NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404789 |
1x4f   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4f
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 1940
_Distance_constraint_stats_list.Viol_count 341
_Distance_constraint_stats_list.Viol_total 34.742
_Distance_constraint_stats_list.Viol_max 0.069
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0051
_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 10 PRO 0.022 0.022 7 0 "[ . 1 . 2]"
1 11 GLU 0.022 0.022 7 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.001 0.001 2 0 "[ . 1 . 2]"
1 24 LEU 0.004 0.002 12 0 "[ . 1 . 2]"
1 25 GLY 0.048 0.017 19 0 "[ . 1 . 2]"
1 26 ARG 0.142 0.023 19 0 "[ . 1 . 2]"
1 27 VAL 0.064 0.010 10 0 "[ . 1 . 2]"
1 28 ILE 0.038 0.006 1 0 "[ . 1 . 2]"
1 29 HIS 0.005 0.004 15 0 "[ . 1 . 2]"
1 30 LEU 0.018 0.004 11 0 "[ . 1 . 2]"
1 31 SER 0.053 0.011 19 0 "[ . 1 . 2]"
1 32 ASN 0.008 0.007 11 0 "[ . 1 . 2]"
1 33 LEU 0.048 0.011 20 0 "[ . 1 . 2]"
1 34 PRO 0.019 0.014 12 0 "[ . 1 . 2]"
1 35 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 SER 0.007 0.004 12 0 "[ . 1 . 2]"
1 38 TYR 0.016 0.004 12 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASP 0.002 0.001 9 0 "[ . 1 . 2]"
1 41 SER 0.010 0.010 1 0 "[ . 1 . 2]"
1 42 ALA 0.024 0.019 1 0 "[ . 1 . 2]"
1 43 VAL 0.031 0.009 1 0 "[ . 1 . 2]"
1 44 LEU 0.089 0.021 16 0 "[ . 1 . 2]"
1 45 LYS 0.153 0.061 1 0 "[ . 1 . 2]"
1 46 LEU 0.018 0.005 11 0 "[ . 1 . 2]"
1 47 ALA 0.018 0.006 1 0 "[ . 1 . 2]"
1 48 GLU 0.082 0.023 20 0 "[ . 1 . 2]"
1 49 PRO 0.001 0.001 17 0 "[ . 1 . 2]"
1 50 TYR 0.013 0.004 17 0 "[ . 1 . 2]"
1 51 GLY 0.158 0.035 20 0 "[ . 1 . 2]"
1 52 LYS 0.040 0.012 5 0 "[ . 1 . 2]"
1 53 ILE 0.184 0.022 18 0 "[ . 1 . 2]"
1 54 LYS 0.217 0.022 18 0 "[ . 1 . 2]"
1 55 ASN 0.012 0.003 19 0 "[ . 1 . 2]"
1 56 TYR 0.052 0.016 5 0 "[ . 1 . 2]"
1 57 ILE 0.118 0.016 5 0 "[ . 1 . 2]"
1 58 LEU 0.026 0.005 17 0 "[ . 1 . 2]"
1 59 MET 0.080 0.011 11 0 "[ . 1 . 2]"
1 60 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.010 0.010 11 0 "[ . 1 . 2]"
1 63 SER 0.013 0.006 4 0 "[ . 1 . 2]"
1 64 GLN 0.008 0.005 17 0 "[ . 1 . 2]"
1 65 ALA 0.020 0.005 17 0 "[ . 1 . 2]"
1 66 PHE 0.004 0.003 19 0 "[ . 1 . 2]"
1 67 ILE 0.027 0.008 4 0 "[ . 1 . 2]"
1 68 GLU 0.034 0.009 17 0 "[ . 1 . 2]"
1 69 MET 0.031 0.006 1 0 "[ . 1 . 2]"
1 70 GLU 0.177 0.035 20 0 "[ . 1 . 2]"
1 71 THR 0.008 0.004 4 0 "[ . 1 . 2]"
1 72 ARG 0.031 0.017 19 0 "[ . 1 . 2]"
1 73 GLU 0.034 0.031 16 0 "[ . 1 . 2]"
1 74 ASP 0.005 0.002 3 0 "[ . 1 . 2]"
1 75 ALA 0.010 0.005 17 0 "[ . 1 . 2]"
1 76 MET 0.004 0.002 2 0 "[ . 1 . 2]"
1 77 ALA 0.006 0.002 19 0 "[ . 1 . 2]"
1 78 MET 0.005 0.002 9 0 "[ . 1 . 2]"
1 79 VAL 0.057 0.039 13 0 "[ . 1 . 2]"
1 80 ASP 0.047 0.039 13 0 "[ . 1 . 2]"
1 81 HIS 0.002 0.002 19 0 "[ . 1 . 2]"
1 82 CYS 0.001 0.001 15 0 "[ . 1 . 2]"
1 83 LEU 0.002 0.001 4 0 "[ . 1 . 2]"
1 84 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LYS 0.016 0.005 4 0 "[ . 1 . 2]"
1 86 ALA 0.013 0.005 4 0 "[ . 1 . 2]"
1 87 LEU 0.024 0.004 17 0 "[ . 1 . 2]"
1 88 TRP 0.018 0.006 18 0 "[ . 1 . 2]"
1 89 PHE 0.019 0.007 6 0 "[ . 1 . 2]"
1 90 GLN 0.039 0.028 13 0 "[ . 1 . 2]"
1 91 GLY 0.028 0.028 13 0 "[ . 1 . 2]"
1 92 ARG 0.036 0.014 12 0 "[ . 1 . 2]"
1 93 CYS 0.007 0.007 11 0 "[ . 1 . 2]"
1 94 VAL 0.055 0.011 20 0 "[ . 1 . 2]"
1 95 LYS 0.040 0.011 19 0 "[ . 1 . 2]"
1 96 VAL 0.007 0.002 19 0 "[ . 1 . 2]"
1 97 ASP 0.010 0.004 15 0 "[ . 1 . 2]"
1 98 LEU 0.012 0.006 9 0 "[ . 1 . 2]"
1 99 SER 0.006 0.002 4 0 "[ . 1 . 2]"
1 100 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LYS 0.057 0.035 1 0 "[ . 1 . 2]"
1 102 TYR 0.164 0.069 18 0 "[ . 1 . 2]"
1 103 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LYS 0.053 0.010 7 0 "[ . 1 . 2]"
1 105 LEU 0.022 0.008 5 0 "[ . 1 . 2]"
1 106 VAL 0.042 0.018 11 0 "[ . 1 . 2]"
1 107 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 68 GLU H 1 68 GLU HB2 . . 4.010 2.832 2.701 2.965 . 0 0 "[ . 1 . 2]" 1
2 1 68 GLU H 1 68 GLU HB3 . . 3.990 2.390 2.325 2.505 . 0 0 "[ . 1 . 2]" 1
3 1 68 GLU H 1 105 LEU MD1 . . 4.170 2.441 2.248 2.669 . 0 0 "[ . 1 . 2]" 1
4 1 86 ALA MB 1 88 TRP HE1 . . 3.150 2.301 1.858 2.660 . 0 0 "[ . 1 . 2]" 1
5 1 58 LEU H 1 58 LEU HB2 . . 3.650 2.325 2.265 2.414 . 0 0 "[ . 1 . 2]" 1
6 1 29 HIS H 1 29 HIS HB3 . . 3.910 2.654 2.399 2.838 . 0 0 "[ . 1 . 2]" 1
7 1 31 SER H 1 95 LYS H . . 3.840 3.246 2.880 3.468 . 0 0 "[ . 1 . 2]" 1
8 1 94 VAL HA 1 95 LYS H . . 3.030 2.179 2.139 2.219 . 0 0 "[ . 1 . 2]" 1
9 1 32 ASN HB3 1 95 LYS H . . 4.400 2.744 2.422 3.107 . 0 0 "[ . 1 . 2]" 1
10 1 95 LYS H 1 95 LYS HB3 . . 3.630 3.120 2.922 3.229 . 0 0 "[ . 1 . 2]" 1
11 1 95 LYS H 1 95 LYS HB2 . . 3.670 2.227 2.145 2.383 . 0 0 "[ . 1 . 2]" 1
12 1 54 LYS H 1 54 LYS HB2 . . 3.580 2.086 2.070 2.133 . 0 0 "[ . 1 . 2]" 1
13 1 69 MET H 1 69 MET HG2 . . 3.990 2.298 2.093 2.661 . 0 0 "[ . 1 . 2]" 1
14 1 69 MET H 1 69 MET HG3 . . 3.990 3.355 2.664 3.742 . 0 0 "[ . 1 . 2]" 1
15 1 69 MET H 1 69 MET ME . . 4.640 4.273 4.138 4.351 . 0 0 "[ . 1 . 2]" 1
16 1 28 ILE HG13 1 69 MET H . . 5.500 4.089 3.854 4.335 . 0 0 "[ . 1 . 2]" 1
17 1 85 LYS HA 1 86 ALA H . . 2.750 2.269 2.182 2.341 . 0 0 "[ . 1 . 2]" 1
18 1 85 LYS HB3 1 86 ALA H . . 4.060 3.386 2.594 3.991 . 0 0 "[ . 1 . 2]" 1
19 1 85 LYS HB2 1 86 ALA H . . 4.060 3.925 3.679 4.061 0.001 15 0 "[ . 1 . 2]" 1
20 1 86 ALA H 1 86 ALA MB . . 2.820 2.128 2.041 2.258 . 0 0 "[ . 1 . 2]" 1
21 1 87 LEU HA 1 88 TRP H . . 2.940 2.146 2.139 2.157 . 0 0 "[ . 1 . 2]" 1
22 1 88 TRP H 1 88 TRP HB3 . . 3.900 3.651 3.588 3.748 . 0 0 "[ . 1 . 2]" 1
23 1 88 TRP H 1 88 TRP HB2 . . 3.490 2.437 2.340 2.596 . 0 0 "[ . 1 . 2]" 1
24 1 95 LYS HA 1 96 VAL H . . 2.800 2.147 2.140 2.160 . 0 0 "[ . 1 . 2]" 1
25 1 96 VAL H 1 96 VAL HB . . 3.450 3.115 2.880 3.303 . 0 0 "[ . 1 . 2]" 1
26 1 95 LYS HG2 1 96 VAL H . . 5.030 4.070 3.003 4.978 . 0 0 "[ . 1 . 2]" 1
27 1 95 LYS HG3 1 96 VAL H . . 5.030 3.766 2.938 4.979 . 0 0 "[ . 1 . 2]" 1
28 1 59 MET H 1 65 ALA HA . . 3.660 2.594 2.432 2.731 . 0 0 "[ . 1 . 2]" 1
29 1 87 LEU H 1 87 LEU HB2 . . 3.740 2.304 2.207 2.361 . 0 0 "[ . 1 . 2]" 1
30 1 86 ALA HA 1 87 LEU H . . 2.910 2.145 2.141 2.155 . 0 0 "[ . 1 . 2]" 1
31 1 87 LEU H 1 87 LEU HB3 . . 3.740 2.819 2.735 2.909 . 0 0 "[ . 1 . 2]" 1
32 1 87 LEU H 1 87 LEU HG . . 4.370 4.332 4.223 4.374 0.004 8 0 "[ . 1 . 2]" 1
33 1 86 ALA MB 1 87 LEU H . . 3.400 3.306 3.209 3.396 . 0 0 "[ . 1 . 2]" 1
34 1 28 ILE MG 1 97 ASP H . . 4.250 3.611 3.406 3.836 . 0 0 "[ . 1 . 2]" 1
35 1 52 LYS HA 1 53 ILE H . . 2.890 2.142 2.140 2.148 . 0 0 "[ . 1 . 2]" 1
36 1 53 ILE H 1 53 ILE HB . . 3.110 2.473 2.414 2.552 . 0 0 "[ . 1 . 2]" 1
37 1 53 ILE H 1 53 ILE HG13 . . 3.400 2.441 2.220 2.662 . 0 0 "[ . 1 . 2]" 1
38 1 53 ILE H 1 53 ILE HG12 . . 3.960 3.855 3.722 3.961 0.001 9 0 "[ . 1 . 2]" 1
39 1 53 ILE H 1 53 ILE MG . . 4.010 3.758 3.743 3.773 . 0 0 "[ . 1 . 2]" 1
40 1 41 SER HB2 1 42 ALA H . . 3.900 3.074 2.828 3.713 . 0 0 "[ . 1 . 2]" 1
41 1 41 SER HB3 1 42 ALA H . . 3.900 2.929 2.581 3.896 . 0 0 "[ . 1 . 2]" 1
42 1 41 SER H 1 42 ALA H . . 4.320 2.962 2.868 3.085 . 0 0 "[ . 1 . 2]" 1
43 1 92 ARG HB3 1 93 CYS H . . 4.110 2.962 2.640 3.287 . 0 0 "[ . 1 . 2]" 1
44 1 93 CYS H 1 93 CYS HB2 . . 3.640 2.917 2.271 3.622 . 0 0 "[ . 1 . 2]" 1
45 1 32 ASN HD22 1 93 CYS H . . 4.470 4.110 2.974 4.460 . 0 0 "[ . 1 . 2]" 1
46 1 92 ARG HA 1 93 CYS H . . 2.970 2.226 2.156 2.318 . 0 0 "[ . 1 . 2]" 1
47 1 89 PHE H 1 89 PHE HB2 . . 3.890 3.150 2.914 3.328 . 0 0 "[ . 1 . 2]" 1
48 1 88 TRP HA 1 89 PHE H . . 3.080 2.155 2.140 2.216 . 0 0 "[ . 1 . 2]" 1
49 1 89 PHE H 1 93 CYS HA . . 4.260 4.057 3.723 4.252 . 0 0 "[ . 1 . 2]" 1
50 1 88 TRP HB3 1 89 PHE H . . 4.090 3.388 3.003 3.713 . 0 0 "[ . 1 . 2]" 1
51 1 89 PHE H 1 89 PHE HB3 . . 3.940 2.444 2.259 2.773 . 0 0 "[ . 1 . 2]" 1
52 1 89 PHE H 1 94 VAL MG1 . . 3.660 2.595 2.278 2.925 . 0 0 "[ . 1 . 2]" 1
53 1 72 ARG H 1 73 GLU H . . 3.860 2.589 2.334 2.812 . 0 0 "[ . 1 . 2]" 1
54 1 71 THR HB 1 72 ARG H . . 3.770 2.505 2.141 2.989 . 0 0 "[ . 1 . 2]" 1
55 1 72 ARG H 1 72 ARG HB2 . . 3.570 2.386 2.069 2.602 . 0 0 "[ . 1 . 2]" 1
56 1 72 ARG H 1 72 ARG HB3 . . 3.990 2.733 2.505 3.312 . 0 0 "[ . 1 . 2]" 1
57 1 23 GLU HA 1 24 LEU H . . 3.190 2.327 2.142 3.175 . 0 0 "[ . 1 . 2]" 1
58 1 28 ILE H 1 67 ILE H . . 4.200 3.066 2.586 3.398 . 0 0 "[ . 1 . 2]" 1
59 1 66 PHE HB3 1 67 ILE H . . 4.300 3.375 2.564 3.673 . 0 0 "[ . 1 . 2]" 1
60 1 67 ILE H 1 67 ILE HG13 . . 4.620 2.747 2.455 3.180 . 0 0 "[ . 1 . 2]" 1
61 1 98 LEU H 1 98 LEU HG . . 4.160 4.069 3.974 4.152 . 0 0 "[ . 1 . 2]" 1
62 1 98 LEU H 1 98 LEU HB2 . . 3.300 2.070 2.044 2.127 . 0 0 "[ . 1 . 2]" 1
63 1 97 ASP HA 1 98 LEU H . . 2.940 2.234 2.199 2.289 . 0 0 "[ . 1 . 2]" 1
