 . 0 0 "[ . 1 . 2]" 1
1342 1 137 TYR QE 1 141 VAL MG2 . . 4.020 2.846 2.461 3.368 . 0 0 "[ . 1 . 2]" 1
1343 1 72 PHE HZ 1 109 ILE MD . . 4.340 4.363 4.195 4.445 0.105 10 0 "[ . 1 . 2]" 1
1344 1 55 LEU MD1 1 72 PHE QD . . 4.550 3.058 2.387 3.434 . 0 0 "[ . 1 . 2]" 1
1345 1 55 LEU MD1 1 72 PHE QE . . 4.130 2.434 2.274 2.589 . 0 0 "[ . 1 . 2]" 1
1346 1 9 LEU MD1 1 59 PHE QD . . 4.400 3.187 2.516 4.251 . 0 0 "[ . 1 . 2]" 1
1347 1 72 PHE QE 1 87 ILE MD . . 4.020 2.575 2.168 2.923 . 0 0 "[ . 1 . 2]" 1
1348 1 48 PHE QE 1 76 MET ME . . 4.260 3.069 2.436 4.092 . 0 0 "[ . 1 . 2]" 1
1349 1 53 PHE QE 1 76 MET ME . . 4.590 2.971 2.111 4.114 . 0 0 "[ . 1 . 2]" 1
1350 1 82 TYR QE 1 122 ALA MB . . 3.860 2.424 2.105 2.988 . 0 0 "[ . 1 . 2]" 1
1351 1 77 PHE QD 1 126 ALA MB . . 3.780 2.841 2.477 3.265 . 0 0 "[ . 1 . 2]" 1
1352 1 77 PHE QE 1 126 ALA MB . . 3.990 2.280 2.079 2.738 . 0 0 "[ . 1 . 2]" 1
1353 1 77 PHE HZ 1 126 ALA MB . . 4.330 3.816 3.222 4.199 . 0 0 "[ . 1 . 2]" 1
1354 1 55 LEU MD2 1 72 PHE QD . . 4.410 3.475 3.203 3.789 . 0 0 "[ . 1 . 2]" 1
1355 1 55 LEU MD2 1 72 PHE QE . . 4.270 2.700 2.421 3.024 . 0 0 "[ . 1 . 2]" 1
1356 1 55 LEU MD2 1 72 PHE HZ . . 4.450 3.187 2.840 3.949 . 0 0 "[ . 1 . 2]" 1
1357 1 57 ILE MG 1 59 PHE QD . . 4.720 3.524 3.278 3.704 . 0 0 "[ . 1 . 2]" 1
1358 1 57 ILE MG 1 59 PHE HZ . . 4.210 2.685 2.364 3.774 . 0 0 "[ . 1 . 2]" 1
1359 1 57 ILE MG 1 59 PHE QE . . 4.180 2.855 2.697 3.042 . 0 0 "[ . 1 . 2]" 1
1360 1 48 PHE QE 1 141 VAL MG1 . . 4.000 2.224 2.077 2.390 . 0 0 "[ . 1 . 2]" 1
1361 1 48 PHE QD 1 141 VAL MG1 . . 4.020 2.356 2.088 2.478 . 0 0 "[ . 1 . 2]" 1
1362 1 48 PHE HZ 1 141 VAL MG1 . . 4.570 3.600 3.398 3.856 . 0 0 "[ . 1 . 2]" 1
1363 1 48 PHE QE 1 113 LEU MD2 . . 4.080 3.510 2.842 4.183 0.103 3 0 "[ . 1 . 2]" 1
1364 1 53 PHE QE 1 113 LEU MD2 . . 4.420 4.492 4.151 4.550 0.130 15 0 "[ . 1 . 2]" 1
1365 1 48 PHE QD 1 113 LEU MD2 . . 4.270 3.842 3.169 4.387 0.117 16 0 "[ . 1 . 2]" 1
1366 1 78 HIS HD2 1 113 LEU MD2 . . 3.570 3.214 2.667 3.663 0.093 3 0 "[ . 1 . 2]" 1
1367 1 72 PHE QE 1 113 LEU MD2 . . 4.460 3.911 3.534 4.308 . 0 0 "[ . 1 . 2]" 1
