NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
499147 |
2xnf   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2xnf
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 1600
_Distance_constraint_stats_list.Viol_count 893
_Distance_constraint_stats_list.Viol_total 387.490
_Distance_constraint_stats_list.Viol_max 0.300
_Distance_constraint_stats_list.Viol_rms 0.0145
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0434
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 VAL 0.019 0.019 1 0 "[ . 1]"
1 4 SER 0.000 0.000 . 0 "[ . 1]"
1 6 LYS 1.431 0.154 1 0 "[ . 1]"
1 7 LEU 2.794 0.261 10 0 "[ . 1]"
1 8 LEU 0.129 0.068 6 0 "[ . 1]"
1 9 ALA 0.397 0.087 2 0 "[ . 1]"
1 10 TRP 0.719 0.084 4 0 "[ . 1]"
1 11 SER 0.239 0.084 4 0 "[ . 1]"
1 12 GLY 0.029 0.025 1 0 "[ . 1]"
1 13 VAL 0.317 0.096 7 0 "[ . 1]"
1 14 LEU 0.602 0.096 7 0 "[ . 1]"
1 15 GLU 1.511 0.158 7 0 "[ . 1]"
1 16 TRP 0.701 0.289 5 0 "[ . 1]"
1 17 GLN 0.000 0.000 . 0 "[ . 1]"
1 22 PRO 0.026 0.026 8 0 "[ . 1]"
1 23 ALA 0.026 0.026 8 0 "[ . 1]"
1 24 SER 0.000 0.000 . 0 "[ . 1]"
1 25 VAL 0.000 0.000 . 0 "[ . 1]"
1 26 ASP 0.000 0.000 . 0 "[ . 1]"
1 27 ALA 0.000 0.000 . 0 "[ . 1]"
1 28 ASN 0.013 0.013 6 0 "[ . 1]"
1 29 THR 0.358 0.135 6 0 "[ . 1]"
1 30 LYS 0.445 0.135 6 0 "[ . 1]"
1 31 LEU 0.085 0.078 8 0 "[ . 1]"
1 32 THR 1.322 0.161 8 0 "[ . 1]"
1 33 ARG 1.046 0.199 10 0 "[ . 1]"
1 34 SER 1.085 0.241 5 0 "[ . 1]"
1 35 LEU 0.389 0.048 2 0 "[ . 1]"
1 36 PRO 0.270 0.035 10 0 "[ . 1]"
1 37 CYS 0.127 0.043 9 0 "[ . 1]"
1 38 GLN 0.048 0.028 7 0 "[ . 1]"
1 39 VAL 0.447 0.054 5 0 "[ . 1]"
1 40 TYR 0.919 0.087 10 0 "[ . 1]"
1 41 VAL 0.510 0.132 1 0 "[ . 1]"
1 42 ASN 0.015 0.015 10 0 "[ . 1]"
1 43 HIS 2.506 0.261 10 0 "[ . 1]"
1 45 GLU 0.853 0.195 2 0 "[ . 1]"
1 46 ASN 0.000 0.000 . 0 "[ . 1]"
1 47 LEU 0.424 0.078 6 0 "[ . 1]"
1 48 LYS 0.000 0.000 . 0 "[ . 1]"
1 49 THR 0.174 0.046 9 0 "[ . 1]"
1 50 GLU 0.000 0.000 . 0 "[ . 1]"
1 51 GLN 0.000 0.000 . 0 "[ . 1]"
1 52 TRP 0.906 0.085 5 0 "[ . 1]"
1 53 PRO 0.010 0.010 7 0 "[ . 1]"
1 54 GLN 0.650 0.264 4 0 "[ . 1]"
1 55 LYS 0.096 0.088 9 0 "[ . 1]"
1 56 LEU 1.326 0.181 4 0 "[ . 1]"
1 57 ILE 0.022 0.007 9 0 "[ . 1]"
1 58 MET 0.544 0.289 5 0 "[ . 1]"
1 59 GLN 0.000 0.000 . 0 "[ . 1]"
1 60 LEU 0.176 0.034 2 0 "[ . 1]"
1 61 ILE 0.264 0.185 1 0 "[ . 1]"
1 62 PRO 0.453 0.071 9 0 "[ . 1]"
1 63 GLN 0.000 0.000 . 0 "[ . 1]"
1 64 GLN 0.000 0.000 . 0 "[ . 1]"
1 65 LEU 0.134 0.036 2 0 "[ . 1]"
1 66 LEU 0.331 0.072 8 0 "[ . 1]"
1 67 THR 0.185 0.185 9 0 "[ . 1]"
1 68 THR 0.291 0.063 4 0 "[ . 1]"
1 69 LEU 0.991 0.158 6 0 "[ . 1]"
1 70 GLY 0.427 0.158 6 0 "[ . 1]"
1 71 PRO 0.129 0.060 7 0 "[ . 1]"
1 72 LEU 0.208 0.060 7 0 "[ . 1]"
1 73 PHE 0.540 0.119 7 0 "[ . 1]"
1 74 ARG 0.090 0.045 8 0 "[ . 1]"
1 75 ASN 0.049 0.025 9 0 "[ . 1]"
1 76 SER 0.038 0.030 5 0 "[ . 1]"
1 77 ARG 0.748 0.094 10 0 "[ . 1]"
1 78 MET 2.867 0.171 5 0 "[ . 1]"
1 79 VAL 1.100 0.107 1 0 "[ . 1]"
1 80 GLN 0.000 0.000 . 0 "[ . 1]"
1 81 PHE 1.069 0.110 4 0 "[ . 1]"
1 82 HIS 0.091 0.072 3 0 "[ . 1]"
1 83 PHE 0.812 0.083 9 0 "[ . 1]"
1 84 THR 0.061 0.031 1 0 "[ . 1]"
1 85 ASN 1.095 0.300 2 0 "[ . 1]"
1 86 LYS 0.282 0.072 9 0 "[ . 1]"
1 87 ASP 0.089 0.037 9 0 "[ . 1]"
1 88 LEU 1.523 0.300 2 0 "[ . 1]"
1 89 GLU 0.250 0.149 6 0 "[ . 1]"
1 90 SER 0.089 0.037 9 0 "[ . 1]"
1 91 LEU 0.589 0.083 9 0 "[ . 1]"
1 92 LYS 0.182 0.031 2 0 "[ . 1]"
1 93 GLY 0.000 0.000 . 0 "[ . 1]"
1 94 LEU 1.034 0.105 3 0 "[ . 1]"
1 95 TYR 1.185 0.105 3 0 "[ . 1]"
1 96 ARG 0.000 0.000 . 0 "[ . 1]"
1 97 ILE 0.688 0.070 3 0 "[ . 1]"
1 98 MET 0.828 0.162 1 0 "[ . 1]"
1 99 GLY 0.271 0.073 6 0 "[ . 1]"
1 100 ASN 0.035 0.035 9 0 "[ . 1]"
1 101 GLY 0.000 0.000 . 0 "[ . 1]"
1 102 PHE 0.941 0.070 9 0 "[ . 1]"
1 103 ALA 0.511 0.052 6 0 "[ . 1]"
1 104 GLY 0.022 0.013 10 0 "[ . 1]"
1 105 CYS 0.044 0.030 1 0 "[ . 1]"
1 106 VAL 0.542 0.071 8 0 "[ . 1]"
1 107 HIS 1.714 0.131 7 0 "[ . 1]"
1 108 PHE 1.603 0.181 4 0 "[ . 1]"
1 109 PRO 0.187 0.187 8 0 "[ . 1]"
1 110 HIS 0.187 0.187 8 0 "[ . 1]"
1 112 ALA 0.003 0.002 2 0 "[ . 1]"
1 113 PRO 0.003 0.002 2 0 "[ . 1]"
1 115 GLU 0.000 0.000 . 0 "[ . 1]"
1 116 VAL 0.626 0.085 5 0 "[ . 1]"
1 118 VAL 1.682 0.131 7 0 "[ . 1]"
1 119 LEU 1.742 0.213 3 0 "[ . 1]"
1 120 MET 0.758 0.111 9 0 "[ . 1]"
1 121 LEU 0.958 0.162 1 0 "[ . 1]"
1 122 LEU 1.692 0.086 4 0 "[ . 1]"
1 123 TYR 0.782 0.073 6 0 "[ . 1]"
1 124 SER 0.000 0.000 . 0 "[ . 1]"
1 125 SER 0.004 0.004 1 0 "[ . 1]"
1 126 LYS 0.000 0.000 . 0 "[ . 1]"
1 127 LYS 0.000 0.000 . 0 "[ . 1]"
1 128 LYS 0.619 0.168 7 0 "[ . 1]"
1 129 ILE 0.000 0.000 . 0 "[ . 1]"
1 130 PHE 0.243 0.036 10 0 "[ . 1]"
1 131 MET 0.207 0.086 4 0 "[ . 1]"
1 132 GLY 0.491 0.110 4 0 "[ . 1]"
1 133 LEU 1.501 0.171 5 0 "[ . 1]"
1 134 ILE 2.229 0.213 3 0 "[ . 1]"
1 135 PRO 0.030 0.030 5 0 "[ . 1]"
1 136 TYR 0.117 0.025 9 0 "[ . 1]"
1 137 ASP 0.000 0.000 . 0 "[ . 1]"
1 138 GLN 0.100 0.035 4 0 "[ . 1]"
1 139 SER 0.125 0.037 9 0 "[ . 1]"
1 140 GLY 0.000 0.000 . 0 "[ . 1]"
1 141 PHE 0.384 0.051 5 0 "[ . 1]"
1 142 VAL 0.886 0.092 4 0 "[ . 1]"
1 143 ASN 0.000 0.000 . 0 "[ . 1]"
1 144 GLY 0.000 0.000 . 0 "[ . 1]"
1 145 ILE 0.039 0.018 3 0 "[ . 1]"
1 146 ARG 0.506 0.101 7 0 "[ . 1]"
1 147 GLN 0.413 0.068 2 0 "[ . 1]"
1 148 VAL 0.000 0.000 . 0 "[ . 1]"
1 149 ILE 1.085 0.084 8 0 "[ . 1]"
1 150 THR 2.284 0.221 2 0 "[ . 1]"
1 151 ASN 0.253 0.048 4 0 "[ . 1]"
1 152 LEU 0.459 0.071 9 0 "[ . 1]"
1 153 GLU 0.000 0.000 . 0 "[ . 1]"
1 154 HIS 0.000 0.000 . 0 "[ . 1]"
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 1 101 GLY H 1 102 PHE H 2.705 . 3.610 2.208 2.176 2.287 . 0 0 "[ . 1]" 1
2 1 98 MET ME 1 104 GLY H 2.950 . 4.100 2.266 2.080 2.458 . 0 0 "[ . 1]" 1
3 1 103 ALA MB 1 104 GLY H 2.755 . 3.710 2.568 2.482 2.710 . 0 0 "[ . 1]" 1
4 1 92 LYS HB3 1 93 GLY H 2.770 . 3.740 2.510 2.373 2.735 . 0 0 "[ . 1]" 1
5 1 99 GLY H 1 100 ASN H 2.960 . 4.120 2.560 2.457 2.595 . 0 0 "[ . 1]" 1
6 1 69 LEU HG 1 70 GLY H 3.590 . 5.380 5.163 4.702 5.538 0.158 6 0 "[ . 1]" 1
7 1 144 GLY H 1 145 ILE H 2.705 . 3.610 2.616 2.549 2.699 . 0 0 "[ . 1]" 1
8 1 141 PHE HA 1 144 GLY H 2.905 . 4.010 3.474 3.307 3.665 . 0 0 "[ . 1]" 1
9 1 143 ASN H 1 144 GLY H 2.855 . 3.910 2.711 2.600 2.803 . 0 0 "[ . 1]" 1
10 1 78 MET ME 1 132 GLY H 3.000 . 4.200 3.572 3.112 4.011 . 0 0 "[ . 1]" 1
11 1 79 VAL MG2 1 132 GLY H 2.885 . 3.970 2.633 2.341 2.878 . 0 0 "[ . 1]" 1
12 1 33 ARG HA 1 34 SER H 2.555 . 3.310 2.256 2.186 2.339 . 0 0 "[ . 1]" 1
13 1 32 THR MG 1 34 SER H 3.565 . 5.330 4.982 4.576 5.359 0.029 10 0 "[ . 1]" 1
14 1 33 ARG HB3 1 34 SER H 2.945 . 4.090 2.903 2.728 3.436 . 0 0 "[ . 1]" 1
15 1 33 ARG HB2 1 34 SER H 2.945 . 4.090 3.747 2.543 3.983 . 0 0 "[ . 1]" 1
16 1 11 SER HA 1 12 GLY H 2.555 . 3.310 2.196 2.162 2.227 . 0 0 "[ . 1]" 1
17 1 49 THR H 1 49 THR MG 2.920 . 4.040 2.582 2.390 2.739 . 0 0 "[ . 1]" 1
18 1 23 ALA MB 1 24 SER H 3.185 . 4.570 3.009 2.624 3.368 . 0 0 "[ . 1]" 1
19 1 84 THR H 1 84 THR MG 2.940 . 4.080 2.495 1.978 3.699 . 0 0 "[ . 1]" 1
20 1 40 TYR QD 1 41 VAL H 3.160 . 4.520 3.979 3.865 4.053 . 0 0 "[ . 1]" 1
21 1 40 TYR HA 1 41 VAL H 2.635 . 3.470 2.352 2.314 2.386 . 0 0 "[ . 1]" 1
22 1 7 LEU HB2 1 41 VAL H 3.125 . 4.450 3.171 2.871 3.402 . 0 0 "[ . 1]" 1
23 1 50 GLU H 1 51 GLN H 3.005 . 4.210 2.534 2.313 2.706 . 0 0 "[ . 1]" 1
24 1 148 VAL H 1 150 THR H 3.130 . 4.460 4.120 4.038 4.265 . 0 0 "[ . 1]" 1
25 1 150 THR H 1 150 THR HB 2.515 . 3.230 2.303 2.112 2.647 . 0 0 "[ . 1]" 1
26 1 149 ILE HB 1 150 THR H 2.820 . 3.840 2.425 2.296 2.557 . 0 0 "[ . 1]" 1
27 1 150 THR H 1 150 THR MG 2.775 . 3.750 3.257 2.171 3.685 . 0 0 "[ . 1]" 1
28 1 149 ILE MD 1 150 THR H 3.210 . 4.620 4.482 4.373 4.595 . 0 0 "[ . 1]" 1
29 1 149 ILE HA 1 150 THR H 2.680 . 3.560 3.531 3.480 3.579 0.019 1 0 "[ . 1]" 1
30 1 94 LEU H 1 95 TYR H 2.915 . 4.030 2.669 2.575 2.763 . 0 0 "[ . 1]" 1
31 1 94 LEU HB3 1 95 TYR H 2.870 . 3.940 2.592 2.505 2.725 . 0 0 "[ . 1]" 1
32 1 94 LEU HB2 1 95 TYR H 3.055 . 4.310 3.714 3.383 3.951 . 0 0 "[ . 1]" 1
33 1 142 VAL HB 1 143 ASN H 2.710 . 3.620 2.774 2.720 2.821 . 0 0 "[ . 1]" 1
34 1 142 VAL MG1 1 143 ASN H 2.795 . 3.790 3.498 3.444 3.557 . 0 0 "[ . 1]" 1
35 1 16 TRP HB2 1 17 GLN H 3.040 . 4.280 2.933 2.536 4.096 . 0 0 "[ . 1]" 1
36 1 16 TRP HB3 1 17 GLN H 3.040 . 4.280 3.758 3.047 3.973 . 0 0 "[ . 1]" 1
37 1 78 MET H 1 79 VAL H 3.235 . 4.670 4.473 4.420 4.495 . 0 0 "[ . 1]" 1
38 1 78 MET HA 1 79 VAL H 2.510 . 3.220 2.231 2.210 2.254 . 0 0 "[ . 1]" 1
39 1 78 MET HG2 1 79 VAL H 3.310 . 4.820 4.121 3.767 4.830 0.010 5 0 "[ . 1]" 1
40 1 78 MET ME 1 79 VAL H 3.085 . 4.370 3.282 2.939 3.554 . 0 0 "[ . 1]" 1
41 1 79 VAL H 1 79 VAL MG2 2.635 . 3.470 2.295 2.173 2.463 . 0 0 "[ . 1]" 1
42 1 79 VAL H 1 79 VAL MG1 2.895 . 3.990 2.894 2.736 3.002 . 0 0 "[ . 1]" 1
43 1 63 GLN H 1 64 GLN H 3.095 . 4.390 2.585 2.519 2.682 . 0 0 "[ . 1]" 1
44 1 10 TRP H 1 39 VAL H 3.110 . 4.420 3.362 3.183 3.561 . 0 0 "[ . 1]" 1
45 1 25 VAL H 1 25 VAL HB 2.745 . 3.690 2.998 2.533 3.663 . 0 0 "[ . 1]" 1
46 1 10 TRP H 1 11 SER H 3.070 . 4.340 4.224 4.131 4.297 . 0 0 "[ . 1]" 1
47 1 10 TRP HA 1 11 SER H 2.370 . 2.940 2.200 2.101 2.277 . 0 0 "[ . 1]" 1
48 1 10 TRP HB2 1 11 SER H 3.165 . 4.530 4.002 3.946 4.152 . 0 0 "[ . 1]" 1
49 1 105 CYS HA 1 106 VAL H 2.650 . 3.500 2.133 2.079 2.175 . 0 0 "[ . 1]" 1
50 1 106 VAL H 1 106 VAL HB 2.810 . 3.820 2.526 2.479 2.586 . 0 0 "[ . 1]" 1
51 1 9 ALA H 1 9 ALA MB 2.730 . 3.660 2.404 2.357 2.491 . 0 0 "[ . 1]" 1
52 1 10 TRP HE1 1 54 GLN HA 2.795 . 3.790 2.965 2.396 3.265 . 0 0 "[ . 1]" 1
53 1 10 TRP HE1 1 12 GLY HA2 2.930 . 4.060 3.928 3.643 4.064 0.004 1 0 "[ . 1]" 1
54 1 14 LEU H 1 14 LEU HG 3.220 . 4.640 3.668 2.783 4.555 . 0 0 "[ . 1]" 1
55 1 57 ILE MG 1 58 MET H 2.800 . 3.800 2.818 2.651 2.939 . 0 0 "[ . 1]" 1
56 1 105 CYS HA 1 121 LEU H 3.145 . 4.490 3.140 2.887 3.433 . 0 0 "[ . 1]" 1
57 1 121 LEU H 1 121 LEU HB3 2.885 . 3.970 2.546 2.474 2.793 . 0 0 "[ . 1]" 1
58 1 121 LEU H 1 121 LEU HB2 2.885 . 3.970 2.820 2.619 3.047 . 0 0 "[ . 1]" 1
59 1 14 LEU HA 1 15 GLU H 2.675 . 3.550 2.155 2.095 2.241 . 0 0 "[ . 1]" 1
60 1 15 GLU H 1 15 GLU HB2 2.785 . 3.770 2.619 2.439 2.897 . 0 0 "[ . 1]" 1
61 1 7 LEU HA 1 8 LEU H 2.505 . 3.210 2.224 2.131 2.269 . 0 0 "[ . 1]" 1
62 1 8 LEU H 1 8 LEU HB3 2.625 . 3.450 2.550 2.421 2.809 . 0 0 "[ . 1]" 1
63 1 8 LEU H 1 8 LEU HB2 2.625 . 3.450 2.522 2.278 2.652 . 0 0 "[ . 1]" 1
64 1 32 THR HA 1 33 ARG H 2.590 . 3.380 2.244 2.041 2.388 . 0 0 "[ . 1]" 1
65 1 59 GLN HA 1 60 LEU H 2.600 . 3.400 2.155 2.080 2.212 . 0 0 "[ . 1]" 1
66 1 59 GLN HB2 1 60 LEU H 3.575 . 5.350 4.193 4.047 4.387 . 0 0 "[ . 1]" 1
67 1 59 GLN HB3 1 60 LEU H 3.575 . 5.350 3.641 3.092 4.252 . 0 0 "[ . 1]" 1
68 1 60 LEU H 1 60 LEU HB3 2.930 . 4.060 3.618 3.588 3.658 . 0 0 "[ . 1]" 1
69 1 60 LEU H 1 60 LEU HG 2.920 . 4.040 3.089 2.392 4.063 0.023 9 0 "[ . 1]" 1
70 1 60 LEU H 1 60 LEU HB2 2.930 . 4.060 2.464 2.414 2.522 . 0 0 "[ . 1]" 1
71 1 60 LEU H 1 60 LEU MD1 2.960 . 4.120 3.497 2.347 3.814 . 0 0 "[ . 1]" 1
72 1 60 LEU H 1 60 LEU MD2 2.960 . 4.120 3.127 2.081 4.129 0.009 2 0 "[ . 1]" 1
73 1 80 GLN HA 1 81 PHE H 2.660 . 3.520 2.109 2.073 2.187 . 0 0 "[ . 1]" 1
74 1 49 THR HA 1 52 TRP HE1 3.210 . 4.620 3.730 3.164 4.135 . 0 0 "[ . 1]" 1
75 1 40 TYR H 1 40 TYR QD 3.125 . 4.450 2.758 2.638 2.870 . 0 0 "[ . 1]" 1
76 1 39 VAL MG2 1 40 TYR H 3.155 . 4.510 4.007 3.943 4.096 . 0 0 "[ . 1]" 1
77 1 39 VAL MG1 1 40 TYR H 3.155 . 4.510 2.755 2.693 2.788 . 0 0 "[ . 1]" 1
78 1 56 LEU H 1 57 ILE H 3.185 . 4.570 4.488 4.443 4.549 . 0 0 "[ . 1]" 1
79 1 55 LYS HA 1 56 LEU H 2.625 . 3.450 2.110 2.058 2.192 . 0 0 "[ . 1]" 1
80 1 121 LEU HA 1 122 LEU H 2.660 . 3.520 2.085 2.068 2.098 . 0 0 "[ . 1]" 1
81 1 121 LEU HB3 1 122 LEU H 3.415 . 5.030 4.141 3.955 4.330 . 0 0 "[ . 1]" 1
82 1 122 LEU H 1 122 LEU HG 3.520 . 5.240 3.259 3.156 3.432 . 0 0 "[ . 1]" 1
83 1 121 LEU HB2 1 122 LEU H 3.415 . 5.030 4.260 4.179 4.432 . 0 0 "[ . 1]" 1
84 1 133 LEU H 1 133 LEU HB2 2.760 . 3.720 2.589 2.520 2.670 . 0 0 "[ . 1]" 1
85 1 58 MET HA 1 59 GLN H 2.665 . 3.530 2.109 2.060 2.190 . 0 0 "[ . 1]" 1
86 1 77 ARG HA 1 78 MET H 2.525 . 3.250 2.454 2.282 2.656 . 0 0 "[ . 1]" 1
87 1 134 ILE H 1 134 ILE HB 2.885 . 3.970 2.721 2.412 3.244 . 0 0 "[ . 1]" 1
88 1 133 LEU HB2 1 134 ILE H 3.160 . 4.520 4.115 4.002 4.265 . 0 0 "[ . 1]" 1
89 1 133 LEU HG 1 134 ILE H 3.270 . 4.740 3.931 3.816 4.109 . 0 0 "[ . 1]" 1
90 1 134 ILE H 1 134 ILE MG 2.760 . 3.720 3.055 1.974 3.778 0.058 7 0 "[ . 1]" 1
91 1 81 PHE HA 1 82 HIS H 2.660 . 3.520 2.067 2.008 2.114 . 0 0 "[ . 1]" 1
92 1 81 PHE HB3 1 82 HIS H 3.150 . 4.500 3.407 3.162 3.575 . 0 0 "[ . 1]" 1
93 1 81 PHE HB2 1 82 HIS H 3.150 . 4.500 4.336 4.195 4.421 . 0 0 "[ . 1]" 1
94 1 130 PHE HA 1 131 MET H 2.585 . 3.370 2.165 2.118 2.196 . 0 0 "[ . 1]" 1
95 1 34 SER HA 1 35 LEU H 2.675 . 3.550 2.208 2.127 2.384 . 0 0 "[ . 1]" 1
96 1 35 LEU H 1 35 LEU HB2 2.755 . 3.710 2.757 2.627 3.151 . 0 0 "[ . 1]" 1
97 1 103 ALA H 1 103 ALA MB 2.890 . 3.980 2.459 2.362 2.523 . 0 0 "[ . 1]" 1
98 1 14 LEU H 1 35 LEU H 2.895 . 3.990 2.818 2.687 3.001 . 0 0 "[ . 1]" 1
99 1 56 LEU HA 1 57 ILE H 2.630 . 3.460 2.324 2.270 2.355 . 0 0 "[ . 1]" 1
100 1 57 ILE H 1 57 ILE HB 2.745 . 3.690 2.548 2.480 2.608 . 0 0 "[ . 1]" 1
101 1 57 ILE H 1 57 ILE MG 2.855 . 3.910 3.819 3.788 3.852 . 0 0 "[ . 1]" 1
102 1 145 ILE H 1 145 ILE HB 2.880 . 3.960 2.486 2.429 2.559 . 0 0 "[ . 1]" 1
103 1 145 ILE H 1 145 ILE MG 2.875 . 3.950 3.781 3.770 3.801 . 0 0 "[ . 1]" 1
104 1 145 ILE H 1 145 ILE MD 3.255 . 4.710 3.325 3.176 3.481 . 0 0 "[ . 1]" 1
105 1 79 VAL HB 1 80 GLN H 2.550 . 3.300 2.493 2.355 2.678 . 0 0 "[ . 1]" 1
106 1 79 VAL MG2 1 80 GLN H 2.665 . 3.530 3.313 3.048 3.524 . 0 0 "[ . 1]" 1
107 1 130 PHE H 1 131 MET H 3.260 . 4.720 4.407 4.359 4.434 . 0 0 "[ . 1]" 1
108 1 130 PHE H 1 130 PHE QD 3.120 . 4.440 2.370 2.294 2.491 . 0 0 "[ . 1]" 1
109 1 129 ILE HB 1 130 PHE H 3.015 . 4.230 2.161 2.088 2.251 . 0 0 "[ . 1]" 1
110 1 129 ILE MD 1 130 PHE H 2.970 . 4.140 3.247 3.090 3.380 . 0 0 "[ . 1]" 1
111 1 25 VAL HB 1 26 ASP H 3.120 . 4.440 3.778 2.090 4.414 . 0 0 "[ . 1]" 1
112 1 51 GLN H 1 52 TRP H 2.945 . 4.090 2.443 2.278 2.609 . 0 0 "[ . 1]" 1
113 1 52 TRP H 1 52 TRP HD1 3.015 . 4.230 2.906 2.680 3.154 . 0 0 "[ . 1]" 1
114 1 52 TRP H 1 52 TRP HB3 2.855 . 3.910 3.563 3.529 3.595 . 0 0 "[ . 1]" 1
115 1 52 TRP H 1 52 TRP HB2 2.855 . 3.910 2.323 2.272 2.373 . 0 0 "[ . 1]" 1
116 1 51 GLN HB3 1 52 TRP H 3.310 . 4.820 4.051 3.170 4.478 . 0 0 "[ . 1]" 1
117 1 51 GLN HB2 1 52 TRP H 3.310 . 4.820 4.007 3.359 4.424 . 0 0 "[ . 1]" 1
118 1 95 TYR H 1 95 TYR QD 3.155 . 4.510 2.293 2.165 2.421 . 0 0 "[ . 1]" 1
119 1 64 GLN H 1 65 LEU H 2.610 . 3.420 2.726 2.599 2.791 . 0 0 "[ . 1]" 1
120 1 128 LYS H 1 129 ILE HA 3.650 . 5.500 5.279 5.140 5.450 . 0 0 "[ . 1]" 1
121 1 66 LEU H 1 66 LEU HB3 2.740 . 3.680 2.418 2.270 2.554 . 0 0 "[ . 1]" 1
122 1 66 LEU H 1 66 LEU HB2 2.740 . 3.680 2.573 2.488 2.651 . 0 0 "[ . 1]" 1
123 1 66 LEU H 1 66 LEU MD1 3.385 . 4.970 4.127 4.037 4.168 . 0 0 "[ . 1]" 1
124 1 66 LEU H 1 66 LEU MD2 3.385 . 4.970 4.186 3.993 4.256 . 0 0 "[ . 1]" 1
125 1 65 LEU H 1 66 LEU H 2.615 . 3.430 2.467 2.341 2.627 . 0 0 "[ . 1]" 1
126 1 72 LEU H 1 72 LEU HB3 2.955 . 4.110 3.035 2.397 3.653 . 0 0 "[ . 1]" 1
127 1 72 LEU H 1 72 LEU HB2 2.955 . 4.110 2.514 2.406 2.636 . 0 0 "[ . 1]" 1
128 1 72 LEU H 1 72 LEU MD1 3.300 . 4.800 3.858 3.459 4.175 . 0 0 "[ . 1]" 1
129 1 72 LEU H 1 72 LEU MD2 3.300 . 4.800 3.151 2.008 4.248 . 0 0 "[ . 1]" 1
130 1 75 ASN H 1 76 SER H 3.015 . 4.230 3.687 3.452 3.843 . 0 0 "[ . 1]" 1
131 1 75 ASN HA 1 76 SER H 2.630 . 3.460 2.183 2.077 2.295 . 0 0 "[ . 1]" 1
132 1 76 SER H 1 76 SER HB3 2.870 . 3.940 3.894 3.813 3.947 0.007 3 0 "[ . 1]" 1
133 1 28 ASN H 1 29 THR H 3.180 . 4.560 3.728 2.319 4.573 0.013 6 0 "[ . 1]" 1
134 1 29 THR H 1 29 THR MG 3.050 . 4.300 3.400 2.306 3.928 . 0 0 "[ . 1]" 1
135 1 72 LEU HB3 1 73 PHE H 3.250 . 4.700 3.197 2.512 3.708 . 0 0 "[ . 1]" 1
136 1 112 ALA H 1 112 ALA MB 2.860 . 3.920 2.228 2.202 2.260 . 0 0 "[ . 1]" 1
137 1 94 LEU H 1 94 LEU HB3 2.800 . 3.800 2.607 2.318 3.110 . 0 0 "[ . 1]" 1
138 1 94 LEU H 1 94 LEU HB2 2.780 . 3.760 2.335 2.104 2.527 . 0 0 "[ . 1]" 1
139 1 46 ASN HA 1 47 LEU H 2.550 . 3.300 2.167 2.083 2.206 . 0 0 "[ . 1]" 1
140 1 47 LEU H 1 47 LEU HG 3.075 . 4.350 3.612 3.269 4.357 0.007 9 0 "[ . 1]" 1
141 1 83 PHE H 1 83 PHE QD 3.120 . 4.440 2.501 2.183 2.815 . 0 0 "[ . 1]" 1
142 1 94 LEU H 1 94 LEU HG 3.050 . 4.300 4.264 3.992 4.373 0.073 1 0 "[ . 1]" 1
143 1 91 LEU H 1 92 LYS H 2.895 . 3.990 2.636 2.532 2.730 . 0 0 "[ . 1]" 1
144 1 91 LEU H 1 91 LEU HB3 2.860 . 3.920 3.601 3.548 3.662 . 0 0 "[ . 1]" 1
145 1 91 LEU H 1 91 LEU HB2 2.790 . 3.780 2.404 2.291 2.469 . 0 0 "[ . 1]" 1
146 1 43 HIS HA 1 45 GLU H 2.860 . 3.920 2.883 2.436 3.145 . 0 0 "[ . 1]" 1
147 1 45 GLU H 1 45 GLU HB3 2.870 . 3.940 2.859 2.329 3.590 . 0 0 "[ . 1]" 1
148 1 45 GLU H 1 45 GLU HB2 2.870 . 3.940 3.378 2.608 3.795 . 0 0 "[ . 1]" 1
149 1 7 LEU MD2 1 45 GLU H 3.450 . 5.100 4.682 3.959 5.121 0.021 5 0 "[ . 1]" 1
150 1 66 LEU HG 1 67 THR H 3.470 . 5.140 4.519 4.261 5.034 . 0 0 "[ . 1]" 1
151 1 67 THR H 1 67 THR MG 2.875 . 3.950 3.088 2.091 3.705 . 0 0 "[ . 1]" 1
152 1 31 LEU HA 1 32 THR H 2.390 . 2.980 2.161 2.022 2.289 . 0 0 "[ . 1]" 1
153 1 32 THR H 1 32 THR HB 2.685 . 3.570 2.634 2.441 2.811 . 0 0 "[ . 1]" 1
154 1 32 THR H 1 33 ARG H 3.345 . 4.890 4.447 4.189 4.636 . 0 0 "[ . 1]" 1
155 1 145 ILE HA 1 148 VAL H 2.830 . 3.860 3.065 2.950 3.143 . 0 0 "[ . 1]" 1