64 1 98 LEU H 1 98 LEU HB3 . . 3.360 3.198 3.115 3.302 . 0 0 "[ . 1 . 2]" 1
65 1 79 VAL MG2 1 98 LEU H . . 3.830 3.305 3.124 3.461 . 0 0 "[ . 1 . 2]" 1
66 1 98 LEU H 1 98 LEU MD1 . . 4.050 3.319 3.008 3.616 . 0 0 "[ . 1 . 2]" 1
67 1 85 LYS H 1 85 LYS HB2 . . 4.130 2.884 2.591 3.114 . 0 0 "[ . 1 . 2]" 1
68 1 83 LEU H 1 85 LYS H . . 4.040 3.956 3.751 4.041 0.001 20 0 "[ . 1 . 2]" 1
69 1 84 LYS H 1 85 LYS H . . 2.880 2.542 2.351 2.640 . 0 0 "[ . 1 . 2]" 1
70 1 84 LYS HB2 1 85 LYS H . . 3.400 2.577 2.480 2.678 . 0 0 "[ . 1 . 2]" 1
71 1 84 LYS HD3 1 85 LYS H . . 4.320 3.893 3.516 4.119 . 0 0 "[ . 1 . 2]" 1
72 1 10 PRO HA 1 11 GLU H . . 3.530 2.689 2.165 3.552 0.022 7 0 "[ . 1 . 2]" 1
73 1 76 MET H 1 77 ALA H . . 3.290 2.695 2.521 2.840 . 0 0 "[ . 1 . 2]" 1
74 1 77 ALA H 1 78 MET H . . 3.300 2.638 2.530 2.763 . 0 0 "[ . 1 . 2]" 1
75 1 76 MET HB2 1 77 ALA H . . 3.540 2.613 2.300 2.802 . 0 0 "[ . 1 . 2]" 1
76 1 74 ASP H 1 74 ASP HB2 . . 3.800 2.642 2.525 2.791 . 0 0 "[ . 1 . 2]" 1
77 1 74 ASP H 1 74 ASP HB3 . . 3.800 3.593 3.572 3.613 . 0 0 "[ . 1 . 2]" 1
78 1 73 GLU HB2 1 74 ASP H . . 4.070 2.737 2.197 4.034 . 0 0 "[ . 1 . 2]" 1
79 1 73 GLU HB3 1 74 ASP H . . 4.070 3.246 2.220 3.774 . 0 0 "[ . 1 . 2]" 1
80 1 105 LEU H 1 105 LEU HB3 . . 4.120 3.734 3.599 4.064 . 0 0 "[ . 1 . 2]" 1
81 1 104 LYS HB2 1 105 LEU H . . 4.060 2.909 2.148 3.952 . 0 0 "[ . 1 . 2]" 1
82 1 68 GLU HB2 1 105 LEU H . . 4.670 3.958 3.239 4.673 0.003 10 0 "[ . 1 . 2]" 1
83 1 27 VAL MG2 1 105 LEU H . . 4.440 3.881 3.134 4.378 . 0 0 "[ . 1 . 2]" 1
84 1 105 LEU H 1 105 LEU HB2 . . 3.640 2.711 2.401 3.608 . 0 0 "[ . 1 . 2]" 1
85 1 105 LEU H 1 105 LEU HG . . 3.940 2.681 2.220 3.493 . 0 0 "[ . 1 . 2]" 1
86 1 75 ALA H 1 76 MET H . . 3.300 2.966 2.818 3.127 . 0 0 "[ . 1 . 2]" 1
87 1 74 ASP H 1 75 ALA H . . 3.300 2.947 2.751 3.233 . 0 0 "[ . 1 . 2]" 1
88 1 74 ASP HB2 1 75 ALA H . . 3.910 2.042 1.906 2.345 . 0 0 "[ . 1 . 2]" 1
89 1 74 ASP HB3 1 75 ALA H . . 3.910 3.267 3.104 3.615 . 0 0 "[ . 1 . 2]" 1
90 1 69 MET HB2 1 75 ALA H . . 4.320 2.664 2.515 2.926 . 0 0 "[ . 1 . 2]" 1
91 1 69 MET HG2 1 75 ALA H . . 4.680 3.793 3.299 4.553 . 0 0 "[ . 1 . 2]" 1
92 1 69 MET HG3 1 75 ALA H . . 4.680 2.681 2.265 3.227 . 0 0 "[ . 1 . 2]" 1
93 1 69 MET HB3 1 75 ALA H . . 4.320 2.997 2.808 3.217 . 0 0 "[ . 1 . 2]" 1
94 1 69 MET ME 1 75 ALA H . . 4.200 4.015 3.756 4.200 . 17 0 "[ . 1 . 2]" 1
95 1 75 ALA H 1 75 ALA MB . . 2.970 2.106 2.030 2.255 . 0 0 "[ . 1 . 2]" 1
96 1 30 LEU H 1 65 ALA H . . 4.120 3.088 2.691 3.385 . 0 0 "[ . 1 . 2]" 1
97 1 64 GLN HA 1 65 ALA H . . 3.220 2.356 2.233 2.461 . 0 0 "[ . 1 . 2]" 1
98 1 83 LEU H 1 84 LYS H . . 3.200 2.648 2.475 2.754 . 0 0 "[ . 1 . 2]" 1
99 1 80 ASP HA 1 83 LEU H . . 3.930 3.170 3.067 3.389 . 0 0 "[ . 1 . 2]" 1
100 1 83 LEU H 1 83 LEU HB2 . . 3.270 2.428 2.233 2.616 . 0 0 "[ . 1 . 2]" 1
101 1 83 LEU H 1 83 LEU HG . . 3.480 2.424 2.035 2.873 . 0 0 "[ . 1 . 2]" 1
102 1 83 LEU H 1 83 LEU HB3 . . 3.610 3.579 3.527 3.605 . 0 0 "[ . 1 . 2]" 1
103 1 89 PHE H 1 92 ARG H . . 3.430 2.782 2.183 3.433 0.003 19 0 "[ . 1 . 2]" 1
104 1 91 GLY H 1 92 ARG H . . 3.580 2.358 1.830 2.603 . 0 0 "[ . 1 . 2]" 1
105 1 88 TRP HE3 1 92 ARG H . . 4.160 2.477 2.133 2.780 . 0 0 "[ . 1 . 2]" 1
106 1 92 ARG H 1 92 ARG HB3 . . 3.860 3.790 3.684 3.868 0.008 20 0 "[ . 1 . 2]" 1
107 1 92 ARG H 1 92 ARG HB2 . . 3.450 2.683 2.537 2.835 . 0 0 "[ . 1 . 2]" 1
108 1 92 ARG H 1 92 ARG HG2 . . 4.220 3.408 2.929 3.791 . 0 0 "[ . 1 . 2]" 1
109 1 92 ARG H 1 92 ARG HG3 . . 4.220 3.731 3.372 4.078 . 0 0 "[ . 1 . 2]" 1
110 1 105 LEU MD2 1 106 VAL H . . 4.160 3.847 3.028 4.150 . 0 0 "[ . 1 . 2]" 1
111 1 105 LEU HA 1 106 VAL H . . 3.410 2.258 2.139 2.627 . 0 0 "[ . 1 . 2]" 1
112 1 106 VAL H 1 106 VAL HB . . 3.670 3.343 2.489 3.688 0.018 11 0 "[ . 1 . 2]" 1
113 1 106 VAL H 1 106 VAL MG1 . . 4.060 2.904 2.031 4.048 . 0 0 "[ . 1 . 2]" 1
114 1 69 MET HA 1 70 GLU H . . 3.290 2.447 2.311 2.543 . 0 0 "[ . 1 . 2]" 1
115 1 53 ILE HA 1 70 GLU H . . 4.260 4.145 3.962 4.264 0.004 9 0 "[ . 1 . 2]" 1
116 1 54 LYS HD2 1 70 GLU H . . 5.020 4.264 3.899 4.886 . 0 0 "[ . 1 . 2]" 1
117 1 56 TYR QD 1 57 ILE H . . 4.050 3.070 2.850 3.285 . 0 0 "[ . 1 . 2]" 1
118 1 56 TYR HB2 1 57 ILE H . . 4.140 2.696 2.538 2.820 . 0 0 "[ . 1 . 2]" 1
119 1 56 TYR HB3 1 57 ILE H . . 4.140 4.016 3.919 4.091 . 0 0 "[ . 1 . 2]" 1
120 1 73 GLU H 1 73 GLU HG2 . . 4.160 3.362 2.318 4.139 . 0 0 "[ . 1 . 2]" 1
121 1 73 GLU H 1 74 ASP H . . 3.600 2.871 2.686 3.190 . 0 0 "[ . 1 . 2]" 1
122 1 71 THR HB 1 73 GLU H . . 3.720 3.252 3.008 3.606 . 0 0 "[ . 1 . 2]" 1
123 1 73 GLU H 1 73 GLU HB2 . . 3.710 2.378 2.064 3.530 . 0 0 "[ . 1 . 2]" 1
124 1 73 GLU H 1 73 GLU HB3 . . 3.710 3.458 2.244 3.607 . 0 0 "[ . 1 . 2]" 1
125 1 72 ARG HB3 1 73 GLU H . . 3.660 2.707 2.487 2.955 . 0 0 "[ . 1 . 2]" 1
126 1 27 VAL MG1 1 99 SER H . . 4.100 3.480 2.991 3.813 . 0 0 "[ . 1 . 2]" 1
127 1 99 SER H 1 99 SER HB2 . . 3.770 2.653 2.102 3.708 . 0 0 "[ . 1 . 2]" 1
128 1 99 SER H 1 99 SER HB3 . . 3.770 2.801 2.332 3.525 . 0 0 "[ . 1 . 2]" 1
129 1 98 LEU MD2 1 99 SER H . . 3.760 3.638 3.147 3.762 0.002 1 0 "[ . 1 . 2]" 1
130 1 79 VAL H 1 80 ASP H . . 3.440 2.738 2.619 2.894 . 0 0 "[ . 1 . 2]" 1
131 1 79 VAL H 1 79 VAL MG2 . . 3.760 2.332 2.221 2.523 . 0 0 "[ . 1 . 2]" 1
132 1 76 MET HA 1 79 VAL H . . 3.900 3.723 3.503 3.896 . 0 0 "[ . 1 . 2]" 1
133 1 78 MET HB2 1 79 VAL H . . 4.230 3.403 3.019 3.602 . 0 0 "[ . 1 . 2]" 1
134 1 48 GLU H 1 48 GLU HG2 . . 4.020 3.525 3.179 3.845 . 0 0 "[ . 1 . 2]" 1
135 1 48 GLU H 1 48 GLU HG3 . . 4.020 3.654 3.259 3.997 . 0 0 "[ . 1 . 2]" 1
136 1 48 GLU H 1 48 GLU HB2 . . 3.070 2.102 2.068 2.150 . 0 0 "[ . 1 . 2]" 1
137 1 48 GLU H 1 53 ILE MD . . 3.990 3.473 3.170 3.781 . 0 0 "[ . 1 . 2]" 1
138 1 45 LYS HA 1 48 GLU H . . 3.680 3.218 3.090 3.392 . 0 0 "[ . 1 . 2]" 1
139 1 48 GLU H 1 49 PRO HD3 . . 3.640 3.151 3.036 3.315 . 0 0 "[ . 1 . 2]" 1
140 1 65 ALA HA 1 66 PHE H . . 3.290 2.270 2.227 2.345 . 0 0 "[ . 1 . 2]" 1
141 1 66 PHE H 1 66 PHE HB2 . . 3.790 2.675 2.530 2.763 . 0 0 "[ . 1 . 2]" 1
142 1 28 ILE MD 1 78 MET H . . 4.160 3.730 3.551 3.878 . 0 0 "[ . 1 . 2]" 1
143 1 78 MET H 1 79 VAL MG1 . . 4.590 4.071 3.925 4.264 . 0 0 "[ . 1 . 2]" 1
144 1 43 VAL HB 1 44 LEU H . . 3.590 3.073 2.962 3.176 . 0 0 "[ . 1 . 2]" 1
145 1 44 LEU H 1 44 LEU HB2 . . 3.590 2.735 2.599 2.804 . 0 0 "[ . 1 . 2]" 1
146 1 44 LEU H 1 44 LEU HG . . 3.150 2.076 1.972 2.320 . 0 0 "[ . 1 . 2]" 1
147 1 41 SER HA 1 44 LEU H . . 4.040 3.120 2.896 3.316 . 0 0 "[ . 1 . 2]" 1
148 1 42 ALA MB 1 44 LEU H . . 4.470 4.388 4.301 4.489 0.019 1 0 "[ . 1 . 2]" 1
149 1 78 MET H 1 78 MET HB2 . . 3.430 2.309 2.108 2.477 . 0 0 "[ . 1 . 2]" 1
150 1 78 MET H 1 78 MET HB3 . . 3.430 2.803 2.628 3.104 . 0 0 "[ . 1 . 2]" 1
151 1 80 ASP H 1 80 ASP HB2 . . 3.130 2.153 2.073 2.367 . 0 0 "[ . 1 . 2]" 1
152 1 80 ASP H 1 80 ASP HB3 . . 3.390 3.090 2.768 3.337 . 0 0 "[ . 1 . 2]" 1
153 1 79 VAL HB 1 80 ASP H . . 4.060 3.928 3.759 4.067 0.007 13 0 "[ . 1 . 2]" 1
154 1 80 ASP H 1 81 HIS H . . 3.420 2.628 2.490 2.826 . 0 0 "[ . 1 . 2]" 1
155 1 81 HIS H 1 81 HIS HB2 . . 3.310 2.225 2.072 2.548 . 0 0 "[ . 1 . 2]" 1
156 1 80 ASP HB2 1 81 HIS H . . 3.550 3.252 2.836 3.548 . 0 0 "[ . 1 . 2]" 1
157 1 81 HIS HA 1 84 LYS H . . 4.030 3.794 3.551 3.963 . 0 0 "[ . 1 . 2]" 1
158 1 84 LYS H 1 84 LYS HB2 . . 3.080 2.408 2.262 2.538 . 0 0 "[ . 1 . 2]" 1
159 1 83 LEU HB3 1 84 LYS H . . 3.920 3.421 3.198 3.673 . 0 0 "[ . 1 . 2]" 1
160 1 84 LYS H 1 84 LYS HG2 . . 4.190 4.014 3.819 4.163 . 0 0 "[ . 1 . 2]" 1
161 1 84 LYS H 1 84 LYS HG3 . . 4.190 3.071 2.726 3.763 . 0 0 "[ . 1 . 2]" 1
162 1 80 ASP HA 1 84 LYS H . . 5.360 4.485 4.122 4.870 . 0 0 "[ . 1 . 2]" 1
163 1 84 LYS H 1 84 LYS HD2 . . 4.280 3.308 2.546 3.647 . 0 0 "[ . 1 . 2]" 1
164 1 56 TYR H 1 105 LEU MD1 . . 4.120 3.128 2.739 3.474 . 0 0 "[ . 1 . 2]" 1
165 1 56 TYR H 1 56 TYR QD . . 3.540 2.746 2.484 3.116 . 0 0 "[ . 1 . 2]" 1
166 1 55 ASN HA 1 56 TYR H . . 3.010 2.283 2.246 2.329 . 0 0 "[ . 1 . 2]" 1
167 1 55 ASN HB3 1 56 TYR H . . 3.540 3.265 3.061 3.399 . 0 0 "[ . 1 . 2]" 1
168 1 51 GLY HA3 1 52 LYS H . . 3.220 2.708 2.679 2.745 . 0 0 "[ . 1 . 2]" 1
169 1 52 LYS H 1 52 LYS HB3 . . 3.520 3.427 3.293 3.532 0.012 5 0 "[ . 1 . 2]" 1
170 1 45 LYS H 1 46 LEU H . . 3.520 2.645 2.582 2.690 . 0 0 "[ . 1 . 2]" 1
171 1 44 LEU H 1 45 LYS H . . 3.390 2.278 2.224 2.315 . 0 0 "[ . 1 . 2]" 1
172 1 42 ALA HA 1 45 LYS H . . 3.760 3.485 3.372 3.688 . 0 0 "[ . 1 . 2]" 1
173 1 45 LYS H 1 45 LYS HB2 . . 3.500 2.156 2.060 3.561 0.061 1 0 "[ . 1 . 2]" 1
174 1 44 LEU HB2 1 45 LYS H . . 3.570 3.300 3.066 3.363 . 0 0 "[ . 1 . 2]" 1