1368 1 72 PHE HZ 1 113 LEU MD2 . . 4.020 3.360 2.729 4.080 0.060 17 0 "[ . 1 . 2]" 1
1369 1 9 LEU MD2 1 36 TRP HZ2 . . 4.230 3.066 2.491 3.859 . 0 0 "[ . 1 . 2]" 1
1370 1 9 LEU MD2 1 59 PHE QD . . 4.460 2.915 2.496 3.479 . 0 0 "[ . 1 . 2]" 1
1371 1 9 LEU MD2 1 59 PHE QE . . 4.560 2.956 2.658 3.831 . 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 70
_Distance_constraint_stats_list.Viol_count 517
_Distance_constraint_stats_list.Viol_total 2234.056
_Distance_constraint_stats_list.Viol_max 1.196
_Distance_constraint_stats_list.Viol_rms 0.1579
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0798
_Distance_constraint_stats_list.Viol_average_violations_only 0.2161
_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 6 ARG 2.666 0.312 4 0 "[ . 1 . 2]"
1 7 ARG 9.296 1.196 17 3 "[ .* 1 . + -]"
1 8 ARG 0.255 0.126 15 0 "[ . 1 . 2]"
1 9 LEU 0.044 0.022 20 0 "[ . 1 . 2]"
1 10 MET 9.825 0.622 6 2 "[ .+* 1 . 2]"
1 11 ARG 11.787 1.196 17 3 "[ .* 1 . + -]"
1 12 ASP 0.255 0.126 15 0 "[ . 1 . 2]"
1 13 PHE 2.776 0.394 10 0 "[ . 1 . 2]"
1 14 LYS 7.158 0.622 6 2 "[ .+* 1 . 2]"
1 15 ARG 2.491 0.477 14 0 "[ . 1 . 2]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLN 2.733 0.394 10 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 MET 2.374 0.545 6 1 "[ .+ 1 . 2]"
1 36 TRP 1.386 0.749 6 1 "[ .+ 1 . 2]"
1 38 ALA 0.157 0.097 14 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ILE 11.227 0.720 13 3 "[ . 1* + . -2]"
1 53 PHE 11.227 0.720 13 3 "[ . 1* + . -2]"
1 55 LEU 0.157 0.097 14 0 "[ . 1 . 2]"
1 56 VAL 0.057 0.028 2 0 "[ . 1 . 2]"
1 57 ILE 1.386 0.749 6 1 "[ .+ 1 . 2]"
1 58 GLU 5.021 0.610 5 1 "[ + 1 . 2]"
1 59 PHE 2.374 0.545 6 1 "[ .+ 1 . 2]"
1 69 THR 5.021 0.610 5 1 "[ + 1 . 2]"
1 71 ARG 0.057 0.028 2 0 "[ . 1 . 2]"
1 104 SER 8.426 0.721 17 3 "[ * . 1 -. + 2]"
1 105 ILE 11.220 0.703 1 3 "[+ * 1 - . 2]"
1 106 LEU 3.252 0.390 11 0 "[ . 1 . 2]"
1 107 THR 2.040 0.290 11 0 "[ . 1 . 2]"
1 108 SER 10.049 0.721 17 3 "[ * . 1 -. + 2]"
1 109 ILE 24.987 0.856 17 10 "[*-* * * ***. +* 2]"
1 110 GLN 3.252 0.390 11 0 "[ . 1 . 2]"
1 111 SER 2.040 0.290 11 0 "[ . 1 . 2]"
1 112 LEU 1.623 0.342 15 0 "[ . 1 . 2]"