156 1 148 VAL H 1 148 VAL HB 2.540 . 3.280 2.574 2.527 2.624 . 0 0 "[ . 1]" 1
157 1 54 GLN H 1 55 LYS H 2.685 . 3.570 2.425 2.252 2.557 . 0 0 "[ . 1]" 1
158 1 53 PRO QB 1 55 LYS H 2.575 . 3.350 2.474 2.219 2.806 . 0 0 "[ . 1]" 1
159 1 92 LYS H 1 92 LYS HB3 2.590 . 3.380 2.522 2.356 2.624 . 0 0 "[ . 1]" 1
160 1 97 ILE H 1 97 ILE HB 2.695 . 3.590 2.529 2.386 2.596 . 0 0 "[ . 1]" 1
161 1 97 ILE H 1 97 ILE HG12 3.085 . 4.370 3.412 3.338 3.499 . 0 0 "[ . 1]" 1
162 1 9 ALA H 1 10 TRP H 2.625 . 3.450 2.249 2.089 2.392 . 0 0 "[ . 1]" 1
163 1 10 TRP H 1 39 VAL HB 2.870 . 3.940 2.897 2.719 3.127 . 0 0 "[ . 1]" 1
164 1 9 ALA MB 1 10 TRP H 2.695 . 3.590 2.408 2.203 2.648 . 0 0 "[ . 1]" 1
165 1 97 ILE HA 1 100 ASN H 2.810 . 3.820 3.586 3.432 3.764 . 0 0 "[ . 1]" 1
166 1 100 ASN H 1 101 GLY H 2.765 . 3.730 2.510 2.423 2.596 . 0 0 "[ . 1]" 1
167 1 142 VAL H 1 142 VAL HB 2.590 . 3.380 2.524 2.492 2.558 . 0 0 "[ . 1]" 1
168 1 142 VAL H 1 142 VAL MG2 2.545 . 3.290 2.197 2.170 2.226 . 0 0 "[ . 1]" 1
169 1 148 VAL HB 1 149 ILE H 2.820 . 3.840 2.510 2.393 2.674 . 0 0 "[ . 1]" 1
170 1 149 ILE H 1 149 ILE HB 2.690 . 3.580 2.518 2.439 2.626 . 0 0 "[ . 1]" 1
171 1 145 ILE MG 1 149 ILE H 3.080 . 4.360 3.490 3.291 3.582 . 0 0 "[ . 1]" 1
172 1 149 ILE H 1 149 ILE MG 3.380 . 4.960 3.780 3.755 3.810 . 0 0 "[ . 1]" 1
173 1 148 VAL H 1 149 ILE H 2.700 . 3.600 2.670 2.611 2.760 . 0 0 "[ . 1]" 1
174 1 96 ARG H 1 96 ARG HA 2.345 . 2.890 2.815 2.794 2.835 . 0 0 "[ . 1]" 1
175 1 74 ARG H 1 74 ARG QB 2.530 . 3.260 2.403 2.193 2.562 . 0 0 "[ . 1]" 1
176 1 71 PRO HA 1 74 ARG H 2.940 . 4.080 3.628 3.427 3.789 . 0 0 "[ . 1]" 1
177 1 147 GLN HA 1 151 ASN H 3.010 . 4.220 4.019 3.829 4.231 0.011 2 0 "[ . 1]" 1
178 1 149 ILE HB 1 151 ASN H 3.345 . 4.890 4.909 4.836 4.938 0.048 4 0 "[ . 1]" 1
179 1 150 THR MG 1 151 ASN H 2.985 . 4.170 3.001 2.272 3.416 . 0 0 "[ . 1]" 1
180 1 41 VAL HA 1 42 ASN H 2.530 . 3.260 2.127 2.094 2.167 . 0 0 "[ . 1]" 1
181 1 41 VAL HB 1 42 ASN H 2.895 . 3.990 2.920 2.793 3.060 . 0 0 "[ . 1]" 1
182 1 37 CYS HB3 1 38 GLN H 3.025 . 4.250 3.639 2.977 3.807 . 0 0 "[ . 1]" 1
183 1 37 CYS HB2 1 38 GLN H 3.025 . 4.250 2.522 2.336 3.210 . 0 0 "[ . 1]" 1
184 1 136 TYR H 1 137 ASP H 3.080 . 4.360 2.493 2.297 2.693 . 0 0 "[ . 1]" 1
185 1 137 ASP H 1 137 ASP HB3 2.790 . 3.780 2.810 2.557 3.630 . 0 0 "[ . 1]" 1
186 1 137 ASP H 1 137 ASP HB2 2.790 . 3.780 2.615 2.286 2.848 . 0 0 "[ . 1]" 1
187 1 36 PRO HB3 1 37 CYS H 2.970 . 4.140 3.621 3.380 4.074 . 0 0 "[ . 1]" 1
188 1 123 TYR QD 1 124 SER H 2.990 . 4.180 3.023 2.770 3.316 . 0 0 "[ . 1]" 1
189 1 123 TYR HA 1 124 SER H 2.630 . 3.460 2.150 2.117 2.176 . 0 0 "[ . 1]" 1
190 1 124 SER H 1 124 SER HB3 2.960 . 4.120 2.871 2.430 3.645 . 0 0 "[ . 1]" 1
191 1 124 SER H 1 124 SER HB2 2.960 . 4.120 3.026 2.509 3.680 . 0 0 "[ . 1]" 1
192 1 88 LEU H 1 88 LEU HG 3.375 . 4.950 2.320 1.770 2.653 0.030 10 0 "[ . 1]" 1
193 1 148 VAL HA 1 152 LEU H 3.315 . 4.830 4.060 3.925 4.213 . 0 0 "[ . 1]" 1
194 1 149 ILE HA 1 152 LEU H 3.405 . 5.010 3.459 3.368 3.578 . 0 0 "[ . 1]" 1
195 1 152 LEU H 1 152 LEU MD1 3.515 . 5.230 4.088 3.553 4.244 . 0 0 "[ . 1]" 1
196 1 152 LEU H 1 152 LEU MD2 3.515 . 5.230 4.100 3.450 4.211 . 0 0 "[ . 1]" 1
197 1 23 ALA H 1 23 ALA MB 2.720 . 3.640 2.292 2.242 2.363 . 0 0 "[ . 1]" 1
198 1 60 LEU HA 1 61 ILE H 2.675 . 3.550 2.070 2.007 2.145 . 0 0 "[ . 1]" 1
199 1 61 ILE H 1 61 ILE MG 2.950 . 4.100 3.083 2.850 3.216 . 0 0 "[ . 1]" 1
200 1 122 LEU HB3 1 123 TYR H 2.725 . 3.650 2.929 2.730 3.256 . 0 0 "[ . 1]" 1
201 1 98 MET ME 1 123 TYR H 2.840 . 3.880 3.178 2.225 3.846 . 0 0 "[ . 1]" 1
202 1 122 LEU HA 1 123 TYR H 2.615 . 3.430 2.220 2.135 2.262 . 0 0 "[ . 1]" 1
203 1 118 VAL H 1 118 VAL HB 2.830 . 3.860 3.882 3.829 3.910 0.050 8 0 "[ . 1]" 1
204 1 145 ILE H 1 146 ARG H 2.810 . 3.820 2.678 2.627 2.720 . 0 0 "[ . 1]" 1
205 1 145 ILE MG 1 146 ARG H 2.820 . 3.840 3.523 3.406 3.755 . 0 0 "[ . 1]" 1
206 1 76 SER HA 1 77 ARG H 2.560 . 3.320 2.390 2.265 2.476 . 0 0 "[ . 1]" 1
207 1 8 LEU H 1 8 LEU HG 3.225 . 4.650 4.504 4.295 4.647 . 0 0 "[ . 1]" 1
208 1 97 ILE H 1 98 MET H 2.970 . 4.140 2.720 2.617 2.778 . 0 0 "[ . 1]" 1
209 1 98 MET H 1 98 MET HG3 3.235 . 4.670 3.339 2.317 3.840 . 0 0 "[ . 1]" 1
210 1 97 ILE HB 1 98 MET H 2.880 . 3.960 2.501 2.414 2.577 . 0 0 "[ . 1]" 1
211 1 97 ILE MG 1 98 MET H 2.960 . 4.120 3.290 3.111 3.464 . 0 0 "[ . 1]" 1
212 1 98 MET H 1 98 MET HG2 3.235 . 4.670 2.848 2.123 3.562 . 0 0 "[ . 1]" 1
213 1 85 ASN HA 1 87 ASP H 3.080 . 4.360 3.633 3.177 4.025 . 0 0 "[ . 1]" 1
214 1 97 ILE MG 1 102 PHE H 3.285 . 4.770 4.147 3.919 4.388 . 0 0 "[ . 1]" 1
215 1 102 PHE H 1 102 PHE QD 3.065 . 4.330 3.296 3.117 3.475 . 0 0 "[ . 1]" 1
216 1 69 LEU MD1 1 70 GLY H 3.650 . 5.500 4.709 4.203 5.341 . 0 0 "[ . 1]" 1
217 1 69 LEU MD2 1 70 GLY H 3.650 . 5.500 4.780 4.020 5.493 . 0 0 "[ . 1]" 1
218 1 68 THR HB 1 69 LEU H 2.925 . 4.050 3.297 2.919 4.113 0.063 4 0 "[ . 1]" 1
219 1 69 LEU H 1 69 LEU HG 3.135 . 4.470 3.631 2.496 4.514 0.044 7 0 "[ . 1]" 1
220 1 69 LEU H 1 69 LEU MD1 3.055 . 4.310 3.328 2.258 3.842 . 0 0 "[ . 1]" 1
221 1 69 LEU H 1 69 LEU MD2 3.055 . 4.310 3.398 2.250 4.155 . 0 0 "[ . 1]" 1
222 1 116 VAL H 1 116 VAL HB 2.755 . 3.710 2.923 2.560 3.737 0.027 9 0 "[ . 1]" 1
223 1 76 SER HB2 1 77 ARG H 2.865 . 3.930 3.449 3.374 3.584 . 0 0 "[ . 1]" 1
224 1 137 ASP HA 1 138 GLN H 2.610 . 3.420 2.136 2.020 2.304 . 0 0 "[ . 1]" 1
225 1 16 TRP H 1 16 TRP HD1 3.095 . 4.390 2.869 2.510 4.264 . 0 0 "[ . 1]" 1
226 1 16 TRP H 1 32 THR MG 3.015 . 4.230 3.018 2.652 3.745 . 0 0 "[ . 1]" 1
227 1 15 GLU HB3 1 16 TRP H 3.060 . 4.320 3.471 2.493 4.062 . 0 0 "[ . 1]" 1
228 1 141 PHE H 1 141 PHE HB3 2.645 . 3.490 2.603 2.428 2.688 . 0 0 "[ . 1]" 1
229 1 141 PHE H 1 141 PHE QD 3.100 . 4.400 4.181 4.131 4.235 . 0 0 "[ . 1]" 1
230 1 30 LYS HA 1 31 LEU H 2.575 . 3.350 2.576 2.105 3.428 0.078 8 0 "[ . 1]" 1
231 1 27 ALA H 1 27 ALA MB 2.650 . 3.500 2.274 2.249 2.304 . 0 0 "[ . 1]" 1
232 1 13 VAL H 1 37 CYS H 3.580 . 5.360 4.834 4.735 4.935 . 0 0 "[ . 1]" 1
233 1 13 VAL H 1 56 LEU H 3.650 . 5.500 4.413 3.996 4.896 . 0 0 "[ . 1]" 1
234 1 13 VAL H 1 55 LYS HA 3.025 . 4.250 3.273 3.061 3.530 . 0 0 "[ . 1]" 1
235 1 13 VAL H 1 13 VAL HB 2.855 . 3.910 2.574 2.524 2.652 . 0 0 "[ . 1]" 1
236 1 63 GLN H 1 102 PHE HA 2.895 . 3.990 2.257 2.041 2.531 . 0 0 "[ . 1]" 1
237 1 62 PRO HA 1 63 GLN H 2.560 . 3.320 2.127 2.085 2.168 . 0 0 "[ . 1]" 1
238 1 58 MET HA 1 107 HIS H 3.335 . 4.870 3.337 3.178 3.819 . 0 0 "[ . 1]" 1
239 1 10 TRP HB2 1 10 TRP HE1 3.345 . 4.890 4.828 4.796 4.854 . 0 0 "[ . 1]" 1
240 1 109 PRO HA 1 110 HIS H 2.330 . 2.860 2.327 2.102 3.047 0.187 8 0 "[ . 1]" 1
241 1 136 TYR H 1 136 TYR HB3 2.900 . 4.000 3.577 3.562 3.617 . 0 0 "[ . 1]" 1
242 1 136 TYR H 1 136 TYR HB2 2.900 . 4.000 2.508 2.358 2.636 . 0 0 "[ . 1]" 1
243 1 128 LYS H 1 129 ILE H 2.455 . 3.110 2.681 2.506 2.882 . 0 0 "[ . 1]" 1
244 1 128 LYS HA 1 129 ILE H 2.635 . 3.470 2.798 2.493 2.926 . 0 0 "[ . 1]" 1
245 1 129 ILE H 1 129 ILE MD 2.760 . 3.720 3.032 2.901 3.223 . 0 0 "[ . 1]" 1
246 1 57 ILE MG 1 59 GLN H 3.245 . 4.690 4.116 3.789 4.393 . 0 0 "[ . 1]" 1
247 1 118 VAL HA 1 119 LEU H 2.635 . 3.470 2.519 2.366 2.607 . 0 0 "[ . 1]" 1
248 1 118 VAL HB 1 119 LEU H 2.675 . 3.550 2.362 2.202 2.551 . 0 0 "[ . 1]" 1
249 1 73 PHE H 1 73 PHE QD 2.950 . 4.100 2.710 2.071 3.175 . 0 0 "[ . 1]" 1
250 1 122 LEU HB3 1 131 MET H 3.285 . 4.770 4.573 4.396 4.773 0.003 3 0 "[ . 1]" 1
251 1 49 THR H 1 50 GLU H 3.300 . 4.800 2.624 2.286 3.153 . 0 0 "[ . 1]" 1
252 1 139 SER HA 1 142 VAL H 3.200 . 4.600 4.019 3.941 4.130 . 0 0 "[ . 1]" 1
253 1 142 VAL H 1 143 ASN H 2.955 . 4.110 2.645 2.606 2.679 . 0 0 "[ . 1]" 1
254 1 29 THR HA 1 30 LYS H 2.530 . 3.260 2.660 2.150 3.395 0.135 6 0 "[ . 1]" 1
255 1 72 LEU HB2 1 73 PHE H 3.250 . 4.700 3.342 2.570 4.068 . 0 0 "[ . 1]" 1
256 1 72 LEU HG 1 73 PHE H 3.555 . 5.310 4.596 3.749 5.253 . 0 0 "[ . 1]" 1
257 1 81 PHE H 1 82 HIS H 3.315 . 4.830 4.246 4.180 4.322 . 0 0 "[ . 1]" 1
258 1 85 ASN HA 1 88 LEU H 3.455 . 5.110 5.141 4.904 5.410 0.300 2 0 "[ . 1]" 1
259 1 108 PHE H 1 108 PHE QD 3.180 . 4.560 2.181 2.030 2.601 . 0 0 "[ . 1]" 1
260 1 106 VAL H 1 107 HIS H 3.195 . 4.590 4.254 4.231 4.275 . 0 0 "[ . 1]" 1
261 1 93 GLY H 1 94 LEU H 2.835 . 3.870 2.652 2.568 2.759 . 0 0 "[ . 1]" 1
262 1 138 GLN H 1 139 SER H 3.015 . 4.230 2.632 2.550 2.698 . 0 0 "[ . 1]" 1
263 1 120 MET H 1 121 LEU H 3.185 . 4.570 4.363 4.258 4.485 . 0 0 "[ . 1]" 1
264 1 129 ILE H 1 130 PHE H 3.445 . 5.090 4.452 4.376 4.538 . 0 0 "[ . 1]" 1
265 1 94 LEU HA 1 97 ILE H 3.010 . 4.220 3.376 3.262 3.493 . 0 0 "[ . 1]" 1
266 1 91 LEU HA 1 95 TYR H 3.190 . 4.580 3.726 3.377 3.918 . 0 0 "[ . 1]" 1
267 1 92 LYS HA 1 95 TYR H 3.320 . 4.840 3.660 3.371 3.856 . 0 0 "[ . 1]" 1
268 1 91 LEU HB2 1 92 LYS H 3.165 . 4.530 2.792 2.407 3.381 . 0 0 "[ . 1]" 1
269 1 59 GLN H 1 105 CYS H 3.035 . 4.270 3.267 2.942 3.589 . 0 0 "[ . 1]" 1
270 1 78 MET H 1 133 LEU HG 3.125 . 4.450 4.589 4.548 4.621 0.171 5 0 "[ . 1]" 1
271 1 94 LEU HA 1 94 LEU MD1 2.885 . 3.970 3.139 2.128 3.843 . 0 0 "[ . 1]" 1
272 1 56 LEU HA 1 56 LEU HG 3.005 . 4.210 3.285 3.212 3.343 . 0 0 "[ . 1]" 1
273 1 56 LEU HA 1 56 LEU MD1 2.930 . 4.060 3.846 3.780 3.882 . 0 0 "[ . 1]" 1
274 1 56 LEU HA 1 56 LEU MD2 2.930 . 4.060 2.070 1.947 2.187 . 0 0 "[ . 1]" 1
275 1 47 LEU HB2 1 47 LEU MD1 2.710 . 3.620 2.365 2.235 3.154 . 0 0 "[ . 1]" 1
276 1 47 LEU HA 1 47 LEU MD1 3.030 . 4.260 4.054 3.525 4.132 . 0 0 "[ . 1]" 1
277 1 47 LEU HB3 1 47 LEU MD1 2.710 . 3.620 2.356 2.276 2.425 . 0 0 "[ . 1]" 1
278 1 47 LEU HA 1 47 LEU MD2 3.030 . 4.260 3.610 3.584 3.629 . 0 0 "[ . 1]" 1
279 1 47 LEU HB3 1 47 LEU MD2 2.710 . 3.620 2.492 2.329 3.245 . 0 0 "[ . 1]" 1
280 1 47 LEU HB2 1 47 LEU MD2 2.710 . 3.620 3.153 2.554 3.244 . 0 0 "[ . 1]" 1
281 1 121 LEU HB3 1 121 LEU MD1 2.905 . 4.010 3.092 2.330 3.187 . 0 0 "[ . 1]" 1
282 1 121 LEU HB2 1 121 LEU MD1 2.905 . 4.010 2.327 2.294 2.435 . 0 0 "[ . 1]" 1
283 1 121 LEU HB2 1 121 LEU MD2 2.905 . 4.010 2.458 2.350 3.224 . 0 0 "[ . 1]" 1
284 1 121 LEU HA 1 121 LEU HG 2.965 . 4.130 3.082 2.737 3.247 . 0 0 "[ . 1]" 1
285 1 121 LEU HA 1 121 LEU MD1 3.065 . 4.330 2.270 2.036 3.887 . 0 0 "[ . 1]" 1
286 1 121 LEU HA 1 121 LEU MD2 3.065 . 4.330 3.710 2.352 3.899 . 0 0 "[ . 1]" 1
287 1 121 LEU HB3 1 121 LEU MD2 2.905 . 4.010 2.363 2.326 2.588 . 0 0 "[ . 1]" 1
288 1 94 LEU HA 1 94 LEU HG 2.820 . 3.840 2.839 2.526 3.342 . 0 0 "[ . 1]" 1
289 1 94 LEU HB3 1 94 LEU MD1 2.920 . 4.040 2.727 2.319 3.207 . 0 0 "[ . 1]" 1
290 1 94 LEU HB2 1 94 LEU MD1 2.885 . 3.970 2.338 2.190 2.460 . 0 0 "[ . 1]" 1
291 1 94 LEU HA 1 94 LEU MD2 2.885 . 3.970 3.172 2.103 3.908 . 0 0 "[ . 1]" 1
292 1 94 LEU HB3 1 94 LEU MD2 2.920 . 4.040 2.356 2.215 2.532 . 0 0 "[ . 1]" 1
293 1 94 LEU HB2 1 94 LEU MD2 2.885 . 3.970 2.860 2.298 3.214 . 0 0 "[ . 1]" 1
294 1 60 LEU HA 1 60 LEU MD2 2.950 . 4.100 2.560 2.072 3.772 . 0 0 "[ . 1]" 1
295 1 60 LEU HA 1 60 LEU MD1 2.950 . 4.100 3.229 2.044 3.913 . 0 0 "[ . 1]" 1
296 1 60 LEU HA 1 60 LEU HG 3.030 . 4.260 3.251 2.500 3.780 . 0 0 "[ . 1]" 1
297 1 7 LEU HA 1 7 LEU MD2 2.950 . 4.100 3.734 3.572 3.901 . 0 0 "[ . 1]" 1
298 1 7 LEU HA 1 7 LEU MD1 2.950 . 4.100 3.332 3.035 3.453 . 0 0 "[ . 1]" 1
299 1 7 LEU HB2 1 7 LEU MD1 3.010 . 4.220 2.255 2.117 2.370 . 0 0 "[ . 1]" 1
300 1 7 LEU HB2 1 7 LEU MD2 3.010 . 4.220 2.555 2.376 2.713 . 0 0 "[ . 1]" 1
301 1 7 LEU HB3 1 7 LEU MD2 2.980 . 4.160 2.238 2.154 2.323 . 0 0 "[ . 1]" 1
302 1 7 LEU HB3 1 7 LEU MD1 2.980 . 4.160 3.184 3.116 3.223 . 0 0 "[ . 1]" 1
303 1 7 LEU HA 1 7 LEU HG 2.625 . 3.450 2.724 2.612 2.800 . 0 0 "[ . 1]" 1
304 1 8 LEU HA 1 8 LEU HG 2.865 . 3.930 3.338 2.539 3.855 . 0 0 "[ . 1]" 1
305 1 8 LEU HA 1 8 LEU MD1 2.865 . 3.930 2.902 2.153 3.842 . 0 0 "[ . 1]" 1
306 1 8 LEU HB3 1 8 LEU MD1 2.735 . 3.670 2.714 2.364 3.219 . 0 0 "[ . 1]" 1
307 1 8 LEU HB2 1 8 LEU MD1 2.735 . 3.670 2.712 2.256 3.237 . 0 0 "[ . 1]" 1
308 1 8 LEU HA 1 8 LEU MD2 2.865 . 3.930 2.950 2.124 3.932 0.002 5 0 "[ . 1]" 1
309 1 8 LEU HB3 1 8 LEU MD2 2.735 . 3.670 2.701 2.313 3.229 . 0 0 "[ . 1]" 1
310 1 8 LEU HB2 1 8 LEU MD2 2.735 . 3.670 2.587 2.367 3.222 . 0 0 "[ . 1]" 1
311 1 63 GLN HA 1 63 GLN HG3 2.795 . 3.790 2.840 2.534 3.744 . 0 0 "[ . 1]" 1
312 1 63 GLN HA 1 63 GLN HG2 2.795 . 3.790 3.045 2.488 3.246 . 0 0 "[ . 1]" 1
313 1 80 GLN HA 1 80 GLN HG2 2.865 . 3.930 2.938 2.570 3.834 . 0 0 "[ . 1]" 1
314 1 80 GLN HA 1 80 GLN HG3 2.865 . 3.930 2.873 2.520 3.240 . 0 0 "[ . 1]" 1
315 1 150 THR HA 1 150 THR MG 2.830 . 3.860 2.768 2.530 3.245 . 0 0 "[ . 1]" 1
316 1 150 THR HA 1 150 THR HB 2.245 . 2.690 2.795 2.485 2.911 0.221 2 0 "[ . 1]" 1
317 1 147 GLN HA 1 150 THR MG 2.675 . 3.550 3.111 1.873 3.618 0.068 2 0 "[ . 1]" 1
318 1 41 VAL HA 1 79 VAL MG1 2.755 . 3.710 2.908 2.494 3.304 . 0 0 "[ . 1]" 1
319 1 79 VAL HA 1 79 VAL MG1 2.325 . 2.850 2.451 2.374 2.515 . 0 0 "[ . 1]" 1
320 1 3 VAL HA 1 3 VAL MG1 2.545 . 3.290 2.732 2.298 3.263 . 0 0 "[ . 1]" 1
321 1 3 VAL HA 1 3 VAL MG2 2.545 . 3.290 2.577 2.315 3.237 . 0 0 "[ . 1]" 1
322 1 39 VAL HA 1 39 VAL MG1 2.915 . 4.030 2.382 2.358 2.404 . 0 0 "[ . 1]" 1
323 1 39 VAL HA 1 39 VAL MG2 2.915 . 4.030 2.411 2.374 2.481 . 0 0 "[ . 1]" 1
324 1 106 VAL HA 1 106 VAL MG2 2.660 . 3.520 2.415 2.355 2.470 . 0 0 "[ . 1]" 1
325 1 106 VAL HA 1 106 VAL MG1 2.660 . 3.520 2.404 2.380 2.425 . 0 0 "[ . 1]" 1
326 1 118 VAL HA 1 118 VAL MG2 2.630 . 3.460 3.197 3.182 3.226 . 0 0 "[ . 1]" 1
327 1 118 VAL HA 1 118 VAL MG1 2.630 . 3.460 2.314 2.282 2.362 . 0 0 "[ . 1]" 1
328 1 67 THR HA 1 67 THR MG 2.385 . 2.970 2.386 2.254 3.155 0.185 9 0 "[ . 1]" 1
329 1 49 THR HA 1 49 THR MG 2.595 . 3.390 2.238 2.174 2.307 . 0 0 "[ . 1]" 1
330 1 32 THR HA 1 32 THR MG 2.405 . 3.010 2.260 2.204 2.298 . 0 0 "[ . 1]" 1
331 1 15 GLU HA 1 15 GLU HG3 2.985 . 4.170 2.731 2.416 3.071 . 0 0 "[ . 1]" 1
332 1 15 GLU HA 1 15 GLU HG2 2.985 . 4.170 2.613 2.229 3.132 . 0 0 "[ . 1]" 1
333 1 15 GLU HG2 1 34 SER HA 3.045 . 4.290 3.321 2.334 4.349 0.059 8 0 "[ . 1]" 1
334 1 15 GLU HG3 1 34 SER HA 3.045 . 4.290 3.309 2.512 4.300 0.010 5 0 "[ . 1]" 1
335 1 153 GLU HA 1 153 GLU HG3 2.795 . 3.790 3.338 3.089 3.756 . 0 0 "[ . 1]" 1
336 1 153 GLU HA 1 153 GLU HG2 2.795 . 3.790 2.688 2.515 3.093 . 0 0 "[ . 1]" 1
337 1 14 LEU HB2 1 14 LEU MD1 2.820 . 3.840 2.341 2.286 2.488 . 0 0 "[ . 1]" 1
338 1 14 LEU HA 1 14 LEU MD1 3.120 . 4.440 3.090 1.941 3.893 . 0 0 "[ . 1]" 1
339 1 14 LEU HB3 1 14 LEU MD1 2.820 . 3.840 2.757 2.291 3.236 . 0 0 "[ . 1]" 1
340 1 14 LEU HA 1 14 LEU MD2 3.120 . 4.440 2.992 2.130 3.866 . 0 0 "[ . 1]" 1
341 1 14 LEU HB3 1 14 LEU MD2 2.820 . 3.840 2.349 2.264 2.427 . 0 0 "[ . 1]" 1
342 1 14 LEU HB2 1 14 LEU MD2 2.820 . 3.840 2.784 2.315 3.200 . 0 0 "[ . 1]" 1
343 1 35 LEU HA 1 35 LEU MD2 2.995 . 4.190 2.434 1.986 3.875 . 0 0 "[ . 1]" 1
344 1 35 LEU HB3 1 35 LEU MD1 2.730 . 3.660 2.552 2.367 3.205 . 0 0 "[ . 1]" 1
345 1 35 LEU HB2 1 35 LEU MD1 2.885 . 3.970 2.315 2.265 2.436 . 0 0 "[ . 1]" 1
346 1 35 LEU HB3 1 35 LEU MD2 2.730 . 3.660 2.330 2.242 2.398 . 0 0 "[ . 1]" 1
347 1 35 LEU HA 1 35 LEU MD1 2.995 . 4.190 3.500 2.026 3.920 . 0 0 "[ . 1]" 1
348 1 35 LEU HB2 1 35 LEU MD2 2.885 . 3.970 3.019 2.265 3.211 . 0 0 "[ . 1]" 1
349 1 145 ILE HA 1 145 ILE HG13 2.810 . 3.820 3.715 3.690 3.739 . 0 0 "[ . 1]" 1
350 1 145 ILE HA 1 145 ILE HG12 2.810 . 3.820 3.019 2.926 3.112 . 0 0 "[ . 1]" 1
351 1 145 ILE HA 1 145 ILE MG 2.600 . 3.400 2.497 2.411 2.563 . 0 0 "[ . 1]" 1
352 1 145 ILE HG12 1 145 ILE MG 2.740 . 3.680 3.202 3.193 3.206 . 0 0 "[ . 1]" 1
353 1 145 ILE HG13 1 145 ILE MG 2.740 . 3.680 2.326 2.304 2.341 . 0 0 "[ . 1]" 1
354 1 145 ILE HA 1 145 ILE MD 2.450 . 3.100 2.020 2.003 2.058 . 0 0 "[ . 1]" 1
355 1 145 ILE HB 1 145 ILE MD 2.605 . 3.410 3.249 3.243 3.257 . 0 0 "[ . 1]" 1
356 1 145 ILE MD 1 145 ILE MG 2.260 . 2.720 2.028 1.985 2.063 . 0 0 "[ . 1]" 1
357 1 149 ILE HA 1 149 ILE HG13 2.745 . 3.690 3.116 2.983 3.740 0.050 6 0 "[ . 1]" 1
358 1 149 ILE HA 1 149 ILE HG12 2.745 . 3.690 2.651 2.546 3.137 . 0 0 "[ . 1]" 1
359 1 149 ILE HA 1 149 ILE MG 2.485 . 3.170 2.462 2.405 2.507 . 0 0 "[ . 1]" 1
360 1 149 ILE HG13 1 149 ILE MG 2.555 . 3.310 3.125 2.292 3.232 . 0 0 "[ . 1]" 1
361 1 149 ILE HG12 1 149 ILE MG 2.555 . 3.310 2.522 2.372 3.208 . 0 0 "[ . 1]" 1
362 1 149 ILE HA 1 149 ILE MD 2.925 . 4.050 3.689 2.053 3.906 . 0 0 "[ . 1]" 1
363 1 149 ILE HB 1 149 ILE MD 2.485 . 3.170 2.533 2.410 3.213 0.043 6 0 "[ . 1]" 1
364 1 116 VAL HA 1 116 VAL MG1 2.855 . 3.910 2.711 2.259 3.252 . 0 0 "[ . 1]" 1
365 1 116 VAL HA 1 116 VAL MG2 2.855 . 3.910 2.426 2.281 2.566 . 0 0 "[ . 1]" 1
366 1 98 MET ME 1 121 LEU HG 2.770 . 3.740 2.713 2.162 3.902 0.162 1 0 "[ . 1]" 1
367 1 57 ILE HG13 1 57 ILE MG 2.560 . 3.320 2.782 2.330 3.218 . 0 0 "[ . 1]" 1
368 1 57 ILE HG12 1 57 ILE MG 2.560 . 3.320 2.805 2.361 3.220 . 0 0 "[ . 1]" 1
369 1 57 ILE HA 1 57 ILE MG 2.640 . 3.480 2.418 2.368 2.477 . 0 0 "[ . 1]" 1
370 1 57 ILE MD 1 57 ILE MG 2.345 . 2.890 2.005 1.929 2.069 . 0 0 "[ . 1]" 1
371 1 57 ILE HA 1 57 ILE MD 2.845 . 3.890 2.984 2.086 3.893 0.003 1 0 "[ . 1]" 1
372 1 57 ILE HB 1 57 ILE MD 2.525 . 3.250 2.847 2.411 3.257 0.007 9 0 "[ . 1]" 1
373 1 97 ILE HA 1 97 ILE HG12 2.880 . 3.960 2.536 2.497 2.609 . 0 0 "[ . 1]" 1
374 1 97 ILE HA 1 97 ILE MG 2.650 . 3.500 2.438 2.340 2.511 . 0 0 "[ . 1]" 1
375 1 97 ILE HA 1 97 ILE HG13 2.750 . 3.700 3.018 2.975 3.063 . 0 0 "[ . 1]" 1
376 1 97 ILE HA 1 97 ILE MD 3.030 . 4.260 3.837 3.814 3.861 . 0 0 "[ . 1]" 1
377 1 97 ILE HB 1 97 ILE MD 2.650 . 3.500 2.431 2.363 2.458 . 0 0 "[ . 1]" 1