175 1 45 LYS H 1 45 LYS HG2 . . 4.330 4.102 2.566 4.309 . 0 0 "[ . 1 . 2]" 1
176 1 44 LEU HG 1 45 LYS H . . 4.260 4.124 4.023 4.243 . 0 0 "[ . 1 . 2]" 1
177 1 43 VAL H 1 45 LYS H . . 4.010 3.806 3.698 3.851 . 0 0 "[ . 1 . 2]" 1
178 1 43 VAL HA 1 46 LEU H . . 4.480 4.303 4.099 4.438 . 0 0 "[ . 1 . 2]" 1
179 1 46 LEU H 1 46 LEU HG . . 2.890 1.969 1.906 2.047 . 0 0 "[ . 1 . 2]" 1
180 1 46 LEU H 1 46 LEU MD1 . . 3.730 3.558 3.534 3.591 . 0 0 "[ . 1 . 2]" 1
181 1 46 LEU H 1 47 ALA MB . . 4.170 3.936 3.820 4.128 . 0 0 "[ . 1 . 2]" 1
182 1 47 ALA H 1 48 GLU H . . 3.000 1.861 1.798 2.017 . 0 0 "[ . 1 . 2]" 1
183 1 44 LEU HA 1 47 ALA H . . 4.290 3.401 3.264 3.498 . 0 0 "[ . 1 . 2]" 1
184 1 46 LEU HG 1 47 ALA H . . 3.620 3.222 2.862 3.350 . 0 0 "[ . 1 . 2]" 1
185 1 102 TYR H 1 102 TYR HB3 . . 3.960 3.653 3.516 4.029 0.069 18 0 "[ . 1 . 2]" 1
186 1 102 TYR H 1 102 TYR QD . . 4.010 2.732 2.026 3.299 . 0 0 "[ . 1 . 2]" 1
187 1 102 TYR H 1 102 TYR HB2 . . 3.960 2.698 2.219 3.859 . 0 0 "[ . 1 . 2]" 1
188 1 101 LYS HB3 1 102 TYR H . . 4.120 2.813 1.910 4.126 0.006 1 0 "[ . 1 . 2]" 1
189 1 101 LYS HB2 1 102 TYR H . . 4.120 3.605 1.922 4.128 0.008 1 0 "[ . 1 . 2]" 1
190 1 82 CYS H 1 83 LEU H . . 3.340 2.336 2.222 2.503 . 0 0 "[ . 1 . 2]" 1
191 1 81 HIS HB2 1 82 CYS H . . 4.080 3.843 3.447 4.080 . 13 0 "[ . 1 . 2]" 1
192 1 81 HIS HB3 1 82 CYS H . . 4.080 3.150 2.844 3.440 . 0 0 "[ . 1 . 2]" 1
193 1 82 CYS H 1 82 CYS HB2 . . 3.950 2.835 2.567 3.018 . 0 0 "[ . 1 . 2]" 1
194 1 82 CYS H 1 82 CYS HB3 . . 3.950 2.374 2.241 2.574 . 0 0 "[ . 1 . 2]" 1
195 1 79 VAL HA 1 82 CYS H . . 4.240 3.728 3.571 3.880 . 0 0 "[ . 1 . 2]" 1
196 1 42 ALA H 1 43 VAL H . . 3.220 2.803 2.689 2.888 . 0 0 "[ . 1 . 2]" 1
197 1 43 VAL H 1 43 VAL HB . . 3.120 2.338 2.324 2.367 . 0 0 "[ . 1 . 2]" 1
198 1 42 ALA MB 1 43 VAL H . . 3.400 2.676 2.509 2.977 . 0 0 "[ . 1 . 2]" 1
199 1 43 VAL H 1 43 VAL MG1 . . 3.830 3.706 3.695 3.725 . 0 0 "[ . 1 . 2]" 1
200 1 43 VAL H 1 44 LEU HG . . 4.130 3.571 3.440 3.689 . 0 0 "[ . 1 . 2]" 1
201 1 43 VAL H 1 43 VAL MG2 . . 3.210 2.576 2.405 2.777 . 0 0 "[ . 1 . 2]" 1
202 1 31 SER H 1 95 LYS HB3 . . 4.270 3.195 2.941 3.371 . 0 0 "[ . 1 . 2]" 1
203 1 31 SER H 1 95 LYS HB2 . . 4.020 3.859 3.470 4.009 . 0 0 "[ . 1 . 2]" 1
204 1 30 LEU HA 1 31 SER H . . 3.050 2.154 2.140 2.182 . 0 0 "[ . 1 . 2]" 1
205 1 30 LEU MD2 1 31 SER H . . 4.070 3.824 3.516 4.067 . 0 0 "[ . 1 . 2]" 1
206 1 72 ARG HA 1 76 MET H . . 4.110 3.782 3.540 4.084 . 0 0 "[ . 1 . 2]" 1
207 1 76 MET H 1 76 MET HG2 . . 3.520 2.291 2.107 2.411 . 0 0 "[ . 1 . 2]" 1
208 1 76 MET H 1 76 MET HB2 . . 3.230 2.506 2.434 2.605 . 0 0 "[ . 1 . 2]" 1
209 1 38 TYR H 1 38 TYR HB3 . . 4.110 2.868 2.821 2.927 . 0 0 "[ . 1 . 2]" 1
210 1 103 LYS HB2 1 104 LYS H . . 4.860 3.276 2.327 4.305 . 0 0 "[ . 1 . 2]" 1
211 1 103 LYS HB3 1 104 LYS H . . 4.860 3.026 1.919 4.538 . 0 0 "[ . 1 . 2]" 1
212 1 104 LYS H 1 104 LYS HG2 . . 4.650 3.250 2.186 4.640 . 0 0 "[ . 1 . 2]" 1
213 1 63 SER H 1 64 GLN H . . 3.560 3.029 2.714 3.345 . 0 0 "[ . 1 . 2]" 1
214 1 62 LYS H 1 63 SER H . . 3.340 2.846 2.553 3.033 . 0 0 "[ . 1 . 2]" 1
215 1 54 LYS H 1 55 ASN H . . 3.340 2.489 2.356 2.560 . 0 0 "[ . 1 . 2]" 1
216 1 55 ASN H 1 68 GLU H . . 4.040 3.650 3.508 3.740 . 0 0 "[ . 1 . 2]" 1
217 1 55 ASN H 1 55 ASN HB2 . . 4.000 3.085 2.938 3.195 . 0 0 "[ . 1 . 2]" 1
218 1 55 ASN H 1 68 GLU HB3 . . 3.670 3.087 2.759 3.258 . 0 0 "[ . 1 . 2]" 1
219 1 54 LYS HB3 1 55 ASN H . . 3.700 3.345 3.157 3.476 . 0 0 "[ . 1 . 2]" 1
220 1 54 LYS HB2 1 55 ASN H . . 3.740 3.348 3.174 3.486 . 0 0 "[ . 1 . 2]" 1
221 1 50 TYR H 1 50 TYR QD . . 3.450 2.646 2.426 2.812 . 0 0 "[ . 1 . 2]" 1
222 1 49 PRO HD3 1 50 TYR H . . 4.210 4.040 4.002 4.053 . 0 0 "[ . 1 . 2]" 1
223 1 50 TYR H 1 50 TYR HB3 . . 3.980 3.621 3.583 3.653 . 0 0 "[ . 1 . 2]" 1
224 1 50 TYR H 1 50 TYR HB2 . . 3.560 2.382 2.322 2.433 . 0 0 "[ . 1 . 2]" 1
225 1 49 PRO HD2 1 50 TYR H . . 3.860 3.023 2.950 3.046 . 0 0 "[ . 1 . 2]" 1
226 1 32 ASN H 1 33 LEU H . . 3.610 2.758 2.538 3.208 . 0 0 "[ . 1 . 2]" 1
227 1 33 LEU H 1 33 LEU HG . . 3.390 2.778 2.594 3.088 . 0 0 "[ . 1 . 2]" 1
228 1 33 LEU H 1 33 LEU HB2 . . 3.580 2.337 2.267 2.408 . 0 0 "[ . 1 . 2]" 1
229 1 64 GLN H 1 64 GLN HB3 . . 4.100 3.736 3.603 3.876 . 0 0 "[ . 1 . 2]" 1
230 1 33 LEU MD1 1 64 GLN H . . 4.350 3.761 3.280 4.322 . 0 0 "[ . 1 . 2]" 1
231 1 64 GLN H 1 64 GLN HB2 . . 4.100 2.604 2.401 2.873 . 0 0 "[ . 1 . 2]" 1
232 1 24 LEU HB2 1 25 GLY H . . 4.550 3.368 2.218 4.486 . 0 0 "[ . 1 . 2]" 1
233 1 35 HIS HB2 1 36 SER H . . 5.440 4.552 4.355 4.649 . 0 0 "[ . 1 . 2]" 1
234 1 35 HIS HB3 1 36 SER H . . 5.440 4.399 4.268 4.658 . 0 0 "[ . 1 . 2]" 1
235 1 38 TYR HB3 1 90 GLN HE21 . . 4.710 3.043 2.161 3.994 . 0 0 "[ . 1 . 2]" 1
236 1 51 GLY H 1 52 LYS H . . 4.460 4.361 4.352 4.370 . 0 0 "[ . 1 . 2]" 1
237 1 71 THR H 1 74 ASP HB2 . . 4.810 3.105 2.908 3.293 . 0 0 "[ . 1 . 2]" 1
238 1 70 GLU HG2 1 71 THR H . . 4.100 3.992 3.682 4.101 0.001 11 0 "[ . 1 . 2]" 1
239 1 70 GLU H 1 71 THR H . . 3.670 2.558 2.430 2.735 . 0 0 "[ . 1 . 2]" 1
240 1 70 GLU HB3 1 71 THR H . . 3.730 2.690 2.330 2.883 . 0 0 "[ . 1 . 2]" 1
241 1 70 GLU HB2 1 71 THR H . . 4.200 3.912 3.719 4.042 . 0 0 "[ . 1 . 2]" 1
242 1 90 GLN H 1 91 GLY H . . 4.100 2.849 2.615 3.771 . 0 0 "[ . 1 . 2]" 1
243 1 90 GLN HA 1 91 GLY H . . 3.540 2.884 2.464 3.568 0.028 13 0 "[ . 1 . 2]" 1
244 1 48 GLU HB2 1 50 TYR H . . 5.360 4.682 4.621 4.743 . 0 0 "[ . 1 . 2]" 1
245 1 48 GLU HB3 1 50 TYR H . . 5.500 4.530 4.477 4.577 . 0 0 "[ . 1 . 2]" 1
246 1 46 LEU HB2 1 47 ALA H . . 4.150 3.930 3.785 4.021 . 0 0 "[ . 1 . 2]" 1
247 1 47 ALA H 1 49 PRO HD2 . . 4.650 3.288 3.078 3.521 . 0 0 "[ . 1 . 2]" 1
248 1 45 LYS H 1 47 ALA H . . 4.540 4.041 3.917 4.110 . 0 0 "[ . 1 . 2]" 1
249 1 43 VAL H 1 44 LEU H . . 3.140 2.406 2.179 2.514 . 0 0 "[ . 1 . 2]" 1
250 1 40 ASP HB2 1 41 SER H . . 4.680 3.544 3.367 3.807 . 0 0 "[ . 1 . 2]" 1
251 1 40 ASP HB3 1 41 SER H . . 4.680 3.872 3.662 4.140 . 0 0 "[ . 1 . 2]" 1
252 1 32 ASN H 1 63 SER HB3 . . 4.940 4.455 3.595 4.938 . 0 0 "[ . 1 . 2]" 1
253 1 31 SER H 1 32 ASN H . . 4.590 4.516 4.466 4.554 . 0 0 "[ . 1 . 2]" 1
254 1 30 LEU HB3 1 31 SER H . . 4.260 3.640 3.304 3.818 . 0 0 "[ . 1 . 2]" 1
255 1 31 SER H 1 96 VAL HA . . 4.580 3.816 3.703 3.970 . 0 0 "[ . 1 . 2]" 1
256 1 24 LEU HB3 1 25 GLY H . . 4.550 3.192 1.901 4.109 . 0 0 "[ . 1 . 2]" 1
257 1 24 LEU H 1 24 LEU MD1 . . 4.440 3.431 1.983 4.381 . 0 0 "[ . 1 . 2]" 1
258 1 52 LYS H 1 70 GLU H . . 4.730 3.396 3.183 3.559 . 0 0 "[ . 1 . 2]" 1
259 1 53 ILE MG 1 56 TYR H . . 4.580 3.896 3.764 4.088 . 0 0 "[ . 1 . 2]" 1
260 1 56 TYR H 1 57 ILE H . . 4.400 4.388 4.361 4.416 0.016 5 0 "[ . 1 . 2]" 1
261 1 56 TYR QD 1 58 LEU H . . 4.600 3.646 3.440 3.845 . 0 0 "[ . 1 . 2]" 1
262 1 56 TYR QE 1 58 LEU H . . 4.960 3.702 3.442 3.869 . 0 0 "[ . 1 . 2]" 1
263 1 64 GLN H 1 64 GLN HG3 . . 4.400 3.374 2.847 3.886 . 0 0 "[ . 1 . 2]" 1
264 1 28 ILE HB 1 67 ILE H . . 4.340 2.644 2.462 2.838 . 0 0 "[ . 1 . 2]" 1
265 1 66 PHE QD 1 67 ILE H . . 4.630 4.280 3.601 4.610 . 0 0 "[ . 1 . 2]" 1
266 1 29 HIS HA 1 67 ILE H . . 4.850 4.133 3.831 4.381 . 0 0 "[ . 1 . 2]" 1
267 1 56 TYR HA 1 67 ILE H . . 5.480 4.685 4.448 4.811 . 0 0 "[ . 1 . 2]" 1
268 1 57 ILE H 1 67 ILE H . . 5.050 4.701 4.549 4.975 . 0 0 "[ . 1 . 2]" 1
269 1 66 PHE H 1 67 ILE H . . 5.280 4.237 4.074 4.510 . 0 0 "[ . 1 . 2]" 1
270 1 67 ILE MG 1 69 MET H . . 4.500 3.873 3.680 4.080 . 0 0 "[ . 1 . 2]" 1
271 1 74 ASP H 1 77 ALA MB . . 4.620 4.477 4.176 4.622 0.002 9 0 "[ . 1 . 2]" 1
272 1 76 MET H 1 78 MET H . . 4.840 4.063 3.900 4.283 . 0 0 "[ . 1 . 2]" 1
273 1 78 MET H 1 80 ASP H . . 5.100 3.816 3.620 3.933 . 0 0 "[ . 1 . 2]" 1
274 1 82 CYS H 1 96 VAL MG1 . . 4.500 3.611 3.315 3.807 . 0 0 "[ . 1 . 2]" 1
275 1 82 CYS H 1 83 LEU HB2 . . 4.740 4.516 4.268 4.736 . 0 0 "[ . 1 . 2]" 1
276 1 87 LEU H 1 87 LEU MD1 . . 4.350 4.021 3.932 4.099 . 0 0 "[ . 1 . 2]" 1
277 1 86 ALA H 1 87 LEU H . . 4.510 4.427 4.329 4.500 . 0 0 "[ . 1 . 2]" 1
278 1 88 TRP H 1 94 VAL MG1 . . 5.500 4.650 4.472 4.798 . 0 0 "[ . 1 . 2]" 1
279 1 87 LEU HG 1 88 TRP H . . 4.470 3.431 3.151 3.605 . 0 0 "[ . 1 . 2]" 1
280 1 27 VAL MG2 1 104 LYS H . . 4.350 3.520 2.876 3.762 . 0 0 "[ . 1 . 2]" 1
281 1 102 TYR HB2 1 104 LYS H . . 4.770 4.247 3.505 4.768 . 0 0 "[ . 1 . 2]" 1
282 1 104 LYS H 1 105 LEU H . . 4.690 4.007 1.799 4.454 . 0 0 "[ . 1 . 2]" 1
283 1 105 LEU H 1 106 VAL H . . 4.420 4.053 3.126 4.422 0.002 3 0 "[ . 1 . 2]" 1
284 1 34 PRO HB2 1 36 SER H . . 4.030 3.007 2.786 3.109 . 0 0 "[ . 1 . 2]" 1
285 1 48 GLU HA 1 50 TYR H . . 4.330 3.721 3.699 3.782 . 0 0 "[ . 1 . 2]" 1
286 1 47 ALA HA 1 50 TYR H . . 4.570 3.444 3.385 3.512 . 0 0 "[ . 1 . 2]" 1