1 113 LEU 13.767 0.856 17 9 "[*-* * * **. +* 2]"
1 126 ALA 3.061 0.339 12 0 "[ . 1 . 2]"
1 127 ALA 12.716 0.932 14 7 "[ - * * 1 **+. *]"
1 130 TYR 3.061 0.339 12 0 "[ . 1 . 2]"
1 131 GLN 12.716 0.932 14 7 "[ - * * 1 **+. *]"
1 136 GLU 0.294 0.154 5 0 "[ . 1 . 2]"
1 137 TYR 0.244 0.094 2 0 "[ . 1 . 2]"
1 138 GLU 1.404 0.229 7 0 "[ . 1 . 2]"
1 139 LYS 2.265 0.405 5 0 "[ . 1 . 2]"
1 140 ARG 0.723 0.165 17 0 "[ . 1 . 2]"
1 141 VAL 3.409 0.726 15 1 "[ . 1 + 2]"
1 142 SER 4.337 0.531 2 3 "[ + . - . * 2]"
1 143 ALA 2.265 0.405 5 0 "[ . 1 . 2]"
1 144 ILE 0.429 0.165 17 0 "[ . 1 . 2]"
1 145 VAL 3.165 0.726 15 1 "[ . 1 + 2]"
1 146 GLU 2.933 0.531 2 3 "[ + . - . * 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 ARG O 1 10 MET H . . 2.000 2.039 1.825 2.312 0.312 4 0 "[ . 1 . 2]" 2
2 1 6 ARG O 1 10 MET N . . 3.000 3.011 2.824 3.286 0.286 4 0 "[ . 1 . 2]" 2
3 1 7 ARG O 1 11 ARG H . . 2.000 2.274 1.884 3.196 1.196 17 3 "[ .* 1 . + -]" 2
4 1 7 ARG O 1 11 ARG N . . 3.000 3.166 2.800 4.000 1.000 17 3 "[ .* 1 . + -]" 2
5 1 8 ARG O 1 12 ASP H . . 2.000 1.878 1.725 2.125 0.125 15 0 "[ . 1 . 2]" 2
6 1 8 ARG O 1 12 ASP N . . 3.000 2.880 2.733 3.126 0.126 15 0 "[ . 1 . 2]" 2
7 1 9 LEU O 1 13 PHE H . . 2.000 1.917 1.843 2.022 0.022 20 0 "[ . 1 . 2]" 2
8 1 9 LEU O 1 13 PHE N . . 3.000 2.903 2.806 3.022 0.022 20 0 "[ . 1 . 2]" 2
9 1 10 MET O 1 14 LYS H . . 2.000 2.195 1.913 2.622 0.622 6 2 "[ .+- 1 . 2]" 2
10 1 10 MET O 1 14 LYS N . . 3.000 3.134 2.898 3.505 0.505 6 1 "[ .+ 1 . 2]" 2
11 1 11 ARG O 1 15 ARG H . . 2.000 2.033 1.807 2.477 0.477 14 0 "[ . 1 . 2]" 2
12 1 11 ARG O 1 15 ARG N . . 3.000 2.946 2.763 3.241 0.241 14 0 "[ . 1 . 2]" 2
13 1 12 ASP O 1 16 LEU H . . 2.000 1.856 1.797 1.964 . 0 0 "[ . 1 . 2]" 2
14 1 12 ASP O 1 16 LEU N . . 3.000 2.854 2.780 2.970 . 0 0 "[ . 1 . 2]" 2
15 1 13 PHE O 1 17 GLN H . . 2.000 2.078 1.880 2.394 0.394 10 0 "[ . 1 . 2]" 2
16 1 13 PHE O 1 17 GLN N . . 3.000 2.972 2.838 3.182 0.182 17 0 "[ . 1 . 2]" 2
17 1 25 SER O 1 39 VAL H . . 2.000 1.891 1.844 1.975 . 0 0 "[ . 1 . 2]" 2
18 1 25 SER O 1 39 VAL N . . 3.000 2.880 2.831 2.953 . 0 0 "[ . 1 . 2]" 2