378 1 97 ILE MD 1 97 ILE MG 2.755 . 3.710 1.887 1.855 1.918 . 0 0 "[ . 1]" 1
379 1 97 ILE HG12 1 97 ILE MG 2.740 . 3.680 2.408 2.343 2.457 . 0 0 "[ . 1]" 1
380 1 97 ILE HG13 1 97 ILE MG 2.565 . 3.330 3.201 3.185 3.214 . 0 0 "[ . 1]" 1
381 1 92 LYS HA 1 92 LYS HG3 2.870 . 3.940 2.630 2.513 2.739 . 0 0 "[ . 1]" 1
382 1 92 LYS HA 1 92 LYS HG2 2.870 . 3.940 3.172 3.041 3.297 . 0 0 "[ . 1]" 1
383 1 142 VAL HA 1 142 VAL MG2 2.410 . 3.020 2.357 2.331 2.381 . 0 0 "[ . 1]" 1
384 1 142 VAL HA 1 142 VAL MG1 2.500 . 3.200 2.475 2.448 2.488 . 0 0 "[ . 1]" 1
385 1 148 VAL HA 1 148 VAL MG2 2.630 . 3.460 2.426 2.389 2.483 . 0 0 "[ . 1]" 1
386 1 148 VAL HA 1 148 VAL MG1 2.630 . 3.460 2.409 2.335 2.439 . 0 0 "[ . 1]" 1
387 1 55 LYS HA 1 56 LEU HG 3.480 . 5.160 4.051 3.820 4.226 . 0 0 "[ . 1]" 1
388 1 55 LYS HA 1 55 LYS HG3 2.895 . 3.990 3.015 2.401 3.821 . 0 0 "[ . 1]" 1
389 1 55 LYS HA 1 55 LYS HG2 2.895 . 3.990 2.791 2.474 3.660 . 0 0 "[ . 1]" 1
390 1 35 LEU HA 1 36 PRO HD3 2.640 . 3.480 2.029 1.845 2.276 . 0 0 "[ . 1]" 1
391 1 35 LEU HA 1 36 PRO HD2 2.640 . 3.480 2.524 2.259 2.786 . 0 0 "[ . 1]" 1
392 1 31 LEU HA 1 31 LEU MD2 2.865 . 3.930 2.648 2.013 3.937 0.007 8 0 "[ . 1]" 1
393 1 31 LEU HA 1 31 LEU MD1 2.865 . 3.930 3.163 2.098 3.878 . 0 0 "[ . 1]" 1
394 1 147 GLN HA 1 147 GLN HG3 2.745 . 3.690 2.798 2.514 3.162 . 0 0 "[ . 1]" 1
395 1 147 GLN HA 1 147 GLN HG2 2.745 . 3.690 2.988 2.485 3.715 0.025 4 0 "[ . 1]" 1
396 1 129 ILE HB 1 129 ILE MD 2.350 . 2.900 2.392 2.367 2.420 . 0 0 "[ . 1]" 1
397 1 61 ILE HA 1 61 ILE MG 2.580 . 3.360 2.334 2.232 2.383 . 0 0 "[ . 1]" 1
398 1 61 ILE HG13 1 61 ILE MG 2.600 . 3.400 3.158 2.552 3.230 . 0 0 "[ . 1]" 1
399 1 61 ILE HG12 1 61 ILE MG 2.600 . 3.400 2.406 2.074 2.475 . 0 0 "[ . 1]" 1
400 1 61 ILE HA 1 61 ILE MD 3.030 . 4.260 4.179 3.722 4.242 . 0 0 "[ . 1]" 1
401 1 61 ILE HB 1 61 ILE MD 2.585 . 3.370 2.457 2.348 2.502 . 0 0 "[ . 1]" 1
402 1 61 ILE HA 1 61 ILE HG12 2.870 . 3.940 3.771 3.709 4.125 0.185 1 0 "[ . 1]" 1
403 1 61 ILE HA 1 61 ILE HG13 2.870 . 3.940 3.729 3.576 3.771 . 0 0 "[ . 1]" 1
404 1 61 ILE MD 1 61 ILE MG 2.680 . 3.560 2.078 1.910 3.186 . 0 0 "[ . 1]" 1
405 1 78 MET HA 1 78 MET ME 2.770 . 3.740 3.506 3.017 3.740 0.000 6 0 "[ . 1]" 1
406 1 78 MET HA 1 78 MET HG2 2.830 . 3.860 2.431 2.254 2.857 . 0 0 "[ . 1]" 1
407 1 78 MET HA 1 78 MET HG3 2.910 . 4.020 3.420 3.094 3.802 . 0 0 "[ . 1]" 1
408 1 78 MET ME 1 78 MET HG3 2.720 . 3.640 2.991 2.519 3.429 . 0 0 "[ . 1]" 1
409 1 78 MET ME 1 78 MET HG2 2.930 . 4.060 2.979 2.506 3.434 . 0 0 "[ . 1]" 1
410 1 138 GLN HA 1 138 GLN HG3 3.005 . 4.210 3.764 3.579 3.971 . 0 0 "[ . 1]" 1
411 1 138 GLN HA 1 138 GLN HG2 3.005 . 4.210 3.936 3.609 4.245 0.035 4 0 "[ . 1]" 1
412 1 146 ARG HA 1 146 ARG HG3 2.730 . 3.660 2.802 2.490 3.717 0.057 1 0 "[ . 1]" 1
413 1 146 ARG HA 1 146 ARG HG2 2.730 . 3.660 3.000 2.439 3.746 0.086 8 0 "[ . 1]" 1
414 1 66 LEU HB3 1 66 LEU MD1 2.920 . 4.040 2.959 2.424 3.198 . 0 0 "[ . 1]" 1
415 1 66 LEU HB3 1 66 LEU MD2 2.920 . 4.040 2.307 2.290 2.348 . 0 0 "[ . 1]" 1
416 1 66 LEU HB2 1 66 LEU MD1 2.920 . 4.040 2.293 2.167 2.388 . 0 0 "[ . 1]" 1
417 1 66 LEU HB2 1 66 LEU MD2 2.920 . 4.040 2.626 2.293 3.195 . 0 0 "[ . 1]" 1
418 1 66 LEU HA 1 66 LEU HG 2.655 . 3.510 3.029 2.708 3.309 . 0 0 "[ . 1]" 1
419 1 65 LEU HB3 1 65 LEU MD1 2.860 . 3.920 2.621 2.320 3.222 . 0 0 "[ . 1]" 1
420 1 65 LEU HB2 1 65 LEU MD1 2.860 . 3.920 2.357 2.272 2.395 . 0 0 "[ . 1]" 1
421 1 65 LEU HB3 1 65 LEU MD2 2.860 . 3.920 2.361 2.283 2.435 . 0 0 "[ . 1]" 1
422 1 65 LEU HA 1 65 LEU MD2 2.890 . 3.980 2.603 2.039 3.844 . 0 0 "[ . 1]" 1
423 1 65 LEU HB2 1 65 LEU MD2 2.860 . 3.920 2.964 2.342 3.214 . 0 0 "[ . 1]" 1
424 1 65 LEU HA 1 65 LEU MD1 2.890 . 3.980 3.465 2.052 3.884 . 0 0 "[ . 1]" 1
425 1 65 LEU HA 1 65 LEU HG 2.605 . 3.410 3.025 2.528 3.256 . 0 0 "[ . 1]" 1
426 1 69 LEU HB3 1 69 LEU MD1 2.860 . 3.920 2.720 2.333 3.222 . 0 0 "[ . 1]" 1
427 1 69 LEU HB2 1 69 LEU MD1 2.860 . 3.920 2.620 2.311 3.222 . 0 0 "[ . 1]" 1
428 1 69 LEU HB2 1 69 LEU MD2 2.860 . 3.920 2.638 2.284 3.213 . 0 0 "[ . 1]" 1
429 1 69 LEU HA 1 69 LEU MD1 2.985 . 4.170 2.845 1.959 3.872 . 0 0 "[ . 1]" 1
430 1 69 LEU HA 1 69 LEU MD2 2.985 . 4.170 3.025 2.036 3.801 . 0 0 "[ . 1]" 1
431 1 69 LEU HB3 1 69 LEU MD2 2.860 . 3.920 2.603 2.272 3.229 . 0 0 "[ . 1]" 1
432 1 72 LEU HA 1 72 LEU MD2 2.835 . 3.870 3.427 2.924 3.876 0.006 1 0 "[ . 1]" 1
433 1 72 LEU HA 1 72 LEU MD1 2.835 . 3.870 2.092 2.033 2.136 . 0 0 "[ . 1]" 1
434 1 133 LEU HA 1 133 LEU HG 2.845 . 3.890 2.458 2.421 2.494 . 0 0 "[ . 1]" 1
435 1 120 MET HA 1 120 MET ME 3.025 . 4.250 2.844 2.435 3.733 . 0 0 "[ . 1]" 1
436 1 120 MET ME 1 120 MET HG3 2.980 . 4.160 3.292 2.441 3.409 . 0 0 "[ . 1]" 1
437 1 120 MET ME 1 120 MET HG2 2.765 . 3.730 2.557 2.428 3.374 . 0 0 "[ . 1]" 1
438 1 120 MET HB2 1 120 MET ME 2.745 . 3.690 2.133 2.097 2.195 . 0 0 "[ . 1]" 1
439 1 120 MET HB3 1 120 MET ME 2.745 . 3.690 3.469 3.213 3.546 . 0 0 "[ . 1]" 1
440 1 33 ARG HA 1 33 ARG HD3 2.955 . 4.110 2.908 1.996 4.309 0.199 10 0 "[ . 1]" 1
441 1 33 ARG HA 1 33 ARG HD2 2.955 . 4.110 2.919 2.155 4.153 0.043 8 0 "[ . 1]" 1
442 1 68 THR HA 1 68 THR MG 2.625 . 3.450 2.384 2.164 3.242 . 0 0 "[ . 1]" 1
443 1 68 THR HA 1 68 THR HB 2.390 . 2.980 2.909 2.459 3.016 0.036 2 0 "[ . 1]" 1
444 1 84 THR HA 1 84 THR MG 2.715 . 3.630 2.681 2.235 3.248 . 0 0 "[ . 1]" 1
445 1 91 LEU HA 1 91 LEU MD2 2.900 . 4.000 2.349 1.944 3.753 . 0 0 "[ . 1]" 1
446 1 88 LEU HA 1 88 LEU MD2 2.600 . 3.400 2.050 1.978 2.158 . 0 0 "[ . 1]" 1
447 1 88 LEU HA 1 88 LEU MD1 2.820 . 3.840 3.841 3.817 3.863 0.023 2 0 "[ . 1]" 1
448 1 88 LEU HB2 1 88 LEU MD1 2.560 . 3.320 2.328 2.294 2.399 . 0 0 "[ . 1]" 1
449 1 88 LEU HB3 1 88 LEU MD2 2.530 . 3.260 2.380 2.321 2.499 . 0 0 "[ . 1]" 1
450 1 88 LEU HB2 1 88 LEU MD2 2.530 . 3.260 3.213 3.197 3.238 . 0 0 "[ . 1]" 1
451 1 88 LEU HB3 1 88 LEU MD1 2.560 . 3.320 2.393 2.343 2.427 . 0 0 "[ . 1]" 1
452 1 88 LEU HA 1 88 LEU HG 2.800 . 3.800 3.076 2.922 3.313 . 0 0 "[ . 1]" 1
453 1 50 GLU HA 1 50 GLU HG2 2.960 . 4.120 3.138 2.572 3.671 . 0 0 "[ . 1]" 1
454 1 50 GLU HA 1 50 GLU HG3 2.960 . 4.120 2.835 2.453 3.806 . 0 0 "[ . 1]" 1
455 1 98 MET HA 1 98 MET ME 3.095 . 4.390 3.910 3.363 4.139 . 0 0 "[ . 1]" 1
456 1 98 MET ME 1 98 MET HG3 3.040 . 4.280 2.755 2.434 3.422 . 0 0 "[ . 1]" 1
457 1 98 MET ME 1 98 MET HG2 3.040 . 4.280 2.636 2.439 3.391 . 0 0 "[ . 1]" 1
458 1 134 ILE HA 1 134 ILE MD 3.000 . 4.200 3.730 3.121 3.900 . 0 0 "[ . 1]" 1
459 1 134 ILE HB 1 134 ILE MD 2.520 . 3.240 2.596 2.429 3.226 . 0 0 "[ . 1]" 1
460 1 9 ALA HA 1 41 VAL MG1 3.135 . 4.470 4.225 4.014 4.404 . 0 0 "[ . 1]" 1
461 1 134 ILE HA 1 134 ILE MG 2.990 . 4.180 2.784 2.461 3.224 . 0 0 "[ . 1]" 1
462 1 77 ARG HA 1 78 MET HG2 3.210 . 4.620 4.393 3.550 4.714 0.094 10 0 "[ . 1]" 1
463 1 15 GLU HA 1 34 SER HB3 3.080 . 4.360 3.246 2.488 3.783 . 0 0 "[ . 1]" 1
464 1 15 GLU HA 1 34 SER HB2 3.080 . 4.360 3.924 2.940 4.518 0.158 7 0 "[ . 1]" 1
465 1 15 GLU HG2 1 34 SER HB3 3.350 . 4.900 2.580 1.825 3.615 . 0 0 "[ . 1]" 1
466 1 15 GLU HG2 1 34 SER HB2 3.350 . 4.900 3.950 2.975 4.980 0.080 4 0 "[ . 1]" 1
467 1 13 VAL HA 1 36 PRO HA 2.550 . 3.300 2.076 1.952 2.338 . 0 0 "[ . 1]" 1
468 1 13 VAL HB 1 36 PRO HA 3.220 . 4.640 4.559 4.422 4.675 0.035 10 0 "[ . 1]" 1
469 1 13 VAL HA 1 36 PRO HB3 3.090 . 4.380 4.043 3.865 4.384 0.004 10 0 "[ . 1]" 1
470 1 13 VAL HA 1 36 PRO HB2 3.385 . 4.970 4.910 4.704 4.994 0.024 2 0 "[ . 1]" 1
471 1 39 VAL HA 1 79 VAL MG2 3.530 . 5.260 5.214 4.841 5.308 0.048 2 0 "[ . 1]" 1
472 1 10 TRP HB3 1 39 VAL HB 3.030 . 4.260 2.484 2.215 2.741 . 0 0 "[ . 1]" 1
473 1 58 MET HA 1 106 VAL MG1 3.110 . 4.420 3.544 3.042 3.884 . 0 0 "[ . 1]" 1
474 1 39 VAL MG1 1 81 PHE HA 2.945 . 4.090 3.604 3.468 3.758 . 0 0 "[ . 1]" 1
475 1 15 GLU HB3 1 32 THR HB 3.650 . 5.500 4.618 3.790 5.547 0.047 8 0 "[ . 1]" 1
476 1 32 THR HB 1 33 ARG HA 3.415 . 5.030 4.470 4.133 4.720 . 0 0 "[ . 1]" 1
477 1 35 LEU HA 1 36 PRO HG2 3.110 . 4.420 4.414 4.377 4.440 0.020 10 0 "[ . 1]" 1
478 1 35 LEU HA 1 36 PRO HG3 3.185 . 4.570 4.174 3.912 4.417 . 0 0 "[ . 1]" 1
479 1 35 LEU MD1 1 36 PRO HD2 3.650 . 5.500 4.348 1.984 5.177 . 0 0 "[ . 1]" 1
480 1 35 LEU MD1 1 36 PRO HD3 3.650 . 5.500 4.883 2.825 5.516 0.016 6 0 "[ . 1]" 1
481 1 119 LEU HB3 1 134 ILE MD 2.785 . 3.770 3.626 2.696 3.832 0.062 3 0 "[ . 1]" 1
482 1 119 LEU HB2 1 134 ILE MD 2.785 . 3.770 2.789 2.350 3.922 0.152 5 0 "[ . 1]" 1
483 1 91 LEU HA 1 94 LEU MD2 3.650 . 5.500 3.992 2.932 4.805 . 0 0 "[ . 1]" 1
484 1 94 LEU MD1 1 98 MET ME 3.120 . 4.440 3.814 2.800 4.483 0.043 2 0 "[ . 1]" 1
485 1 94 LEU MD1 1 98 MET HG3 3.650 . 5.500 3.860 2.406 4.847 . 0 0 "[ . 1]" 1
486 1 94 LEU MD1 1 98 MET HG2 3.650 . 5.500 4.031 2.492 5.090 . 0 0 "[ . 1]" 1
487 1 58 MET ME 1 94 LEU MD1 2.960 . 4.120 2.373 2.026 2.931 . 0 0 "[ . 1]" 1
488 1 94 LEU MD2 1 98 MET ME 3.120 . 4.440 3.342 2.184 4.416 . 0 0 "[ . 1]" 1
489 1 94 LEU MD2 1 98 MET HG2 3.650 . 5.500 3.390 2.012 5.295 . 0 0 "[ . 1]" 1
490 1 91 LEU HA 1 94 LEU HB2 3.040 . 4.280 3.188 2.193 3.971 . 0 0 "[ . 1]" 1
491 1 94 LEU HA 1 97 ILE MG 3.130 . 4.460 4.099 3.898 4.258 . 0 0 "[ . 1]" 1
492 1 63 GLN HB2 1 101 GLY HA3 3.650 . 5.500 3.681 3.281 3.946 . 0 0 "[ . 1]" 1
493 1 63 GLN HB3 1 101 GLY HA3 3.650 . 5.500 3.204 2.729 3.717 . 0 0 "[ . 1]" 1
494 1 62 PRO HA 1 102 PHE HA 2.680 . 3.560 2.519 2.336 2.758 . 0 0 "[ . 1]" 1
495 1 97 ILE MG 1 102 PHE HB3 2.985 . 4.170 2.859 2.676 3.039 . 0 0 "[ . 1]" 1
496 1 97 ILE MG 1 102 PHE HB2 2.985 . 4.170 2.155 2.010 2.324 . 0 0 "[ . 1]" 1
497 1 94 LEU HA 1 97 ILE HB 2.765 . 3.730 2.722 2.551 2.875 . 0 0 "[ . 1]" 1
498 1 60 LEU HG 1 97 ILE MG 3.385 . 4.970 3.689 2.066 4.498 . 0 0 "[ . 1]" 1
499 1 94 LEU MD1 1 97 ILE MD 3.435 . 5.070 4.185 2.789 5.127 0.057 5 0 "[ . 1]" 1
500 1 94 LEU MD2 1 97 ILE MD 3.435 . 5.070 4.504 3.090 5.140 0.070 3 0 "[ . 1]" 1
501 1 138 GLN HA 1 141 PHE HB2 3.075 . 4.350 3.820 3.464 4.364 0.014 5 0 "[ . 1]" 1
502 1 72 LEU HG 1 141 PHE HA 3.470 . 5.140 3.554 2.107 5.120 . 0 0 "[ . 1]" 1
503 1 69 LEU MD2 1 141 PHE HA 3.625 . 5.450 3.626 2.526 5.300 . 0 0 "[ . 1]" 1
504 1 139 SER HA 1 142 VAL HB 2.580 . 3.360 3.351 3.223 3.397 0.037 9 0 "[ . 1]" 1
505 1 141 PHE HB3 1 142 VAL MG2 2.785 . 3.770 3.156 3.001 3.286 . 0 0 "[ . 1]" 1
506 1 118 VAL HB 1 142 VAL MG2 2.780 . 3.760 3.768 3.555 3.852 0.092 4 0 "[ . 1]" 1
507 1 118 VAL MG2 1 142 VAL MG2 2.700 . 3.600 2.469 2.176 2.684 . 0 0 "[ . 1]" 1
508 1 141 PHE HA 1 142 VAL HA 3.365 . 4.930 4.731 4.689 4.779 . 0 0 "[ . 1]" 1
509 1 139 SER HA 1 142 VAL MG2 3.040 . 4.280 3.993 3.880 4.127 . 0 0 "[ . 1]" 1
510 1 97 ILE HA 1 100 ASN HB3 2.995 . 4.190 3.046 2.677 4.225 0.035 9 0 "[ . 1]" 1
511 1 97 ILE HA 1 100 ASN HB2 2.995 . 4.190 3.208 2.685 3.725 . 0 0 "[ . 1]" 1
512 1 35 LEU MD1 1 91 LEU HA 3.385 . 4.970 3.291 2.739 4.197 . 0 0 "[ . 1]" 1
513 1 35 LEU MD2 1 91 LEU HA 3.385 . 4.970 4.118 2.852 4.698 . 0 0 "[ . 1]" 1
514 1 88 LEU MD2 1 91 LEU HB2 3.230 . 4.660 3.451 2.838 4.626 . 0 0 "[ . 1]" 1
515 1 91 LEU HA 1 94 LEU HB3 3.050 . 4.300 2.656 1.986 2.977 . 0 0 "[ . 1]" 1
516 1 88 LEU HA 1 91 LEU HB2 3.285 . 4.770 2.681 2.135 4.156 . 0 0 "[ . 1]" 1
517 1 35 LEU MD1 1 90 SER HB2 3.140 . 4.480 3.179 2.026 4.477 . 0 0 "[ . 1]" 1
518 1 35 LEU MD2 1 90 SER HB2 3.140 . 4.480 2.681 1.989 3.692 . 0 0 "[ . 1]" 1
519 1 92 LYS HA 1 95 TYR HB3 3.090 . 4.380 4.241 3.790 4.408 0.028 2 0 "[ . 1]" 1
520 1 89 GLU HA 1 92 LYS HB3 2.800 . 3.800 2.866 2.505 3.696 . 0 0 "[ . 1]" 1
521 1 89 GLU HA 1 92 LYS HB2 2.810 . 3.820 3.240 2.659 3.851 0.031 2 0 "[ . 1]" 1
522 1 92 LYS HA 1 95 TYR HB2 3.090 . 4.380 2.695 2.210 2.903 . 0 0 "[ . 1]" 1
523 1 98 MET ME 1 103 ALA HA 2.690 . 3.580 2.734 2.221 3.163 . 0 0 "[ . 1]" 1
524 1 61 ILE MD 1 103 ALA MB 3.250 . 4.700 3.008 1.974 3.282 . 0 0 "[ . 1]" 1
525 1 103 ALA MB 1 120 MET HG2 3.435 . 5.070 4.085 3.406 4.474 . 0 0 "[ . 1]" 1
526 1 98 MET ME 1 103 ALA MB 3.030 . 4.260 3.823 3.479 4.108 . 0 0 "[ . 1]" 1
527 1 61 ILE HB 1 103 ALA MB 3.355 . 4.910 4.652 4.520 4.810 . 0 0 "[ . 1]" 1
528 1 103 ALA MB 1 122 LEU HG 2.570 . 3.340 3.376 3.356 3.392 0.052 6 0 "[ . 1]" 1
529 1 63 GLN HA 1 103 ALA MB 2.570 . 3.340 2.459 2.179 2.774 . 0 0 "[ . 1]" 1
530 1 145 ILE HA 1 148 VAL HB 2.815 . 3.830 2.511 2.328 2.802 . 0 0 "[ . 1]" 1
531 1 142 VAL HA 1 145 ILE MG 2.890 . 3.980 3.873 3.676 3.998 0.018 3 0 "[ . 1]" 1
532 1 8 LEU HA 1 40 TYR HA 2.660 . 3.520 2.574 2.197 2.779 . 0 0 "[ . 1]" 1
533 1 9 ALA HA 1 41 VAL MG2 3.135 . 4.470 3.853 3.325 4.352 . 0 0 "[ . 1]" 1
534 1 9 ALA MB 1 41 VAL MG1 2.475 . 3.150 1.959 1.880 2.050 . 0 0 "[ . 1]" 1
535 1 15 GLU HA 1 34 SER HA 2.530 . 3.260 2.114 1.943 2.336 . 0 0 "[ . 1]" 1
536 1 78 MET HA 1 133 LEU HG 3.175 . 4.550 2.518 2.316 2.796 . 0 0 "[ . 1]" 1
537 1 78 MET HA 1 79 VAL MG1 3.650 . 5.500 3.457 3.353 3.602 . 0 0 "[ . 1]" 1
538 1 105 CYS HA 1 120 MET ME 3.095 . 4.390 2.910 2.569 3.521 . 0 0 "[ . 1]" 1
539 1 103 ALA MB 1 120 MET ME 2.930 . 4.060 3.161 2.775 3.381 . 0 0 "[ . 1]" 1
540 1 146 ARG HA 1 149 ILE HB 2.720 . 3.640 2.679 2.464 2.977 . 0 0 "[ . 1]" 1
541 1 59 GLN HA 1 104 GLY HA3 3.650 . 5.500 5.161 4.871 5.395 . 0 0 "[ . 1]" 1
542 1 60 LEU MD2 1 104 GLY HA2 3.650 . 5.500 3.367 2.337 4.857 . 0 0 "[ . 1]" 1
543 1 60 LEU MD1 1 104 GLY HA2 3.650 . 5.500 4.356 2.750 5.513 0.013 10 0 "[ . 1]" 1
544 1 105 CYS HA 1 120 MET HA 2.785 . 3.770 2.547 2.412 2.688 . 0 0 "[ . 1]" 1
545 1 58 MET HA 1 106 VAL MG2 3.110 . 4.420 2.980 2.469 3.469 . 0 0 "[ . 1]" 1
546 1 106 VAL MG2 1 107 HIS HA 3.650 . 5.500 5.509 5.487 5.528 0.028 3 0 "[ . 1]" 1
547 1 58 MET HA 1 106 VAL HA 2.665 . 3.530 2.267 2.057 2.498 . 0 0 "[ . 1]" 1
548 1 105 CYS HA 1 106 VAL HB 3.275 . 4.750 4.564 4.473 4.633 . 0 0 "[ . 1]" 1
549 1 115 GLU HA 1 116 VAL HA 3.420 . 5.040 4.419 4.294 4.852 . 0 0 "[ . 1]" 1
550 1 107 HIS HA 1 118 VAL HA 2.965 . 4.130 3.783 3.449 3.973 . 0 0 "[ . 1]" 1
551 1 107 HIS HA 1 118 VAL HB 3.180 . 4.560 3.404 3.193 3.565 . 0 0 "[ . 1]" 1
552 1 107 HIS HA 1 118 VAL MG2 3.235 . 4.670 4.707 4.577 4.748 0.078 10 0 "[ . 1]" 1
553 1 118 VAL MG1 1 142 VAL MG2 2.700 . 3.600 2.200 2.013 2.485 . 0 0 "[ . 1]" 1
554 1 81 PHE HB3 1 121 LEU MD2 3.330 . 4.860 3.728 3.299 4.036 . 0 0 "[ . 1]" 1
555 1 81 PHE HB2 1 121 LEU MD2 3.330 . 4.860 3.683 2.637 4.204 . 0 0 "[ . 1]" 1
556 1 81 PHE HB3 1 121 LEU MD1 3.330 . 4.860 3.124 2.891 3.752 . 0 0 "[ . 1]" 1
557 1 121 LEU HA 1 132 GLY HA3 3.230 . 4.660 3.354 2.982 3.894 . 0 0 "[ . 1]" 1
558 1 123 TYR HA 1 130 PHE HA 2.845 . 3.890 2.173 2.079 2.296 . 0 0 "[ . 1]" 1
559 1 121 LEU HA 1 122 LEU HB2 3.465 . 5.130 4.269 4.148 4.335 . 0 0 "[ . 1]" 1
560 1 121 LEU HA 1 122 LEU HB3 3.650 . 5.500 5.536 5.501 5.571 0.071 1 0 "[ . 1]" 1
561 1 77 ARG HD3 1 134 ILE MG 3.325 . 4.850 4.026 2.443 4.874 0.024 3 0 "[ . 1]" 1
562 1 77 ARG HD2 1 134 ILE MG 3.325 . 4.850 3.810 3.024 4.859 0.009 2 0 "[ . 1]" 1
563 1 78 MET HA 1 133 LEU HA 2.795 . 3.790 2.401 2.302 2.529 . 0 0 "[ . 1]" 1
564 1 79 VAL MG2 1 132 GLY HA2 2.680 . 3.560 2.445 2.144 2.606 . 0 0 "[ . 1]" 1
565 1 79 VAL MG2 1 132 GLY HA3 2.960 . 4.120 3.610 3.411 3.762 . 0 0 "[ . 1]" 1
566 1 47 LEU MD2 1 77 ARG HD2 3.650 . 5.500 3.663 2.519 4.461 . 0 0 "[ . 1]" 1
567 1 47 LEU MD1 1 77 ARG HD3 3.650 . 5.500 3.852 2.957 5.079 . 0 0 "[ . 1]" 1
568 1 47 LEU MD1 1 77 ARG HD2 3.650 . 5.500 3.540 1.917 4.656 . 0 0 "[ . 1]" 1
569 1 77 ARG HD2 1 134 ILE MD 3.650 . 5.500 4.123 2.784 5.242 . 0 0 "[ . 1]" 1
570 1 77 ARG HD3 1 134 ILE MD 3.650 . 5.500 4.572 3.402 5.365 . 0 0 "[ . 1]" 1
571 1 76 SER HB3 1 135 PRO HA 2.900 . 4.000 3.500 3.128 3.986 . 0 0 "[ . 1]" 1
572 1 36 PRO HG2 1 84 THR HB 3.310 . 4.820 4.210 2.038 4.818 . 0 0 "[ . 1]" 1
573 1 36 PRO HB2 1 84 THR HB 3.400 . 5.000 3.537 2.205 5.030 0.030 10 0 "[ . 1]" 1
574 1 10 TRP HA 1 49 THR HB 3.405 . 5.010 3.881 3.366 4.420 . 0 0 "[ . 1]" 1
575 1 10 TRP HB2 1 49 THR HB 3.275 . 4.750 2.575 2.207 3.230 . 0 0 "[ . 1]" 1
576 1 10 TRP HB3 1 49 THR HB 3.290 . 4.780 4.184 3.754 4.756 . 0 0 "[ . 1]" 1
577 1 39 VAL MG2 1 81 PHE HA 2.945 . 4.090 3.119 2.843 3.381 . 0 0 "[ . 1]" 1
578 1 10 TRP HA 1 49 THR MG 2.930 . 4.060 3.677 3.349 3.904 . 0 0 "[ . 1]" 1
579 1 10 TRP HB3 1 49 THR MG 2.815 . 3.830 3.150 2.924 3.465 . 0 0 "[ . 1]" 1
580 1 10 TRP HB2 1 49 THR MG 2.915 . 4.030 1.971 1.861 2.197 . 0 0 "[ . 1]" 1
581 1 47 LEU MD2 1 49 THR MG 2.850 . 3.900 3.006 1.827 3.646 . 0 0 "[ . 1]" 1
582 1 47 LEU HG 1 49 THR MG 2.745 . 3.690 2.521 2.082 2.985 . 0 0 "[ . 1]" 1
583 1 61 ILE HA 1 62 PRO HD2 2.730 . 3.660 3.013 2.576 3.263 . 0 0 "[ . 1]" 1
584 1 62 PRO HD3 1 152 LEU MD2 3.280 . 4.760 2.371 1.923 3.480 . 0 0 "[ . 1]" 1
585 1 62 PRO HD2 1 152 LEU MD2 3.280 . 4.760 3.478 2.464 4.525 . 0 0 "[ . 1]" 1
586 1 149 ILE HA 1 152 LEU HB2 2.950 . 4.100 3.276 2.634 3.564 . 0 0 "[ . 1]" 1
587 1 71 PRO HA 1 74 ARG HG2 3.290 . 4.780 3.400 2.095 4.825 0.045 8 0 "[ . 1]" 1
588 1 71 PRO HA 1 74 ARG HG3 3.290 . 4.780 3.260 2.362 4.779 . 0 0 "[ . 1]" 1
589 1 22 PRO HA 1 23 ALA MB 3.495 . 5.190 4.278 4.005 4.891 . 0 0 "[ . 1]" 1
590 1 123 TYR HA 1 123 TYR QE 3.170 . 4.540 4.557 4.482 4.589 0.049 2 0 "[ . 1]" 1
591 1 127 LYS HB3 1 129 ILE MD 2.920 . 4.040 2.847 2.448 3.254 . 0 0 "[ . 1]" 1
592 1 127 LYS HB2 1 129 ILE MD 2.920 . 4.040 2.528 2.227 2.875 . 0 0 "[ . 1]" 1
593 1 61 ILE HA 1 62 PRO HD3 2.730 . 3.660 2.198 2.105 2.519 . 0 0 "[ . 1]" 1
594 1 37 CYS HA 1 83 PHE HA 2.720 . 3.640 2.073 1.929 2.233 . 0 0 "[ . 1]" 1
595 1 124 SER HB3 1 129 ILE MD 3.170 . 4.540 3.186 2.306 4.241 . 0 0 "[ . 1]" 1