287 1 47 ALA H 1 48 GLU HB2 . . 4.290 3.652 3.560 3.862 . 0 0 "[ . 1 . 2]" 1
288 1 45 LYS HA 1 47 ALA H . . 4.280 3.619 3.540 3.761 . 0 0 "[ . 1 . 2]" 1
289 1 47 ALA H 1 48 GLU HA . . 4.790 4.386 4.320 4.451 . 0 0 "[ . 1 . 2]" 1
290 1 30 LEU MD1 1 46 LEU H . . 5.410 5.081 4.820 5.330 . 0 0 "[ . 1 . 2]" 1
291 1 43 VAL MG1 1 46 LEU H . . 5.500 4.761 4.698 4.820 . 0 0 "[ . 1 . 2]" 1
292 1 46 LEU H 1 47 ALA H . . 3.220 2.440 2.321 2.545 . 0 0 "[ . 1 . 2]" 1
293 1 44 LEU MD1 1 45 LYS H . . 4.970 4.815 4.729 4.868 . 0 0 "[ . 1 . 2]" 1
294 1 44 LEU H 1 67 ILE MD . . 5.100 3.877 3.700 4.018 . 0 0 "[ . 1 . 2]" 1
295 1 39 SER H 1 42 ALA MB . . 4.550 2.860 2.445 3.115 . 0 0 "[ . 1 . 2]" 1
296 1 38 TYR H 1 38 TYR QE . . 4.710 3.830 3.751 3.973 . 0 0 "[ . 1 . 2]" 1
297 1 36 SER H 1 38 TYR QE . . 4.510 2.576 2.126 2.784 . 0 0 "[ . 1 . 2]" 1
298 1 32 ASN HD21 1 92 ARG HB3 . . 4.620 3.523 3.047 4.496 . 0 0 "[ . 1 . 2]" 1
299 1 32 ASN HD22 1 92 ARG HB3 . . 4.620 4.026 3.218 4.588 . 0 0 "[ . 1 . 2]" 1
300 1 26 ARG H 1 26 ARG HG3 . . 4.410 3.102 2.677 3.749 . 0 0 "[ . 1 . 2]" 1
301 1 26 ARG H 1 27 VAL H . . 4.180 4.118 3.979 4.190 0.010 10 0 "[ . 1 . 2]" 1
302 1 25 GLY H 1 26 ARG H . . 4.510 4.010 2.962 4.527 0.017 19 0 "[ . 1 . 2]" 1
303 1 52 LYS H 1 53 ILE H . . 4.590 4.474 4.435 4.527 . 0 0 "[ . 1 . 2]" 1
304 1 55 ASN H 1 56 TYR H . . 4.710 4.277 4.228 4.327 . 0 0 "[ . 1 . 2]" 1
305 1 55 ASN HD21 1 105 LEU HB2 . . 4.730 2.522 2.091 2.846 . 0 0 "[ . 1 . 2]" 1
306 1 55 ASN HD21 1 105 LEU HG . . 4.700 4.397 4.113 4.630 . 0 0 "[ . 1 . 2]" 1
307 1 59 MET H 1 66 PHE H . . 4.800 4.429 4.248 4.624 . 0 0 "[ . 1 . 2]" 1
308 1 62 LYS H 1 63 SER HA . . 4.790 4.683 4.505 4.778 . 0 0 "[ . 1 . 2]" 1
309 1 29 HIS HD2 1 65 ALA H . . 4.280 3.365 2.739 4.009 . 0 0 "[ . 1 . 2]" 1
310 1 66 PHE H 1 66 PHE QD . . 4.270 2.855 2.327 3.566 . 0 0 "[ . 1 . 2]" 1
311 1 56 TYR HA 1 68 GLU H . . 4.380 2.883 2.713 3.105 . 0 0 "[ . 1 . 2]" 1
312 1 54 LYS HB2 1 70 GLU H . . 4.660 4.504 4.346 4.637 . 0 0 "[ . 1 . 2]" 1
313 1 71 THR H 1 74 ASP H . . 4.840 3.946 3.787 4.189 . 0 0 "[ . 1 . 2]" 1
314 1 74 ASP H 1 76 MET H . . 4.790 4.159 3.786 4.563 . 0 0 "[ . 1 . 2]" 1
315 1 76 MET HG2 1 77 ALA H . . 4.490 4.401 4.291 4.466 . 0 0 "[ . 1 . 2]" 1
316 1 81 HIS H 1 83 LEU H . . 4.650 4.184 3.982 4.322 . 0 0 "[ . 1 . 2]" 1
317 1 81 HIS H 1 82 CYS H . . 3.380 2.730 2.614 2.831 . 0 0 "[ . 1 . 2]" 1
318 1 82 CYS HA 1 85 LYS H . . 3.760 3.676 3.466 3.761 0.001 15 0 "[ . 1 . 2]" 1
319 1 88 TRP HE3 1 89 PHE H . . 4.440 3.603 2.944 4.197 . 0 0 "[ . 1 . 2]" 1
320 1 89 PHE H 1 89 PHE QD . . 4.390 4.206 4.123 4.371 . 0 0 "[ . 1 . 2]" 1
321 1 89 PHE QD 1 90 GLN H . . 4.470 3.027 2.112 3.596 . 0 0 "[ . 1 . 2]" 1
322 1 38 TYR HB3 1 90 GLN HE22 . . 4.710 2.888 2.015 3.648 . 0 0 "[ . 1 . 2]" 1
323 1 89 PHE H 1 91 GLY H . . 4.560 3.833 3.127 4.481 . 0 0 "[ . 1 . 2]" 1
324 1 89 PHE HB3 1 92 ARG H . . 4.610 4.125 3.814 4.507 . 0 0 "[ . 1 . 2]" 1
325 1 88 TRP HB2 1 92 ARG H . . 5.500 5.238 4.980 5.499 . 0 0 "[ . 1 . 2]" 1
326 1 92 ARG H 1 92 ARG HD3 . . 5.500 5.364 4.796 5.501 0.001 19 0 "[ . 1 . 2]" 1
327 1 88 TRP HB3 1 92 ARG H . . 4.800 3.570 3.325 3.816 . 0 0 "[ . 1 . 2]" 1
328 1 88 TRP HA 1 92 ARG H . . 4.400 3.811 3.537 4.156 . 0 0 "[ . 1 . 2]" 1
329 1 88 TRP HH2 1 93 CYS H . . 4.340 3.907 3.582 4.338 . 0 0 "[ . 1 . 2]" 1
330 1 32 ASN HD21 1 93 CYS H . . 4.470 3.819 3.406 4.477 0.007 11 0 "[ . 1 . 2]" 1
331 1 30 LEU HA 1 95 LYS H . . 4.890 4.620 4.426 4.854 . 0 0 "[ . 1 . 2]" 1
332 1 32 ASN HB2 1 95 LYS H . . 4.400 3.616 3.312 4.047 . 0 0 "[ . 1 . 2]" 1
333 1 95 LYS HB3 1 96 VAL H . . 4.600 3.807 3.652 3.971 . 0 0 "[ . 1 . 2]" 1
334 1 29 HIS H 1 97 ASP H . . 4.530 3.390 3.074 3.584 . 0 0 "[ . 1 . 2]" 1
335 1 97 ASP H 1 98 LEU H . . 4.640 4.368 4.312 4.423 . 0 0 "[ . 1 . 2]" 1
336 1 29 HIS H 1 99 SER H . . 4.510 3.203 2.886 3.510 . 0 0 "[ . 1 . 2]" 1
337 1 27 VAL HB 1 99 SER H . . 4.520 3.408 2.928 3.635 . 0 0 "[ . 1 . 2]" 1
338 1 98 LEU HB3 1 99 SER H . . 4.280 3.619 3.255 3.801 . 0 0 "[ . 1 . 2]" 1
339 1 98 LEU HG 1 99 SER H . . 4.420 3.351 3.193 3.418 . 0 0 "[ . 1 . 2]" 1
340 1 98 LEU HB2 1 99 SER H . . 4.670 4.458 4.309 4.523 . 0 0 "[ . 1 . 2]" 1
341 1 101 LYS HG2 1 102 TYR H . . 4.490 3.438 1.932 4.490 0.000 4 0 "[ . 1 . 2]" 1
342 1 101 LYS HG3 1 102 TYR H . . 4.490 3.573 1.932 4.486 . 0 0 "[ . 1 . 2]" 1
343 1 101 LYS H 1 102 TYR H . . 4.550 2.746 1.816 4.585 0.035 1 0 "[ . 1 . 2]" 1
344 1 50 TYR H 1 50 TYR QE . . 4.950 4.787 4.609 4.895 . 0 0 "[ . 1 . 2]" 1
345 1 41 SER HA 1 43 VAL H . . 4.480 4.064 3.694 4.323 . 0 0 "[ . 1 . 2]" 1
346 1 43 VAL H 1 44 LEU HA . . 5.360 5.068 4.865 5.166 . 0 0 "[ . 1 . 2]" 1
347 1 38 TYR QD 1 43 VAL H . . 4.450 3.792 3.616 4.105 . 0 0 "[ . 1 . 2]" 1
348 1 38 TYR HB2 1 42 ALA H . . 4.830 4.447 4.256 4.707 . 0 0 "[ . 1 . 2]" 1
349 1 33 LEU H 1 63 SER HA . . 4.720 4.603 4.152 4.726 0.006 4 0 "[ . 1 . 2]" 1
350 1 23 GLU HB2 1 24 LEU H . . 4.650 4.211 2.826 4.651 0.001 2 0 "[ . 1 . 2]" 1
351 1 19 ASP HB2 1 20 GLN H . . 5.390 3.678 2.296 4.668 . 0 0 "[ . 1 . 2]" 1
352 1 19 ASP HB3 1 20 GLN H . . 5.390 3.353 2.048 4.562 . 0 0 "[ . 1 . 2]" 1
353 1 50 TYR HB2 1 51 GLY H . . 4.120 2.770 2.720 2.832 . 0 0 "[ . 1 . 2]" 1
354 1 50 TYR HB3 1 51 GLY H . . 4.540 3.608 3.564 3.663 . 0 0 "[ . 1 . 2]" 1
355 1 50 TYR H 1 51 GLY H . . 3.030 2.170 2.112 2.219 . 0 0 "[ . 1 . 2]" 1
356 1 51 GLY H 1 70 GLU H . . 5.500 5.503 5.495 5.535 0.035 20 0 "[ . 1 . 2]" 1
357 1 48 GLU HB3 1 51 GLY H . . 5.500 5.504 5.496 5.523 0.023 20 0 "[ . 1 . 2]" 1
358 1 49 PRO HD2 1 51 GLY H . . 5.030 4.874 4.794 4.954 . 0 0 "[ . 1 . 2]" 1
359 1 51 GLY HA2 1 52 LYS H . . 3.220 2.426 2.396 2.451 . 0 0 "[ . 1 . 2]" 1
360 1 54 LYS H 1 70 GLU H . . 4.710 3.970 3.796 4.098 . 0 0 "[ . 1 . 2]" 1
361 1 54 LYS HD2 1 55 ASN H . . 5.470 4.921 4.786 5.208 . 0 0 "[ . 1 . 2]" 1
362 1 53 ILE HA 1 55 ASN H . . 4.490 3.369 3.274 3.541 . 0 0 "[ . 1 . 2]" 1
363 1 57 ILE H 1 67 ILE HA . . 4.510 3.423 3.263 3.734 . 0 0 "[ . 1 . 2]" 1
364 1 58 LEU H 1 58 LEU MD2 . . 4.320 3.416 3.287 3.552 . 0 0 "[ . 1 . 2]" 1
365 1 58 LEU HA 1 59 MET H . . 3.120 2.207 2.194 2.223 . 0 0 "[ . 1 . 2]" 1
366 1 64 GLN H 1 64 GLN HG2 . . 4.400 3.894 3.453 4.285 . 0 0 "[ . 1 . 2]" 1
367 1 59 MET H 1 64 GLN H . . 4.480 4.112 3.896 4.295 . 0 0 "[ . 1 . 2]" 1
368 1 64 GLN H 1 65 ALA H . . 4.780 4.464 4.304 4.529 . 0 0 "[ . 1 . 2]" 1
369 1 63 SER HB3 1 64 GLN H . . 4.930 4.366 4.196 4.642 . 0 0 "[ . 1 . 2]" 1
370 1 30 LEU HB3 1 65 ALA H . . 4.650 4.422 4.221 4.639 . 0 0 "[ . 1 . 2]" 1
371 1 31 SER HA 1 65 ALA H . . 4.240 4.114 3.945 4.244 0.004 1 0 "[ . 1 . 2]" 1
372 1 70 GLU H 1 70 GLU HB3 . . 3.430 2.523 2.436 2.609 . 0 0 "[ . 1 . 2]" 1
373 1 71 THR HA 1 72 ARG H . . 3.510 2.454 2.219 2.708 . 0 0 "[ . 1 . 2]" 1
374 1 28 ILE HG13 1 75 ALA H . . 5.410 5.268 4.866 5.405 . 0 0 "[ . 1 . 2]" 1
375 1 73 GLU HA 1 77 ALA H . . 4.570 4.161 3.759 4.409 . 0 0 "[ . 1 . 2]" 1
376 1 75 ALA HA 1 77 ALA H . . 5.020 4.459 4.117 4.841 . 0 0 "[ . 1 . 2]" 1
377 1 74 ASP HA 1 77 ALA H . . 3.990 3.452 3.229 3.697 . 0 0 "[ . 1 . 2]" 1
378 1 77 ALA H 1 79 VAL H . . 4.780 4.662 4.466 4.781 0.001 9 0 "[ . 1 . 2]" 1
379 1 50 TYR QD 1 77 ALA H . . 4.900 4.519 4.184 4.858 . 0 0 "[ . 1 . 2]" 1
380 1 75 ALA H 1 77 ALA H . . 5.140 4.294 4.092 4.558 . 0 0 "[ . 1 . 2]" 1
381 1 78 MET H 1 79 VAL H . . 3.480 2.776 2.586 2.918 . 0 0 "[ . 1 . 2]" 1
382 1 78 MET HB3 1 79 VAL H . . 4.230 2.173 2.029 2.313 . 0 0 "[ . 1 . 2]" 1
383 1 76 MET HA 1 80 ASP H . . 4.470 4.130 3.942 4.291 . 0 0 "[ . 1 . 2]" 1
384 1 80 ASP HB3 1 81 HIS H . . 3.670 2.614 2.381 2.951 . 0 0 "[ . 1 . 2]" 1
385 1 78 MET HA 1 81 HIS H . . 4.370 3.553 3.336 3.694 . 0 0 "[ . 1 . 2]" 1
386 1 81 HIS H 1 81 HIS HB3 . . 3.310 2.935 2.519 3.233 . 0 0 "[ . 1 . 2]" 1
387 1 82 CYS H 1 84 LYS H . . 4.520 4.290 4.135 4.399 . 0 0 "[ . 1 . 2]" 1
388 1 87 LEU H 1 88 TRP H . . 4.830 4.412 4.346 4.511 . 0 0 "[ . 1 . 2]" 1
389 1 87 LEU HB2 1 88 TRP H . . 4.730 4.498 4.407 4.551 . 0 0 "[ . 1 . 2]" 1
390 1 98 LEU HA 1 99 SER H . . 3.190 2.155 2.138 2.214 . 0 0 "[ . 1 . 2]" 1
391 1 104 LYS H 1 104 LYS HG3 . . 4.650 3.694 2.141 4.401 . 0 0 "[ . 1 . 2]" 1
392 1 102 TYR HB3 1 104 LYS H . . 4.770 3.389 2.911 3.942 . 0 0 "[ . 1 . 2]" 1
393 1 104 LYS H 1 105 LEU MD2 . . 4.760 4.594 4.365 4.755 . 0 0 "[ . 1 . 2]" 1
394 1 105 LEU HB3 1 106 VAL H . . 4.220 3.646 1.995 4.166 . 0 0 "[ . 1 . 2]" 1
395 1 105 LEU HB2 1 106 VAL H . . 4.520 4.262 3.157 4.469 . 0 0 "[ . 1 . 2]" 1
396 1 25 GLY HA3 1 103 LYS HB2 . . 5.070 3.987 1.996 4.679 . 0 0 "[ . 1 . 2]" 1
397 1 25 GLY HA3 1 103 LYS HB3 . . 5.070 3.813 2.184 4.901 . 0 0 "[ . 1 . 2]" 1