19 1 34 MET O 1 59 PHE H . . 2.000 1.970 1.761 2.545 0.545 6 1 "[ .+ 1 . 2]" 2
20 1 34 MET O 1 59 PHE N . . 3.000 2.965 2.770 3.542 0.542 6 1 "[ .+ 1 . 2]" 2
21 1 36 TRP H 1 57 ILE O . . 2.000 1.931 1.812 2.749 0.749 6 1 "[ .+ 1 . 2]" 2
22 1 36 TRP N 1 57 ILE O . . 3.000 2.922 2.829 3.446 0.446 6 0 "[ . 1 . 2]" 2
23 1 38 ALA H 1 55 LEU O . . 2.000 1.851 1.785 2.028 0.028 14 0 "[ . 1 . 2]" 2
24 1 38 ALA N 1 55 LEU O . . 3.000 2.860 2.790 3.032 0.032 14 0 "[ . 1 . 2]" 2
25 1 40 ILE H 1 53 PHE O . . 2.000 2.242 2.027 2.643 0.643 11 2 "[ . 1+ . -2]" 2
26 1 40 ILE N 1 53 PHE O . . 3.000 3.185 2.969 3.583 0.583 11 1 "[ . 1+ . 2]" 2
27 1 40 ILE O 1 53 PHE H . . 2.000 2.024 1.847 2.720 0.720 13 1 "[ . 1 + . 2]" 2
28 1 40 ILE O 1 53 PHE N . . 3.000 2.983 2.791 3.544 0.544 13 1 "[ . 1 + . 2]" 2
29 1 56 VAL H 1 71 ARG O . . 2.000 1.920 1.789 2.028 0.028 2 0 "[ . 1 . 2]" 2
30 1 56 VAL N 1 71 ARG O . . 3.000 2.882 2.767 3.000 . 0 0 "[ . 1 . 2]" 2
31 1 36 TRP O 1 57 ILE H . . 2.000 1.845 1.772 2.030 0.030 1 0 "[ . 1 . 2]" 2
32 1 36 TRP O 1 57 ILE N . . 3.000 2.817 2.735 2.972 . 0 0 "[ . 1 . 2]" 2
33 1 38 ALA O 1 55 LEU H . . 2.000 1.848 1.764 2.097 0.097 14 0 "[ . 1 . 2]" 2
34 1 38 ALA O 1 55 LEU N . . 3.000 2.803 2.757 2.868 . 0 0 "[ . 1 . 2]" 2
35 1 58 GLU H 1 69 THR O . . 2.000 1.826 1.778 1.890 . 0 0 "[ . 1 . 2]" 2
36 1 58 GLU N 1 69 THR O . . 3.000 2.832 2.769 2.876 . 0 0 "[ . 1 . 2]" 2
37 1 58 GLU O 1 69 THR H . . 2.000 2.148 1.861 2.610 0.610 5 1 "[ + 1 . 2]" 2
38 1 58 GLU O 1 69 THR N . . 3.000 3.069 2.864 3.394 0.394 2 0 "[ . 1 . 2]" 2
39 1 56 VAL O 1 71 ARG H . . 2.000 1.846 1.802 1.941 . 0 0 "[ . 1 . 2]" 2
40 1 56 VAL O 1 71 ARG N . . 3.000 2.851 2.809 2.937 . 0 0 "[ . 1 . 2]" 2
41 1 104 SER O 1 108 SER H . . 2.000 2.231 1.883 2.721 0.721 17 3 "[ * . 1 -. + 2]" 2
42 1 104 SER O 1 108 SER N . . 3.000 3.135 2.824 3.612 0.612 17 1 "[ . 1 . + 2]" 2
43 1 105 ILE O 1 109 ILE H . . 2.000 2.299 1.978 2.703 0.703 1 3 "[+ * 1 - . 2]" 2
44 1 105 ILE O 1 109 ILE N . . 3.000 3.259 2.972 3.655 0.655 1 2 "[+ . 1 - . 2]" 2
45 1 106 LEU O 1 110 GLN H . . 2.000 2.085 1.921 2.390 0.390 11 0 "[ . 1 . 2]" 2