596 1 124 SER HB2 1 129 ILE MD 3.170 . 4.540 3.482 2.331 4.271 . 0 0 "[ . 1]" 1
597 1 123 TYR QE 1 125 SER HB2 3.330 . 4.860 4.174 2.544 4.864 0.004 1 0 "[ . 1]" 1
598 1 126 LYS HA 1 126 LYS HG3 2.985 . 4.170 3.363 2.593 3.822 . 0 0 "[ . 1]" 1
599 1 126 LYS HA 1 126 LYS HG2 2.985 . 4.170 3.277 2.637 3.787 . 0 0 "[ . 1]" 1
600 1 147 GLN HA 1 150 THR HB 3.005 . 4.210 2.970 2.449 4.221 0.011 1 0 "[ . 1]" 1
601 1 61 ILE MG 1 62 PRO HD3 2.765 . 3.730 3.482 3.338 3.753 0.023 2 0 "[ . 1]" 1
602 1 112 ALA MB 1 113 PRO HD3 2.840 . 3.880 3.537 2.937 3.882 0.002 2 0 "[ . 1]" 1
603 1 112 ALA MB 1 113 PRO HD2 2.840 . 3.880 2.686 2.047 3.411 . 0 0 "[ . 1]" 1
604 1 146 ARG HA 1 149 ILE MD 2.795 . 3.790 2.568 2.089 3.854 0.064 6 0 "[ . 1]" 1
605 1 145 ILE MD 1 148 VAL HB 2.790 . 3.780 3.292 3.102 3.604 . 0 0 "[ . 1]" 1
606 1 105 CYS HB2 1 145 ILE MD 3.280 . 4.760 3.199 2.605 3.774 . 0 0 "[ . 1]" 1
607 1 107 HIS HA 1 118 VAL MG1 3.235 . 4.670 2.598 2.194 2.862 . 0 0 "[ . 1]" 1
608 1 6 LYS HB2 1 42 ASN HA 3.650 . 5.500 4.675 3.993 5.515 0.015 10 0 "[ . 1]" 1
609 1 6 LYS HB3 1 42 ASN HA 3.650 . 5.500 4.179 3.308 5.135 . 0 0 "[ . 1]" 1
610 1 102 PHE HA 1 103 ALA MB 3.195 . 4.590 3.817 3.776 3.866 . 0 0 "[ . 1]" 1
611 1 103 ALA MB 1 122 LEU HA 3.285 . 4.770 3.757 3.585 4.099 . 0 0 "[ . 1]" 1
612 1 112 ALA HA 1 113 PRO HD3 2.555 . 3.310 2.270 1.973 2.693 . 0 0 "[ . 1]" 1
613 1 112 ALA HA 1 113 PRO HD2 2.555 . 3.310 2.459 2.086 3.002 . 0 0 "[ . 1]" 1
614 1 134 ILE HA 1 135 PRO HD2 2.930 . 4.060 2.508 2.414 2.582 . 0 0 "[ . 1]" 1
615 1 119 LEU HB3 1 134 ILE HA 3.305 . 4.810 4.357 2.893 4.829 0.019 10 0 "[ . 1]" 1
616 1 56 LEU MD1 1 108 PHE HZ 3.360 . 4.920 3.255 2.993 3.705 . 0 0 "[ . 1]" 1
617 1 145 ILE MG 1 146 ARG HA 2.890 . 3.980 3.553 3.379 3.692 . 0 0 "[ . 1]" 1
618 1 142 VAL HA 1 145 ILE HB 2.985 . 4.170 2.457 2.295 2.575 . 0 0 "[ . 1]" 1
619 1 138 GLN HA 1 141 PHE HB3 3.185 . 4.570 2.863 2.546 3.431 . 0 0 "[ . 1]" 1
620 1 149 ILE HB 1 150 THR HA 3.100 . 4.400 4.166 4.109 4.211 . 0 0 "[ . 1]" 1
621 1 149 ILE MG 1 150 THR HA 2.830 . 3.860 3.263 3.131 3.394 . 0 0 "[ . 1]" 1
622 1 7 LEU HB2 1 43 HIS HA 3.420 . 5.040 5.052 4.609 5.154 0.114 5 0 "[ . 1]" 1
623 1 13 VAL HB 1 55 LYS HA 3.310 . 4.820 3.179 2.808 3.526 . 0 0 "[ . 1]" 1
624 1 58 MET ME 1 94 LEU MD2 2.960 . 4.120 2.812 2.206 3.749 . 0 0 "[ . 1]" 1
625 1 16 TRP HB3 1 58 MET ME 2.890 . 3.980 2.491 1.952 4.269 0.289 5 0 "[ . 1]" 1
626 1 16 TRP HB2 1 58 MET ME 2.890 . 3.980 2.919 2.509 3.374 . 0 0 "[ . 1]" 1
627 1 16 TRP HA 1 58 MET ME 3.275 . 4.750 4.114 3.633 4.751 0.001 10 0 "[ . 1]" 1
628 1 58 MET ME 1 60 LEU MD2 3.065 . 4.330 2.568 2.288 3.422 . 0 0 "[ . 1]" 1
629 1 58 MET ME 1 60 LEU MD1 3.065 . 4.330 3.029 2.231 4.155 . 0 0 "[ . 1]" 1
630 1 11 SER HA 1 12 GLY HA3 3.600 . 5.400 4.412 4.377 4.448 . 0 0 "[ . 1]" 1
631 1 12 GLY HA3 1 54 GLN HA 3.650 . 5.500 4.125 3.890 4.584 . 0 0 "[ . 1]" 1
632 1 12 GLY HA2 1 54 GLN HA 3.260 . 4.720 3.596 3.303 3.882 . 0 0 "[ . 1]" 1
633 1 41 VAL HB 1 45 GLU HB3 3.195 . 4.590 3.447 2.057 4.603 0.013 1 0 "[ . 1]" 1
634 1 41 VAL HB 1 45 GLU HB2 3.195 . 4.590 3.992 3.138 4.658 0.068 7 0 "[ . 1]" 1
635 1 98 MET HA 1 102 PHE HB3 3.195 . 4.590 3.907 3.380 4.498 . 0 0 "[ . 1]" 1
636 1 98 MET ME 1 122 LEU HB2 3.575 . 5.350 5.200 4.814 5.387 0.037 5 0 "[ . 1]" 1
637 1 98 MET ME 1 122 LEU HB3 3.490 . 5.180 4.912 4.412 5.193 0.013 6 0 "[ . 1]" 1
638 1 122 LEU HA 1 122 LEU MD1 2.965 . 4.130 3.868 3.846 3.881 . 0 0 "[ . 1]" 1
639 1 122 LEU HA 1 122 LEU MD2 2.965 . 4.130 2.098 2.050 2.141 . 0 0 "[ . 1]" 1
640 1 122 LEU HA 1 122 LEU HG 2.705 . 3.610 2.880 2.813 2.961 . 0 0 "[ . 1]" 1
641 1 47 LEU MD2 1 77 ARG HD3 3.650 . 5.500 3.723 2.221 5.523 0.023 9 0 "[ . 1]" 1
642 1 98 MET ME 1 121 LEU MD1 3.040 . 4.280 3.726 2.314 4.204 . 0 0 "[ . 1]" 1
643 1 98 MET ME 1 122 LEU HA 2.645 . 3.490 2.862 2.547 3.042 . 0 0 "[ . 1]" 1
644 1 58 MET ME 1 98 MET ME 2.735 . 3.670 3.337 3.032 3.771 0.101 5 0 "[ . 1]" 1
645 1 14 LEU HA 1 15 GLU HB3 3.650 . 5.500 5.200 4.553 5.574 0.074 6 0 "[ . 1]" 1
646 1 15 GLU HB3 1 34 SER HA 3.650 . 5.500 4.426 4.016 4.850 . 0 0 "[ . 1]" 1
647 1 14 LEU HA 1 15 GLU HB2 3.305 . 4.810 4.266 4.116 4.368 . 0 0 "[ . 1]" 1
648 1 15 GLU HB2 1 34 SER HA 3.495 . 5.190 4.362 3.344 5.101 . 0 0 "[ . 1]" 1
649 1 10 TRP HD1 1 52 TRP HB3 3.350 . 4.900 4.346 3.633 4.895 . 0 0 "[ . 1]" 1
650 1 10 TRP HD1 1 52 TRP HB2 3.350 . 4.900 3.533 3.339 3.822 . 0 0 "[ . 1]" 1
651 1 15 GLU HG3 1 34 SER HB3 3.350 . 4.900 2.487 1.850 3.417 . 0 0 "[ . 1]" 1
652 1 15 GLU HG3 1 34 SER HB2 3.350 . 4.900 3.568 3.232 4.623 . 0 0 "[ . 1]" 1
653 1 34 SER HA 1 35 LEU HB2 3.650 . 5.500 4.370 4.125 4.583 . 0 0 "[ . 1]" 1
654 1 15 GLU HB3 1 32 THR MG 2.980 . 4.160 2.628 1.790 4.083 0.010 9 0 "[ . 1]" 1
655 1 37 CYS HB3 1 83 PHE HA 3.280 . 4.760 2.844 2.453 3.575 . 0 0 "[ . 1]" 1
656 1 37 CYS HB2 1 83 PHE HA 3.280 . 4.760 3.158 2.457 4.795 0.035 5 0 "[ . 1]" 1
657 1 39 VAL HA 1 81 PHE HA 2.735 . 3.670 2.695 2.589 2.797 . 0 0 "[ . 1]" 1
658 1 39 VAL HB 1 81 PHE HA 3.650 . 5.500 5.373 5.253 5.520 0.020 4 0 "[ . 1]" 1
659 1 39 VAL MG2 1 52 TRP HZ3 3.285 . 4.770 3.635 3.260 3.932 . 0 0 "[ . 1]" 1
660 1 39 VAL MG2 1 81 PHE QD 2.885 . 3.970 2.841 2.445 3.012 . 0 0 "[ . 1]" 1
661 1 10 TRP HE3 1 39 VAL MG1 2.875 . 3.950 3.085 2.845 3.394 . 0 0 "[ . 1]" 1
662 1 39 VAL MG1 1 81 PHE QD 2.885 . 3.970 3.241 3.044 3.650 . 0 0 "[ . 1]" 1
663 1 8 LEU HB3 1 40 TYR QD 3.435 . 5.070 4.333 3.947 4.612 . 0 0 "[ . 1]" 1
664 1 8 LEU HB2 1 40 TYR QD 3.435 . 5.070 3.074 2.660 3.354 . 0 0 "[ . 1]" 1
665 1 7 LEU HA 1 40 TYR QD 3.360 . 4.920 4.312 3.988 4.888 . 0 0 "[ . 1]" 1
666 1 7 LEU MD2 1 43 HIS HA 3.175 . 4.550 3.594 3.052 4.076 . 0 0 "[ . 1]" 1
667 1 7 LEU MD1 1 43 HIS HA 3.175 . 4.550 2.601 2.287 2.884 . 0 0 "[ . 1]" 1
668 1 7 LEU HG 1 43 HIS HA 3.475 . 5.150 5.210 4.928 5.411 0.261 10 0 "[ . 1]" 1
669 1 10 TRP H 1 11 SER HA 3.330 . 4.860 4.663 4.437 4.797 . 0 0 "[ . 1]" 1
670 1 6 LYS HB3 1 40 TYR HB2 3.650 . 5.500 3.940 3.262 4.333 . 0 0 "[ . 1]" 1
671 1 6 LYS HB3 1 40 TYR HB3 3.650 . 5.500 3.583 2.313 3.872 . 0 0 "[ . 1]" 1
672 1 6 LYS HB2 1 40 TYR HB3 3.650 . 5.500 2.167 1.977 2.335 . 0 0 "[ . 1]" 1
673 1 6 LYS HB2 1 40 TYR HB2 3.650 . 5.500 2.932 2.509 3.422 . 0 0 "[ . 1]" 1
674 1 9 ALA MB 1 41 VAL MG2 2.475 . 3.150 2.115 1.970 2.436 . 0 0 "[ . 1]" 1
675 1 14 LEU MD2 1 83 PHE QE 3.380 . 4.960 3.960 2.778 4.999 0.039 10 0 "[ . 1]" 1
676 1 14 LEU MD2 1 81 PHE QD 3.140 . 4.480 3.577 2.836 4.305 . 0 0 "[ . 1]" 1
677 1 14 LEU MD1 1 81 PHE QD 3.140 . 4.480 3.211 2.323 4.244 . 0 0 "[ . 1]" 1
678 1 35 LEU MD2 1 36 PRO HD3 3.650 . 5.500 3.734 3.035 5.343 . 0 0 "[ . 1]" 1
679 1 35 LEU MD2 1 36 PRO HD2 3.650 . 5.500 3.474 2.874 4.740 . 0 0 "[ . 1]" 1
680 1 94 LEU MD1 1 95 TYR QE 3.650 . 5.500 5.016 4.170 5.605 0.105 3 0 "[ . 1]" 1
681 1 94 LEU MD2 1 95 TYR QE 3.650 . 5.500 4.145 3.270 5.512 0.012 2 0 "[ . 1]" 1
682 1 91 LEU HA 1 94 LEU MD1 3.650 . 5.500 4.097 3.346 5.432 . 0 0 "[ . 1]" 1
683 1 103 ALA HA 1 122 LEU HA 3.065 . 4.330 3.381 3.191 3.622 . 0 0 "[ . 1]" 1
684 1 62 PRO HD3 1 152 LEU MD1 3.280 . 4.760 2.825 1.950 4.005 . 0 0 "[ . 1]" 1
685 1 62 PRO HD2 1 152 LEU MD1 3.280 . 4.760 3.976 3.027 4.831 0.071 9 0 "[ . 1]" 1
686 1 61 ILE MG 1 62 PRO HD2 2.765 . 3.730 3.440 2.814 3.733 0.003 3 0 "[ . 1]" 1
687 1 73 PHE QE 1 120 MET ME 3.140 . 4.480 3.530 3.323 3.686 . 0 0 "[ . 1]" 1
688 1 73 PHE QD 1 120 MET ME 3.560 . 5.320 5.297 5.110 5.431 0.111 9 0 "[ . 1]" 1
689 1 121 LEU HA 1 132 GLY HA2 3.205 . 4.610 2.845 2.623 3.014 . 0 0 "[ . 1]" 1
690 1 76 SER HB2 1 135 PRO HA 3.285 . 4.770 4.490 4.219 4.800 0.030 5 0 "[ . 1]" 1
691 1 76 SER HB3 1 77 ARG HA 3.505 . 5.210 4.551 4.284 4.687 . 0 0 "[ . 1]" 1
692 1 76 SER HB2 1 133 LEU HB3 3.220 . 4.640 2.473 2.164 2.939 . 0 0 "[ . 1]" 1
693 1 76 SER HB3 1 133 LEU HB3 3.240 . 4.680 2.113 1.975 2.217 . 0 0 "[ . 1]" 1
694 1 76 SER HB3 1 133 LEU HA 3.295 . 4.790 3.862 3.539 4.139 . 0 0 "[ . 1]" 1
695 1 76 SER HB2 1 133 LEU HB2 3.350 . 4.900 3.832 3.485 4.403 . 0 0 "[ . 1]" 1
696 1 76 SER HB2 1 133 LEU HG 3.540 . 5.280 3.719 3.336 4.028 . 0 0 "[ . 1]" 1
697 1 76 SER HB3 1 133 LEU HG 3.650 . 5.500 3.891 3.164 4.362 . 0 0 "[ . 1]" 1
698 1 134 ILE HA 1 135 PRO HD3 2.930 . 4.060 2.118 1.995 2.276 . 0 0 "[ . 1]" 1
699 1 149 ILE HA 1 152 LEU HB3 2.950 . 4.100 2.685 2.313 4.131 0.031 3 0 "[ . 1]" 1
700 1 149 ILE MG 1 150 THR HB 3.265 . 4.730 4.626 4.140 4.812 0.082 9 0 "[ . 1]" 1
701 1 149 ILE HB 1 150 THR HB 3.150 . 4.500 4.318 3.982 4.514 0.014 2 0 "[ . 1]" 1
702 1 78 MET HG2 1 79 VAL MG1 3.650 . 5.500 5.537 5.509 5.568 0.068 5 0 "[ . 1]" 1
703 1 78 MET ME 1 79 VAL MG2 3.175 . 4.550 4.530 4.281 4.657 0.107 1 0 "[ . 1]" 1
704 1 78 MET HG3 1 133 LEU HG 3.310 . 4.820 3.623 3.032 4.542 . 0 0 "[ . 1]" 1
705 1 78 MET HG2 1 133 LEU HG 3.115 . 4.430 2.190 1.819 3.460 . 0 0 "[ . 1]" 1
706 1 76 SER HB2 1 133 LEU HA 3.650 . 5.500 4.682 4.417 4.936 . 0 0 "[ . 1]" 1
707 1 76 SER HA 1 135 PRO HA 2.995 . 4.190 3.173 2.630 3.886 . 0 0 "[ . 1]" 1
708 1 76 SER HB3 1 133 LEU HB2 3.560 . 5.320 3.753 3.660 3.922 . 0 0 "[ . 1]" 1
709 1 47 LEU MD1 1 49 THR MG 2.850 . 3.900 2.967 2.105 3.946 0.046 9 0 "[ . 1]" 1
710 1 9 ALA MB 1 49 THR MG 2.760 . 3.720 2.473 2.165 2.865 . 0 0 "[ . 1]" 1
711 1 78 MET HA 1 79 VAL MG2 3.175 . 4.550 3.766 3.615 3.967 . 0 0 "[ . 1]" 1
712 1 62 PRO HG3 1 152 LEU HA 3.550 . 5.300 4.330 3.463 5.356 0.056 3 0 "[ . 1]" 1
713 1 63 GLN HB2 1 101 GLY HA2 3.650 . 5.500 4.583 4.180 4.943 . 0 0 "[ . 1]" 1
714 1 63 GLN HB3 1 101 GLY HA2 3.650 . 5.500 3.786 3.295 4.039 . 0 0 "[ . 1]" 1
715 1 60 LEU HA 1 104 GLY HA3 2.455 . 3.110 2.350 2.146 2.446 . 0 0 "[ . 1]" 1
716 1 60 LEU HA 1 104 GLY HA2 3.455 . 5.110 3.843 3.638 3.969 . 0 0 "[ . 1]" 1
717 1 104 GLY HA2 1 105 CYS HA 3.650 . 5.500 4.544 4.510 4.570 . 0 0 "[ . 1]" 1
718 1 61 ILE HB 1 62 PRO HD3 3.025 . 4.250 3.068 2.729 3.587 . 0 0 "[ . 1]" 1
719 1 61 ILE HB 1 62 PRO HD2 3.025 . 4.250 2.260 2.018 2.366 . 0 0 "[ . 1]" 1
720 1 37 CYS HA 1 84 THR MG 3.305 . 4.810 3.759 2.367 4.841 0.031 1 0 "[ . 1]" 1
721 1 66 LEU HG 1 67 THR HA 3.650 . 5.500 4.519 4.080 5.445 . 0 0 "[ . 1]" 1
722 1 72 LEU MD2 1 141 PHE HB2 3.215 . 4.630 3.176 2.001 4.094 . 0 0 "[ . 1]" 1
723 1 118 VAL HA 1 142 VAL MG2 3.640 . 5.480 5.190 4.972 5.475 . 0 0 "[ . 1]" 1
724 1 149 ILE MG 1 153 GLU HG3 3.120 . 4.440 2.951 2.696 3.445 . 0 0 "[ . 1]" 1
725 1 72 LEU MD1 1 141 PHE HB2 3.215 . 4.630 3.268 2.319 4.263 . 0 0 "[ . 1]" 1
726 1 123 TYR QE 1 125 SER HB3 3.330 . 4.860 3.355 2.491 4.175 . 0 0 "[ . 1]" 1
727 1 142 VAL HA 1 145 ILE MD 3.505 . 5.210 4.784 4.382 5.122 . 0 0 "[ . 1]" 1
728 1 144 GLY HA2 1 145 ILE MD 3.650 . 5.500 4.344 4.036 4.591 . 0 0 "[ . 1]" 1
729 1 98 MET ME 1 121 LEU MD2 3.040 . 4.280 2.888 1.828 3.249 . 0 0 "[ . 1]" 1
730 1 103 ALA MB 1 122 LEU MD1 3.010 . 4.220 3.820 3.668 3.937 . 0 0 "[ . 1]" 1
731 1 94 LEU HA 1 97 ILE MD 3.125 . 4.450 2.601 2.296 2.756 . 0 0 "[ . 1]" 1
732 1 152 LEU HA 1 152 LEU MD1 3.045 . 4.290 2.815 2.103 3.845 . 0 0 "[ . 1]" 1
733 1 152 LEU HA 1 152 LEU HG 2.835 . 3.870 3.422 2.976 3.850 . 0 0 "[ . 1]" 1
734 1 152 LEU HA 1 152 LEU MD2 3.045 . 4.290 3.041 1.997 3.936 . 0 0 "[ . 1]" 1
735 1 152 LEU HB3 1 152 LEU MD1 2.890 . 3.980 2.759 2.277 3.213 . 0 0 "[ . 1]" 1
736 1 152 LEU HB2 1 152 LEU MD1 2.890 . 3.980 2.674 2.184 3.196 . 0 0 "[ . 1]" 1
737 1 152 LEU HB3 1 152 LEU MD2 2.890 . 3.980 2.661 2.271 3.224 . 0 0 "[ . 1]" 1
738 1 152 LEU HB2 1 152 LEU MD2 2.890 . 3.980 2.535 2.360 3.162 . 0 0 "[ . 1]" 1
739 1 31 LEU HA 1 32 THR HB 3.525 . 5.250 4.751 4.333 5.020 . 0 0 "[ . 1]" 1
740 1 9 ALA MB 1 40 TYR HA 2.995 . 4.190 3.091 2.670 3.322 . 0 0 "[ . 1]" 1
741 1 69 LEU MD1 1 141 PHE HA 3.625 . 5.450 3.632 1.965 5.298 . 0 0 "[ . 1]" 1
742 1 69 LEU MD2 1 145 ILE HA 3.315 . 4.830 3.805 3.071 4.591 . 0 0 "[ . 1]" 1
743 1 69 LEU MD1 1 145 ILE HA 3.315 . 4.830 3.866 3.173 4.457 . 0 0 "[ . 1]" 1
744 1 62 PRO HG2 1 102 PHE QE 3.490 . 5.180 4.510 4.167 5.187 0.007 2 0 "[ . 1]" 1
745 1 62 PRO HG3 1 102 PHE QE 3.045 . 4.290 2.906 2.415 4.084 . 0 0 "[ . 1]" 1
746 1 6 LYS HD3 1 40 TYR QD 3.650 . 5.500 3.406 2.663 4.912 . 0 0 "[ . 1]" 1
747 1 6 LYS HD2 1 40 TYR QD 3.650 . 5.500 3.894 3.068 5.327 . 0 0 "[ . 1]" 1
748 1 7 LEU HB2 1 40 TYR QD 3.650 . 5.500 5.505 5.346 5.587 0.087 10 0 "[ . 1]" 1
749 1 7 LEU MD1 1 43 HIS HD2 3.145 . 4.490 3.240 2.563 4.558 0.068 10 0 "[ . 1]" 1
750 1 7 LEU MD2 1 43 HIS HD2 3.145 . 4.490 4.035 2.955 4.588 0.098 9 0 "[ . 1]" 1
751 1 8 LEU HG 1 40 TYR QD 3.575 . 5.350 4.506 2.836 5.072 . 0 0 "[ . 1]" 1
752 1 10 TRP HE3 1 11 SER HA 3.415 . 5.030 4.365 4.080 4.781 . 0 0 "[ . 1]" 1
753 1 7 LEU MD1 1 45 GLU H 3.450 . 5.100 4.520 3.942 4.893 . 0 0 "[ . 1]" 1
754 1 15 GLU HA 1 16 TRP HD1 3.210 . 4.620 3.435 2.987 4.632 0.012 5 0 "[ . 1]" 1
755 1 35 LEU HA 1 83 PHE QD 3.650 . 5.500 4.714 4.314 5.499 . 0 0 "[ . 1]" 1
756 1 35 LEU MD1 1 83 PHE QD 3.230 . 4.660 3.313 2.205 3.975 . 0 0 "[ . 1]" 1
757 1 62 PRO HD3 1 102 PHE QE 3.470 . 5.140 3.524 2.715 3.959 . 0 0 "[ . 1]" 1
758 1 79 VAL MG1 1 81 PHE QD 3.510 . 5.220 4.580 4.241 5.097 . 0 0 "[ . 1]" 1
759 1 47 LEU MD1 1 52 TRP HH2 3.290 . 4.780 3.440 2.676 4.073 . 0 0 "[ . 1]" 1
760 1 47 LEU MD2 1 52 TRP HZ2 3.170 . 4.540 3.988 3.090 4.546 0.006 7 0 "[ . 1]" 1
761 1 47 LEU MD2 1 52 TRP HH2 3.290 . 4.780 4.632 4.071 4.858 0.078 6 0 "[ . 1]" 1
762 1 47 LEU MD1 1 52 TRP HZ2 3.170 . 4.540 2.138 1.841 2.918 . 0 0 "[ . 1]" 1
763 1 10 TRP HD1 1 49 THR HB 3.020 . 4.240 2.443 2.141 2.946 . 0 0 "[ . 1]" 1
764 1 10 TRP HD1 1 49 THR MG 3.110 . 4.420 3.698 3.352 4.064 . 0 0 "[ . 1]" 1
765 1 52 TRP HA 1 108 PHE QD 3.650 . 5.500 3.798 3.205 4.285 . 0 0 "[ . 1]" 1
766 1 52 TRP HE3 1 56 LEU MD1 3.255 . 4.710 2.990 2.600 3.270 . 0 0 "[ . 1]" 1
767 1 56 LEU MD2 1 108 PHE QD 3.280 . 4.760 2.130 1.828 2.321 . 0 0 "[ . 1]" 1
768 1 121 LEU HG 1 130 PHE QD 3.180 . 4.560 2.560 2.013 4.583 0.023 1 0 "[ . 1]" 1
769 1 81 PHE QD 1 121 LEU HG 3.605 . 5.410 4.938 2.978 5.247 . 0 0 "[ . 1]" 1
770 1 61 ILE HA 1 102 PHE QE 3.260 . 4.720 4.385 3.850 4.725 0.005 6 0 "[ . 1]" 1
771 1 62 PRO HD2 1 102 PHE QE 3.470 . 5.140 4.851 4.402 5.133 . 0 0 "[ . 1]" 1
772 1 118 VAL MG2 1 141 PHE QD 2.865 . 3.930 2.035 1.928 2.168 . 0 0 "[ . 1]" 1
773 1 70 GLY HA3 1 73 PHE QD 3.650 . 5.500 2.606 2.169 3.437 . 0 0 "[ . 1]" 1
774 1 70 GLY HA2 1 73 PHE QD 3.650 . 5.500 4.206 3.806 4.865 . 0 0 "[ . 1]" 1
775 1 75 ASN HA 1 136 TYR QE 3.455 . 5.110 4.092 3.125 5.135 0.025 9 0 "[ . 1]" 1
776 1 77 ARG HG3 1 136 TYR QE 3.315 . 4.830 4.115 3.170 4.848 0.018 6 0 "[ . 1]" 1
777 1 77 ARG HG2 1 136 TYR QE 3.315 . 4.830 3.295 2.377 3.946 . 0 0 "[ . 1]" 1
778 1 79 VAL MG2 1 80 GLN HA 3.290 . 4.780 3.510 3.206 3.723 . 0 0 "[ . 1]" 1
779 1 40 TYR QE 1 82 HIS HB2 3.280 . 4.760 3.302 2.083 4.466 . 0 0 "[ . 1]" 1
780 1 40 TYR QE 1 82 HIS HB3 3.280 . 4.760 3.200 2.212 4.005 . 0 0 "[ . 1]" 1
781 1 91 LEU HB2 1 95 TYR QE 3.360 . 4.920 4.123 3.718 4.660 . 0 0 "[ . 1]" 1
782 1 92 LYS HA 1 95 TYR QD 2.995 . 4.190 3.840 3.340 4.216 0.026 5 0 "[ . 1]" 1
783 1 92 LYS HA 1 95 TYR QE 3.650 . 5.500 5.166 4.713 5.523 0.023 3 0 "[ . 1]" 1
784 1 97 ILE HG12 1 102 PHE QD 3.440 . 5.080 4.407 4.156 4.576 . 0 0 "[ . 1]" 1
785 1 97 ILE MD 1 102 PHE QE 3.605 . 5.410 5.417 5.344 5.453 0.043 8 0 "[ . 1]" 1
786 1 97 ILE MD 1 102 PHE QD 3.305 . 4.810 4.824 4.754 4.853 0.043 5 0 "[ . 1]" 1
787 1 98 MET ME 1 130 PHE QE 3.170 . 4.540 2.597 2.038 3.076 . 0 0 "[ . 1]" 1
788 1 102 PHE QD 1 103 ALA MB 3.355 . 4.910 4.908 4.829 4.951 0.041 6 0 "[ . 1]" 1
789 1 107 HIS HA 1 108 PHE QD 3.455 . 5.110 2.899 2.515 3.830 . 0 0 "[ . 1]" 1
790 1 108 PHE HA 1 108 PHE QD 3.275 . 4.750 3.172 2.867 3.278 . 0 0 "[ . 1]" 1
791 1 108 PHE QD 1 116 VAL HA 3.650 . 5.500 5.507 5.331 5.583 0.083 10 0 "[ . 1]" 1
792 1 107 HIS HE1 1 118 VAL MG2 3.600 . 5.400 5.456 5.432 5.531 0.131 7 0 "[ . 1]" 1
793 1 73 PHE QD 1 120 MET HG2 3.650 . 5.500 4.939 4.543 5.524 0.024 6 0 "[ . 1]" 1
794 1 123 TYR QE 1 125 SER HA 2.735 . 3.670 2.946 2.510 3.297 . 0 0 "[ . 1]" 1
795 1 123 TYR QD 1 125 SER HA 3.310 . 4.820 4.043 3.672 4.282 . 0 0 "[ . 1]" 1
796 1 123 TYR QE 1 128 LYS HB3 3.650 . 5.500 4.507 3.667 5.378 . 0 0 "[ . 1]" 1
797 1 123 TYR QE 1 128 LYS HB2 3.650 . 5.500 5.067 3.840 5.511 0.011 8 0 "[ . 1]" 1
798 1 81 PHE QD 1 132 GLY HA3 3.650 . 5.500 5.542 5.430 5.610 0.110 4 0 "[ . 1]" 1
799 1 81 PHE QD 1 132 GLY HA2 3.135 . 4.470 4.121 4.007 4.230 . 0 0 "[ . 1]" 1
800 1 73 PHE QD 1 133 LEU HB2 3.560 . 5.320 2.197 1.960 2.407 . 0 0 "[ . 1]" 1
801 1 73 PHE QD 1 133 LEU HB3 3.445 . 5.090 2.963 2.420 3.493 . 0 0 "[ . 1]" 1
802 1 52 TRP HZ2 1 134 ILE MG 2.850 . 3.900 3.748 3.308 3.925 0.025 9 0 "[ . 1]" 1
803 1 136 TYR HA 1 136 TYR QE 3.400 . 5.000 4.692 4.360 4.859 . 0 0 "[ . 1]" 1
804 1 138 GLN HA 1 141 PHE QD 3.410 . 5.020 4.408 4.098 4.850 . 0 0 "[ . 1]" 1
805 1 141 PHE QD 1 145 ILE HB 3.350 . 4.900 4.253 3.963 4.726 . 0 0 "[ . 1]" 1
806 1 141 PHE QD 1 145 ILE MD 3.080 . 4.360 3.966 3.680 4.259 . 0 0 "[ . 1]" 1
807 1 58 MET ME 1 60 LEU HG 3.045 . 4.290 3.796 2.678 4.317 0.027 8 0 "[ . 1]" 1
808 1 118 VAL HA 1 119 LEU HA 3.300 . 4.800 4.322 4.261 4.363 . 0 0 "[ . 1]" 1
809 1 142 VAL MG2 1 145 ILE HB 3.035 . 4.270 4.139 4.030 4.282 0.012 7 0 "[ . 1]" 1
810 1 81 PHE HB2 1 121 LEU MD1 3.330 . 4.860 2.378 1.974 3.677 . 0 0 "[ . 1]" 1
811 1 91 LEU HA 1 91 LEU MD1 2.900 . 4.000 3.370 1.975 3.859 . 0 0 "[ . 1]" 1
812 1 149 ILE MG 1 153 GLU HG2 3.120 . 4.440 3.318 2.562 3.833 . 0 0 "[ . 1]" 1