398 1 25 GLY HA2 1 103 LYS HB2 . . 5.070 4.503 2.535 5.068 . 0 0 "[ . 1 . 2]" 1
399 1 25 GLY HA2 1 103 LYS HB3 . . 5.070 3.973 2.276 5.054 . 0 0 "[ . 1 . 2]" 1
400 1 67 ILE HA 1 67 ILE MD . . 3.970 3.856 3.804 3.908 . 0 0 "[ . 1 . 2]" 1
401 1 44 LEU HA 1 67 ILE MD . . 3.570 1.973 1.873 2.102 . 0 0 "[ . 1 . 2]" 1
402 1 56 TYR HB3 1 67 ILE MD . . 4.640 4.551 4.362 4.641 0.001 17 0 "[ . 1 . 2]" 1
403 1 28 ILE HB 1 67 ILE MD . . 4.050 3.738 3.513 3.937 . 0 0 "[ . 1 . 2]" 1
404 1 46 LEU HG 1 67 ILE MD . . 3.870 3.228 3.106 3.401 . 0 0 "[ . 1 . 2]" 1
405 1 67 ILE HB 1 67 ILE MD . . 3.150 2.346 2.225 2.449 . 0 0 "[ . 1 . 2]" 1
406 1 47 ALA MB 1 67 ILE MD . . 2.960 2.330 2.055 2.672 . 0 0 "[ . 1 . 2]" 1
407 1 53 ILE HG12 1 67 ILE MD . . 4.430 3.953 3.694 4.180 . 0 0 "[ . 1 . 2]" 1
408 1 58 LEU MD2 1 67 ILE MD . . 4.710 4.002 3.891 4.111 . 0 0 "[ . 1 . 2]" 1
409 1 57 ILE MD 1 66 PHE QD . . 4.880 4.591 4.156 4.883 0.003 19 0 "[ . 1 . 2]" 1
410 1 57 ILE HA 1 57 ILE MD . . 4.070 2.317 2.124 2.399 . 0 0 "[ . 1 . 2]" 1
411 1 57 ILE MD 1 66 PHE HB2 . . 4.850 4.633 4.494 4.769 . 0 0 "[ . 1 . 2]" 1
412 1 57 ILE HB 1 57 ILE MD . . 3.400 3.192 3.178 3.208 . 0 0 "[ . 1 . 2]" 1
413 1 57 ILE MD 1 105 LEU HB3 . . 3.870 3.241 3.003 3.603 . 0 0 "[ . 1 . 2]" 1
414 1 57 ILE MD 1 105 LEU MD2 . . 3.680 3.526 3.107 3.684 0.004 5 0 "[ . 1 . 2]" 1
415 1 57 ILE H 1 57 ILE MD . . 4.570 4.361 4.273 4.455 . 0 0 "[ . 1 . 2]" 1
416 1 97 ASP H 1 97 ASP HB3 . . 4.090 3.643 3.331 3.853 . 0 0 "[ . 1 . 2]" 1
417 1 97 ASP H 1 97 ASP HB2 . . 4.090 3.033 2.546 3.857 . 0 0 "[ . 1 . 2]" 1
418 1 29 HIS HB3 1 97 ASP HB2 . . 4.730 3.709 3.181 4.297 . 0 0 "[ . 1 . 2]" 1
419 1 28 ILE H 1 28 ILE MD . . 4.180 3.782 3.530 3.960 . 0 0 "[ . 1 . 2]" 1
420 1 28 ILE MD 1 76 MET H . . 4.340 4.197 4.065 4.342 0.002 2 0 "[ . 1 . 2]" 1
421 1 28 ILE MD 1 79 VAL H . . 4.060 2.950 2.674 3.168 . 0 0 "[ . 1 . 2]" 1
422 1 28 ILE HA 1 28 ILE MD . . 3.370 2.178 2.037 2.358 . 0 0 "[ . 1 . 2]" 1
423 1 28 ILE MD 1 75 ALA HA . . 3.220 2.057 1.877 2.271 . 0 0 "[ . 1 . 2]" 1
424 1 28 ILE MD 1 69 MET HG2 . . 4.360 3.469 2.978 4.117 . 0 0 "[ . 1 . 2]" 1
425 1 28 ILE HB 1 28 ILE MD . . 3.550 3.205 3.188 3.219 . 0 0 "[ . 1 . 2]" 1
426 1 28 ILE MD 1 78 MET ME . . 3.900 3.678 3.300 3.899 . 0 0 "[ . 1 . 2]" 1
427 1 28 ILE MD 1 29 HIS H . . 4.200 3.724 3.508 3.907 . 0 0 "[ . 1 . 2]" 1
428 1 28 ILE MD 1 98 LEU HB2 . . 4.260 4.200 3.934 4.266 0.006 9 0 "[ . 1 . 2]" 1
429 1 72 ARG HB2 1 72 ARG HD2 . . 3.680 2.932 2.197 3.433 . 0 0 "[ . 1 . 2]" 1
430 1 24 LEU HB2 1 72 ARG HD2 . . 4.660 3.777 2.292 4.574 . 0 0 "[ . 1 . 2]" 1
431 1 26 ARG HD2 1 71 THR HA . . 4.240 3.466 2.273 4.239 . 0 0 "[ . 1 . 2]" 1
432 1 72 ARG HB2 1 72 ARG HD3 . . 3.680 2.180 1.995 2.656 . 0 0 "[ . 1 . 2]" 1
433 1 26 ARG HD3 1 71 THR HA . . 4.240 3.113 2.469 4.173 . 0 0 "[ . 1 . 2]" 1
434 1 30 LEU HB3 1 65 ALA MB . . 4.130 3.629 3.443 3.872 . 0 0 "[ . 1 . 2]" 1
435 1 92 ARG HB3 1 92 ARG HD2 . . 3.990 2.620 2.064 3.519 . 0 0 "[ . 1 . 2]" 1
436 1 34 PRO HA 1 92 ARG HD3 . . 4.350 3.794 2.286 4.346 . 0 0 "[ . 1 . 2]" 1
437 1 92 ARG HB3 1 92 ARG HD3 . . 3.990 2.566 2.069 2.832 . 0 0 "[ . 1 . 2]" 1
438 1 87 LEU HB3 1 96 VAL MG1 . . 4.160 3.093 2.666 3.623 . 0 0 "[ . 1 . 2]" 1
439 1 30 LEU HB2 1 65 ALA H . . 4.070 3.140 2.917 3.383 . 0 0 "[ . 1 . 2]" 1
440 1 87 LEU HB2 1 96 VAL MG1 . . 4.160 3.060 2.770 3.401 . 0 0 "[ . 1 . 2]" 1
441 1 92 ARG HA 1 92 ARG HD2 . . 4.350 4.094 3.574 4.347 . 0 0 "[ . 1 . 2]" 1
442 1 92 ARG HA 1 92 ARG HD3 . . 4.350 3.497 2.525 4.295 . 0 0 "[ . 1 . 2]" 1
443 1 58 LEU H 1 58 LEU HB3 . . 3.860 3.238 3.147 3.316 . 0 0 "[ . 1 . 2]" 1
444 1 56 TYR QE 1 58 LEU HB3 . . 4.220 4.111 3.905 4.214 . 0 0 "[ . 1 . 2]" 1
445 1 56 TYR QE 1 58 LEU HB2 . . 4.150 2.497 2.298 2.597 . 0 0 "[ . 1 . 2]" 1
446 1 57 ILE H 1 57 ILE HB . . 3.940 2.694 2.642 2.774 . 0 0 "[ . 1 . 2]" 1
447 1 57 ILE HB 1 66 PHE H . . 4.110 2.389 2.286 2.614 . 0 0 "[ . 1 . 2]" 1
448 1 57 ILE HB 1 66 PHE QD . . 4.070 2.764 2.400 3.317 . 0 0 "[ . 1 . 2]" 1
449 1 57 ILE HB 1 66 PHE HB2 . . 3.650 2.159 2.041 2.245 . 0 0 "[ . 1 . 2]" 1
450 1 55 ASN HB2 1 56 TYR H . . 4.260 4.204 4.135 4.263 0.003 9 0 "[ . 1 . 2]" 1
451 1 55 ASN HB2 1 68 GLU HB3 . . 4.200 3.060 2.661 3.208 . 0 0 "[ . 1 . 2]" 1
452 1 55 ASN HB3 1 105 LEU HB2 . . 4.240 2.494 1.998 2.912 . 0 0 "[ . 1 . 2]" 1
453 1 98 LEU HB3 1 98 LEU MD2 . . 3.350 2.043 1.985 2.125 . 0 0 "[ . 1 . 2]" 1
454 1 98 LEU HB2 1 98 LEU MD1 . . 3.370 1.989 1.953 2.112 . 0 0 "[ . 1 . 2]" 1
455 1 83 LEU HB2 1 84 LYS H . . 4.000 2.418 2.298 2.649 . 0 0 "[ . 1 . 2]" 1
456 1 83 LEU HB2 1 84 LYS HD2 . . 4.220 3.356 2.462 3.950 . 0 0 "[ . 1 . 2]" 1
457 1 104 LYS HB2 1 104 LYS HE2 . . 5.410 4.206 2.990 5.240 . 0 0 "[ . 1 . 2]" 1
458 1 104 LYS HB2 1 104 LYS HE3 . . 5.410 3.947 2.048 5.183 . 0 0 "[ . 1 . 2]" 1
459 1 104 LYS HB3 1 104 LYS HE2 . . 5.410 4.096 2.186 4.907 . 0 0 "[ . 1 . 2]" 1
460 1 104 LYS HB3 1 104 LYS HE3 . . 5.410 3.997 2.698 5.392 . 0 0 "[ . 1 . 2]" 1
461 1 53 ILE MG 1 56 TYR HB2 . . 4.580 3.565 3.433 3.865 . 0 0 "[ . 1 . 2]" 1
462 1 56 TYR HB3 1 67 ILE HG13 . . 5.100 4.972 4.737 5.098 . 0 0 "[ . 1 . 2]" 1
463 1 67 ILE H 1 67 ILE HB . . 3.760 2.637 2.502 2.909 . 0 0 "[ . 1 . 2]" 1
464 1 28 ILE HB 1 67 ILE HB . . 3.450 2.106 2.001 2.277 . 0 0 "[ . 1 . 2]" 1
465 1 47 ALA MB 1 67 ILE HB . . 4.160 3.407 3.177 3.675 . 0 0 "[ . 1 . 2]" 1
466 1 77 ALA HA 1 80 ASP HB2 . . 3.670 2.914 2.388 3.412 . 0 0 "[ . 1 . 2]" 1
467 1 77 ALA HA 1 80 ASP HB3 . . 3.670 3.293 2.884 3.667 . 0 0 "[ . 1 . 2]" 1
468 1 46 LEU HB3 1 47 ALA H . . 4.720 4.515 4.415 4.546 . 0 0 "[ . 1 . 2]" 1
469 1 46 LEU H 1 46 LEU HB2 . . 4.010 3.441 3.414 3.475 . 0 0 "[ . 1 . 2]" 1
470 1 41 SER HA 1 44 LEU HB3 . . 4.580 4.290 4.052 4.467 . 0 0 "[ . 1 . 2]" 1
471 1 44 LEU HB3 1 53 ILE MD . . 4.070 1.939 1.816 2.056 . 0 0 "[ . 1 . 2]" 1
472 1 27 VAL MG2 1 102 TYR HB2 . . 4.320 2.587 1.980 3.148 . 0 0 "[ . 1 . 2]" 1
473 1 27 VAL MG1 1 102 TYR HB2 . . 4.500 2.896 2.426 3.252 . 0 0 "[ . 1 . 2]" 1
474 1 102 TYR HB2 1 105 LEU MD2 . . 4.180 3.655 2.017 4.179 . 0 0 "[ . 1 . 2]" 1
475 1 27 VAL MG1 1 102 TYR HB3 . . 4.500 3.883 2.971 4.452 . 0 0 "[ . 1 . 2]" 1
476 1 27 VAL MG2 1 102 TYR HB3 . . 4.320 3.210 2.369 3.821 . 0 0 "[ . 1 . 2]" 1
477 1 28 ILE H 1 28 ILE HB . . 3.510 2.447 2.385 2.509 . 0 0 "[ . 1 . 2]" 1
478 1 32 ASN HB2 1 94 VAL HA . . 4.110 3.965 3.740 4.107 . 0 0 "[ . 1 . 2]" 1
479 1 73 GLU H 1 73 GLU HG3 . . 4.160 3.161 2.128 4.127 . 0 0 "[ . 1 . 2]" 1
480 1 73 GLU HA 1 73 GLU HG3 . . 3.950 3.119 2.191 3.802 . 0 0 "[ . 1 . 2]" 1
481 1 56 TYR QD 1 58 LEU HG . . 4.620 4.506 4.341 4.603 . 0 0 "[ . 1 . 2]" 1
482 1 47 ALA H 1 50 TYR QD . . 4.270 3.840 3.721 4.134 . 0 0 "[ . 1 . 2]" 1
483 1 48 GLU HA 1 48 GLU HG2 . . 3.860 2.129 2.045 2.281 . 0 0 "[ . 1 . 2]" 1
484 1 66 PHE QD 1 102 TYR QD . . 4.970 3.854 2.984 4.720 . 0 0 "[ . 1 . 2]" 1
485 1 66 PHE QE 1 102 TYR QD . . 5.310 3.855 3.080 4.552 . 0 0 "[ . 1 . 2]" 1
486 1 70 GLU H 1 70 GLU HG3 . . 4.590 4.525 4.445 4.592 0.002 5 0 "[ . 1 . 2]" 1
487 1 45 LYS HA 1 48 GLU HG3 . . 4.180 2.761 2.189 3.125 . 0 0 "[ . 1 . 2]" 1
488 1 70 GLU HG3 1 71 THR MG . . 3.870 3.842 3.776 3.874 0.004 4 0 "[ . 1 . 2]" 1
489 1 70 GLU H 1 70 GLU HG2 . . 4.440 4.416 4.376 4.435 . 0 0 "[ . 1 . 2]" 1
490 1 70 GLU HA 1 70 GLU HG2 . . 3.830 2.734 2.610 2.850 . 0 0 "[ . 1 . 2]" 1
491 1 54 LYS HD3 1 70 GLU HG2 . . 4.040 3.061 2.712 3.203 . 0 0 "[ . 1 . 2]" 1
492 1 100 GLU HA 1 100 GLU HG3 . . 4.040 3.094 2.279 3.986 . 0 0 "[ . 1 . 2]" 1
493 1 64 GLN HB3 1 65 ALA H . . 4.180 2.562 2.301 2.917 . 0 0 "[ . 1 . 2]" 1
494 1 64 GLN HB2 1 65 ALA H . . 4.180 3.805 3.474 4.083 . 0 0 "[ . 1 . 2]" 1
495 1 79 VAL HA 1 79 VAL MG2 . . 3.290 3.194 3.180 3.202 . 0 0 "[ . 1 . 2]" 1
496 1 79 VAL HA 1 96 VAL MG1 . . 3.650 2.363 1.982 2.909 . 0 0 "[ . 1 . 2]" 1
497 1 104 LYS HB3 1 105 LEU H . . 4.060 3.656 2.419 4.056 . 0 0 "[ . 1 . 2]" 1
498 1 54 LYS H 1 54 LYS HB3 . . 3.650 3.298 3.203 3.351 . 0 0 "[ . 1 . 2]" 1
499 1 78 MET HA 1 78 MET HG2 . . 3.820 2.878 2.398 3.101 . 0 0 "[ . 1 . 2]" 1
500 1 84 LYS HB2 1 84 LYS HD3 . . 3.860 2.209 2.018 2.468 . 0 0 "[ . 1 . 2]" 1
501 1 84 LYS H 1 84 LYS HB3 . . 3.650 3.587 3.544 3.634 . 0 0 "[ . 1 . 2]" 1
502 1 43 VAL HA 1 89 PHE HZ . . 4.770 3.731 3.073 4.387 . 0 0 "[ . 1 . 2]" 1
503 1 69 MET HG2 1 75 ALA HA . . 4.200 2.982 2.462 3.665 . 0 0 "[ . 1 . 2]" 1
504 1 28 ILE MD 1 69 MET HG3 . . 4.360 3.305 2.720 3.834 . 0 0 "[ . 1 . 2]" 1
505 1 67 ILE MG 1 69 MET HG3 . . 4.670 4.500 4.185 4.649 . 0 0 "[ . 1 . 2]" 1
506 1 85 LYS H 1 85 LYS HB3 . . 4.130 3.160 2.626 3.809 . 0 0 "[ . 1 . 2]" 1
507 1 90 GLN H 1 90 GLN HG2 . . 4.480 3.526 2.707 4.269 . 0 0 "[ . 1 . 2]" 1