46 1 106 LEU O 1 110 GLN N . . 3.000 3.046 2.906 3.330 0.330 11 0 "[ . 1 . 2]" 2
47 1 107 THR O 1 111 SER H . . 2.000 2.041 1.886 2.290 0.290 11 0 "[ . 1 . 2]" 2
48 1 107 THR O 1 111 SER N . . 3.000 3.030 2.897 3.240 0.240 5 0 "[ . 1 . 2]" 2
49 1 108 SER O 1 112 LEU H . . 2.000 2.045 1.865 2.342 0.342 15 0 "[ . 1 . 2]" 2
50 1 108 SER O 1 112 LEU N . . 3.000 2.929 2.797 3.057 0.057 15 0 "[ . 1 . 2]" 2
51 1 109 ILE O 1 113 LEU H . . 2.000 2.465 2.060 2.856 0.856 17 9 "[*-* * * **. +* 2]" 2
52 1 109 ILE O 1 113 LEU N . . 3.000 3.221 2.956 3.532 0.532 1 1 "[+ . 1 . 2]" 2
53 1 126 ALA O 1 130 TYR H . . 2.000 2.065 1.822 2.339 0.339 12 0 "[ . 1 . 2]" 2
54 1 126 ALA O 1 130 TYR N . . 3.000 3.038 2.821 3.316 0.316 12 0 "[ . 1 . 2]" 2
55 1 127 ALA O 1 131 GLN H . . 2.000 2.389 2.049 2.932 0.932 14 7 "[ - * * 1 **+. *]" 2
56 1 127 ALA O 1 131 GLN N . . 3.000 3.241 2.934 3.736 0.736 14 2 "[ . 1 +. -]" 2
57 1 136 GLU O 1 140 ARG H . . 2.000 1.898 1.767 2.154 0.154 5 0 "[ . 1 . 2]" 2
58 1 136 GLU O 1 140 ARG N . . 3.000 2.845 2.741 3.055 0.055 9 0 "[ . 1 . 2]" 2
59 1 137 TYR O 1 141 VAL H . . 2.000 1.942 1.822 2.094 0.094 2 0 "[ . 1 . 2]" 2
60 1 137 TYR O 1 141 VAL N . . 3.000 2.895 2.792 3.036 0.036 2 0 "[ . 1 . 2]" 2
61 1 138 GLU O 1 142 SER H . . 2.000 1.975 1.800 2.226 0.226 7 0 "[ . 1 . 2]" 2
62 1 138 GLU O 1 142 SER N . . 3.000 2.957 2.798 3.229 0.229 7 0 "[ . 1 . 2]" 2
63 1 139 LYS O 1 143 ALA H . . 2.000 2.015 1.850 2.405 0.405 5 0 "[ . 1 . 2]" 2
64 1 139 LYS O 1 143 ALA N . . 3.000 2.995 2.837 3.377 0.377 5 0 "[ . 1 . 2]" 2
65 1 140 ARG O 1 144 ILE H . . 2.000 1.908 1.777 2.165 0.165 17 0 "[ . 1 . 2]" 2
66 1 140 ARG O 1 144 ILE N . . 3.000 2.852 2.749 3.135 0.135 17 0 "[ . 1 . 2]" 2
67 1 141 VAL O 1 145 VAL H . . 2.000 2.026 1.823 2.726 0.726 15 1 "[ . 1 + 2]" 2
68 1 141 VAL O 1 145 VAL N . . 3.000 3.015 2.824 3.581 0.581 15 1 "[ . 1 + 2]" 2
69 1 142 SER O 1 146 GLU H . . 2.000 1.994 1.769 2.531 0.531 2 3 "[ + . - . * 2]" 2
70 1 142 SER O 1 146 GLU N . . 3.000 2.972 2.765 3.498 0.498 2 0 "[ . 1 . 2]" 2
stop_
save_
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