813 1 71 PRO HA 1 74 ARG QB 2.840 . 3.880 3.239 2.234 3.811 . 0 0 "[ . 1]" 1
814 1 74 ARG QB 1 74 ARG HD3 2.880 . 3.960 2.710 2.294 3.527 . 0 0 "[ . 1]" 1
815 1 74 ARG QB 1 74 ARG HD2 2.880 . 3.960 2.746 2.305 3.479 . 0 0 "[ . 1]" 1
816 1 74 ARG HA 1 74 ARG HG3 2.770 . 3.740 3.285 2.557 3.760 0.020 9 0 "[ . 1]" 1
817 1 74 ARG HA 1 74 ARG HG2 2.770 . 3.740 2.945 2.404 3.293 . 0 0 "[ . 1]" 1
818 1 35 LEU MD1 1 90 SER HB3 3.140 . 4.480 2.924 2.442 4.053 . 0 0 "[ . 1]" 1
819 1 35 LEU MD2 1 90 SER HB3 3.140 . 4.480 2.530 1.882 3.450 . 0 0 "[ . 1]" 1
820 1 56 LEU HG 1 108 PHE QE 3.275 . 4.750 4.703 4.522 4.759 0.009 9 0 "[ . 1]" 1
821 1 56 LEU MD2 1 108 PHE HZ 3.360 . 4.920 4.519 4.258 4.674 . 0 0 "[ . 1]" 1
822 1 92 LYS HB3 1 93 GLY HA2 3.280 . 4.760 4.453 4.329 4.658 . 0 0 "[ . 1]" 1
823 1 92 LYS HB3 1 93 GLY HA3 3.280 . 4.760 4.311 4.178 4.443 . 0 0 "[ . 1]" 1
824 1 94 LEU MD2 1 98 MET HG3 3.650 . 5.500 3.237 2.418 4.439 . 0 0 "[ . 1]" 1
825 1 123 TYR QD 1 128 LYS HA 3.585 . 5.370 4.751 4.353 5.071 . 0 0 "[ . 1]" 1
826 1 98 MET ME 1 122 LEU HG 3.295 . 4.790 4.787 4.649 4.834 0.044 4 0 "[ . 1]" 1
827 1 97 ILE MG 1 98 MET HA 2.960 . 4.120 3.347 3.134 3.617 . 0 0 "[ . 1]" 1
828 1 98 MET ME 1 104 GLY HA2 3.155 . 4.510 2.693 2.309 2.988 . 0 0 "[ . 1]" 1
829 1 98 MET ME 1 104 GLY HA3 3.280 . 4.760 3.663 3.413 3.912 . 0 0 "[ . 1]" 1
830 1 98 MET HA 1 102 PHE HB2 3.195 . 4.590 2.633 2.057 3.177 . 0 0 "[ . 1]" 1
831 1 103 ALA MB 1 120 MET HG3 3.155 . 4.510 3.864 3.127 4.391 . 0 0 "[ . 1]" 1
832 1 103 ALA HA 1 122 LEU HG 3.275 . 4.750 4.614 4.428 4.766 0.016 2 0 "[ . 1]" 1
833 1 103 ALA MB 1 122 LEU MD2 3.010 . 4.220 2.024 1.997 2.045 . 0 0 "[ . 1]" 1
834 1 61 ILE MG 1 103 ALA MB 3.430 . 5.060 4.783 4.586 5.080 0.020 1 0 "[ . 1]" 1
835 1 105 CYS HA 1 145 ILE MD 3.650 . 5.500 4.639 4.346 4.887 . 0 0 "[ . 1]" 1
836 1 105 CYS HB3 1 145 ILE MD 3.280 . 4.760 3.519 2.769 4.244 . 0 0 "[ . 1]" 1
837 1 61 ILE MD 1 105 CYS HB3 2.845 . 3.890 2.903 2.237 3.920 0.030 1 0 "[ . 1]" 1
838 1 61 ILE MD 1 105 CYS HB2 2.845 . 3.890 2.837 2.069 3.888 . 0 0 "[ . 1]" 1
839 1 106 VAL MG1 1 107 HIS HA 3.650 . 5.500 3.718 3.615 3.811 . 0 0 "[ . 1]" 1
840 1 35 LEU HB2 1 83 PHE QE 3.380 . 4.960 3.031 2.167 4.967 0.007 5 0 "[ . 1]" 1
841 1 35 LEU MD2 1 83 PHE QD 3.230 . 4.660 3.822 2.836 4.417 . 0 0 "[ . 1]" 1
842 1 119 LEU HA 1 134 ILE MG 3.140 . 4.480 3.652 2.982 4.596 0.116 5 0 "[ . 1]" 1
843 1 119 LEU HA 1 134 ILE MD 3.030 . 4.260 4.018 3.627 4.385 0.125 6 0 "[ . 1]" 1
844 1 119 LEU HB2 1 134 ILE HA 3.305 . 4.810 3.213 2.686 3.586 . 0 0 "[ . 1]" 1
845 1 120 MET ME 1 141 PHE QD 3.380 . 4.960 4.464 4.266 4.709 . 0 0 "[ . 1]" 1
846 1 73 PHE QE 1 120 MET HG2 3.650 . 5.500 3.008 2.601 3.386 . 0 0 "[ . 1]" 1
847 1 120 MET ME 1 145 ILE MD 2.645 . 3.490 2.395 2.191 2.634 . 0 0 "[ . 1]" 1
848 1 120 MET ME 1 122 LEU MD1 3.180 . 4.560 4.488 4.372 4.575 0.015 1 0 "[ . 1]" 1
849 1 120 MET ME 1 145 ILE MG 3.400 . 5.000 3.933 3.536 4.434 . 0 0 "[ . 1]" 1
850 1 120 MET ME 1 122 LEU MD2 3.180 . 4.560 4.179 3.937 4.274 . 0 0 "[ . 1]" 1
851 1 66 LEU MD1 1 120 MET ME 2.690 . 3.580 2.066 1.816 2.598 . 0 0 "[ . 1]" 1
852 1 66 LEU MD2 1 120 MET ME 2.690 . 3.580 3.052 2.351 3.652 0.072 8 0 "[ . 1]" 1
853 1 77 ARG HA 1 136 TYR QE 3.505 . 5.210 4.821 3.900 5.235 0.025 1 0 "[ . 1]" 1
854 1 132 GLY HA3 1 133 LEU HB2 3.370 . 4.940 4.526 4.372 4.753 . 0 0 "[ . 1]" 1
855 1 83 PHE QE 1 121 LEU MD2 2.965 . 4.130 2.929 2.341 3.767 . 0 0 "[ . 1]" 1
856 1 83 PHE HA 1 83 PHE QE 3.270 . 4.740 4.600 4.499 4.695 . 0 0 "[ . 1]" 1
857 1 83 PHE HA 1 83 PHE QD 2.695 . 3.590 2.948 2.636 3.152 . 0 0 "[ . 1]" 1
858 1 130 PHE HA 1 130 PHE QD 2.925 . 4.050 3.136 3.090 3.169 . 0 0 "[ . 1]" 1
859 1 123 TYR QE 1 130 PHE QD 2.975 . 4.150 4.078 3.778 4.186 0.036 10 0 "[ . 1]" 1
860 1 123 TYR QE 1 130 PHE HA 3.450 . 5.100 4.903 4.712 5.134 0.034 10 0 "[ . 1]" 1
861 1 73 PHE HA 1 73 PHE QE 3.335 . 4.870 4.459 4.356 4.592 . 0 0 "[ . 1]" 1
862 1 73 PHE HA 1 73 PHE QD 2.525 . 3.250 2.656 2.233 3.051 . 0 0 "[ . 1]" 1
863 1 102 PHE HA 1 102 PHE QD 2.910 . 4.020 2.500 2.394 2.590 . 0 0 "[ . 1]" 1
864 1 102 PHE HA 1 102 PHE QE 3.065 . 4.330 4.377 4.353 4.400 0.070 9 0 "[ . 1]" 1
865 1 141 PHE HA 1 141 PHE QD 2.485 . 3.170 2.834 2.651 3.033 . 0 0 "[ . 1]" 1
866 1 95 TYR HA 1 95 TYR QD 2.515 . 3.230 2.661 2.334 3.073 . 0 0 "[ . 1]" 1
867 1 95 TYR HA 1 95 TYR QE 3.170 . 4.540 4.511 4.417 4.594 0.054 6 0 "[ . 1]" 1
868 1 123 TYR HA 1 123 TYR QD 2.590 . 3.380 2.419 2.295 2.527 . 0 0 "[ . 1]" 1
869 1 16 TRP HA 1 16 TRP HD1 3.110 . 4.420 4.169 3.198 4.348 . 0 0 "[ . 1]" 1
870 1 10 TRP HA 1 10 TRP HD1 2.725 . 3.650 2.943 2.816 3.080 . 0 0 "[ . 1]" 1
871 1 10 TRP HB3 1 10 TRP HD1 2.840 . 3.880 3.884 3.868 3.893 0.013 10 0 "[ . 1]" 1
872 1 10 TRP HB2 1 10 TRP HE3 3.000 . 4.200 3.899 3.851 3.946 . 0 0 "[ . 1]" 1
873 1 82 HIS HA 1 82 HIS HD2 2.525 . 3.250 3.061 2.845 3.322 0.072 3 0 "[ . 1]" 1
874 1 81 PHE HA 1 81 PHE QD 2.785 . 3.770 3.096 3.063 3.129 . 0 0 "[ . 1]" 1
875 1 107 HIS HA 1 107 HIS HD2 2.970 . 4.140 3.202 2.738 3.657 . 0 0 "[ . 1]" 1
876 1 99 GLY HA2 1 123 TYR QE 3.195 . 4.590 4.150 3.427 4.546 . 0 0 "[ . 1]" 1
877 1 123 TYR QE 1 128 LYS HA 2.660 . 3.520 2.977 2.477 3.286 . 0 0 "[ . 1]" 1
878 1 97 ILE HA 1 102 PHE QE 3.650 . 5.500 4.069 3.892 4.276 . 0 0 "[ . 1]" 1
879 1 62 PRO HA 1 102 PHE QE 2.900 . 4.000 3.245 3.062 3.513 . 0 0 "[ . 1]" 1
880 1 10 TRP HZ3 1 52 TRP HZ3 2.910 . 4.020 4.051 4.029 4.069 0.049 5 0 "[ . 1]" 1
881 1 52 TRP HB3 1 52 TRP HE3 2.950 . 4.100 2.520 2.393 2.650 . 0 0 "[ . 1]" 1
882 1 52 TRP HB2 1 52 TRP HE3 2.950 . 4.100 3.333 3.144 3.565 . 0 0 "[ . 1]" 1
883 1 52 TRP HA 1 52 TRP HE3 3.425 . 5.050 4.783 4.530 4.959 . 0 0 "[ . 1]" 1
884 1 10 TRP HZ2 1 56 LEU MD1 3.150 . 4.500 4.049 3.854 4.221 . 0 0 "[ . 1]" 1
885 1 10 TRP HZ2 1 56 LEU HG 2.750 . 3.700 3.308 3.019 3.621 . 0 0 "[ . 1]" 1
886 1 49 THR MG 1 52 TRP HD1 3.080 . 4.360 4.160 3.740 4.402 0.042 6 0 "[ . 1]" 1
887 1 52 TRP HE3 1 56 LEU MD2 3.255 . 4.710 3.862 3.331 4.246 . 0 0 "[ . 1]" 1
888 1 49 THR MG 1 52 TRP HE3 2.755 . 3.710 3.564 3.375 3.732 0.022 2 0 "[ . 1]" 1
889 1 49 THR MG 1 52 TRP HZ2 3.125 . 4.450 3.678 3.294 4.050 . 0 0 "[ . 1]" 1
890 1 49 THR MG 1 52 TRP HH2 3.235 . 4.670 3.981 3.625 4.282 . 0 0 "[ . 1]" 1
891 1 49 THR MG 1 52 TRP HZ3 3.165 . 4.530 3.900 3.539 4.133 . 0 0 "[ . 1]" 1
892 1 37 CYS HB3 1 83 PHE QE 3.070 . 4.340 3.149 2.703 3.775 . 0 0 "[ . 1]" 1
893 1 37 CYS HB2 1 83 PHE QE 3.070 . 4.340 4.157 3.682 4.383 0.043 9 0 "[ . 1]" 1
894 1 37 CYS HB3 1 83 PHE QD 3.100 . 4.400 2.720 2.097 3.179 . 0 0 "[ . 1]" 1
895 1 37 CYS HB2 1 83 PHE QD 3.100 . 4.400 3.835 3.044 4.163 . 0 0 "[ . 1]" 1
896 1 10 TRP HE3 1 39 VAL MG2 2.875 . 3.950 1.946 1.873 2.008 . 0 0 "[ . 1]" 1
897 1 10 TRP HE3 1 39 VAL HB 2.960 . 4.120 2.525 2.322 2.717 . 0 0 "[ . 1]" 1
898 1 10 TRP HE3 1 39 VAL HA 3.650 . 5.500 5.031 4.878 5.245 . 0 0 "[ . 1]" 1
899 1 39 VAL HA 1 40 TYR QE 3.650 . 5.500 5.040 4.784 5.258 . 0 0 "[ . 1]" 1
900 1 8 LEU HA 1 40 TYR QD 2.590 . 3.380 2.062 1.901 2.213 . 0 0 "[ . 1]" 1
901 1 69 LEU HG 1 141 PHE QE 3.480 . 5.160 4.385 3.068 5.189 0.029 4 0 "[ . 1]" 1
902 1 9 ALA MB 1 40 TYR QD 3.340 . 4.880 4.906 4.744 4.967 0.087 2 0 "[ . 1]" 1
903 1 141 PHE QE 1 142 VAL MG2 3.445 . 5.090 4.683 4.077 5.105 0.015 1 0 "[ . 1]" 1
904 1 39 VAL HA 1 40 TYR QD 2.925 . 4.050 3.810 3.531 4.077 0.027 6 0 "[ . 1]" 1
905 1 43 HIS HA 1 43 HIS HD2 2.915 . 4.030 3.551 2.819 4.209 0.179 10 0 "[ . 1]" 1
906 1 7 LEU MD2 1 43 HIS HE1 3.105 . 4.410 3.669 2.534 4.556 0.146 10 0 "[ . 1]" 1
907 1 7 LEU MD1 1 43 HIS HE1 3.105 . 4.410 3.302 2.924 3.792 . 0 0 "[ . 1]" 1
908 1 7 LEU HG 1 43 HIS HE1 3.650 . 5.500 4.180 3.312 5.495 . 0 0 "[ . 1]" 1
909 1 10 TRP HH2 1 55 LYS HA 3.575 . 5.350 3.899 3.617 4.245 . 0 0 "[ . 1]" 1
910 1 10 TRP HZ2 1 54 GLN HA 2.615 . 3.430 2.163 1.912 2.681 . 0 0 "[ . 1]" 1
911 1 10 TRP HH2 1 54 GLN HA 3.325 . 4.850 4.391 4.136 4.868 0.018 5 0 "[ . 1]" 1
912 1 10 TRP HZ2 1 12 GLY HA3 2.950 . 4.100 4.015 3.899 4.125 0.025 1 0 "[ . 1]" 1
913 1 10 TRP HZ2 1 12 GLY HA2 2.835 . 3.870 2.640 2.578 2.697 . 0 0 "[ . 1]" 1
914 1 10 TRP HH2 1 12 GLY HA3 3.650 . 5.500 4.663 4.409 4.870 . 0 0 "[ . 1]" 1
915 1 10 TRP HH2 1 12 GLY HA2 3.165 . 4.530 3.042 2.788 3.268 . 0 0 "[ . 1]" 1
916 1 10 TRP HH2 1 56 LEU HG 3.025 . 4.250 2.262 2.097 2.378 . 0 0 "[ . 1]" 1
917 1 10 TRP HH2 1 56 LEU MD1 3.120 . 4.440 2.909 2.705 3.171 . 0 0 "[ . 1]" 1
918 1 10 TRP HH2 1 56 LEU MD2 3.120 . 4.440 3.843 3.680 4.012 . 0 0 "[ . 1]" 1
919 1 10 TRP HZ2 1 56 LEU MD2 3.150 . 4.500 3.903 3.588 4.135 . 0 0 "[ . 1]" 1
920 1 94 LEU HB3 1 95 TYR QE 3.255 . 4.710 4.270 3.972 4.714 0.004 1 0 "[ . 1]" 1
921 1 79 VAL MG2 1 81 PHE QD 2.230 . 2.660 2.259 2.037 2.680 0.020 1 0 "[ . 1]" 1
922 1 35 LEU HB3 1 83 PHE QD 2.740 . 3.680 2.707 2.194 3.651 . 0 0 "[ . 1]" 1
923 1 35 LEU HB2 1 83 PHE QD 3.365 . 4.930 3.479 2.667 4.845 . 0 0 "[ . 1]" 1
924 1 88 LEU MD2 1 95 TYR QE 3.400 . 5.000 4.945 4.342 5.090 0.090 3 0 "[ . 1]" 1
925 1 91 LEU HB3 1 95 TYR QD 2.695 . 3.590 3.124 2.428 3.618 0.028 5 0 "[ . 1]" 1
926 1 62 PRO HA 1 102 PHE QD 2.715 . 3.630 2.250 1.972 2.724 . 0 0 "[ . 1]" 1
927 1 69 LEU HB2 1 73 PHE QE 3.095 . 4.390 2.394 2.072 3.119 . 0 0 "[ . 1]" 1
928 1 69 LEU HB2 1 73 PHE QD 2.945 . 4.090 3.691 3.142 4.209 0.119 7 0 "[ . 1]" 1
929 1 69 LEU HB3 1 73 PHE QE 3.095 . 4.390 2.770 1.898 3.275 . 0 0 "[ . 1]" 1
930 1 35 LEU HG 1 83 PHE QD 3.650 . 5.500 4.491 2.252 5.528 0.028 10 0 "[ . 1]" 1
931 1 69 LEU HB3 1 73 PHE QD 2.945 . 4.090 3.495 2.531 3.829 . 0 0 "[ . 1]" 1
932 1 108 PHE QD 1 118 VAL HA 2.750 . 3.700 2.383 2.165 2.548 . 0 0 "[ . 1]" 1
933 1 16 TRP HD1 1 34 SER HA 3.470 . 5.140 3.789 2.890 5.381 0.241 5 0 "[ . 1]" 1
934 1 123 TYR QD 1 130 PHE QD 2.790 . 3.780 3.205 3.076 3.302 . 0 0 "[ . 1]" 1
935 1 123 TYR QD 1 130 PHE HA 2.745 . 3.690 3.028 2.801 3.335 . 0 0 "[ . 1]" 1
936 1 123 TYR HA 1 130 PHE QD 2.925 . 4.050 3.182 2.973 3.417 . 0 0 "[ . 1]" 1
937 1 99 GLY HA2 1 123 TYR QD 3.245 . 4.690 3.881 2.924 4.635 . 0 0 "[ . 1]" 1
938 1 123 TYR QE 1 129 ILE HA 2.910 . 4.020 3.238 2.987 3.598 . 0 0 "[ . 1]" 1
939 1 123 TYR QD 1 129 ILE HA 3.180 . 4.560 3.805 3.626 4.039 . 0 0 "[ . 1]" 1
940 1 95 TYR HA 1 123 TYR QD 3.190 . 4.580 4.040 3.477 4.566 . 0 0 "[ . 1]" 1
941 1 95 TYR HA 1 123 TYR QE 3.365 . 4.930 4.147 3.459 4.807 . 0 0 "[ . 1]" 1
942 1 95 TYR QE 1 123 TYR QD 3.520 . 5.240 4.703 4.291 5.105 . 0 0 "[ . 1]" 1
943 1 95 TYR QD 1 123 TYR QD 3.570 . 5.340 4.672 4.269 4.952 . 0 0 "[ . 1]" 1
944 1 99 GLY HA3 1 123 TYR QE 3.195 . 4.590 4.335 3.660 4.615 0.025 8 0 "[ . 1]" 1
945 1 99 GLY HA3 1 123 TYR QD 3.245 . 4.690 3.302 2.393 3.934 . 0 0 "[ . 1]" 1
946 1 95 TYR QD 1 130 PHE HZ 2.900 . 4.000 2.831 2.394 3.501 . 0 0 "[ . 1]" 1
947 1 95 TYR QE 1 130 PHE HZ 2.890 . 3.980 2.874 2.198 3.361 . 0 0 "[ . 1]" 1
948 1 95 TYR HA 1 130 PHE HZ 3.060 . 4.320 3.657 3.473 3.990 . 0 0 "[ . 1]" 1
949 1 95 TYR QD 1 123 TYR QE 2.910 . 4.020 3.739 3.282 4.038 0.018 1 0 "[ . 1]" 1
950 1 95 TYR QE 1 123 TYR QE 3.035 . 4.270 3.541 2.469 4.154 . 0 0 "[ . 1]" 1
951 1 77 ARG HD3 1 136 TYR QE 3.180 . 4.560 3.625 2.475 4.561 0.001 8 0 "[ . 1]" 1
952 1 77 ARG HD2 1 136 TYR QE 3.180 . 4.560 3.563 2.213 4.394 . 0 0 "[ . 1]" 1
953 1 56 LEU MD2 1 108 PHE QE 3.145 . 4.490 3.104 2.769 3.275 . 0 0 "[ . 1]" 1
954 1 56 LEU MD1 1 108 PHE QE 3.145 . 4.490 2.468 2.207 2.666 . 0 0 "[ . 1]" 1
955 1 56 LEU MD1 1 108 PHE QD 3.280 . 4.760 3.102 2.957 3.277 . 0 0 "[ . 1]" 1
956 1 56 LEU HG 1 108 PHE QD 3.120 . 4.440 4.538 4.449 4.621 0.181 4 0 "[ . 1]" 1
957 1 49 THR HB 1 52 TRP HE3 3.325 . 4.850 4.070 3.723 4.648 . 0 0 "[ . 1]" 1
958 1 39 VAL MG1 1 52 TRP HZ3 3.285 . 4.770 3.148 2.505 3.490 . 0 0 "[ . 1]" 1
959 1 52 TRP HH2 1 134 ILE MG 3.155 . 4.510 3.996 3.355 4.526 0.016 3 0 "[ . 1]" 1
960 1 80 GLN HA 1 81 PHE QD 3.195 . 4.590 3.568 3.317 3.966 . 0 0 "[ . 1]" 1
961 1 107 HIS HE1 1 142 VAL HA 3.080 . 4.360 4.216 3.681 4.376 0.016 1 0 "[ . 1]" 1
962 1 107 HIS HD2 1 142 VAL HA 3.305 . 4.810 4.704 4.489 4.861 0.051 8 0 "[ . 1]" 1
963 1 107 HIS HD2 1 142 VAL MG2 2.765 . 3.730 2.369 2.098 2.526 . 0 0 "[ . 1]" 1
964 1 107 HIS HE1 1 142 VAL MG2 3.010 . 4.220 4.059 3.873 4.188 . 0 0 "[ . 1]" 1
965 1 107 HIS HE1 1 142 VAL MG1 3.185 . 4.570 4.039 3.520 4.414 . 0 0 "[ . 1]" 1
966 1 107 HIS HD2 1 142 VAL MG1 2.815 . 3.830 3.538 2.764 3.844 0.014 4 0 "[ . 1]" 1
967 1 141 PHE QD 1 142 VAL HA 2.630 . 3.460 3.365 3.019 3.511 0.051 5 0 "[ . 1]" 1
968 1 141 PHE QD 1 142 VAL MG2 2.840 . 3.880 3.104 2.675 3.446 . 0 0 "[ . 1]" 1
969 1 72 LEU HG 1 141 PHE QD 2.645 . 3.490 2.590 2.075 3.526 0.036 4 0 "[ . 1]" 1
970 1 16 TRP HD1 1 58 MET ME 3.040 . 4.280 3.488 1.908 4.301 0.021 8 0 "[ . 1]" 1
971 1 141 PHE QD 1 145 ILE HG13 3.175 . 4.550 3.166 3.004 3.482 . 0 0 "[ . 1]" 1
972 1 141 PHE QD 1 145 ILE HG12 3.175 . 4.550 3.424 3.200 3.748 . 0 0 "[ . 1]" 1
973 1 107 HIS HD2 1 118 VAL MG2 3.440 . 5.080 4.051 3.437 4.775 . 0 0 "[ . 1]" 1
974 1 107 HIS HE1 1 145 ILE MG 2.555 . 3.310 2.083 1.951 2.535 . 0 0 "[ . 1]" 1
975 1 118 VAL HB 1 141 PHE QD 3.030 . 4.260 3.417 3.123 3.681 . 0 0 "[ . 1]" 1
976 1 118 VAL MG1 1 141 PHE QD 2.865 . 3.930 3.656 3.287 3.952 0.022 10 0 "[ . 1]" 1
977 1 107 HIS HE1 1 149 ILE MD 2.865 . 3.930 3.321 2.569 3.928 . 0 0 "[ . 1]" 1
978 1 121 LEU MD1 1 130 PHE QD 2.635 . 3.470 2.940 2.288 3.479 0.009 1 0 "[ . 1]" 1
979 1 121 LEU MD2 1 130 PHE QD 2.635 . 3.470 2.821 1.956 3.167 . 0 0 "[ . 1]" 1
980 1 83 PHE QE 1 121 LEU MD1 2.965 . 4.130 3.614 3.189 4.119 . 0 0 "[ . 1]" 1
981 1 83 PHE HZ 1 121 LEU MD1 3.110 . 4.420 4.015 2.267 4.467 0.047 7 0 "[ . 1]" 1
982 1 83 PHE HZ 1 121 LEU MD2 3.110 . 4.420 2.647 2.018 3.624 . 0 0 "[ . 1]" 1
983 1 81 PHE QD 1 83 PHE QE 2.895 . 3.990 3.560 2.212 4.012 0.022 1 0 "[ . 1]" 1
984 1 81 PHE QD 1 83 PHE HZ 3.040 . 4.280 3.866 3.411 4.284 0.004 4 0 "[ . 1]" 1
985 1 83 PHE HZ 1 130 PHE QD 3.425 . 5.050 4.538 4.206 5.043 . 0 0 "[ . 1]" 1
986 1 83 PHE QE 1 130 PHE QD 2.835 . 3.870 3.053 2.355 3.510 . 0 0 "[ . 1]" 1
987 1 81 PHE QD 1 121 LEU MD2 2.650 . 3.500 3.379 2.845 3.534 0.034 4 0 "[ . 1]" 1
988 1 81 PHE QD 1 121 LEU MD1 2.650 . 3.500 2.740 2.582 3.518 0.018 1 0 "[ . 1]" 1
989 1 39 VAL HB 1 81 PHE QE 3.355 . 4.910 4.936 4.919 4.964 0.054 5 0 "[ . 1]" 1
990 1 97 ILE MG 1 102 PHE QE 2.895 . 3.990 3.423 3.169 3.728 . 0 0 "[ . 1]" 1
991 1 97 ILE MG 1 102 PHE QD 2.735 . 3.670 2.292 2.173 2.461 . 0 0 "[ . 1]" 1
992 1 98 MET ME 1 130 PHE QD 2.685 . 3.570 2.635 2.384 3.001 . 0 0 "[ . 1]" 1
993 1 98 MET ME 1 123 TYR QD 3.510 . 5.220 4.703 4.256 5.128 . 0 0 "[ . 1]" 1
994 1 79 VAL HB 1 81 PHE QE 3.080 . 4.360 3.213 2.912 3.876 . 0 0 "[ . 1]" 1
995 1 10 TRP HD1 1 52 TRP HE3 3.085 . 4.370 4.140 3.755 4.358 . 0 0 "[ . 1]" 1
996 1 14 LEU MD1 1 83 PHE QE 3.380 . 4.960 3.383 2.022 4.960 . 0 0 "[ . 1]" 1
997 1 91 LEU HA 1 95 TYR QE 3.110 . 4.420 3.925 3.631 4.381 . 0 0 "[ . 1]" 1
998 1 91 LEU HA 1 95 TYR QD 2.845 . 3.890 3.541 2.984 3.952 0.062 10 0 "[ . 1]" 1
999 1 91 LEU HB3 1 95 TYR QE 2.600 . 3.400 2.603 2.050 3.102 . 0 0 "[ . 1]" 1
1000 1 123 TYR QE 1 130 PHE QE 3.090 . 4.380 3.641 3.497 3.792 . 0 0 "[ . 1]" 1
1001 1 52 TRP HA 1 52 TRP HD1 2.480 . 3.160 2.729 2.588 2.931 . 0 0 "[ . 1]" 1
1002 1 49 THR HA 1 52 TRP HD1 3.095 . 4.390 3.062 2.681 3.381 . 0 0 "[ . 1]" 1
1003 1 40 TYR HA 1 40 TYR QD 2.570 . 3.340 2.832 2.585 3.100 . 0 0 "[ . 1]" 1
1004 1 37 CYS HA 1 83 PHE QD 3.035 . 4.270 3.655 2.559 4.208 . 0 0 "[ . 1]" 1
1005 1 37 CYS HA 1 83 PHE QE 3.650 . 5.500 5.021 4.140 5.503 0.003 7 0 "[ . 1]" 1
1006 1 107 HIS HD2 1 118 VAL MG1 3.440 . 5.080 2.353 1.955 3.110 . 0 0 "[ . 1]" 1
1007 1 107 HIS HE1 1 149 ILE HG12 3.650 . 5.500 5.320 4.882 5.584 0.084 8 0 "[ . 1]" 1
1008 1 107 HIS HE1 1 145 ILE HB 3.170 . 4.540 3.428 2.930 3.660 . 0 0 "[ . 1]" 1
1009 1 107 HIS HE1 1 149 ILE HG13 3.650 . 5.500 5.025 4.660 5.363 . 0 0 "[ . 1]" 1
1010 1 107 HIS HE1 1 118 VAL MG1 3.600 . 5.400 5.129 4.670 5.322 . 0 0 "[ . 1]" 1
1011 1 3 VAL HA 1 3 VAL QG 2.300 . 2.800 2.254 2.134 2.372 . 0 0 "[ . 1]" 1
1012 1 3 VAL QG 1 43 HIS HE1 3.255 . 4.710 3.832 2.372 4.729 0.019 1 0 "[ . 1]" 1
1013 1 4 SER HA 1 4 SER QB 2.150 . 2.500 2.349 2.288 2.426 . 0 0 "[ . 1]" 1
1014 1 6 LYS H 1 6 LYS QB 2.625 . 3.450 3.099 2.441 3.325 . 0 0 "[ . 1]" 1
1015 1 6 LYS H 1 6 LYS QG 2.585 . 3.370 2.491 1.940 3.320 . 0 0 "[ . 1]" 1
1016 1 6 LYS H 1 6 LYS QD 2.910 . 4.020 2.861 1.723 4.124 0.104 9 0 "[ . 1]" 1
1017 1 6 LYS HA 1 6 LYS QG 2.640 . 3.480 3.351 2.399 3.505 0.025 3 0 "[ . 1]" 1
1018 1 6 LYS HA 1 6 LYS QD 2.880 . 3.960 3.716 3.592 3.909 . 0 0 "[ . 1]" 1
1019 1 6 LYS HA 1 6 LYS QE 3.385 . 4.970 4.961 4.218 5.124 0.154 1 0 "[ . 1]" 1
1020 1 6 LYS QB 1 6 LYS QD 2.565 . 3.330 2.374 2.047 2.791 . 0 0 "[ . 1]" 1
1021 1 6 LYS QB 1 6 LYS QE 3.080 . 4.360 3.481 2.223 3.781 . 0 0 "[ . 1]" 1
1022 1 6 LYS QB 1 7 LEU H 2.910 . 4.020 2.802 2.369 3.047 . 0 0 "[ . 1]" 1
1023 1 6 LYS QB 1 40 TYR QB 2.780 . 3.760 2.069 1.934 2.261 . 0 0 "[ . 1]" 1
1024 1 6 LYS QB 1 40 TYR QD 2.800 . 3.800 3.539 3.097 3.824 0.024 3 0 "[ . 1]" 1
1025 1 6 LYS QB 1 42 ASN HA 3.290 . 4.780 3.864 3.160 4.723 . 0 0 "[ . 1]" 1
1026 1 6 LYS QE 1 6 LYS QG 2.465 . 3.130 2.204 2.014 2.381 . 0 0 "[ . 1]" 1
1027 1 6 LYS QG 1 40 TYR QD 3.405 . 5.010 4.079 2.461 5.095 0.085 9 0 "[ . 1]" 1
1028 1 6 LYS QD 1 7 LEU H 3.060 . 4.320 4.059 3.677 4.470 0.150 3 0 "[ . 1]" 1
1029 1 6 LYS QD 1 40 TYR QD 3.250 . 4.700 3.162 2.555 4.535 . 0 0 "[ . 1]" 1
1030 1 7 LEU HA 1 7 LEU QD 2.605 . 3.410 3.105 2.935 3.156 . 0 0 "[ . 1]" 1