508 1 89 PHE QD 1 90 GLN HG2 . . 4.740 3.659 2.593 4.371 . 0 0 "[ . 1 . 2]" 1
509 1 90 GLN HA 1 90 GLN HG3 . . 4.010 3.481 3.210 3.806 . 0 0 "[ . 1 . 2]" 1
510 1 89 PHE QD 1 90 GLN HG3 . . 4.740 3.775 2.886 4.513 . 0 0 "[ . 1 . 2]" 1
511 1 31 SER HB2 1 32 ASN H . . 3.790 3.415 2.277 3.791 0.001 8 0 "[ . 1 . 2]" 1
512 1 31 SER HB2 1 95 LYS HB3 . . 4.640 3.077 2.522 4.531 . 0 0 "[ . 1 . 2]" 1
513 1 31 SER HB3 1 32 ASN H . . 3.790 2.756 2.121 3.782 . 0 0 "[ . 1 . 2]" 1
514 1 52 LYS H 1 52 LYS HB2 . . 3.520 2.134 2.072 2.250 . 0 0 "[ . 1 . 2]" 1
515 1 94 VAL H 1 94 VAL HB . . 3.540 2.607 2.489 2.892 . 0 0 "[ . 1 . 2]" 1
516 1 27 VAL HB 1 99 SER HB2 . . 4.540 3.632 2.498 4.390 . 0 0 "[ . 1 . 2]" 1
517 1 27 VAL MG1 1 99 SER HB2 . . 4.130 2.937 1.981 3.978 . 0 0 "[ . 1 . 2]" 1
518 1 27 VAL HB 1 99 SER HB3 . . 4.540 2.815 2.066 4.357 . 0 0 "[ . 1 . 2]" 1
519 1 27 VAL MG1 1 99 SER HB3 . . 4.130 2.813 2.104 3.618 . 0 0 "[ . 1 . 2]" 1
520 1 42 ALA MB 1 43 VAL HA . . 4.180 3.855 3.781 3.897 . 0 0 "[ . 1 . 2]" 1
521 1 43 VAL HA 1 46 LEU MD1 . . 3.470 3.411 3.081 3.471 0.001 13 0 "[ . 1 . 2]" 1
522 1 61 MET HA 1 61 MET HG2 . . 4.230 2.682 2.036 3.585 . 0 0 "[ . 1 . 2]" 1
523 1 61 MET HA 1 61 MET HG3 . . 4.230 2.950 2.061 3.657 . 0 0 "[ . 1 . 2]" 1
524 1 45 LYS HB2 1 46 LEU H . . 5.050 3.399 3.044 4.013 . 0 0 "[ . 1 . 2]" 1
525 1 45 LYS HB3 1 46 LEU H . . 5.050 3.423 3.185 3.867 . 0 0 "[ . 1 . 2]" 1
526 1 45 LYS H 1 45 LYS HB3 . . 3.500 3.285 2.338 3.450 . 0 0 "[ . 1 . 2]" 1
527 1 27 VAL H 1 27 VAL HB . . 3.820 2.712 2.659 2.780 . 0 0 "[ . 1 . 2]" 1
528 1 76 MET H 1 76 MET HG3 . . 3.590 3.146 2.995 3.337 . 0 0 "[ . 1 . 2]" 1
529 1 76 MET HA 1 76 MET HG3 . . 3.910 3.762 3.734 3.802 . 0 0 "[ . 1 . 2]" 1
530 1 73 GLU HA 1 76 MET HG3 . . 4.450 3.380 2.936 3.684 . 0 0 "[ . 1 . 2]" 1
531 1 72 ARG HG2 1 76 MET HG3 . . 4.360 2.496 2.053 3.305 . 0 0 "[ . 1 . 2]" 1
532 1 76 MET HG3 1 98 LEU MD1 . . 4.130 3.965 3.722 4.131 0.001 19 0 "[ . 1 . 2]" 1
533 1 76 MET HA 1 76 MET HG2 . . 3.670 2.627 2.549 2.709 . 0 0 "[ . 1 . 2]" 1
534 1 76 MET HG2 1 98 LEU MD1 . . 3.940 2.445 2.153 2.685 . 0 0 "[ . 1 . 2]" 1
535 1 59 MET HA 1 59 MET HG2 . . 4.050 2.479 2.314 2.841 . 0 0 "[ . 1 . 2]" 1
536 1 59 MET H 1 59 MET HG3 . . 4.670 2.767 2.169 3.318 . 0 0 "[ . 1 . 2]" 1
537 1 59 MET HA 1 59 MET HG3 . . 4.050 3.127 2.741 3.633 . 0 0 "[ . 1 . 2]" 1
538 1 79 VAL H 1 79 VAL HB . . 3.690 3.605 3.581 3.616 . 0 0 "[ . 1 . 2]" 1
539 1 73 GLU HA 1 76 MET HB2 . . 4.310 2.942 2.616 3.261 . 0 0 "[ . 1 . 2]" 1
540 1 34 PRO HB2 1 38 TYR QD . . 4.280 3.562 3.348 3.743 . 0 0 "[ . 1 . 2]" 1
541 1 34 PRO HB2 1 38 TYR QE . . 4.030 2.687 2.283 2.954 . 0 0 "[ . 1 . 2]" 1
542 1 68 GLU HB2 1 105 LEU MD1 . . 4.080 2.836 2.414 3.357 . 0 0 "[ . 1 . 2]" 1
543 1 69 MET HB3 1 75 ALA MB . . 4.470 3.536 3.205 3.795 . 0 0 "[ . 1 . 2]" 1
544 1 26 ARG HB2 1 72 ARG HA . . 4.590 4.111 2.725 4.607 0.017 19 0 "[ . 1 . 2]" 1
545 1 88 TRP H 1 88 TRP HD1 . . 3.890 3.212 2.858 3.571 . 0 0 "[ . 1 . 2]" 1
546 1 28 ILE MD 1 78 MET HB2 . . 4.290 2.928 2.505 3.295 . 0 0 "[ . 1 . 2]" 1
547 1 28 ILE MD 1 78 MET HB3 . . 4.290 2.014 1.943 2.163 . 0 0 "[ . 1 . 2]" 1
548 1 34 PRO HA 1 92 ARG HD2 . . 4.350 2.997 2.179 3.828 . 0 0 "[ . 1 . 2]" 1
549 1 41 SER HB2 1 44 LEU MD1 . . 5.230 4.312 4.139 4.610 . 0 0 "[ . 1 . 2]" 1
550 1 41 SER HB3 1 44 LEU MD1 . . 5.230 4.524 3.654 4.739 . 0 0 "[ . 1 . 2]" 1
551 1 32 ASN HB3 1 94 VAL HA . . 4.110 2.321 2.065 2.564 . 0 0 "[ . 1 . 2]" 1
552 1 94 VAL HA 1 94 VAL MG2 . . 3.220 2.449 2.355 2.500 . 0 0 "[ . 1 . 2]" 1
553 1 52 LYS HB3 1 70 GLU HB3 . . 4.580 4.084 3.643 4.556 . 0 0 "[ . 1 . 2]" 1
554 1 52 LYS H 1 70 GLU HB3 . . 4.170 2.641 2.491 2.821 . 0 0 "[ . 1 . 2]" 1
555 1 70 GLU H 1 70 GLU HB2 . . 3.380 2.556 2.440 2.682 . 0 0 "[ . 1 . 2]" 1
556 1 52 LYS H 1 70 GLU HB2 . . 4.100 2.734 2.609 3.003 . 0 0 "[ . 1 . 2]" 1
557 1 54 LYS HB2 1 70 GLU HB2 . . 4.350 4.252 4.007 4.362 0.012 17 0 "[ . 1 . 2]" 1
558 1 52 LYS HB3 1 70 GLU HB2 . . 3.910 2.593 2.235 3.062 . 0 0 "[ . 1 . 2]" 1
559 1 33 LEU H 1 63 SER HB2 . . 4.030 3.512 2.314 4.021 . 0 0 "[ . 1 . 2]" 1
560 1 33 LEU HB2 1 63 SER HB2 . . 4.780 4.082 2.717 4.494 . 0 0 "[ . 1 . 2]" 1
561 1 33 LEU H 1 63 SER HB3 . . 4.030 2.645 2.072 4.029 . 0 0 "[ . 1 . 2]" 1
562 1 53 ILE HA 1 54 LYS H . . 3.170 2.222 2.196 2.232 . 0 0 "[ . 1 . 2]" 1
563 1 53 ILE HA 1 53 ILE HG13 . . 3.700 2.525 2.359 2.652 . 0 0 "[ . 1 . 2]" 1
564 1 53 ILE HA 1 54 LYS HB2 . . 4.330 4.279 4.260 4.294 . 0 0 "[ . 1 . 2]" 1
565 1 53 ILE HA 1 53 ILE HG12 . . 3.740 2.958 2.719 3.277 . 0 0 "[ . 1 . 2]" 1
566 1 96 VAL HA 1 97 ASP H . . 3.170 2.151 2.140 2.176 . 0 0 "[ . 1 . 2]" 1
567 1 30 LEU HA 1 96 VAL HA . . 4.050 2.660 2.566 2.782 . 0 0 "[ . 1 . 2]" 1
568 1 30 LEU MD2 1 96 VAL HA . . 3.890 2.566 2.176 2.875 . 0 0 "[ . 1 . 2]" 1
569 1 57 ILE HA 1 58 LEU H . . 2.980 2.142 2.140 2.154 . 0 0 "[ . 1 . 2]" 1
570 1 57 ILE HA 1 57 ILE HG12 . . 3.800 2.588 2.493 2.685 . 0 0 "[ . 1 . 2]" 1
571 1 73 GLU HA 1 73 GLU HG2 . . 3.950 2.597 2.095 3.624 . 0 0 "[ . 1 . 2]" 1
572 1 73 GLU HA 1 76 MET H . . 4.140 3.992 3.660 4.139 . 0 0 "[ . 1 . 2]" 1
573 1 41 SER HA 1 44 LEU HB2 . . 3.810 2.767 2.435 2.991 . 0 0 "[ . 1 . 2]" 1
574 1 41 SER HA 1 44 LEU HG . . 3.800 2.692 2.448 2.916 . 0 0 "[ . 1 . 2]" 1
575 1 45 LYS HA 1 45 LYS HD2 . . 5.430 4.429 2.779 4.934 . 0 0 "[ . 1 . 2]" 1
576 1 45 LYS HA 1 45 LYS HD3 . . 5.430 4.254 3.484 4.550 . 0 0 "[ . 1 . 2]" 1
577 1 56 TYR HB3 1 67 ILE HA . . 4.390 3.544 3.246 3.724 . 0 0 "[ . 1 . 2]" 1
578 1 67 ILE HA 1 68 GLU H . . 3.280 2.150 2.140 2.177 . 0 0 "[ . 1 . 2]" 1
579 1 81 HIS HA 1 81 HIS HD2 . . 4.180 3.545 2.704 4.123 . 0 0 "[ . 1 . 2]" 1
580 1 81 HIS HA 1 84 LYS HB2 . . 4.010 3.535 3.206 3.770 . 0 0 "[ . 1 . 2]" 1
581 1 81 HIS HA 1 84 LYS HD3 . . 4.310 3.333 2.610 4.053 . 0 0 "[ . 1 . 2]" 1
582 1 56 TYR QE 1 58 LEU HG . . 3.900 3.633 3.415 3.787 . 0 0 "[ . 1 . 2]" 1
583 1 58 LEU H 1 58 LEU HG . . 4.790 4.655 4.609 4.728 . 0 0 "[ . 1 . 2]" 1
584 1 54 LYS HA 1 54 LYS HD2 . . 3.500 2.838 2.385 3.381 . 0 0 "[ . 1 . 2]" 1
585 1 54 LYS HD3 1 70 GLU HA . . 3.810 2.462 2.000 3.002 . 0 0 "[ . 1 . 2]" 1
586 1 70 GLU HA 1 70 GLU HG3 . . 3.890 2.883 2.811 2.992 . 0 0 "[ . 1 . 2]" 1
587 1 54 LYS HB2 1 70 GLU HA . . 3.380 2.856 2.658 2.925 . 0 0 "[ . 1 . 2]" 1
588 1 40 ASP HA 1 58 LEU HG . . 4.170 2.501 2.305 2.637 . 0 0 "[ . 1 . 2]" 1
589 1 78 MET HA 1 81 HIS HB3 . . 4.500 3.465 3.065 3.886 . 0 0 "[ . 1 . 2]" 1
590 1 78 MET HA 1 78 MET HG3 . . 3.820 2.526 2.265 3.586 . 0 0 "[ . 1 . 2]" 1
591 1 48 GLU HA 1 51 GLY H . . 4.100 3.739 3.675 3.794 . 0 0 "[ . 1 . 2]" 1
592 1 48 GLU HA 1 48 GLU HG3 . . 3.860 3.389 3.101 3.555 . 0 0 "[ . 1 . 2]" 1
593 1 47 ALA MB 1 53 ILE HG13 . . 3.980 3.175 2.563 3.554 . 0 0 "[ . 1 . 2]" 1
594 1 47 ALA MB 1 53 ILE HG12 . . 4.100 2.874 2.588 3.128 . 0 0 "[ . 1 . 2]" 1
595 1 72 ARG HA 1 72 ARG HG3 . . 4.000 2.308 2.054 2.583 . 0 0 "[ . 1 . 2]" 1
596 1 28 ILE MD 1 98 LEU HG . . 3.820 2.995 2.790 3.291 . 0 0 "[ . 1 . 2]" 1
597 1 57 ILE H 1 57 ILE HG13 . . 4.830 4.371 4.280 4.493 . 0 0 "[ . 1 . 2]" 1
598 1 57 ILE HG13 1 66 PHE H . . 5.320 4.702 4.603 4.938 . 0 0 "[ . 1 . 2]" 1
599 1 57 ILE HA 1 57 ILE HG13 . . 4.070 3.656 3.641 3.671 . 0 0 "[ . 1 . 2]" 1
600 1 57 ILE HG13 1 105 LEU MD2 . . 4.270 2.146 1.840 2.524 . 0 0 "[ . 1 . 2]" 1
601 1 57 ILE HG12 1 105 LEU MD1 . . 4.360 2.170 1.943 2.569 . 0 0 "[ . 1 . 2]" 1
602 1 33 LEU HB2 1 63 SER HA . . 4.270 3.515 3.305 3.679 . 0 0 "[ . 1 . 2]" 1
603 1 26 ARG HA 1 26 ARG HG2 . . 4.190 3.293 3.023 3.596 . 0 0 "[ . 1 . 2]" 1
604 1 87 LEU HA 1 87 LEU HG . . 4.050 2.261 2.212 2.315 . 0 0 "[ . 1 . 2]" 1
605 1 33 LEU HA 1 33 LEU HG . . 4.230 2.893 2.721 3.023 . 0 0 "[ . 1 . 2]" 1
606 1 67 ILE H 1 67 ILE HG12 . . 4.620 3.957 3.766 4.263 . 0 0 "[ . 1 . 2]" 1
607 1 67 ILE HA 1 67 ILE HG12 . . 3.970 2.592 2.486 2.708 . 0 0 "[ . 1 . 2]" 1
608 1 67 ILE HA 1 67 ILE HG13 . . 3.970 2.955 2.888 3.040 . 0 0 "[ . 1 . 2]" 1
609 1 28 ILE HA 1 99 SER H . . 4.170 3.617 3.442 3.906 . 0 0 "[ . 1 . 2]" 1
610 1 28 ILE HA 1 29 HIS H . . 3.160 2.157 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
611 1 30 LEU H 1 30 LEU HG . . 4.230 2.981 2.605 3.150 . 0 0 "[ . 1 . 2]" 1
612 1 50 TYR HA 1 69 MET ME . . 4.780 4.164 3.913 4.514 . 0 0 "[ . 1 . 2]" 1
613 1 24 LEU H 1 24 LEU HG . . 3.940 3.186 2.310 3.938 . 0 0 "[ . 1 . 2]" 1
614 1 68 GLU HB2 1 105 LEU HG . . 4.040 2.628 2.222 3.119 . 0 0 "[ . 1 . 2]" 1
615 1 72 ARG HA 1 72 ARG HG2 . . 4.000 3.397 3.049 3.752 . 0 0 "[ . 1 . 2]" 1
616 1 72 ARG HA 1 75 ALA MB . . 4.000 2.838 2.498 3.127 . 0 0 "[ . 1 . 2]" 1