1031 1 7 LEU HA 1 41 VAL QG 3.130 . 4.460 4.224 4.108 4.454 . 0 0 "[ . 1]" 1
1032 1 7 LEU HB2 1 41 VAL QG 3.080 . 4.360 1.935 1.839 2.134 . 0 0 "[ . 1]" 1
1033 1 7 LEU HB3 1 41 VAL QG 3.100 . 4.400 3.152 2.874 3.422 . 0 0 "[ . 1]" 1
1034 1 7 LEU QD 1 43 HIS HA 2.740 . 3.680 2.520 2.267 2.671 . 0 0 "[ . 1]" 1
1035 1 7 LEU QD 1 43 HIS QB 3.085 . 4.370 3.167 1.674 3.569 0.126 10 0 "[ . 1]" 1
1036 1 7 LEU QD 1 43 HIS HD2 2.810 . 3.820 3.008 2.550 3.968 0.148 10 0 "[ . 1]" 1
1037 1 7 LEU QD 1 43 HIS HE1 2.760 . 3.720 2.956 2.462 3.615 . 0 0 "[ . 1]" 1
1038 1 7 LEU QD 1 45 GLU H 3.040 . 4.280 4.055 3.658 4.264 . 0 0 "[ . 1]" 1
1039 1 8 LEU HA 1 8 LEU QD 2.370 . 2.940 2.228 2.087 2.663 . 0 0 "[ . 1]" 1
1040 1 8 LEU QB 1 8 LEU QD 2.295 . 2.790 2.011 1.930 2.101 . 0 0 "[ . 1]" 1
1041 1 8 LEU QB 1 40 TYR QD 3.015 . 4.230 3.013 2.621 3.278 . 0 0 "[ . 1]" 1
1042 1 8 LEU QD 1 9 ALA H 2.985 . 4.170 2.335 2.147 2.571 . 0 0 "[ . 1]" 1
1043 1 8 LEU QD 1 10 TRP H 2.770 . 3.740 3.004 2.519 3.365 . 0 0 "[ . 1]" 1
1044 1 8 LEU QD 1 11 SER H 3.250 . 4.700 4.367 3.922 4.704 0.004 9 0 "[ . 1]" 1
1045 1 8 LEU QD 1 11 SER HA 3.350 . 4.900 4.472 4.181 4.737 . 0 0 "[ . 1]" 1
1046 1 8 LEU QD 1 11 SER QB 2.930 . 4.060 3.420 3.095 4.029 . 0 0 "[ . 1]" 1
1047 1 8 LEU QD 1 39 VAL H 3.300 . 4.800 3.684 3.472 3.915 . 0 0 "[ . 1]" 1
1048 1 8 LEU QD 1 40 TYR HA 3.120 . 4.440 3.550 3.328 3.864 . 0 0 "[ . 1]" 1
1049 1 8 LEU QD 1 40 TYR QD 2.585 . 3.370 3.071 2.753 3.438 0.068 6 0 "[ . 1]" 1
1050 1 9 ALA HA 1 41 VAL QG 2.865 . 3.930 3.561 3.174 3.859 . 0 0 "[ . 1]" 1
1051 1 9 ALA MB 1 47 LEU QD 2.850 . 3.900 2.955 2.134 3.678 . 0 0 "[ . 1]" 1
1052 1 10 TRP H 1 11 SER QB 3.500 . 5.200 5.012 4.742 5.284 0.084 4 0 "[ . 1]" 1
1053 1 10 TRP HB2 1 39 VAL QG 3.620 . 5.440 4.240 4.031 4.399 . 0 0 "[ . 1]" 1
1054 1 10 TRP HB3 1 39 VAL QG 3.170 . 4.540 3.054 2.913 3.170 . 0 0 "[ . 1]" 1
1055 1 10 TRP HD1 1 52 TRP QB 3.005 . 4.210 3.379 3.105 3.694 . 0 0 "[ . 1]" 1
1056 1 10 TRP HE3 1 39 VAL QG 2.600 . 3.400 1.926 1.864 1.983 . 0 0 "[ . 1]" 1
1057 1 10 TRP HE1 1 52 TRP QB 2.925 . 4.050 3.106 2.915 3.288 . 0 0 "[ . 1]" 1
1058 1 10 TRP HE1 1 56 LEU QD 3.380 . 4.960 4.755 4.540 4.969 0.009 6 0 "[ . 1]" 1
1059 1 10 TRP HZ3 1 39 VAL QG 2.620 . 3.440 2.485 2.262 2.695 . 0 0 "[ . 1]" 1
1060 1 10 TRP HZ2 1 14 LEU QD 3.430 . 5.060 4.692 4.308 5.099 0.039 7 0 "[ . 1]" 1
1061 1 10 TRP HZ2 1 54 GLN QB 3.570 . 5.340 3.978 3.633 4.440 . 0 0 "[ . 1]" 1
1062 1 10 TRP HZ2 1 54 GLN QG 3.565 . 5.330 4.533 3.870 5.047 . 0 0 "[ . 1]" 1
1063 1 10 TRP HZ2 1 56 LEU QD 2.770 . 3.740 3.534 3.329 3.681 . 0 0 "[ . 1]" 1
1064 1 10 TRP HH2 1 14 LEU QD 3.190 . 4.580 2.700 2.300 3.198 . 0 0 "[ . 1]" 1
1065 1 10 TRP HH2 1 56 LEU QD 2.745 . 3.690 2.822 2.654 3.003 . 0 0 "[ . 1]" 1
1066 1 11 SER H 1 11 SER QB 2.675 . 3.550 2.693 2.350 3.159 . 0 0 "[ . 1]" 1
1067 1 13 VAL H 1 13 VAL QG 3.050 . 4.300 2.562 2.498 2.671 . 0 0 "[ . 1]" 1
1068 1 13 VAL H 1 14 LEU QD 3.355 . 4.910 4.326 3.791 5.006 0.096 7 0 "[ . 1]" 1
1069 1 13 VAL HA 1 13 VAL QG 2.380 . 2.960 2.168 2.156 2.175 . 0 0 "[ . 1]" 1
1070 1 13 VAL HA 1 14 LEU QB 3.570 . 5.340 4.248 3.826 4.469 . 0 0 "[ . 1]" 1
1071 1 13 VAL HB 1 34 SER QB 3.420 . 5.040 4.223 3.971 4.514 . 0 0 "[ . 1]" 1
1072 1 13 VAL HB 1 55 LYS QG 2.830 . 3.860 2.564 2.017 3.868 0.008 8 0 "[ . 1]" 1
1073 1 13 VAL HB 1 55 LYS QE 3.180 . 4.560 3.370 2.151 4.476 . 0 0 "[ . 1]" 1
1074 1 13 VAL QG 1 14 LEU H 2.665 . 3.530 2.452 2.378 2.541 . 0 0 "[ . 1]" 1
1075 1 13 VAL QG 1 34 SER QB 2.480 . 3.160 2.014 1.801 2.232 . 0 0 "[ . 1]" 1
1076 1 13 VAL QG 1 35 LEU H 2.955 . 4.110 2.671 2.518 2.878 . 0 0 "[ . 1]" 1
1077 1 13 VAL QG 1 36 PRO HA 2.520 . 3.240 2.299 2.096 2.488 . 0 0 "[ . 1]" 1
1078 1 13 VAL QG 1 36 PRO HB3 2.860 . 3.920 2.549 2.141 3.003 . 0 0 "[ . 1]" 1
1079 1 13 VAL QG 1 36 PRO QD 2.920 . 4.040 3.112 2.772 3.425 . 0 0 "[ . 1]" 1
1080 1 13 VAL QG 1 37 CYS H 3.120 . 4.440 3.715 3.467 3.898 . 0 0 "[ . 1]" 1
1081 1 13 VAL QG 1 55 LYS HA 3.580 . 5.360 3.748 3.516 3.949 . 0 0 "[ . 1]" 1
1082 1 13 VAL QG 1 55 LYS QE 3.015 . 4.230 2.859 1.957 4.085 . 0 0 "[ . 1]" 1
1083 1 14 LEU HA 1 14 LEU QD 2.565 . 3.330 2.213 1.936 2.516 . 0 0 "[ . 1]" 1
1084 1 14 LEU HA 1 56 LEU QD 3.355 . 4.910 4.432 4.235 4.601 . 0 0 "[ . 1]" 1
1085 1 14 LEU HA 1 106 VAL QG 3.620 . 5.440 4.534 4.239 4.893 . 0 0 "[ . 1]" 1
1086 1 14 LEU QB 1 14 LEU QD 2.280 . 2.760 1.933 1.914 1.965 . 0 0 "[ . 1]" 1
1087 1 14 LEU QB 1 83 PHE QE 3.170 . 4.540 3.097 2.714 3.682 . 0 0 "[ . 1]" 1
1088 1 14 LEU QD 1 15 GLU H 3.015 . 4.230 3.576 2.722 3.965 . 0 0 "[ . 1]" 1
1089 1 14 LEU QD 1 55 LYS HA 3.620 . 5.440 4.197 3.927 4.426 . 0 0 "[ . 1]" 1
1090 1 14 LEU QD 1 56 LEU QD 2.810 . 3.820 2.384 2.144 2.669 . 0 0 "[ . 1]" 1
1091 1 14 LEU QD 1 58 MET ME 2.760 . 3.720 3.084 2.255 3.733 0.013 5 0 "[ . 1]" 1
1092 1 14 LEU QD 1 81 PHE QD 2.825 . 3.850 2.758 2.304 3.310 . 0 0 "[ . 1]" 1
1093 1 14 LEU QD 1 83 PHE QE 2.640 . 3.480 2.737 2.019 3.499 0.019 8 0 "[ . 1]" 1
1094 1 14 LEU QD 1 83 PHE HZ 2.500 . 3.200 2.505 2.036 3.209 0.009 5 0 "[ . 1]" 1
1095 1 14 LEU QD 1 106 VAL QG 2.695 . 3.590 2.231 1.927 2.685 . 0 0 "[ . 1]" 1
1096 1 14 LEU QD 1 121 LEU QD 2.505 . 3.210 2.258 2.061 2.394 . 0 0 "[ . 1]" 1
1097 1 15 GLU HA 1 15 GLU QG 2.680 . 3.560 2.297 2.142 2.379 . 0 0 "[ . 1]" 1
1098 1 15 GLU HA 1 34 SER QB 2.755 . 3.710 3.092 2.362 3.568 . 0 0 "[ . 1]" 1
1099 1 15 GLU HB2 1 34 SER QB 3.200 . 4.600 3.817 2.339 4.626 0.026 7 0 "[ . 1]" 1
1100 1 15 GLU QG 1 16 TRP H 2.815 . 3.830 3.365 2.616 3.892 0.062 7 0 "[ . 1]" 1
1101 1 15 GLU QG 1 32 THR HB 3.140 . 4.480 3.870 2.318 4.550 0.070 6 0 "[ . 1]" 1
1102 1 15 GLU QG 1 32 THR MG 2.410 . 3.020 2.511 1.788 3.067 0.047 7 0 "[ . 1]" 1
1103 1 15 GLU QG 1 34 SER HA 2.645 . 3.490 2.741 2.255 3.244 . 0 0 "[ . 1]" 1
1104 1 15 GLU QG 1 34 SER QB 2.680 . 3.560 1.883 1.790 1.955 0.010 6 0 "[ . 1]" 1
1105 1 16 TRP QB 1 16 TRP HD1 2.570 . 3.340 2.649 2.220 2.788 . 0 0 "[ . 1]" 1
1106 1 16 TRP QB 1 17 GLN H 2.780 . 3.760 2.758 2.498 2.968 . 0 0 "[ . 1]" 1
1107 1 16 TRP QB 1 58 MET ME 2.625 . 3.450 2.300 1.905 3.206 . 0 0 "[ . 1]" 1
1108 1 17 GLN HA 1 17 GLN QG 2.595 . 3.390 2.701 2.416 3.356 . 0 0 "[ . 1]" 1
1109 1 22 PRO QB 1 23 ALA H 2.870 . 3.940 3.372 2.354 3.966 0.026 8 0 "[ . 1]" 1
1110 1 24 SER H 1 24 SER QB 2.745 . 3.690 2.925 2.301 3.427 . 0 0 "[ . 1]" 1
1111 1 25 VAL H 1 25 VAL QG 2.755 . 3.710 2.301 1.891 3.060 . 0 0 "[ . 1]" 1
1112 1 25 VAL H 1 26 ASP QB 3.415 . 5.030 4.286 3.558 4.928 . 0 0 "[ . 1]" 1
1113 1 25 VAL QG 1 26 ASP H 3.085 . 4.370 2.915 2.276 3.664 . 0 0 "[ . 1]" 1
1114 1 26 ASP H 1 26 ASP QB 2.565 . 3.330 2.615 2.347 3.182 . 0 0 "[ . 1]" 1
1115 1 26 ASP QB 1 27 ALA H 2.970 . 4.140 3.468 2.709 3.995 . 0 0 "[ . 1]" 1
1116 1 30 LYS H 1 30 LYS QB 2.595 . 3.390 2.712 2.395 3.412 0.022 8 0 "[ . 1]" 1
1117 1 31 LEU H 1 31 LEU QB 2.585 . 3.370 2.457 2.266 2.613 . 0 0 "[ . 1]" 1
1118 1 31 LEU HA 1 31 LEU QD 2.505 . 3.210 2.077 2.006 2.168 . 0 0 "[ . 1]" 1
1119 1 31 LEU QB 1 32 THR H 2.920 . 4.040 3.166 2.599 3.810 . 0 0 "[ . 1]" 1
1120 1 31 LEU QD 1 32 THR H 2.850 . 3.900 3.297 2.459 3.678 . 0 0 "[ . 1]" 1
1121 1 32 THR HB 1 33 ARG QG 3.570 . 5.340 5.420 5.355 5.501 0.161 8 0 "[ . 1]" 1
1122 1 32 THR MG 1 34 SER QB 3.175 . 4.550 4.153 3.134 4.637 0.087 3 0 "[ . 1]" 1
1123 1 33 ARG H 1 33 ARG QG 2.865 . 3.930 2.662 2.041 3.588 . 0 0 "[ . 1]" 1
1124 1 33 ARG HA 1 33 ARG QG 2.715 . 3.630 2.885 2.164 3.295 . 0 0 "[ . 1]" 1
1125 1 33 ARG HA 1 33 ARG QD 2.645 . 3.490 2.328 1.944 3.494 0.004 10 0 "[ . 1]" 1
1126 1 33 ARG QB 1 34 SER H 2.670 . 3.540 2.746 2.480 2.879 . 0 0 "[ . 1]" 1
1127 1 33 ARG QG 1 34 SER H 3.570 . 5.340 4.383 3.601 4.590 . 0 0 "[ . 1]" 1
1128 1 34 SER H 1 34 SER QB 2.690 . 3.580 3.003 2.845 3.156 . 0 0 "[ . 1]" 1
1129 1 34 SER QB 1 35 LEU H 3.040 . 4.280 2.948 2.535 3.216 . 0 0 "[ . 1]" 1
1130 1 35 LEU HA 1 35 LEU QD 2.500 . 3.200 2.064 1.980 2.223 . 0 0 "[ . 1]" 1
1131 1 35 LEU QD 1 36 PRO QD 2.505 . 3.210 2.696 1.956 3.111 . 0 0 "[ . 1]" 1
1132 1 35 LEU QD 1 83 PHE QB 3.150 . 4.500 3.445 2.440 4.474 . 0 0 "[ . 1]" 1
1133 1 35 LEU QD 1 83 PHE QD 2.860 . 3.920 3.005 2.197 3.557 . 0 0 "[ . 1]" 1
1134 1 35 LEU QD 1 83 PHE QE 2.895 . 3.990 3.073 2.642 3.513 . 0 0 "[ . 1]" 1
1135 1 35 LEU QD 1 83 PHE HZ 3.620 . 5.440 4.198 3.477 4.788 . 0 0 "[ . 1]" 1
1136 1 35 LEU QD 1 87 ASP QB 2.850 . 3.900 2.693 1.883 3.494 . 0 0 "[ . 1]" 1
1137 1 35 LEU QD 1 90 SER QB 2.590 . 3.380 2.007 1.811 2.358 . 0 0 "[ . 1]" 1
1138 1 35 LEU QD 1 91 LEU HA 2.650 . 3.500 2.988 2.718 3.546 0.046 10 0 "[ . 1]" 1
1139 1 35 LEU QD 1 91 LEU HB2 3.310 . 4.820 4.164 3.870 4.568 . 0 0 "[ . 1]" 1
1140 1 35 LEU QD 1 94 LEU HB3 3.350 . 4.900 3.802 3.511 4.125 . 0 0 "[ . 1]" 1
1141 1 35 LEU QD 1 94 LEU QD 2.670 . 3.540 2.218 1.962 2.702 . 0 0 "[ . 1]" 1
1142 1 35 LEU QD 1 95 TYR QE 3.295 . 4.790 4.677 4.126 4.838 0.048 2 0 "[ . 1]" 1
1143 1 37 CYS QB 1 38 GLN H 2.730 . 3.660 2.446 2.311 2.742 . 0 0 "[ . 1]" 1
1144 1 37 CYS QB 1 81 PHE QD 3.030 . 4.260 2.709 2.288 3.084 . 0 0 "[ . 1]" 1
1145 1 37 CYS QB 1 83 PHE HA 2.995 . 4.190 2.628 2.238 3.482 . 0 0 "[ . 1]" 1
1146 1 37 CYS QB 1 83 PHE QD 2.790 . 3.780 2.638 2.086 2.893 . 0 0 "[ . 1]" 1
1147 1 37 CYS QB 1 83 PHE QE 2.800 . 3.800 3.035 2.663 3.320 . 0 0 "[ . 1]" 1
1148 1 38 GLN HA 1 38 GLN QG 2.570 . 3.340 2.804 2.454 3.368 0.028 7 0 "[ . 1]" 1
1149 1 39 VAL H 1 39 VAL QG 2.925 . 4.050 2.535 2.487 2.605 . 0 0 "[ . 1]" 1
1150 1 39 VAL HA 1 81 PHE QB 3.395 . 4.990 4.632 4.561 4.721 . 0 0 "[ . 1]" 1
1151 1 39 VAL QG 1 40 TYR H 2.870 . 3.940 2.709 2.650 2.740 . 0 0 "[ . 1]" 1
1152 1 39 VAL QG 1 52 TRP HZ3 2.910 . 4.020 2.958 2.435 3.246 . 0 0 "[ . 1]" 1
1153 1 39 VAL QG 1 79 VAL HB 3.620 . 5.440 2.365 2.122 2.551 . 0 0 "[ . 1]" 1
1154 1 39 VAL QG 1 81 PHE QE 2.975 . 4.150 2.409 2.335 2.453 . 0 0 "[ . 1]" 1
1155 1 40 TYR HA 1 41 VAL QG 3.250 . 4.700 3.277 3.176 3.406 . 0 0 "[ . 1]" 1
1156 1 40 TYR QB 1 41 VAL H 3.015 . 4.230 2.559 2.498 2.650 . 0 0 "[ . 1]" 1
1157 1 40 TYR QB 1 80 GLN QB 2.660 . 3.520 2.097 1.862 2.339 . 0 0 "[ . 1]" 1
1158 1 40 TYR QD 1 82 HIS QB 3.250 . 4.700 3.783 3.306 4.261 . 0 0 "[ . 1]" 1
1159 1 40 TYR QE 1 82 HIS QB 2.980 . 4.160 2.756 1.923 3.655 . 0 0 "[ . 1]" 1
1160 1 41 VAL H 1 41 VAL QG 2.580 . 3.360 2.094 1.966 2.268 . 0 0 "[ . 1]" 1
1161 1 41 VAL HA 1 45 GLU QG 3.570 . 5.340 4.818 4.292 5.455 0.115 10 0 "[ . 1]" 1
1162 1 41 VAL HB 1 45 GLU QB 2.840 . 3.880 3.168 2.031 3.880 0.000 7 0 "[ . 1]" 1
1163 1 41 VAL HB 1 45 GLU QG 2.935 . 4.070 2.672 2.069 3.702 . 0 0 "[ . 1]" 1
1164 1 41 VAL HB 1 47 LEU QD 3.160 . 4.520 3.937 3.293 4.545 0.025 2 0 "[ . 1]" 1
1165 1 41 VAL QG 1 42 ASN H 2.665 . 3.530 3.362 3.311 3.439 . 0 0 "[ . 1]" 1
1166 1 41 VAL QG 1 45 GLU QB 2.620 . 3.440 2.979 2.399 3.559 0.119 7 0 "[ . 1]" 1
1167 1 41 VAL QG 1 45 GLU QG 2.695 . 3.590 2.243 1.851 3.722 0.132 1 0 "[ . 1]" 1
1168 1 42 ASN H 1 42 ASN QB 2.605 . 3.410 2.428 2.348 2.524 . 0 0 "[ . 1]" 1
1169 1 43 HIS H 1 43 HIS QB 2.645 . 3.490 2.418 1.965 2.660 . 0 0 "[ . 1]" 1
1170 1 43 HIS QB 1 43 HIS HD2 2.500 . 3.200 2.776 2.383 3.030 . 0 0 "[ . 1]" 1
1171 1 45 GLU H 1 45 GLU QB 2.480 . 3.160 2.647 2.260 2.929 . 0 0 "[ . 1]" 1
1172 1 45 GLU H 1 45 GLU QG 2.695 . 3.590 2.665 2.013 3.785 0.195 2 0 "[ . 1]" 1
1173 1 45 GLU HA 1 45 GLU QG 2.670 . 3.540 3.286 2.247 3.542 0.002 9 0 "[ . 1]" 1
1174 1 45 GLU QB 1 47 LEU QD 3.225 . 4.650 2.626 1.929 3.819 . 0 0 "[ . 1]" 1
1175 1 45 GLU QG 1 46 ASN H 3.425 . 5.050 3.927 2.571 4.878 . 0 0 "[ . 1]" 1
1176 1 45 GLU QG 1 47 LEU QD 3.070 . 4.340 2.947 2.080 3.973 . 0 0 "[ . 1]" 1
1177 1 46 ASN HA 1 47 LEU QD 3.060 . 4.320 3.357 3.013 3.660 . 0 0 "[ . 1]" 1
1178 1 47 LEU H 1 47 LEU QB 2.680 . 3.560 3.109 2.756 3.306 . 0 0 "[ . 1]" 1
1179 1 47 LEU H 1 47 LEU QD 3.125 . 4.450 1.971 1.902 2.097 . 0 0 "[ . 1]" 1
1180 1 47 LEU HA 1 47 LEU QD 2.645 . 3.490 3.369 3.182 3.406 . 0 0 "[ . 1]" 1
1181 1 47 LEU QB 1 47 LEU QD 2.230 . 2.660 1.948 1.920 2.071 . 0 0 "[ . 1]" 1
1182 1 47 LEU QB 1 49 THR MG 3.075 . 4.350 3.884 3.085 4.368 0.018 3 0 "[ . 1]" 1
1183 1 47 LEU QB 1 52 TRP HZ2 3.395 . 4.990 4.187 2.623 5.043 0.053 10 0 "[ . 1]" 1
1184 1 47 LEU QD 1 48 LYS H 3.050 . 4.300 3.963 3.741 4.247 . 0 0 "[ . 1]" 1
1185 1 47 LEU QD 1 49 THR MG 2.590 . 3.380 2.509 1.824 3.208 . 0 0 "[ . 1]" 1
1186 1 47 LEU QD 1 52 TRP HE1 2.780 . 3.760 2.755 1.896 3.765 0.005 9 0 "[ . 1]" 1
1187 1 47 LEU QD 1 52 TRP HZ2 2.670 . 3.540 2.123 1.837 2.848 . 0 0 "[ . 1]" 1
1188 1 47 LEU QD 1 52 TRP HH2 2.870 . 3.940 3.298 2.663 3.806 . 0 0 "[ . 1]" 1
1189 1 47 LEU QD 1 77 ARG QD 2.860 . 3.920 2.639 1.892 3.507 . 0 0 "[ . 1]" 1
1190 1 48 LYS H 1 48 LYS QG 3.070 . 4.340 3.023 2.148 4.132 . 0 0 "[ . 1]" 1
1191 1 50 GLU HA 1 50 GLU QB 2.210 . 2.620 2.335 2.176 2.378 . 0 0 "[ . 1]" 1
1192 1 50 GLU HA 1 50 GLU QG 2.700 . 3.600 2.571 2.385 3.312 . 0 0 "[ . 1]" 1
1193 1 51 GLN QB 1 52 TRP H 2.995 . 4.190 3.511 3.071 3.962 . 0 0 "[ . 1]" 1
1194 1 51 GLN QB 1 52 TRP HD1 3.435 . 5.070 3.147 2.472 4.188 . 0 0 "[ . 1]" 1
1195 1 52 TRP QB 1 52 TRP HE3 2.665 . 3.530 2.445 2.358 2.518 . 0 0 "[ . 1]" 1
1196 1 52 TRP HE3 1 56 LEU QD 2.965 . 4.130 2.892 2.513 3.158 . 0 0 "[ . 1]" 1
1197 1 52 TRP HE1 1 116 VAL QG 3.225 . 4.650 3.753 2.870 4.385 . 0 0 "[ . 1]" 1
1198 1 52 TRP HZ3 1 56 LEU QD 3.130 . 4.460 3.113 2.688 3.565 . 0 0 "[ . 1]" 1
1199 1 52 TRP HZ2 1 116 VAL QG 3.620 . 5.440 4.983 3.846 5.525 0.085 5 0 "[ . 1]" 1
1200 1 52 TRP HH2 1 119 LEU QD 3.480 . 5.160 3.617 2.665 5.008 . 0 0 "[ . 1]" 1
1201 1 53 PRO QG 1 56 LEU QD 2.700 . 3.600 2.718 1.972 3.328 . 0 0 "[ . 1]" 1
1202 1 53 PRO QD 1 56 LEU QD 3.000 . 4.200 2.377 2.097 2.765 . 0 0 "[ . 1]" 1
1203 1 53 PRO QD 1 108 PHE QD 2.860 . 3.920 2.574 2.036 3.111 . 0 0 "[ . 1]" 1
1204 1 53 PRO QD 1 108 PHE QE 3.295 . 4.790 4.250 3.557 4.800 0.010 7 0 "[ . 1]" 1
1205 1 54 GLN H 1 54 GLN QB 2.510 . 3.220 2.495 2.019 3.075 . 0 0 "[ . 1]" 1
1206 1 54 GLN H 1 54 GLN QG 2.620 . 3.440 2.616 1.798 3.704 0.264 4 0 "[ . 1]" 1
1207 1 54 GLN HA 1 54 GLN QG 2.470 . 3.140 2.761 2.327 3.272 0.132 8 0 "[ . 1]" 1
1208 1 54 GLN QG 1 55 LYS H 3.570 . 5.340 4.013 2.963 4.819 . 0 0 "[ . 1]" 1
1209 1 55 LYS H 1 55 LYS QB 2.480 . 3.160 2.559 2.479 2.638 . 0 0 "[ . 1]" 1
1210 1 55 LYS H 1 56 LEU QD 3.295 . 4.790 3.843 3.671 4.084 . 0 0 "[ . 1]" 1
1211 1 55 LYS HA 1 55 LYS QG 2.630 . 3.460 2.448 2.358 2.939 . 0 0 "[ . 1]" 1
1212 1 55 LYS HA 1 55 LYS QD 3.105 . 4.410 3.581 2.171 4.235 . 0 0 "[ . 1]" 1
1213 1 55 LYS HA 1 55 LYS QE 3.255 . 4.710 4.261 2.902 4.798 0.088 9 0 "[ . 1]" 1
1214 1 55 LYS QB 1 55 LYS QE 3.005 . 4.210 3.251 1.960 3.819 . 0 0 "[ . 1]" 1
1215 1 55 LYS QE 1 55 LYS QG 2.505 . 3.210 2.258 2.116 2.852 . 0 0 "[ . 1]" 1
1216 1 56 LEU H 1 56 LEU QB 2.645 . 3.490 2.569 2.455 2.611 . 0 0 "[ . 1]" 1
1217 1 56 LEU HA 1 56 LEU QD 2.465 . 3.130 2.062 1.941 2.176 . 0 0 "[ . 1]" 1
1218 1 56 LEU QB 1 57 ILE H 3.025 . 4.250 2.701 2.627 2.751 . 0 0 "[ . 1]" 1
1219 1 56 LEU QB 1 106 VAL QG 2.725 . 3.650 2.032 1.944 2.138 . 0 0 "[ . 1]" 1
1220 1 56 LEU HG 1 106 VAL QG 2.905 . 4.010 4.040 4.020 4.078 0.068 3 0 "[ . 1]" 1
1221 1 56 LEU QD 1 81 PHE QE 2.895 . 3.990 3.724 3.299 4.017 0.027 4 0 "[ . 1]" 1
1222 1 56 LEU QD 1 106 VAL QG 2.365 . 2.930 2.179 2.035 2.313 . 0 0 "[ . 1]" 1
1223 1 56 LEU QD 1 108 PHE QD 2.870 . 3.940 2.092 1.815 2.264 . 0 0 "[ . 1]" 1
1224 1 56 LEU QD 1 108 PHE QE 2.595 . 3.390 2.373 2.125 2.507 . 0 0 "[ . 1]" 1
1225 1 56 LEU QD 1 108 PHE HZ 3.055 . 4.310 3.181 2.945 3.571 . 0 0 "[ . 1]" 1
1226 1 57 ILE QG 1 57 ILE MG 2.195 . 2.590 2.313 2.278 2.365 . 0 0 "[ . 1]" 1
1227 1 58 MET HA 1 106 VAL QG 2.630 . 3.460 2.827 2.396 3.240 . 0 0 "[ . 1]" 1
1228 1 58 MET QB 1 58 MET ME 3.055 . 4.310 2.104 2.004 2.259 . 0 0 "[ . 1]" 1
1229 1 58 MET ME 1 60 LEU QD 2.535 . 3.270 2.293 2.109 2.706 . 0 0 "[ . 1]" 1
1230 1 58 MET ME 1 94 LEU QD 2.525 . 3.250 2.226 1.977 2.832 . 0 0 "[ . 1]" 1
1231 1 58 MET ME 1 121 LEU QD 2.705 . 3.610 2.552 2.037 3.647 0.037 5 0 "[ . 1]" 1
1232 1 59 GLN H 1 59 GLN QB 2.725 . 3.650 2.486 2.358 2.560 . 0 0 "[ . 1]" 1
1233 1 59 GLN H 1 106 VAL QG 3.620 . 5.440 4.046 3.487 4.344 . 0 0 "[ . 1]" 1
1234 1 59 GLN HA 1 59 GLN QG 2.665 . 3.530 2.821 2.430 3.088 . 0 0 "[ . 1]" 1
1235 1 59 GLN QB 1 104 GLY HA3 3.570 . 5.340 4.948 4.720 5.193 . 0 0 "[ . 1]" 1
1236 1 59 GLN QB 1 105 CYS H 2.975 . 4.150 3.725 3.292 4.099 . 0 0 "[ . 1]" 1
1237 1 60 LEU H 1 60 LEU QB 2.650 . 3.500 2.425 2.380 2.479 . 0 0 "[ . 1]" 1
1238 1 60 LEU HA 1 60 LEU QD 2.505 . 3.210 2.144 2.014 2.760 . 0 0 "[ . 1]" 1
1239 1 60 LEU QB 1 97 ILE MG 2.905 . 4.010 2.897 2.454 3.598 . 0 0 "[ . 1]" 1
1240 1 60 LEU QB 1 97 ILE MD 3.430 . 5.060 4.003 3.263 4.854 . 0 0 "[ . 1]" 1
1241 1 60 LEU QB 1 102 PHE QD 3.570 . 5.340 3.843 3.216 4.158 . 0 0 "[ . 1]" 1
1242 1 60 LEU QD 1 94 LEU QD 2.770 . 3.740 2.575 1.971 3.222 . 0 0 "[ . 1]" 1
1243 1 60 LEU QD 1 97 ILE HB 2.950 . 4.100 3.275 2.668 3.950 . 0 0 "[ . 1]" 1
1244 1 60 LEU QD 1 97 ILE MG 2.670 . 3.540 2.111 1.799 2.635 0.001 6 0 "[ . 1]" 1
1245 1 60 LEU QD 1 98 MET QG 2.935 . 4.070 3.072 2.076 3.704 . 0 0 "[ . 1]" 1
1246 1 60 LEU QD 1 98 MET ME 2.870 . 3.940 2.823 2.126 3.974 0.034 2 0 "[ . 1]" 1
1247 1 60 LEU QD 1 102 PHE QB 2.810 . 3.820 3.017 2.620 3.372 . 0 0 "[ . 1]" 1
1248 1 60 LEU QD 1 104 GLY HA3 2.525 . 3.250 2.388 2.079 3.259 0.009 2 0 "[ . 1]" 1
1249 1 60 LEU QD 1 104 GLY HA2 3.080 . 4.360 2.732 2.333 3.639 . 0 0 "[ . 1]" 1
1250 1 60 LEU QD 1 105 CYS H 3.470 . 5.140 3.964 3.740 4.306 . 0 0 "[ . 1]" 1