617 1 80 ASP HA 1 83 LEU HG . . 4.260 2.836 2.225 3.371 . 0 0 "[ . 1 . 2]" 1
618 1 83 LEU HA 1 83 LEU HG . . 3.940 2.940 2.627 3.225 . 0 0 "[ . 1 . 2]" 1
619 1 28 ILE H 1 28 ILE HG13 . . 4.060 3.641 3.478 3.877 . 0 0 "[ . 1 . 2]" 1
620 1 28 ILE HG13 1 47 ALA MB . . 4.070 3.452 3.272 3.688 . 0 0 "[ . 1 . 2]" 1
621 1 44 LEU HA 1 44 LEU HG . . 4.060 3.305 3.257 3.387 . 0 0 "[ . 1 . 2]" 1
622 1 28 ILE H 1 28 ILE HG12 . . 4.060 2.466 2.251 2.743 . 0 0 "[ . 1 . 2]" 1
623 1 28 ILE HA 1 28 ILE HG12 . . 4.090 2.785 2.694 2.966 . 0 0 "[ . 1 . 2]" 1
624 1 30 LEU MD1 1 46 LEU HG . . 3.790 3.480 3.237 3.738 . 0 0 "[ . 1 . 2]" 1
625 1 30 LEU HB3 1 30 LEU MD1 . . 3.590 2.553 2.397 2.706 . 0 0 "[ . 1 . 2]" 1
626 1 28 ILE MG 1 30 LEU MD1 . . 3.420 2.842 2.404 3.199 . 0 0 "[ . 1 . 2]" 1
627 1 45 LYS HA 1 48 GLU HG2 . . 4.180 4.000 3.472 4.180 0.000 18 0 "[ . 1 . 2]" 1
628 1 45 LYS HA 1 48 GLU HB2 . . 3.230 2.410 2.170 2.740 . 0 0 "[ . 1 . 2]" 1
629 1 45 LYS HA 1 45 LYS HG3 . . 3.920 2.723 2.184 3.601 . 0 0 "[ . 1 . 2]" 1
630 1 93 CYS HA 1 94 VAL H . . 3.080 2.627 2.256 2.779 . 0 0 "[ . 1 . 2]" 1
631 1 88 TRP HA 1 93 CYS HA . . 3.590 2.866 2.617 3.182 . 0 0 "[ . 1 . 2]" 1
632 1 40 ASP HA 1 43 VAL MG2 . . 4.220 3.314 3.065 3.617 . 0 0 "[ . 1 . 2]" 1
633 1 87 LEU HB3 1 87 LEU MD1 . . 3.300 2.678 2.611 2.761 . 0 0 "[ . 1 . 2]" 1
634 1 87 LEU HB2 1 87 LEU MD1 . . 3.300 2.002 1.959 2.098 . 0 0 "[ . 1 . 2]" 1
635 1 46 LEU HB2 1 87 LEU MD1 . . 3.640 3.047 2.790 3.205 . 0 0 "[ . 1 . 2]" 1
636 1 46 LEU MD1 1 87 LEU MD1 . . 3.270 3.178 2.946 3.267 . 0 0 "[ . 1 . 2]" 1
637 1 33 LEU H 1 33 LEU MD1 . . 4.110 3.670 3.275 3.928 . 0 0 "[ . 1 . 2]" 1
638 1 33 LEU HA 1 33 LEU MD1 . . 4.170 3.867 3.829 3.899 . 0 0 "[ . 1 . 2]" 1
639 1 33 LEU MD1 1 65 ALA H . . 3.840 2.797 2.572 3.152 . 0 0 "[ . 1 . 2]" 1
640 1 33 LEU MD1 1 64 GLN HA . . 3.750 2.581 2.193 3.079 . 0 0 "[ . 1 . 2]" 1
641 1 30 LEU HB2 1 33 LEU MD1 . . 3.910 2.677 2.378 2.997 . 0 0 "[ . 1 . 2]" 1
642 1 33 LEU MD1 1 65 ALA MB . . 2.920 1.917 1.757 2.118 . 0 0 "[ . 1 . 2]" 1
643 1 33 LEU HB2 1 33 LEU MD1 . . 3.140 2.213 2.033 2.377 . 0 0 "[ . 1 . 2]" 1
644 1 80 ASP HA 1 83 LEU HB2 . . 3.710 2.990 2.453 3.570 . 0 0 "[ . 1 . 2]" 1
645 1 80 ASP HA 1 83 LEU MD1 . . 4.260 2.063 1.806 2.627 . 0 0 "[ . 1 . 2]" 1
646 1 80 ASP HA 1 83 LEU HB3 . . 4.730 4.422 3.990 4.702 . 0 0 "[ . 1 . 2]" 1
647 1 43 VAL HA 1 46 LEU HG . . 3.930 3.841 3.515 3.925 . 0 0 "[ . 1 . 2]" 1
648 1 57 ILE H 1 105 LEU MD1 . . 3.630 2.965 2.754 3.161 . 0 0 "[ . 1 . 2]" 1
649 1 56 TYR HA 1 105 LEU MD1 . . 3.460 2.423 2.099 2.684 . 0 0 "[ . 1 . 2]" 1
650 1 55 ASN HB2 1 105 LEU MD1 . . 4.020 3.894 3.626 4.012 . 0 0 "[ . 1 . 2]" 1
651 1 66 PHE HB2 1 105 LEU MD1 . . 3.830 2.539 2.202 2.947 . 0 0 "[ . 1 . 2]" 1
652 1 66 PHE HB3 1 105 LEU MD1 . . 4.350 3.062 2.642 3.635 . 0 0 "[ . 1 . 2]" 1
653 1 55 ASN HB3 1 105 LEU MD1 . . 3.880 2.354 2.160 2.513 . 0 0 "[ . 1 . 2]" 1
654 1 68 GLU HB3 1 105 LEU MD1 . . 4.080 3.058 2.745 3.405 . 0 0 "[ . 1 . 2]" 1
655 1 57 ILE HB 1 105 LEU MD1 . . 3.850 2.585 2.362 2.705 . 0 0 "[ . 1 . 2]" 1
656 1 105 LEU HB2 1 105 LEU MD1 . . 3.470 2.249 2.151 2.430 . 0 0 "[ . 1 . 2]" 1
657 1 105 LEU HB3 1 105 LEU MD1 . . 3.540 2.396 2.183 2.522 . 0 0 "[ . 1 . 2]" 1
658 1 26 ARG H 1 103 LYS HA . . 4.350 3.962 2.818 4.328 . 0 0 "[ . 1 . 2]" 1
659 1 103 LYS HA 1 103 LYS HD2 . . 5.340 4.180 3.173 4.939 . 0 0 "[ . 1 . 2]" 1
660 1 103 LYS HA 1 103 LYS HD3 . . 5.340 4.091 2.255 4.767 . 0 0 "[ . 1 . 2]" 1
661 1 84 LYS HA 1 84 LYS HD3 . . 4.150 3.836 3.487 4.045 . 0 0 "[ . 1 . 2]" 1
662 1 76 MET HA 1 79 VAL MG2 . . 4.180 2.131 1.968 2.475 . 0 0 "[ . 1 . 2]" 1
663 1 101 LYS HA 1 101 LYS HG2 . . 4.090 3.427 2.267 3.819 . 0 0 "[ . 1 . 2]" 1
664 1 101 LYS HA 1 101 LYS HG3 . . 4.090 3.043 2.191 4.098 0.008 18 0 "[ . 1 . 2]" 1
665 1 56 TYR QD 1 58 LEU MD2 . . 3.630 2.244 2.004 2.509 . 0 0 "[ . 1 . 2]" 1
666 1 56 TYR QE 1 58 LEU MD2 . . 4.070 2.623 2.214 2.928 . 0 0 "[ . 1 . 2]" 1
667 1 40 ASP HA 1 58 LEU MD2 . . 3.500 2.509 2.231 2.801 . 0 0 "[ . 1 . 2]" 1
668 1 58 LEU HB3 1 58 LEU MD2 . . 3.430 3.191 3.181 3.196 . 0 0 "[ . 1 . 2]" 1
669 1 58 LEU HB2 1 58 LEU MD2 . . 3.440 2.352 2.218 2.423 . 0 0 "[ . 1 . 2]" 1
670 1 58 LEU MD2 1 65 ALA MB . . 3.170 2.224 1.928 2.578 . 0 0 "[ . 1 . 2]" 1
671 1 43 VAL MG2 1 58 LEU MD2 . . 3.300 2.243 1.957 2.537 . 0 0 "[ . 1 . 2]" 1
672 1 43 VAL MG1 1 58 LEU MD2 . . 3.410 2.281 2.067 2.502 . 0 0 "[ . 1 . 2]" 1
673 1 33 LEU MD1 1 58 LEU MD2 . . 3.910 3.629 3.317 3.831 . 0 0 "[ . 1 . 2]" 1
674 1 30 LEU HA 1 30 LEU MD2 . . 3.230 2.316 2.058 2.590 . 0 0 "[ . 1 . 2]" 1
675 1 67 ILE HA 1 105 LEU MD1 . . 4.130 3.039 2.830 3.282 . 0 0 "[ . 1 . 2]" 1
676 1 30 LEU MD2 1 96 VAL HB . . 4.250 2.092 1.842 2.402 . 0 0 "[ . 1 . 2]" 1
677 1 84 LYS HA 1 84 LYS HG3 . . 3.750 2.348 2.217 2.471 . 0 0 "[ . 1 . 2]" 1
678 1 84 LYS HA 1 84 LYS HG2 . . 3.750 3.424 3.259 3.590 . 0 0 "[ . 1 . 2]" 1
679 1 52 LYS HA 1 52 LYS HG2 . . 3.840 2.248 2.044 3.568 . 0 0 "[ . 1 . 2]" 1
680 1 105 LEU H 1 105 LEU MD1 . . 4.590 3.956 3.587 4.485 . 0 0 "[ . 1 . 2]" 1
681 1 30 LEU MD2 1 46 LEU HB2 . . 4.140 4.020 3.766 4.144 0.004 19 0 "[ . 1 . 2]" 1
682 1 30 LEU HB3 1 30 LEU MD2 . . 3.560 2.202 2.023 2.313 . 0 0 "[ . 1 . 2]" 1
683 1 31 SER HA 1 32 ASN H . . 3.460 2.389 2.287 2.555 . 0 0 "[ . 1 . 2]" 1
684 1 31 SER HA 1 33 LEU H . . 4.210 3.771 3.470 4.209 . 0 0 "[ . 1 . 2]" 1
685 1 31 SER HA 1 64 GLN HA . . 3.600 2.960 2.649 3.149 . 0 0 "[ . 1 . 2]" 1
686 1 31 SER HA 1 64 GLN HG3 . . 4.740 4.314 3.558 4.717 . 0 0 "[ . 1 . 2]" 1
687 1 52 LYS HA 1 52 LYS HG3 . . 3.840 3.184 2.259 3.503 . 0 0 "[ . 1 . 2]" 1
688 1 56 TYR HA 1 57 ILE H . . 3.240 2.339 2.288 2.414 . 0 0 "[ . 1 . 2]" 1
689 1 56 TYR HA 1 56 TYR QD . . 4.180 3.712 3.686 3.724 . 0 0 "[ . 1 . 2]" 1
690 1 56 TYR HA 1 67 ILE HA . . 3.690 2.176 2.014 2.293 . 0 0 "[ . 1 . 2]" 1
691 1 50 TYR QD 1 74 ASP HA . . 4.720 3.904 3.679 4.193 . 0 0 "[ . 1 . 2]" 1
692 1 93 CYS H 1 93 CYS HB3 . . 3.640 2.642 2.483 2.902 . 0 0 "[ . 1 . 2]" 1
693 1 83 LEU HA 1 83 LEU MD1 . . 4.100 3.885 3.757 3.943 . 0 0 "[ . 1 . 2]" 1
694 1 98 LEU MD1 1 99 SER H . . 4.730 4.689 4.558 4.732 0.002 4 0 "[ . 1 . 2]" 1
695 1 54 LYS HA 1 54 LYS HG3 . . 3.200 2.281 2.159 2.401 . 0 0 "[ . 1 . 2]" 1
696 1 100 GLU HA 1 100 GLU HG2 . . 4.040 2.990 2.099 3.725 . 0 0 "[ . 1 . 2]" 1
697 1 46 LEU HA 1 46 LEU MD2 . . 3.180 3.086 2.970 3.181 0.001 15 0 "[ . 1 . 2]" 1
698 1 95 LYS HA 1 95 LYS HG3 . . 3.990 2.468 2.021 3.541 . 0 0 "[ . 1 . 2]" 1
699 1 58 LEU MD1 1 66 PHE H . . 5.430 5.368 5.265 5.428 . 0 0 "[ . 1 . 2]" 1
700 1 58 LEU MD1 1 59 MET H . . 3.680 3.100 2.901 3.286 . 0 0 "[ . 1 . 2]" 1
701 1 38 TYR QE 1 58 LEU MD1 . . 3.570 2.632 2.393 2.984 . 0 0 "[ . 1 . 2]" 1
702 1 58 LEU MD1 1 65 ALA HA . . 4.240 4.167 3.976 4.245 0.005 17 0 "[ . 1 . 2]" 1
703 1 40 ASP HA 1 58 LEU MD1 . . 3.650 3.554 3.355 3.651 0.001 13 0 "[ . 1 . 2]" 1
704 1 58 LEU HB3 1 58 LEU MD1 . . 3.560 2.345 2.227 2.457 . 0 0 "[ . 1 . 2]" 1
705 1 58 LEU HB2 1 58 LEU MD1 . . 3.450 3.183 3.173 3.194 . 0 0 "[ . 1 . 2]" 1
706 1 43 VAL MG1 1 58 LEU MD1 . . 3.450 3.176 2.827 3.391 . 0 0 "[ . 1 . 2]" 1
707 1 33 LEU MD1 1 58 LEU MD1 . . 3.430 2.824 2.510 3.037 . 0 0 "[ . 1 . 2]" 1
708 1 76 MET HA 1 98 LEU MD1 . . 4.000 2.230 2.115 2.370 . 0 0 "[ . 1 . 2]" 1
709 1 98 LEU HB3 1 98 LEU MD1 . . 3.220 2.963 2.874 3.028 . 0 0 "[ . 1 . 2]" 1
710 1 85 LYS H 1 85 LYS HG2 . . 5.040 4.198 2.710 4.818 . 0 0 "[ . 1 . 2]" 1
711 1 85 LYS HG2 1 86 ALA H . . 5.400 3.742 1.974 4.851 . 0 0 "[ . 1 . 2]" 1
712 1 85 LYS HA 1 85 LYS HG2 . . 3.900 3.215 2.473 3.813 . 0 0 "[ . 1 . 2]" 1
713 1 85 LYS H 1 85 LYS HG3 . . 5.040 3.970 2.749 4.871 . 0 0 "[ . 1 . 2]" 1
714 1 85 LYS HG3 1 86 ALA H . . 5.400 3.454 1.901 5.402 0.002 16 0 "[ . 1 . 2]" 1
715 1 27 VAL H 1 98 LEU MD2 . . 4.090 2.721 2.448 2.994 . 0 0 "[ . 1 . 2]" 1
716 1 76 MET HA 1 98 LEU MD2 . . 4.390 4.191 3.963 4.291 . 0 0 "[ . 1 . 2]" 1
717 1 76 MET HG3 1 98 LEU MD2 . . 4.650 4.540 4.333 4.648 . 0 0 "[ . 1 . 2]" 1
718 1 76 MET HG2 1 98 LEU MD2 . . 4.000 3.267 3.043 3.400 . 0 0 "[ . 1 . 2]" 1
719 1 90 GLN HA 1 90 GLN HG2 . . 4.010 2.496 2.055 3.933 . 0 0 "[ . 1 . 2]" 1
720 1 54 LYS H 1 54 LYS HG3 . . 4.410 4.236 4.172 4.312 . 0 0 "[ . 1 . 2]" 1
721 1 54 LYS HG3 1 70 GLU HA . . 4.740 4.668 4.579 4.743 0.003 11 0 "[ . 1 . 2]" 1
722 1 54 LYS H 1 54 LYS HG2 . . 4.590 4.409 4.275 4.588 . 0 0 "[ . 1 . 2]" 1
723 1 54 LYS HA 1 54 LYS HG2 . . 3.620 3.544 3.491 3.579 . 0 0 "[ . 1 . 2]" 1
724 1 54 LYS HG2 1 70 GLU HA . . 4.030 3.681 3.424 3.987 . 0 0 "[ . 1 . 2]" 1
725 1 26 ARG HA 1 98 LEU MD2 . . 3.680 2.656 2.265 2.836 . 0 0 "[ . 1 . 2]" 1