1251 1 61 ILE H 1 61 ILE QG 2.960 . 4.120 2.133 1.994 2.271 . 0 0 "[ . 1]" 1
1252 1 61 ILE HA 1 62 PRO QD 2.470 . 3.140 2.126 2.056 2.276 . 0 0 "[ . 1]" 1
1253 1 61 ILE HB 1 62 PRO QD 2.620 . 3.440 2.194 2.002 2.270 . 0 0 "[ . 1]" 1
1254 1 61 ILE QG 1 61 ILE MG 2.380 . 2.960 2.335 1.988 2.400 . 0 0 "[ . 1]" 1
1255 1 61 ILE QG 1 103 ALA MB 2.665 . 3.530 2.486 2.259 3.524 . 0 0 "[ . 1]" 1
1256 1 61 ILE QG 1 105 CYS QB 2.905 . 4.010 3.101 2.530 3.435 . 0 0 "[ . 1]" 1
1257 1 61 ILE MD 1 105 CYS QB 2.575 . 3.350 2.285 2.031 2.665 . 0 0 "[ . 1]" 1
1258 1 62 PRO HA 1 63 GLN QB 3.400 . 5.000 4.014 3.943 4.063 . 0 0 "[ . 1]" 1
1259 1 62 PRO HG2 1 65 LEU QD 3.150 . 4.500 2.381 2.045 2.833 . 0 0 "[ . 1]" 1
1260 1 62 PRO HG3 1 65 LEU QD 3.040 . 4.280 3.650 2.719 4.303 0.023 8 0 "[ . 1]" 1
1261 1 62 PRO HG3 1 152 LEU QD 3.355 . 4.910 2.400 1.990 3.085 . 0 0 "[ . 1]" 1
1262 1 62 PRO QD 1 65 LEU QD 2.715 . 3.630 2.756 2.192 3.523 . 0 0 "[ . 1]" 1
1263 1 62 PRO QD 1 102 PHE QD 3.495 . 5.190 3.603 3.380 3.811 . 0 0 "[ . 1]" 1
1264 1 62 PRO QD 1 102 PHE QE 3.105 . 4.410 3.439 2.691 3.815 . 0 0 "[ . 1]" 1
1265 1 62 PRO QD 1 148 VAL QG 2.745 . 3.690 2.308 1.948 2.815 . 0 0 "[ . 1]" 1
1266 1 62 PRO QD 1 152 LEU QB 3.005 . 4.210 2.703 2.012 4.262 0.052 3 0 "[ . 1]" 1
1267 1 62 PRO QD 1 152 LEU QD 2.640 . 3.480 2.000 1.745 2.471 0.055 3 0 "[ . 1]" 1
1268 1 63 GLN H 1 63 GLN QB 2.485 . 3.170 2.209 2.165 2.236 . 0 0 "[ . 1]" 1
1269 1 63 GLN H 1 63 GLN QG 3.005 . 4.210 3.972 3.931 4.050 . 0 0 "[ . 1]" 1
1270 1 63 GLN HA 1 63 GLN QG 2.550 . 3.300 2.501 2.447 2.565 . 0 0 "[ . 1]" 1
1271 1 63 GLN HA 1 66 LEU QB 2.750 . 3.700 2.722 2.357 3.252 . 0 0 "[ . 1]" 1
1272 1 63 GLN HA 1 122 LEU QD 3.215 . 4.630 3.813 3.640 4.216 . 0 0 "[ . 1]" 1
1273 1 63 GLN QB 1 101 GLY QA 3.020 . 4.240 2.857 2.580 3.165 . 0 0 "[ . 1]" 1
1274 1 63 GLN QB 1 103 ALA MB 2.680 . 3.560 2.588 2.327 2.875 . 0 0 "[ . 1]" 1
1275 1 63 GLN QG 1 66 LEU QD 3.070 . 4.340 2.723 2.227 3.323 . 0 0 "[ . 1]" 1
1276 1 63 GLN QG 1 103 ALA MB 2.710 . 3.620 2.681 2.209 2.983 . 0 0 "[ . 1]" 1
1277 1 64 GLN H 1 64 GLN QB 2.625 . 3.450 2.423 2.207 2.585 . 0 0 "[ . 1]" 1
1278 1 65 LEU H 1 65 LEU QB 2.390 . 2.980 2.389 2.239 2.461 . 0 0 "[ . 1]" 1
1279 1 65 LEU H 1 65 LEU QD 2.740 . 3.680 3.035 2.250 3.716 0.036 2 0 "[ . 1]" 1
1280 1 65 LEU HA 1 65 LEU QD 2.255 . 2.710 2.203 2.031 2.735 0.025 6 0 "[ . 1]" 1
1281 1 65 LEU QD 1 151 ASN QB 3.025 . 4.250 2.437 1.928 3.056 . 0 0 "[ . 1]" 1
1282 1 65 LEU QD 1 152 LEU H 3.150 . 4.500 3.927 3.423 4.531 0.031 3 0 "[ . 1]" 1
1283 1 66 LEU H 1 66 LEU QB 2.500 . 3.200 2.212 2.139 2.251 . 0 0 "[ . 1]" 1
1284 1 66 LEU H 1 66 LEU QD 3.015 . 4.230 3.700 3.617 3.748 . 0 0 "[ . 1]" 1
1285 1 66 LEU HA 1 66 LEU QD 2.645 . 3.490 2.390 2.045 3.169 . 0 0 "[ . 1]" 1
1286 1 66 LEU HA 1 69 LEU QD 2.735 . 3.670 2.577 2.012 3.440 . 0 0 "[ . 1]" 1
1287 1 66 LEU QB 1 66 LEU QD 2.330 . 2.860 1.921 1.889 1.938 . 0 0 "[ . 1]" 1
1288 1 66 LEU QB 1 67 THR H 2.945 . 4.090 3.046 2.931 3.143 . 0 0 "[ . 1]" 1
1289 1 66 LEU QB 1 69 LEU QD 3.055 . 4.310 3.984 3.784 4.366 0.056 5 0 "[ . 1]" 1
1290 1 66 LEU QB 1 73 PHE QE 3.570 . 5.340 4.625 4.377 5.212 . 0 0 "[ . 1]" 1
1291 1 66 LEU QD 1 67 THR H 3.200 . 4.600 4.001 3.456 4.265 . 0 0 "[ . 1]" 1
1292 1 66 LEU QD 1 69 LEU QB 2.460 . 3.120 2.598 2.037 3.149 0.029 7 0 "[ . 1]" 1
1293 1 66 LEU QD 1 73 PHE QD 2.920 . 4.040 3.703 3.114 4.049 0.009 2 0 "[ . 1]" 1
1294 1 66 LEU QD 1 73 PHE QE 3.260 . 4.720 2.313 2.113 2.526 . 0 0 "[ . 1]" 1
1295 1 66 LEU QD 1 103 ALA MB 2.730 . 3.660 2.508 2.270 3.177 . 0 0 "[ . 1]" 1
1296 1 66 LEU QD 1 120 MET HG2 3.305 . 4.810 2.327 2.080 3.764 . 0 0 "[ . 1]" 1
1297 1 66 LEU QD 1 120 MET ME 2.435 . 3.070 2.024 1.795 2.540 0.005 9 0 "[ . 1]" 1
1298 1 66 LEU QD 1 122 LEU HB2 3.620 . 5.440 4.997 4.645 5.270 . 0 0 "[ . 1]" 1
1299 1 66 LEU QD 1 122 LEU HB3 3.415 . 5.030 4.878 4.528 5.071 0.041 5 0 "[ . 1]" 1
1300 1 69 LEU H 1 69 LEU QB 2.525 . 3.250 2.362 2.085 2.447 . 0 0 "[ . 1]" 1
1301 1 69 LEU H 1 69 LEU QD 2.685 . 3.570 2.697 2.231 3.511 . 0 0 "[ . 1]" 1
1302 1 69 LEU HA 1 69 LEU QD 2.300 . 2.800 2.271 1.953 2.827 0.027 1 0 "[ . 1]" 1
1303 1 69 LEU HA 1 72 LEU QD 2.855 . 3.910 3.057 2.027 3.937 0.027 3 0 "[ . 1]" 1
1304 1 69 LEU QB 1 73 PHE QD 2.585 . 3.370 3.138 2.512 3.396 0.026 1 0 "[ . 1]" 1
1305 1 69 LEU QB 1 73 PHE QE 2.745 . 3.690 2.165 1.882 2.363 . 0 0 "[ . 1]" 1
1306 1 69 LEU QB 1 141 PHE QD 3.510 . 5.220 3.558 2.844 4.774 . 0 0 "[ . 1]" 1
1307 1 69 LEU QD 1 72 LEU QB 2.935 . 4.070 3.402 2.958 3.649 . 0 0 "[ . 1]" 1
1308 1 69 LEU QD 1 72 LEU HG 3.150 . 4.500 3.692 2.851 4.508 0.008 1 0 "[ . 1]" 1
1309 1 69 LEU QD 1 72 LEU QD 2.320 . 2.840 2.329 1.962 2.600 . 0 0 "[ . 1]" 1
1310 1 69 LEU QD 1 141 PHE HA 2.900 . 4.000 2.642 1.963 3.059 . 0 0 "[ . 1]" 1
1311 1 69 LEU QD 1 141 PHE QD 2.545 . 3.290 2.765 2.455 2.997 . 0 0 "[ . 1]" 1
1312 1 69 LEU QD 1 144 GLY H 3.085 . 4.370 3.596 2.935 4.070 . 0 0 "[ . 1]" 1
1313 1 69 LEU QD 1 144 GLY HA3 3.225 . 4.650 3.456 3.052 3.905 . 0 0 "[ . 1]" 1
1314 1 69 LEU QD 1 144 GLY HA2 2.735 . 3.670 2.265 1.959 2.699 . 0 0 "[ . 1]" 1
1315 1 69 LEU QD 1 145 ILE H 3.140 . 4.480 3.053 2.436 3.482 . 0 0 "[ . 1]" 1
1316 1 69 LEU QD 1 145 ILE HA 3.000 . 4.200 3.358 2.939 3.721 . 0 0 "[ . 1]" 1
1317 1 69 LEU QD 1 148 VAL QG 2.805 . 3.810 2.754 2.217 3.541 . 0 0 "[ . 1]" 1
1318 1 70 GLY H 1 71 PRO QD 2.440 . 3.080 2.502 2.366 2.757 . 0 0 "[ . 1]" 1
1319 1 70 GLY QA 1 71 PRO QD 2.440 . 3.080 2.524 2.460 2.588 . 0 0 "[ . 1]" 1
1320 1 71 PRO HA 1 74 ARG QG 3.000 . 4.200 2.779 2.039 4.223 0.023 6 0 "[ . 1]" 1
1321 1 71 PRO QG 1 72 LEU H 2.715 . 3.630 2.860 2.643 3.690 0.060 7 0 "[ . 1]" 1
1322 1 71 PRO QD 1 72 LEU H 3.060 . 4.320 3.069 2.882 3.296 . 0 0 "[ . 1]" 1
1323 1 72 LEU H 1 72 LEU QB 2.690 . 3.580 2.317 2.201 2.420 . 0 0 "[ . 1]" 1
1324 1 72 LEU H 1 72 LEU QD 2.955 . 4.110 2.903 1.996 3.751 . 0 0 "[ . 1]" 1
1325 1 72 LEU HA 1 72 LEU QD 2.360 . 2.920 2.070 1.998 2.125 . 0 0 "[ . 1]" 1
1326 1 72 LEU QB 1 73 PHE H 2.900 . 4.000 2.696 2.481 2.957 . 0 0 "[ . 1]" 1
1327 1 72 LEU QB 1 141 PHE QD 3.180 . 4.560 2.971 2.014 4.183 . 0 0 "[ . 1]" 1
1328 1 72 LEU QD 1 137 ASP QB 2.870 . 3.940 2.530 1.945 3.708 . 0 0 "[ . 1]" 1
1329 1 72 LEU QD 1 140 GLY QA 2.985 . 4.170 2.896 2.255 3.788 . 0 0 "[ . 1]" 1
1330 1 72 LEU QD 1 141 PHE HA 2.575 . 3.350 2.604 2.233 2.875 . 0 0 "[ . 1]" 1
1331 1 72 LEU QD 1 141 PHE HB3 2.905 . 4.010 3.803 3.428 4.019 0.009 10 0 "[ . 1]" 1
1332 1 72 LEU QD 1 141 PHE QD 2.415 . 3.030 2.447 1.842 3.072 0.042 7 0 "[ . 1]" 1
1333 1 72 LEU QD 1 144 GLY H 3.510 . 5.220 4.570 4.322 5.067 . 0 0 "[ . 1]" 1
1334 1 72 LEU QD 1 144 GLY HA2 3.420 . 5.040 4.372 3.982 4.841 . 0 0 "[ . 1]" 1
1335 1 73 PHE H 1 73 PHE QB 2.705 . 3.610 2.370 2.317 2.444 . 0 0 "[ . 1]" 1
1336 1 73 PHE HA 1 133 LEU QD 3.195 . 4.590 3.370 3.024 3.652 . 0 0 "[ . 1]" 1
1337 1 73 PHE QB 1 74 ARG H 3.020 . 4.240 3.196 3.082 3.257 . 0 0 "[ . 1]" 1
1338 1 73 PHE QB 1 133 LEU QD 2.910 . 4.020 2.489 2.205 2.843 . 0 0 "[ . 1]" 1
1339 1 73 PHE QD 1 133 LEU QD 2.690 . 3.580 2.512 2.125 2.902 . 0 0 "[ . 1]" 1
1340 1 73 PHE QE 1 120 MET QB 2.910 . 4.020 2.122 1.964 2.297 . 0 0 "[ . 1]" 1
1341 1 74 ARG H 1 74 ARG QD 3.310 . 4.820 3.818 3.083 4.556 . 0 0 "[ . 1]" 1
1342 1 74 ARG HA 1 74 ARG QG 2.490 . 3.180 2.700 2.304 3.088 . 0 0 "[ . 1]" 1
1343 1 74 ARG HA 1 74 ARG QD 3.095 . 4.390 3.091 1.966 4.094 . 0 0 "[ . 1]" 1
1344 1 74 ARG QB 1 74 ARG QG 2.110 . 2.420 2.035 1.972 2.084 . 0 0 "[ . 1]" 1
1345 1 74 ARG QB 1 74 ARG QD 2.605 . 3.410 2.363 2.089 2.918 . 0 0 "[ . 1]" 1
1346 1 75 ASN QB 1 136 TYR QE 3.150 . 4.500 3.740 2.253 4.524 0.024 3 0 "[ . 1]" 1
1347 1 76 SER HB2 1 133 LEU QD 3.165 . 4.530 1.964 1.871 2.035 . 0 0 "[ . 1]" 1
1348 1 76 SER HB3 1 133 LEU QD 3.225 . 4.650 3.000 2.616 3.149 . 0 0 "[ . 1]" 1
1349 1 77 ARG H 1 77 ARG QG 2.595 . 3.390 2.219 1.921 2.621 . 0 0 "[ . 1]" 1
1350 1 77 ARG HA 1 77 ARG QG 2.725 . 3.650 3.079 2.423 3.379 . 0 0 "[ . 1]" 1
1351 1 77 ARG HA 1 77 ARG QD 3.190 . 4.580 4.301 4.021 4.595 0.015 4 0 "[ . 1]" 1
1352 1 77 ARG QB 1 77 ARG QD 2.535 . 3.270 2.268 1.999 2.401 . 0 0 "[ . 1]" 1
1353 1 77 ARG QB 1 78 MET H 2.825 . 3.850 2.924 2.650 3.199 . 0 0 "[ . 1]" 1
1354 1 77 ARG QG 1 134 ILE MD 3.230 . 4.660 3.721 2.757 4.728 0.068 8 0 "[ . 1]" 1
1355 1 77 ARG QD 1 134 ILE MG 2.985 . 4.170 3.332 2.420 4.206 0.036 3 0 "[ . 1]" 1
1356 1 78 MET H 1 78 MET QB 2.615 . 3.430 2.192 2.069 2.338 . 0 0 "[ . 1]" 1
1357 1 78 MET HA 1 133 LEU QD 2.775 . 3.750 3.215 3.094 3.332 . 0 0 "[ . 1]" 1
1358 1 78 MET QB 1 79 VAL H 2.925 . 4.050 2.741 2.573 3.027 . 0 0 "[ . 1]" 1
1359 1 78 MET QB 1 79 VAL MG2 3.555 . 5.310 4.512 4.309 4.803 . 0 0 "[ . 1]" 1
1360 1 78 MET HG2 1 133 LEU QD 2.665 . 3.530 2.585 2.136 3.544 0.014 5 0 "[ . 1]" 1
1361 1 78 MET HG3 1 133 LEU QD 3.055 . 4.310 3.511 3.163 4.196 . 0 0 "[ . 1]" 1
1362 1 78 MET ME 1 133 LEU QD 2.635 . 3.470 2.573 1.898 3.525 0.055 6 0 "[ . 1]" 1
1363 1 79 VAL MG2 1 119 LEU QD 2.755 . 3.710 2.002 1.783 2.577 0.017 1 0 "[ . 1]" 1
1364 1 79 VAL MG2 1 121 LEU QD 3.530 . 5.260 3.447 3.103 4.134 . 0 0 "[ . 1]" 1
1365 1 80 GLN HA 1 80 GLN QG 2.625 . 3.450 2.510 2.395 3.030 . 0 0 "[ . 1]" 1
1366 1 81 PHE H 1 81 PHE QB 2.710 . 3.620 2.331 2.231 2.428 . 0 0 "[ . 1]" 1
1367 1 81 PHE H 1 130 PHE QB 3.120 . 4.440 3.103 2.757 3.531 . 0 0 "[ . 1]" 1
1368 1 81 PHE QB 1 121 LEU QD 2.535 . 3.270 2.182 1.924 2.489 . 0 0 "[ . 1]" 1
1369 1 81 PHE QB 1 130 PHE QB 3.225 . 4.650 1.837 1.772 1.955 0.028 1 0 "[ . 1]" 1
1370 1 81 PHE QD 1 119 LEU QD 3.370 . 4.940 3.588 3.379 3.916 . 0 0 "[ . 1]" 1
1371 1 81 PHE QD 1 121 LEU QD 2.325 . 2.850 2.584 2.445 2.731 . 0 0 "[ . 1]" 1
1372 1 81 PHE QE 1 106 VAL QG 3.360 . 4.920 3.628 3.397 3.878 . 0 0 "[ . 1]" 1
1373 1 81 PHE QE 1 119 LEU QD 3.070 . 4.340 2.156 1.797 2.514 0.003 4 0 "[ . 1]" 1
1374 1 82 HIS QB 1 82 HIS HD2 2.515 . 3.230 2.875 2.711 3.188 . 0 0 "[ . 1]" 1
1375 1 83 PHE HA 1 91 LEU QD 3.620 . 5.440 4.261 3.923 4.963 . 0 0 "[ . 1]" 1
1376 1 83 PHE QB 1 91 LEU QD 2.720 . 3.640 2.118 1.829 2.941 . 0 0 "[ . 1]" 1
1377 1 83 PHE QD 1 91 LEU QD 2.890 . 3.980 2.615 2.222 2.952 . 0 0 "[ . 1]" 1
1378 1 83 PHE QD 1 94 LEU QD 3.390 . 4.980 4.028 3.276 5.029 0.049 2 0 "[ . 1]" 1
1379 1 83 PHE QE 1 91 LEU QD 2.745 . 3.690 3.609 2.984 3.773 0.083 9 0 "[ . 1]" 1
1380 1 83 PHE QE 1 94 LEU QD 3.210 . 4.620 3.186 2.273 3.997 . 0 0 "[ . 1]" 1
1381 1 83 PHE HZ 1 94 LEU QD 3.025 . 4.250 3.257 2.833 3.777 . 0 0 "[ . 1]" 1
1382 1 83 PHE HZ 1 121 LEU QD 2.640 . 3.480 2.488 2.011 3.022 . 0 0 "[ . 1]" 1
1383 1 85 ASN HA 1 85 ASN QB 2.155 . 2.510 2.281 2.155 2.403 . 0 0 "[ . 1]" 1
1384 1 85 ASN QB 1 88 LEU HG 2.840 . 3.880 3.509 2.626 3.893 0.013 7 0 "[ . 1]" 1
1385 1 85 ASN QB 1 88 LEU MD1 3.095 . 4.390 3.704 2.930 4.494 0.104 2 0 "[ . 1]" 1
1386 1 85 ASN QB 1 88 LEU MD2 2.795 . 3.790 2.523 1.971 3.917 0.127 10 0 "[ . 1]" 1
1387 1 86 LYS H 1 86 LYS QB 2.710 . 3.620 2.309 2.139 2.500 . 0 0 "[ . 1]" 1
1388 1 86 LYS HA 1 86 LYS QG 2.610 . 3.420 2.705 2.352 3.193 . 0 0 "[ . 1]" 1
1389 1 86 LYS HA 1 86 LYS QE 2.820 . 3.840 3.392 1.829 3.912 0.072 9 0 "[ . 1]" 1
1390 1 86 LYS QB 1 86 LYS QE 3.095 . 4.390 2.590 1.904 3.838 . 0 0 "[ . 1]" 1
1391 1 86 LYS QB 1 87 ASP H 2.700 . 3.600 2.671 2.226 3.378 . 0 0 "[ . 1]" 1
1392 1 86 LYS QE 1 86 LYS QG 2.490 . 3.180 2.407 2.104 2.710 . 0 0 "[ . 1]" 1
1393 1 87 ASP H 1 87 ASP QB 2.690 . 3.580 2.606 2.448 2.832 . 0 0 "[ . 1]" 1
1394 1 87 ASP QB 1 90 SER HA 3.535 . 5.270 5.106 4.339 5.307 0.037 9 0 "[ . 1]" 1
1395 1 87 ASP QB 1 90 SER QB 3.005 . 4.210 2.667 2.503 2.785 . 0 0 "[ . 1]" 1
1396 1 89 GLU HA 1 89 GLU QG 2.510 . 3.220 2.917 2.341 3.369 0.149 6 0 "[ . 1]" 1
1397 1 90 SER QB 1 91 LEU H 2.950 . 4.100 2.583 2.457 2.703 . 0 0 "[ . 1]" 1
1398 1 91 LEU HA 1 91 LEU QD 2.430 . 3.060 2.061 1.932 2.738 . 0 0 "[ . 1]" 1
1399 1 91 LEU HA 1 94 LEU QD 3.135 . 4.470 3.298 2.909 3.527 . 0 0 "[ . 1]" 1
1400 1 91 LEU QD 1 94 LEU QD 2.930 . 4.060 2.665 1.980 3.226 . 0 0 "[ . 1]" 1
1401 1 91 LEU QD 1 95 TYR QD 2.910 . 4.020 3.333 2.656 3.768 . 0 0 "[ . 1]" 1
1402 1 91 LEU QD 1 95 TYR QE 2.735 . 3.670 2.059 1.909 2.338 . 0 0 "[ . 1]" 1
1403 1 91 LEU QD 1 130 PHE HZ 3.400 . 5.000 3.596 2.684 3.959 . 0 0 "[ . 1]" 1
1404 1 92 LYS HA 1 92 LYS QG 2.600 . 3.400 2.507 2.439 2.597 . 0 0 "[ . 1]" 1
1405 1 92 LYS HA 1 92 LYS QD 3.100 . 4.400 4.082 3.887 4.260 . 0 0 "[ . 1]" 1
1406 1 92 LYS HB2 1 92 LYS QD 2.455 . 3.110 2.498 2.278 2.966 . 0 0 "[ . 1]" 1
1407 1 92 LYS HB3 1 92 LYS QD 2.450 . 3.100 2.600 2.299 3.064 . 0 0 "[ . 1]" 1
1408 1 92 LYS HB3 1 93 GLY QA 2.930 . 4.060 3.899 3.785 4.038 . 0 0 "[ . 1]" 1
1409 1 92 LYS QD 1 92 LYS QG 2.060 . 2.320 2.046 2.007 2.091 . 0 0 "[ . 1]" 1
1410 1 92 LYS QE 1 92 LYS QG 2.525 . 3.250 2.359 2.132 2.795 . 0 0 "[ . 1]" 1
1411 1 94 LEU H 1 94 LEU QD 3.070 . 4.340 3.712 3.652 3.796 . 0 0 "[ . 1]" 1
1412 1 94 LEU HA 1 94 LEU QD 2.600 . 3.400 2.433 2.094 3.073 . 0 0 "[ . 1]" 1
1413 1 94 LEU QD 1 95 TYR QE 3.185 . 4.570 3.779 3.247 4.397 . 0 0 "[ . 1]" 1
1414 1 94 LEU QD 1 97 ILE HB 3.180 . 4.560 3.207 2.546 3.990 . 0 0 "[ . 1]" 1
1415 1 94 LEU QD 1 97 ILE MG 3.020 . 4.240 3.796 3.170 4.283 0.043 1 0 "[ . 1]" 1
1416 1 94 LEU QD 1 97 ILE MD 3.030 . 4.260 3.550 2.771 4.274 0.014 9 0 "[ . 1]" 1
1417 1 94 LEU QD 1 98 MET H 3.620 . 5.440 3.454 3.231 3.661 . 0 0 "[ . 1]" 1
1418 1 94 LEU QD 1 98 MET QG 2.740 . 3.680 2.235 1.917 2.630 . 0 0 "[ . 1]" 1
1419 1 94 LEU QD 1 98 MET ME 2.710 . 3.620 2.926 2.170 3.647 0.027 8 0 "[ . 1]" 1
1420 1 94 LEU QD 1 121 LEU QD 2.945 . 4.090 3.385 2.920 3.743 . 0 0 "[ . 1]" 1
1421 1 94 LEU QD 1 130 PHE HZ 3.385 . 4.970 2.564 2.246 3.003 . 0 0 "[ . 1]" 1
1422 1 95 TYR H 1 95 TYR QB 2.595 . 3.390 2.332 2.247 2.449 . 0 0 "[ . 1]" 1
1423 1 95 TYR QB 1 96 ARG H 2.815 . 3.830 2.600 2.435 2.692 . 0 0 "[ . 1]" 1
1424 1 96 ARG H 1 96 ARG QB 2.520 . 3.240 2.311 2.158 2.620 . 0 0 "[ . 1]" 1
1425 1 96 ARG QB 1 97 ILE H 2.770 . 3.740 2.559 2.352 2.767 . 0 0 "[ . 1]" 1
1426 1 97 ILE HA 1 100 ASN QB 2.670 . 3.540 2.709 2.528 3.014 . 0 0 "[ . 1]" 1
1427 1 97 ILE MG 1 98 MET QB 3.570 . 5.340 4.515 4.163 4.730 . 0 0 "[ . 1]" 1
1428 1 97 ILE MG 1 98 MET QG 2.880 . 3.960 3.515 2.731 3.969 0.009 3 0 "[ . 1]" 1
1429 1 97 ILE MG 1 102 PHE QB 2.690 . 3.580 2.095 1.958 2.255 . 0 0 "[ . 1]" 1
1430 1 97 ILE MD 1 98 MET QG 3.570 . 5.340 4.767 4.322 5.059 . 0 0 "[ . 1]" 1
1431 1 98 MET H 1 98 MET QG 2.830 . 3.860 2.469 2.107 2.701 . 0 0 "[ . 1]" 1
1432 1 98 MET HA 1 98 MET QG 2.765 . 3.730 2.634 2.342 2.936 . 0 0 "[ . 1]" 1
1433 1 98 MET ME 1 98 MET QG 2.650 . 3.500 2.314 2.233 2.414 . 0 0 "[ . 1]" 1
1434 1 98 MET ME 1 102 PHE QB 3.570 . 5.340 4.395 4.113 4.609 . 0 0 "[ . 1]" 1
1435 1 98 MET ME 1 121 LEU QB 2.870 . 3.940 3.015 2.216 3.392 . 0 0 "[ . 1]" 1
1436 1 98 MET ME 1 121 LEU QD 2.455 . 3.110 2.793 1.763 3.139 0.037 1 0 "[ . 1]" 1
1437 1 98 MET ME 1 123 TYR QB 2.980 . 4.160 2.952 2.427 3.441 . 0 0 "[ . 1]" 1
1438 1 98 MET ME 1 130 PHE QB 3.570 . 5.340 4.286 4.027 4.722 . 0 0 "[ . 1]" 1
1439 1 99 GLY QA 1 123 TYR QE 2.855 . 3.910 3.753 3.281 3.983 0.073 6 0 "[ . 1]" 1
1440 1 100 ASN H 1 100 ASN QB 2.590 . 3.380 2.296 2.231 2.404 . 0 0 "[ . 1]" 1
1441 1 100 ASN QB 1 102 PHE QE 3.015 . 4.230 3.055 2.501 3.533 . 0 0 "[ . 1]" 1
1442 1 102 PHE H 1 102 PHE QB 2.620 . 3.440 2.466 2.399 2.548 . 0 0 "[ . 1]" 1
1443 1 102 PHE QB 1 103 ALA H 3.055 . 4.310 2.502 2.352 2.823 . 0 0 "[ . 1]" 1
1444 1 103 ALA HA 1 122 LEU QD 2.790 . 3.780 2.579 2.379 2.774 . 0 0 "[ . 1]" 1
1445 1 103 ALA MB 1 105 CYS QB 3.390 . 4.980 4.471 4.261 4.667 . 0 0 "[ . 1]" 1
1446 1 103 ALA MB 1 122 LEU QD 2.310 . 2.820 2.017 1.991 2.038 . 0 0 "[ . 1]" 1
1447 1 104 GLY HA3 1 121 LEU QB 3.415 . 5.030 4.371 3.991 4.641 . 0 0 "[ . 1]" 1
1448 1 104 GLY HA2 1 121 LEU QB 3.080 . 4.360 2.883 2.496 3.117 . 0 0 "[ . 1]" 1
1449 1 105 CYS H 1 105 CYS QB 2.745 . 3.690 2.515 2.319 2.812 . 0 0 "[ . 1]" 1
1450 1 105 CYS H 1 106 VAL QG 3.620 . 5.440 4.422 4.319 4.610 . 0 0 "[ . 1]" 1
1451 1 105 CYS HA 1 119 LEU QD 3.620 . 5.440 4.841 4.236 5.454 0.014 1 0 "[ . 1]" 1
1452 1 105 CYS QB 1 120 MET ME 2.775 . 3.750 2.406 2.090 3.004 . 0 0 "[ . 1]" 1
1453 1 105 CYS QB 1 145 ILE MD 2.940 . 4.080 2.817 2.542 3.080 . 0 0 "[ . 1]" 1
1454 1 106 VAL H 1 106 VAL QG 2.750 . 3.700 2.449 2.360 2.521 . 0 0 "[ . 1]" 1
1455 1 106 VAL HA 1 106 VAL QG 2.410 . 3.020 2.146 2.127 2.166 . 0 0 "[ . 1]" 1
1456 1 106 VAL QG 1 107 HIS H 2.815 . 3.830 2.760 2.688 2.818 . 0 0 "[ . 1]" 1
1457 1 106 VAL QG 1 107 HIS HA 3.140 . 4.480 3.662 3.569 3.746 . 0 0 "[ . 1]" 1
1458 1 106 VAL QG 1 108 PHE QD 2.790 . 3.780 3.679 3.318 3.851 0.071 8 0 "[ . 1]" 1
1459 1 106 VAL QG 1 108 PHE QE 2.915 . 4.030 3.460 3.034 3.640 . 0 0 "[ . 1]" 1
1460 1 107 HIS H 1 107 HIS QB 2.740 . 3.680 2.434 2.405 2.480 . 0 0 "[ . 1]" 1
1461 1 107 HIS HA 1 118 VAL QG 2.715 . 3.630 2.585 2.190 2.840 . 0 0 "[ . 1]" 1
1462 1 107 HIS QB 1 107 HIS HD2 2.530 . 3.260 2.754 2.622 2.932 . 0 0 "[ . 1]" 1
1463 1 107 HIS QB 1 118 VAL QG 3.095 . 4.390 3.584 3.350 3.758 . 0 0 "[ . 1]" 1
1464 1 107 HIS HD2 1 118 VAL QG 2.790 . 3.780 2.337 1.944 3.072 . 0 0 "[ . 1]" 1
1465 1 107 HIS HE1 1 118 VAL QG 3.275 . 4.750 4.694 4.419 4.792 0.042 4 0 "[ . 1]" 1
1466 1 107 HIS HE1 1 149 ILE QG 3.320 . 4.840 4.591 4.242 4.869 0.029 8 0 "[ . 1]" 1
1467 1 108 PHE H 1 108 PHE QB 2.720 . 3.640 2.404 2.383 2.443 . 0 0 "[ . 1]" 1
1468 1 108 PHE QD 1 116 VAL QG 2.915 . 4.030 2.770 2.326 3.210 . 0 0 "[ . 1]" 1
1469 1 108 PHE QD 1 118 VAL QG 3.025 . 4.250 2.720 2.388 3.281 . 0 0 "[ . 1]" 1
1470 1 108 PHE QE 1 116 VAL QG 3.240 . 4.680 3.741 3.126 4.284 . 0 0 "[ . 1]" 1
1471 1 108 PHE QE 1 119 LEU QB 3.070 . 4.340 2.362 1.901 2.799 . 0 0 "[ . 1]" 1
1472 1 108 PHE QE 1 119 LEU QD 2.965 . 4.130 3.356 2.758 4.011 . 0 0 "[ . 1]" 1
1473 1 108 PHE HZ 1 119 LEU QD 3.245 . 4.690 2.828 1.882 4.003 . 0 0 "[ . 1]" 1
1474 1 112 ALA HA 1 113 PRO QG 3.160 . 4.520 3.957 3.806 4.088 . 0 0 "[ . 1]" 1
1475 1 112 ALA HA 1 113 PRO QD 2.350 . 2.900 2.050 1.919 2.215 . 0 0 "[ . 1]" 1
1476 1 112 ALA MB 1 113 PRO QD 2.480 . 3.160 2.590 2.033 3.119 . 0 0 "[ . 1]" 1
1477 1 115 GLU QB 1 116 VAL H 2.980 . 4.160 3.683 3.234 3.961 . 0 0 "[ . 1]" 1
1478 1 116 VAL H 1 116 VAL QG 2.755 . 3.710 2.324 2.087 2.862 . 0 0 "[ . 1]" 1
1479 1 116 VAL HA 1 116 VAL QG 2.475 . 3.150 2.198 2.119 2.302 . 0 0 "[ . 1]" 1
1480 1 118 VAL H 1 118 VAL QG 2.640 . 3.480 2.242 2.066 2.399 . 0 0 "[ . 1]" 1
1481 1 118 VAL HA 1 119 LEU QB 3.385 . 4.970 3.688 3.558 4.050 . 0 0 "[ . 1]" 1
1482 1 118 VAL QG 1 119 LEU H 2.820 . 3.840 3.144 3.073 3.234 . 0 0 "[ . 1]" 1
1483 1 118 VAL QG 1 119 LEU HA 3.260 . 4.720 3.963 3.664 4.131 . 0 0 "[ . 1]" 1
1484 1 118 VAL QG 1 138 GLN HA 3.000 . 4.200 2.078 1.948 2.203 . 0 0 "[ . 1]" 1
1485 1 118 VAL QG 1 141 PHE HB2 3.105 . 4.410 3.211 2.824 3.558 . 0 0 "[ . 1]" 1
1486 1 118 VAL QG 1 141 PHE HB3 2.940 . 4.080 2.222 1.999 2.470 . 0 0 "[ . 1]" 1
1487 1 118 VAL QG 1 141 PHE QD 2.370 . 2.940 2.023 1.924 2.147 . 0 0 "[ . 1]" 1
1488 1 118 VAL QG 1 142 VAL HA 3.490 . 5.180 3.813 3.501 4.130 . 0 0 "[ . 1]" 1
1489 1 118 VAL QG 1 142 VAL HB 3.620 . 5.440 4.133 3.954 4.309 . 0 0 "[ . 1]" 1
1490 1 118 VAL QG 1 142 VAL MG2 2.390 . 2.980 2.049 1.894 2.240 . 0 0 "[ . 1]" 1
1491 1 119 LEU H 1 119 LEU QB 2.585 . 3.370 2.580 2.325 3.085 . 0 0 "[ . 1]" 1
1492 1 119 LEU HA 1 119 LEU QD 2.920 . 4.040 2.680 2.217 3.395 . 0 0 "[ . 1]" 1
1493 1 119 LEU QB 1 120 MET H 2.780 . 3.760 3.431 2.700 3.670 . 0 0 "[ . 1]" 1
1494 1 119 LEU QB 1 134 ILE HA 2.875 . 3.950 3.118 2.568 3.491 . 0 0 "[ . 1]" 1
1495 1 119 LEU QB 1 134 ILE HB 3.015 . 4.230 3.522 2.190 4.443 0.213 3 0 "[ . 1]" 1
1496 1 119 LEU QB 1 134 ILE MG 2.730 . 3.660 3.182 2.689 3.737 0.077 4 0 "[ . 1]" 1
1497 1 119 LEU QB 1 134 ILE MD 2.535 . 3.270 2.598 2.321 3.221 . 0 0 "[ . 1]" 1
1498 1 119 LEU QD 1 120 MET H 2.965 . 4.130 2.193 1.843 3.054 . 0 0 "[ . 1]" 1
1499 1 119 LEU QD 1 120 MET HA 3.280 . 4.760 3.470 2.798 4.043 . 0 0 "[ . 1]" 1
1500 1 119 LEU QD 1 121 LEU HA 3.140 . 4.480 3.267 2.816 3.975 . 0 0 "[ . 1]" 1
1501 1 119 LEU QD 1 121 LEU QD 3.245 . 4.690 2.876 2.114 4.026 . 0 0 "[ . 1]" 1
1502 1 119 LEU QD 1 132 GLY HA2 3.355 . 4.910 2.728 2.073 3.924 . 0 0 "[ . 1]" 1
1503 1 119 LEU QD 1 134 ILE HA 3.280 . 4.760 3.151 2.497 4.012 . 0 0 "[ . 1]" 1
1504 1 119 LEU QD 1 134 ILE MD 2.960 . 4.120 2.757 2.216 4.060 . 0 0 "[ . 1]" 1
1505 1 120 MET H 1 120 MET QB 2.725 . 3.650 2.372 2.315 2.559 . 0 0 "[ . 1]" 1
1506 1 120 MET QB 1 121 LEU H 3.010 . 4.220 3.745 3.585 3.880 . 0 0 "[ . 1]" 1
1507 1 120 MET HG3 1 122 LEU QD 3.460 . 5.120 2.895 2.619 3.702 . 0 0 "[ . 1]" 1
1508 1 120 MET ME 1 122 LEU QD 2.815 . 3.830 3.841 3.672 3.884 0.054 4 0 "[ . 1]" 1
1509 1 121 LEU H 1 121 LEU QD 3.335 . 4.870 3.828 3.748 3.904 . 0 0 "[ . 1]" 1
1510 1 121 LEU HA 1 121 LEU QD 2.545 . 3.290 2.107 2.028 2.334 . 0 0 "[ . 1]" 1
1511 1 121 LEU QB 1 122 LEU H 2.995 . 4.190 3.737 3.659 3.837 . 0 0 "[ . 1]" 1
1512 1 121 LEU QD 1 122 LEU H 2.970 . 4.140 2.366 2.120 2.497 . 0 0 "[ . 1]" 1
1513 1 121 LEU QD 1 130 PHE QB 2.705 . 3.610 1.821 1.787 1.873 0.013 1 0 "[ . 1]" 1
1514 1 121 LEU QD 1 130 PHE QE 3.315 . 4.830 3.584 3.256 3.852 . 0 0 "[ . 1]" 1
1515 1 121 LEU QD 1 132 GLY HA3 3.490 . 5.180 4.055 3.496 4.659 . 0 0 "[ . 1]" 1
1516 1 121 LEU QD 1 132 GLY HA2 3.120 . 4.440 3.327 2.812 4.002 . 0 0 "[ . 1]" 1
1517 1 122 LEU HA 1 122 LEU QD 2.545 . 3.290 2.089 2.042 2.131 . 0 0 "[ . 1]" 1
1518 1 122 LEU HB2 1 131 MET QB 3.165 . 4.530 4.132 3.516 4.544 0.014 4 0 "[ . 1]" 1
1519 1 122 LEU HB2 1 131 MET QG 3.570 . 5.340 3.564 2.180 5.298 . 0 0 "[ . 1]" 1
1520 1 122 LEU HB3 1 131 MET QB 3.570 . 5.340 5.088 4.426 5.426 0.086 4 0 "[ . 1]" 1
1521 1 122 LEU QD 1 123 TYR H 2.970 . 4.140 3.258 3.105 3.405 . 0 0 "[ . 1]" 1
1522 1 122 LEU QD 1 131 MET QB 3.540 . 5.280 4.634 4.194 4.926 . 0 0 "[ . 1]" 1
1523 1 123 TYR H 1 123 TYR QB 2.635 . 3.470 2.288 2.184 2.381 . 0 0 "[ . 1]" 1
1524 1 123 TYR QB 1 124 SER H 3.095 . 4.390 3.793 3.754 3.851 . 0 0 "[ . 1]" 1
1525 1 123 TYR QB 1 130 PHE QE 3.365 . 4.930 2.626 2.447 2.999 . 0 0 "[ . 1]" 1
1526 1 123 TYR QE 1 125 SER QB 2.965 . 4.130 3.108 2.447 3.697 . 0 0 "[ . 1]" 1
1527 1 123 TYR QE 1 128 LYS QB 3.245 . 4.690 4.159 3.555 4.715 0.025 9 0 "[ . 1]" 1
1528 1 123 TYR QE 1 128 LYS QD 3.320 . 4.840 3.931 2.917 4.905 0.065 2 0 "[ . 1]" 1
1529 1 124 SER H 1 124 SER QB 2.690 . 3.580 2.524 2.300 2.921 . 0 0 "[ . 1]" 1
1530 1 124 SER QB 1 127 LYS QB 3.015 . 4.230 2.728 2.089 3.270 . 0 0 "[ . 1]" 1
1531 1 124 SER QB 1 127 LYS QG 3.150 . 4.500 3.345 2.538 4.049 . 0 0 "[ . 1]" 1
1532 1 124 SER QB 1 129 ILE MD 2.885 . 3.970 2.774 2.264 3.792 . 0 0 "[ . 1]" 1
1533 1 124 SER QB 1 131 MET QB 3.215 . 4.630 3.476 3.048 3.974 . 0 0 "[ . 1]" 1
1534 1 127 LYS H 1 127 LYS QG 3.010 . 4.220 2.669 2.302 3.558 . 0 0 "[ . 1]" 1
1535 1 127 LYS HA 1 127 LYS QG 2.495 . 3.190 2.699 2.378 3.118 . 0 0 "[ . 1]" 1
1536 1 127 LYS QB 1 127 LYS QE 3.055 . 4.310 3.438 2.015 3.889 . 0 0 "[ . 1]" 1
1537 1 127 LYS QB 1 129 ILE H 3.010 . 4.220 2.959 2.779 3.366 . 0 0 "[ . 1]" 1
1538 1 128 LYS H 1 128 LYS QD 2.760 . 3.720 3.212 2.282 3.846 0.126 7 0 "[ . 1]" 1
1539 1 128 LYS HA 1 128 LYS QD 2.495 . 3.190 2.293 1.920 3.358 0.168 7 0 "[ . 1]" 1
1540 1 128 LYS HA 1 128 LYS QE 3.460 . 5.120 4.153 3.926 5.147 0.027 7 0 "[ . 1]" 1
1541 1 128 LYS QB 1 128 LYS QD 2.360 . 2.920 2.358 2.143 2.702 . 0 0 "[ . 1]" 1
1542 1 128 LYS QB 1 128 LYS QE 2.945 . 4.090 3.533 2.152 3.862 . 0 0 "[ . 1]" 1
1543 1 129 ILE H 1 129 ILE QG 2.760 . 3.720 2.577 2.493 2.646 . 0 0 "[ . 1]" 1
1544 1 131 MET H 1 131 MET QB 2.675 . 3.550 2.835 2.524 3.244 . 0 0 "[ . 1]" 1
1545 1 131 MET H 1 131 MET QG 3.305 . 4.810 2.911 2.141 4.294 . 0 0 "[ . 1]" 1
1546 1 131 MET QG 1 132 GLY H 3.225 . 4.650 3.448 2.366 4.346 . 0 0 "[ . 1]" 1
1547 1 133 LEU H 1 133 LEU QD 3.175 . 4.550 2.723 2.519 2.863 . 0 0 "[ . 1]" 1
1548 1 133 LEU HA 1 133 LEU QD 2.635 . 3.470 2.800 2.643 2.973 . 0 0 "[ . 1]" 1
1549 1 134 ILE HA 1 135 PRO QD 2.645 . 3.490 2.010 1.928 2.114 . 0 0 "[ . 1]" 1
1550 1 135 PRO QB 1 136 TYR H 2.940 . 4.080 3.141 3.053 3.233 . 0 0 "[ . 1]" 1
1551 1 135 PRO QG 1 141 PHE HB2 3.090 . 4.380 3.392 3.116 3.659 . 0 0 "[ . 1]" 1
1552 1 135 PRO QG 1 141 PHE HB3 3.360 . 4.920 4.109 3.813 4.593 . 0 0 "[ . 1]" 1
1553 1 136 TYR QB 1 137 ASP H 2.995 . 4.190 2.521 2.402 2.934 . 0 0 "[ . 1]" 1
1554 1 137 ASP H 1 137 ASP QB 2.550 . 3.300 2.348 2.251 2.435 . 0 0 "[ . 1]" 1
1555 1 138 GLN H 1 138 GLN QB 2.610 . 3.420 2.639 2.418 2.910 . 0 0 "[ . 1]" 1
1556 1 138 GLN H 1 138 GLN QG 2.680 . 3.560 2.056 1.929 2.253 . 0 0 "[ . 1]" 1
1557 1 138 GLN HA 1 138 GLN QG 2.680 . 3.560 3.402 3.346 3.497 . 0 0 "[ . 1]" 1
1558 1 138 GLN QB 1 139 SER H 3.070 . 4.340 3.533 3.402 3.680 . 0 0 "[ . 1]" 1
1559 1 138 GLN QG 1 139 SER H 3.000 . 4.200 2.624 2.179 3.566 . 0 0 "[ . 1]" 1
1560 1 139 SER H 1 139 SER QB 2.690 . 3.580 2.497 2.237 2.727 . 0 0 "[ . 1]" 1
1561 1 141 PHE QD 1 145 ILE QG 2.810 . 3.820 2.917 2.763 3.206 . 0 0 "[ . 1]" 1
1562 1 143 ASN H 1 143 ASN QB 2.480 . 3.160 2.263 2.226 2.293 . 0 0 "[ . 1]" 1
1563 1 143 ASN HA 1 146 ARG QB 2.700 . 3.600 2.807 2.494 3.092 . 0 0 "[ . 1]" 1
1564 1 143 ASN QB 1 144 GLY H 2.855 . 3.910 2.547 2.399 2.744 . 0 0 "[ . 1]" 1
1565 1 144 GLY HA3 1 147 GLN QB 2.935 . 4.070 3.285 2.792 3.874 . 0 0 "[ . 1]" 1
1566 1 144 GLY HA2 1 147 GLN QB 3.570 . 5.340 4.532 4.174 5.046 . 0 0 "[ . 1]" 1
1567 1 145 ILE H 1 145 ILE QG 2.885 . 3.970 2.251 2.176 2.337 . 0 0 "[ . 1]" 1
1568 1 145 ILE HA 1 148 VAL QG 2.835 . 3.870 2.348 2.192 2.450 . 0 0 "[ . 1]" 1
1569 1 145 ILE QG 1 145 ILE MG 2.515 . 3.230 2.274 2.254 2.287 . 0 0 "[ . 1]" 1
1570 1 145 ILE MG 1 149 ILE QG 2.920 . 4.040 2.183 1.988 2.302 . 0 0 "[ . 1]" 1
1571 1 145 ILE MD 1 148 VAL QG 2.430 . 3.060 2.486 2.226 2.741 . 0 0 "[ . 1]" 1
1572 1 146 ARG H 1 146 ARG QB 2.460 . 3.120 2.298 2.213 2.404 . 0 0 "[ . 1]" 1
1573 1 146 ARG HA 1 146 ARG QG 2.490 . 3.180 2.499 2.335 2.990 . 0 0 "[ . 1]" 1
1574 1 146 ARG HA 1 146 ARG QD 2.940 . 4.080 3.776 1.990 4.181 0.101 7 0 "[ . 1]" 1
1575 1 146 ARG QB 1 146 ARG QD 2.420 . 3.040 2.231 2.095 2.401 . 0 0 "[ . 1]" 1
1576 1 146 ARG QB 1 147 GLN H 3.095 . 4.390 2.570 2.463 2.687 . 0 0 "[ . 1]" 1
1577 1 147 GLN HA 1 147 GLN QG 2.495 . 3.190 2.493 2.339 2.601 . 0 0 "[ . 1]" 1
1578 1 148 VAL H 1 148 VAL QG 2.565 . 3.330 2.042 1.974 2.144 . 0 0 "[ . 1]" 1
1579 1 148 VAL HA 1 148 VAL QG 2.400 . 3.000 2.153 2.137 2.167 . 0 0 "[ . 1]" 1
1580 1 148 VAL HA 1 151 ASN QB 2.795 . 3.790 2.708 2.452 2.927 . 0 0 "[ . 1]" 1
1581 1 148 VAL HB 1 149 ILE QG 3.125 . 4.450 3.281 3.118 3.676 . 0 0 "[ . 1]" 1
1582 1 148 VAL QG 1 149 ILE H 3.305 . 4.810 3.166 3.091 3.263 . 0 0 "[ . 1]" 1
1583 1 149 ILE H 1 149 ILE QG 2.700 . 3.600 2.117 2.048 2.178 . 0 0 "[ . 1]" 1
1584 1 149 ILE HA 1 152 LEU QB 2.700 . 3.600 2.468 2.272 2.612 . 0 0 "[ . 1]" 1
1585 1 149 ILE QG 1 149 ILE MG 2.315 . 2.830 2.361 2.244 2.489 . 0 0 "[ . 1]" 1
1586 1 149 ILE MG 1 153 GLU QG 2.795 . 3.790 2.661 2.401 2.891 . 0 0 "[ . 1]" 1
1587 1 151 ASN H 1 151 ASN QB 2.460 . 3.120 2.333 2.259 2.422 . 0 0 "[ . 1]" 1
1588 1 151 ASN QB 1 152 LEU H 2.775 . 3.750 2.601 2.467 2.744 . 0 0 "[ . 1]" 1
1589 1 152 LEU H 1 152 LEU QB 2.360 . 2.920 2.217 2.160 2.379 . 0 0 "[ . 1]" 1
1590 1 152 LEU H 1 152 LEU QD 3.200 . 4.600 3.646 3.117 3.725 . 0 0 "[ . 1]" 1
1591 1 152 LEU HA 1 152 LEU QD 2.680 . 3.560 2.158 1.991 2.246 . 0 0 "[ . 1]" 1
1592 1 152 LEU QB 1 152 LEU QD 2.310 . 2.820 1.990 1.880 2.088 . 0 0 "[ . 1]" 1
1593 1 152 LEU QB 1 153 GLU H 2.640 . 3.480 2.640 2.372 2.811 . 0 0 "[ . 1]" 1
1594 1 152 LEU QD 1 153 GLU H 3.440 . 5.080 3.641 3.132 4.090 . 0 0 "[ . 1]" 1
1595 1 153 GLU H 1 153 GLU QB 2.690 . 3.580 2.417 2.234 2.503 . 0 0 "[ . 1]" 1
1596 1 153 GLU HA 1 153 GLU QB 2.220 . 2.640 2.388 2.334 2.444 . 0 0 "[ . 1]" 1
1597 1 153 GLU HA 1 153 GLU QG 2.480 . 3.160 2.580 2.416 2.956 . 0 0 "[ . 1]" 1
1598 1 153 GLU QB 1 153 GLU QG 2.060 . 2.320 2.048 1.988 2.089 . 0 0 "[ . 1]" 1
1599 1 153 GLU QB 1 154 HIS H 3.045 . 4.290 2.720 2.417 2.937 . 0 0 "[ . 1]" 1
1600 1 154 HIS H 1 154 HIS QB 2.695 . 3.590 2.354 2.214 2.503 . 0 0 "[ . 1]" 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 60
_Distance_constraint_stats_list.Viol_count 251
_Distance_constraint_stats_list.Viol_total 132.740
_Distance_constraint_stats_list.Viol_max 0.395
_Distance_constraint_stats_list.Viol_rms 0.0488
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0221
_Distance_constraint_stats_list.Viol_average_violations_only 0.0529
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 TRP 0.437 0.049 2 0 "[ . 1]"
1 12 GLY 0.036 0.024 5 0 "[ . 1]"
1 13 VAL 0.065 0.026 3 0 "[ . 1]"
1 14 LEU 0.090 0.031 10 0 "[ . 1]"
1 15 GLU 0.209 0.039 5 0 "[ . 1]"
1 16 TRP 0.089 0.024 6 0 "[ . 1]"
1 33 ARG 0.089 0.024 6 0 "[ . 1]"
1 35 LEU 0.090 0.031 10 0 "[ . 1]"
1 37 CYS 0.036 0.024 5 0 "[ . 1]"
1 38 GLN 0.343 0.062 2 0 "[ . 1]"
1 39 VAL 0.437 0.049 2 0 "[ . 1]"
1 40 TYR 0.000 0.000 . 0 "[ . 1]"
1 42 ASN 4.710 0.395 1 0 "[ . 1]"
1 54 GLN 0.065 0.026 3 0 "[ . 1]"
1 56 LEU 0.076 0.022 3 0 "[ . 1]"
1 57 ILE 0.407 0.070 8 0 "[ . 1]"
1 58 MET 0.133 0.039 5 0 "[ . 1]"
1 59 GLN 0.055 0.030 2 0 "[ . 1]"
1 61 ILE 0.410 0.059 2 0 "[ . 1]"
1 77 ARG 0.005 0.004 9 0 "[ . 1]"
1 78 MET 4.710 0.395 1 0 "[ . 1]"
1 79 VAL 0.144 0.025 5 0 "[ . 1]"
1 80 GLN 0.000 0.000 . 0 "[ . 1]"
1 81 PHE 1.478 0.150 2 0 "[ . 1]"
1 82 HIS 0.343 0.062 2 0 "[ . 1]"
1 103 ALA 0.410 0.059 2 0 "[ . 1]"
1 104 GLY 0.116 0.030 6 0 "[ . 1]"
1 105 CYS 0.055 0.030 2 0 "[ . 1]"
1 106 VAL 0.645 0.073 5 0 "[ . 1]"
1 107 HIS 0.407 0.070 8 0 "[ . 1]"
1 118 VAL 2.310 0.155 5 0 "[ . 1]"
1 119 LEU 0.645 0.073 5 0 "[ . 1]"
1 120 MET 0.221 0.035 6 0 "[ . 1]"
1 121 LEU 0.116 0.030 6 0 "[ . 1]"
1 122 LEU 0.096 0.034 1 0 "[ . 1]"
1 124 SER 1.407 0.154 3 0 "[ . 1]"
1 129 ILE 1.407 0.154 3 0 "[ . 1]"
1 130 PHE 1.478 0.150 2 0 "[ . 1]"
1 131 MET 0.096 0.034 1 0 "[ . 1]"
1 132 GLY 0.144 0.025 5 0 "[ . 1]"
1 133 LEU 0.221 0.035 6 0 "[ . 1]"
1 134 ILE 0.005 0.004 9 0 "[ . 1]"
1 135 PRO 2.310 0.155 5 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 TRP H 1 39 VAL O 1.900 . 2.000 2.032 2.010 2.049 0.049 2 0 "[ . 1]" 2
2 1 10 TRP N 1 39 VAL O 2.850 2.700 3.000 3.008 2.978 3.033 0.033 2 0 "[ . 1]" 2
3 1 14 LEU H 1 35 LEU O 1.900 . 2.000 1.897 1.784 2.019 0.019 5 0 "[ . 1]" 2
4 1 14 LEU N 1 35 LEU O 2.850 2.700 3.000 2.874 2.763 2.999 . 0 0 "[ . 1]" 2
5 1 16 TRP H 1 33 ARG O 1.900 . 2.000 1.866 1.777 2.024 0.024 6 0 "[ . 1]" 2
6 1 16 TRP N 1 33 ARG O 2.850 2.700 3.000 2.812 2.679 2.966 0.021 5 0 "[ . 1]" 2
7 1 14 LEU O 1 35 LEU H 1.900 . 2.000 1.854 1.769 1.961 0.031 10 0 "[ . 1]" 2
8 1 14 LEU O 1 35 LEU N 2.850 2.700 3.000 2.800 2.713 2.888 . 0 0 "[ . 1]" 2
9 1 12 GLY O 1 37 CYS H 1.900 . 2.000 1.827 1.776 1.888 0.024 5 0 "[ . 1]" 2
10 1 12 GLY O 1 37 CYS N 2.850 2.700 3.000 2.785 2.746 2.828 . 0 0 "[ . 1]" 2
11 1 38 GLN H 1 82 HIS O 1.900 . 2.000 1.797 1.764 1.828 0.036 1 0 "[ . 1]" 2
12 1 38 GLN N 1 82 HIS O 2.850 2.700 3.000 2.764 2.714 2.806 . 0 0 "[ . 1]" 2
13 1 40 TYR H 1 80 GLN O 1.900 . 2.000 1.879 1.805 1.984 . 0 0 "[ . 1]" 2
14 1 40 TYR N 1 80 GLN O 2.850 2.700 3.000 2.858 2.789 2.948 . 0 0 "[ . 1]" 2
15 1 42 ASN H 1 78 MET O 1.900 . 2.000 1.774 1.747 1.803 0.053 7 0 "[ . 1]" 2
16 1 42 ASN N 1 78 MET O 2.850 2.700 3.000 2.676 2.660 2.697 0.040 7 0 "[ . 1]" 2
17 1 59 GLN H 1 105 CYS O 1.900 . 2.000 1.903 1.770 2.014 0.030 2 0 "[ . 1]" 2
18 1 59 GLN N 1 105 CYS O 2.850 2.700 3.000 2.857 2.745 2.962 . 0 0 "[ . 1]" 2
19 1 61 ILE H 1 103 ALA O 1.900 . 2.000 1.841 1.800 1.880 . 0 0 "[ . 1]" 2
20 1 61 ILE N 1 103 ALA O 2.850 2.700 3.000 2.809 2.763 2.857 . 0 0 "[ . 1]" 2
21 1 42 ASN O 1 78 MET H 1.900 . 2.000 2.263 2.200 2.395 0.395 1 0 "[ . 1]" 2
22 1 42 ASN O 1 78 MET N 2.850 2.700 3.000 3.158 3.098 3.281 0.281 1 0 "[ . 1]" 2
23 1 79 VAL H 1 132 GLY O 1.900 . 2.000 1.790 1.775 1.822 0.025 5 0 "[ . 1]" 2
24 1 79 VAL N 1 132 GLY O 2.850 2.700 3.000 2.714 2.679 2.726 0.021 3 0 "[ . 1]" 2
25 1 38 GLN O 1 82 HIS H 1.900 . 2.000 2.015 1.972 2.062 0.062 2 0 "[ . 1]" 2
26 1 38 GLN O 1 82 HIS N 2.850 2.700 3.000 2.992 2.950 3.045 0.045 2 0 "[ . 1]" 2
27 1 61 ILE O 1 103 ALA H 1.900 . 2.000 1.759 1.741 1.788 0.059 2 0 "[ . 1]" 2
28 1 61 ILE O 1 103 ALA N 2.850 2.700 3.000 2.729 2.713 2.754 . 0 0 "[ . 1]" 2
29 1 104 GLY H 1 121 LEU O 1.900 . 2.000 1.900 1.818 2.013 0.013 6 0 "[ . 1]" 2
30 1 104 GLY N 1 121 LEU O 2.850 2.700 3.000 2.862 2.794 2.964 . 0 0 "[ . 1]" 2
31 1 59 GLN O 1 105 CYS H 1.900 . 2.000 1.926 1.821 2.005 0.005 4 0 "[ . 1]" 2
32 1 59 GLN O 1 105 CYS N 2.850 2.700 3.000 2.831 2.748 2.903 . 0 0 "[ . 1]" 2
33 1 106 VAL H 1 119 LEU O 1.900 . 2.000 1.811 1.771 1.880 0.029 2 0 "[ . 1]" 2
34 1 106 VAL N 1 119 LEU O 2.850 2.700 3.000 2.744 2.706 2.814 . 0 0 "[ . 1]" 2
35 1 118 VAL H 1 135 PRO O 1.900 . 2.000 2.132 2.112 2.155 0.155 5 0 "[ . 1]" 2
36 1 118 VAL N 1 135 PRO O 2.850 2.700 3.000 3.099 3.061 3.121 0.121 9 0 "[ . 1]" 2
37 1 106 VAL O 1 119 LEU H 1.900 . 2.000 2.023 1.907 2.073 0.073 5 0 "[ . 1]" 2
38 1 106 VAL O 1 119 LEU N 2.850 2.700 3.000 2.995 2.886 3.060 0.060 5 0 "[ . 1]" 2
39 1 120 MET H 1 133 LEU O 1.900 . 2.000 2.015 1.962 2.035 0.035 6 0 "[ . 1]" 2
40 1 120 MET N 1 133 LEU O 2.850 2.700 3.000 2.980 2.902 3.014 0.014 7 0 "[ . 1]" 2
41 1 104 GLY O 1 121 LEU H 1.900 . 2.000 1.820 1.770 1.917 0.030 6 0 "[ . 1]" 2
42 1 104 GLY O 1 121 LEU N 2.850 2.700 3.000 2.738 2.713 2.758 . 0 0 "[ . 1]" 2
43 1 122 LEU H 1 131 MET O 1.900 . 2.000 1.852 1.766 2.033 0.034 1 0 "[ . 1]" 2
44 1 122 LEU N 1 131 MET O 2.850 2.700 3.000 2.795 2.730 2.904 . 0 0 "[ . 1]" 2
45 1 13 VAL H 1 54 GLN O 1.900 . 2.000 1.899 1.785 2.026 0.026 3 0 "[ . 1]" 2
46 1 13 VAL N 1 54 GLN O 2.850 2.700 3.000 2.863 2.760 2.957 . 0 0 "[ . 1]" 2
47 1 15 GLU H 1 56 LEU O 1.900 . 2.000 1.874 1.778 2.021 0.022 3 0 "[ . 1]" 2
48 1 15 GLU N 1 56 LEU O 2.850 2.700 3.000 2.851 2.738 2.998 . 0 0 "[ . 1]" 2
49 1 57 ILE H 1 107 HIS O 1.900 . 2.000 2.033 1.947 2.070 0.070 8 0 "[ . 1]" 2
50 1 57 ILE N 1 107 HIS O 2.850 2.700 3.000 2.968 2.868 3.011 0.011 6 0 "[ . 1]" 2
51 1 15 GLU O 1 58 MET H 1.900 . 2.000 1.873 1.776 2.039 0.039 5 0 "[ . 1]" 2
52 1 15 GLU O 1 58 MET N 2.850 2.700 3.000 2.844 2.731 3.024 0.024 5 0 "[ . 1]" 2
53 1 81 PHE H 1 130 PHE O 1.900 . 2.000 1.783 1.762 1.837 0.038 8 0 "[ . 1]" 2
54 1 81 PHE N 1 130 PHE O 2.850 2.700 3.000 2.739 2.704 2.785 . 0 0 "[ . 1]" 2
55 1 124 SER O 1 129 ILE H 1.900 . 2.000 2.127 2.104 2.154 0.154 3 0 "[ . 1]" 2
56 1 124 SER O 1 129 ILE N 2.850 2.700 3.000 3.001 2.950 3.052 0.052 2 0 "[ . 1]" 2
57 1 81 PHE O 1 130 PHE H 1.900 . 2.000 2.105 2.040 2.150 0.150 2 0 "[ . 1]" 2
58 1 81 PHE O 1 130 PHE N 2.850 2.700 3.000 3.015 2.956 3.054 0.054 2 0 "[ . 1]" 2
59 1 77 ARG O 1 134 ILE H 1.900 . 2.000 1.896 1.796 2.002 0.004 9 0 "[ . 1]" 2
60 1 77 ARG O 1 134 ILE N 2.850 2.700 3.000 2.861 2.765 2.962 . 0 0 "[ . 1]" 2
stop_
save_
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