726 1 98 LEU HB2 1 98 LEU MD2 . . 3.260 2.860 2.758 2.956 . 0 0 "[ . 1 . 2]" 1
727 1 75 ALA MB 1 98 LEU MD2 . . 3.250 2.866 2.667 3.235 . 0 0 "[ . 1 . 2]" 1
728 1 38 TYR QD 1 43 VAL MG2 . . 3.390 2.859 2.492 3.289 . 0 0 "[ . 1 . 2]" 1
729 1 43 VAL MG2 1 89 PHE HZ . . 3.740 2.829 2.215 3.515 . 0 0 "[ . 1 . 2]" 1
730 1 38 TYR QE 1 43 VAL MG2 . . 3.360 1.899 1.815 2.041 . 0 0 "[ . 1 . 2]" 1
731 1 43 VAL HA 1 43 VAL MG2 . . 3.140 2.264 2.147 2.323 . 0 0 "[ . 1 . 2]" 1
732 1 33 LEU HB3 1 43 VAL MG2 . . 4.400 3.763 3.500 3.986 . 0 0 "[ . 1 . 2]" 1
733 1 43 VAL MG2 1 46 LEU MD1 . . 4.250 4.112 3.731 4.225 . 0 0 "[ . 1 . 2]" 1
734 1 66 PHE HA 1 67 ILE H . . 3.180 2.175 2.138 2.359 . 0 0 "[ . 1 . 2]" 1
735 1 66 PHE HA 1 66 PHE QD . . 4.000 2.901 2.334 3.184 . 0 0 "[ . 1 . 2]" 1
736 1 29 HIS HA 1 66 PHE HA . . 3.920 2.885 2.556 3.338 . 0 0 "[ . 1 . 2]" 1
737 1 27 VAL MG1 1 66 PHE HA . . 3.770 3.324 3.067 3.593 . 0 0 "[ . 1 . 2]" 1
738 1 88 TRP HA 1 94 VAL MG1 . . 4.070 3.270 3.008 3.412 . 0 0 "[ . 1 . 2]" 1
739 1 46 LEU MD1 1 89 PHE QD . . 4.060 3.970 3.788 4.063 0.003 10 0 "[ . 1 . 2]" 1
740 1 46 LEU HA 1 46 LEU MD1 . . 4.240 4.124 4.109 4.140 . 0 0 "[ . 1 . 2]" 1
741 1 46 LEU HB3 1 46 LEU MD1 . . 3.300 2.532 2.459 2.627 . 0 0 "[ . 1 . 2]" 1
742 1 46 LEU HB2 1 46 LEU MD1 . . 3.240 2.156 2.071 2.261 . 0 0 "[ . 1 . 2]" 1
743 1 30 LEU MD1 1 46 LEU MD1 . . 3.160 2.150 1.859 2.496 . 0 0 "[ . 1 . 2]" 1
744 1 46 LEU MD1 1 89 PHE HB2 . . 3.830 3.063 2.636 3.322 . 0 0 "[ . 1 . 2]" 1
745 1 30 LEU MD2 1 46 LEU MD1 . . 3.470 1.921 1.776 2.117 . 0 0 "[ . 1 . 2]" 1
746 1 88 TRP HA 1 94 VAL H . . 3.930 3.494 3.197 3.742 . 0 0 "[ . 1 . 2]" 1
747 1 87 LEU H 1 87 LEU MD2 . . 4.500 4.355 4.292 4.402 . 0 0 "[ . 1 . 2]" 1
748 1 87 LEU MD2 1 88 TRP H . . 3.480 3.139 2.741 3.478 . 0 0 "[ . 1 . 2]" 1
749 1 46 LEU HA 1 87 LEU MD2 . . 4.190 4.075 3.758 4.186 . 0 0 "[ . 1 . 2]" 1
750 1 87 LEU HB3 1 87 LEU MD2 . . 3.580 2.164 2.119 2.229 . 0 0 "[ . 1 . 2]" 1
751 1 87 LEU HB2 1 87 LEU MD2 . . 3.580 3.109 3.053 3.144 . 0 0 "[ . 1 . 2]" 1
752 1 46 LEU MD1 1 87 LEU MD2 . . 3.590 2.307 2.112 2.532 . 0 0 "[ . 1 . 2]" 1
753 1 44 LEU MD1 1 56 TYR QD . . 3.490 3.023 2.553 3.250 . 0 0 "[ . 1 . 2]" 1
754 1 44 LEU MD1 1 56 TYR QE . . 3.900 3.457 3.047 3.683 . 0 0 "[ . 1 . 2]" 1
755 1 41 SER HA 1 44 LEU MD1 . . 3.230 2.219 2.028 2.474 . 0 0 "[ . 1 . 2]" 1
756 1 44 LEU HA 1 44 LEU MD1 . . 4.190 3.975 3.910 4.006 . 0 0 "[ . 1 . 2]" 1
757 1 44 LEU H 1 44 LEU MD1 . . 3.800 3.555 3.491 3.704 . 0 0 "[ . 1 . 2]" 1
758 1 40 ASP HB2 1 44 LEU MD1 . . 4.620 3.112 2.866 3.495 . 0 0 "[ . 1 . 2]" 1
759 1 44 LEU MD1 1 56 TYR HB3 . . 5.210 3.141 2.918 3.450 . 0 0 "[ . 1 . 2]" 1
760 1 44 LEU HB2 1 44 LEU MD1 . . 3.150 2.215 2.099 2.312 . 0 0 "[ . 1 . 2]" 1
761 1 44 LEU HB3 1 44 LEU MD1 . . 3.130 2.416 2.318 2.526 . 0 0 "[ . 1 . 2]" 1
762 1 44 LEU MD1 1 53 ILE HG12 . . 4.640 4.009 3.792 4.294 . 0 0 "[ . 1 . 2]" 1
763 1 44 LEU MD1 1 58 LEU MD2 . . 4.940 4.135 3.868 4.345 . 0 0 "[ . 1 . 2]" 1
764 1 44 LEU MD1 1 53 ILE MG . . 3.600 2.848 2.637 3.232 . 0 0 "[ . 1 . 2]" 1
765 1 44 LEU MD1 1 67 ILE MD . . 4.360 4.297 4.176 4.363 0.003 16 0 "[ . 1 . 2]" 1
766 1 43 VAL MG1 1 44 LEU MD1 . . 4.620 4.603 4.514 4.629 0.009 1 0 "[ . 1 . 2]" 1
767 1 44 LEU MD1 1 53 ILE HB . . 4.490 3.988 3.763 4.266 . 0 0 "[ . 1 . 2]" 1
768 1 88 TRP HA 1 88 TRP HE3 . . 4.280 3.066 2.814 3.352 . 0 0 "[ . 1 . 2]" 1
769 1 88 TRP HB3 1 88 TRP HE3 . . 3.800 2.631 2.551 2.741 . 0 0 "[ . 1 . 2]" 1
770 1 65 ALA MB 1 66 PHE H . . 3.290 2.694 2.532 2.838 . 0 0 "[ . 1 . 2]" 1
771 1 65 ALA H 1 65 ALA MB . . 3.580 2.753 2.672 2.853 . 0 0 "[ . 1 . 2]" 1
772 1 43 VAL MG2 1 65 ALA MB . . 3.390 3.287 3.026 3.394 0.004 9 0 "[ . 1 . 2]" 1
773 1 30 LEU MD1 1 65 ALA MB . . 3.290 2.488 2.184 2.934 . 0 0 "[ . 1 . 2]" 1
774 1 59 MET H 1 65 ALA MB . . 4.090 2.926 2.645 3.273 . 0 0 "[ . 1 . 2]" 1
775 1 95 LYS HA 1 95 LYS HG2 . . 3.990 3.001 2.038 3.585 . 0 0 "[ . 1 . 2]" 1
776 1 83 LEU H 1 83 LEU MD2 . . 4.050 3.620 3.224 4.018 . 0 0 "[ . 1 . 2]" 1
777 1 80 ASP HA 1 83 LEU MD2 . . 4.260 4.140 3.627 4.261 0.001 4 0 "[ . 1 . 2]" 1
778 1 83 LEU HA 1 83 LEU MD2 . . 4.100 2.261 1.982 2.611 . 0 0 "[ . 1 . 2]" 1
779 1 83 LEU HB3 1 83 LEU MD2 . . 3.230 2.237 2.018 2.432 . 0 0 "[ . 1 . 2]" 1
780 1 69 MET HG3 1 75 ALA HA . . 4.200 2.076 1.999 2.349 . 0 0 "[ . 1 . 2]" 1
781 1 94 VAL HA 1 94 VAL MG1 . . 3.350 3.196 3.174 3.204 . 0 0 "[ . 1 . 2]" 1
782 1 89 PHE HB2 1 94 VAL MG1 . . 3.530 2.409 2.190 2.598 . 0 0 "[ . 1 . 2]" 1
783 1 94 VAL MG1 1 95 LYS H . . 4.330 3.983 3.866 4.096 . 0 0 "[ . 1 . 2]" 1
784 1 33 LEU HA 1 94 VAL MG1 . . 4.480 4.437 4.129 4.491 0.011 20 0 "[ . 1 . 2]" 1
785 1 93 CYS HA 1 94 VAL MG1 . . 4.020 3.711 3.557 3.888 . 0 0 "[ . 1 . 2]" 1
786 1 89 PHE HB3 1 94 VAL MG1 . . 3.310 2.256 1.969 2.607 . 0 0 "[ . 1 . 2]" 1
787 1 87 LEU HG 1 94 VAL MG1 . . 4.640 4.625 4.524 4.643 0.003 19 0 "[ . 1 . 2]" 1
788 1 33 LEU MD2 1 94 VAL MG1 . . 3.170 3.131 3.000 3.178 0.008 12 0 "[ . 1 . 2]" 1
789 1 46 LEU MD1 1 94 VAL MG1 . . 3.680 2.755 2.466 3.123 . 0 0 "[ . 1 . 2]" 1
790 1 77 ALA HA 1 80 ASP H . . 4.040 3.709 3.524 3.894 . 0 0 "[ . 1 . 2]" 1
791 1 28 ILE HG12 1 75 ALA HA . . 4.490 3.285 3.040 3.478 . 0 0 "[ . 1 . 2]" 1
792 1 79 VAL MG1 1 98 LEU H . . 3.680 1.988 1.876 2.160 . 0 0 "[ . 1 . 2]" 1
793 1 79 VAL MG1 1 80 ASP H . . 3.860 3.804 3.701 3.899 0.039 13 0 "[ . 1 . 2]" 1
794 1 79 VAL H 1 79 VAL MG1 . . 3.040 1.922 1.872 2.066 . 0 0 "[ . 1 . 2]" 1
795 1 79 VAL MG1 1 97 ASP HA . . 3.650 2.357 1.969 2.582 . 0 0 "[ . 1 . 2]" 1
796 1 76 MET HA 1 79 VAL MG1 . . 3.650 3.369 3.148 3.547 . 0 0 "[ . 1 . 2]" 1
797 1 79 VAL HA 1 79 VAL MG1 . . 3.070 2.415 2.331 2.472 . 0 0 "[ . 1 . 2]" 1
798 1 79 VAL MG1 1 98 LEU HB3 . . 3.920 3.718 3.538 3.902 . 0 0 "[ . 1 . 2]" 1
799 1 79 VAL MG1 1 98 LEU HB2 . . 3.410 2.253 2.028 2.490 . 0 0 "[ . 1 . 2]" 1
800 1 75 ALA MB 1 79 VAL MG1 . . 4.190 3.662 3.545 3.878 . 0 0 "[ . 1 . 2]" 1
801 1 94 VAL H 1 94 VAL MG1 . . 3.300 2.041 1.887 2.242 . 0 0 "[ . 1 . 2]" 1
802 1 89 PHE QD 1 94 VAL MG1 . . 3.960 3.366 2.866 3.717 . 0 0 "[ . 1 . 2]" 1
803 1 87 LEU MD2 1 94 VAL MG1 . . 4.140 2.299 2.198 2.372 . 0 0 "[ . 1 . 2]" 1
804 1 85 LYS HA 1 85 LYS HG3 . . 3.900 2.831 2.378 3.846 . 0 0 "[ . 1 . 2]" 1
805 1 42 ALA HA 1 45 LYS HD2 . . 4.890 3.434 2.301 4.735 . 0 0 "[ . 1 . 2]" 1
806 1 42 ALA HA 1 45 LYS HD3 . . 4.890 3.571 1.996 4.660 . 0 0 "[ . 1 . 2]" 1
807 1 27 VAL MG1 1 105 LEU HG . . 4.220 3.642 2.691 4.198 . 0 0 "[ . 1 . 2]" 1
808 1 27 VAL MG1 1 67 ILE H . . 3.730 3.427 2.761 3.706 . 0 0 "[ . 1 . 2]" 1
809 1 27 VAL MG1 1 28 ILE H . . 3.700 2.830 2.205 3.108 . 0 0 "[ . 1 . 2]" 1
810 1 27 VAL MG1 1 66 PHE QD . . 3.440 2.068 1.839 2.631 . 0 0 "[ . 1 . 2]" 1
811 1 27 VAL MG1 1 66 PHE HB3 . . 3.330 2.027 1.867 2.442 . 0 0 "[ . 1 . 2]" 1
812 1 33 LEU H 1 33 LEU MD2 . . 4.030 3.839 3.630 4.002 . 0 0 "[ . 1 . 2]" 1
813 1 33 LEU MD2 1 89 PHE QD . . 3.550 2.491 2.080 2.845 . 0 0 "[ . 1 . 2]" 1
814 1 33 LEU MD2 1 89 PHE QE . . 3.910 2.915 1.983 3.663 . 0 0 "[ . 1 . 2]" 1
815 1 33 LEU HA 1 33 LEU MD2 . . 3.110 2.111 1.966 2.539 . 0 0 "[ . 1 . 2]" 1
816 1 33 LEU MD2 1 34 PRO HD3 . . 3.650 3.004 2.809 3.288 . 0 0 "[ . 1 . 2]" 1
817 1 33 LEU MD2 1 34 PRO HD2 . . 3.630 2.267 2.059 2.508 . 0 0 "[ . 1 . 2]" 1
818 1 33 LEU MD2 1 34 PRO HG2 . . 4.870 4.044 3.855 4.262 . 0 0 "[ . 1 . 2]" 1
819 1 33 LEU MD2 1 34 PRO HG3 . . 4.870 4.237 4.012 4.499 . 0 0 "[ . 1 . 2]" 1
820 1 30 LEU HB2 1 33 LEU MD2 . . 3.980 3.222 2.880 3.590 . 0 0 "[ . 1 . 2]" 1
821 1 30 LEU HB3 1 33 LEU MD2 . . 3.440 2.265 1.979 2.608 . 0 0 "[ . 1 . 2]" 1
822 1 33 LEU MD2 1 94 VAL MG2 . . 2.900 1.867 1.782 2.006 . 0 0 "[ . 1 . 2]" 1
823 1 33 LEU MD2 1 43 VAL MG2 . . 3.330 2.451 2.182 2.876 . 0 0 "[ . 1 . 2]" 1
824 1 30 LEU MD1 1 33 LEU MD2 . . 3.550 2.902 2.495 3.301 . 0 0 "[ . 1 . 2]" 1
825 1 33 LEU MD2 1 43 VAL MG1 . . 3.800 3.002 2.500 3.305 . 0 0 "[ . 1 . 2]" 1
826 1 33 LEU MD2 1 46 LEU MD1 . . 3.760 3.411 3.100 3.590 . 0 0 "[ . 1 . 2]" 1
827 1 33 LEU MD2 1 94 VAL HB . . 4.120 2.569 2.281 3.095 . 0 0 "[ . 1 . 2]" 1
828 1 26 ARG HA 1 72 ARG HA . . 4.890 4.604 3.956 4.896 0.006 16 0 "[ . 1 . 2]" 1
829 1 26 ARG HA 1 26 ARG HG3 . . 4.190 2.893 2.287 4.206 0.016 20 0 "[ . 1 . 2]" 1
830 1 24 LEU HA 1 24 LEU MD1 . . 4.230 3.498 2.070 3.960 . 0 0 "[ . 1 . 2]" 1
831 1 104 LYS HA 1 105 LEU H . . 3.420 2.514 2.215 3.166 . 0 0 "[ . 1 . 2]" 1
832 1 68 GLU HG3 1 104 LYS HA . . 5.150 3.972 2.107 5.094 . 0 0 "[ . 1 . 2]" 1
833 1 104 LYS HA 1 105 LEU HB2 . . 5.500 4.668 4.244 4.922 . 0 0 "[ . 1 . 2]" 1
834 1 24 LEU HA 1 24 LEU MD2 . . 4.230 2.677 2.142 3.743 . 0 0 "[ . 1 . 2]" 1
835 1 38 TYR HA 1 42 ALA MB . . 4.280 4.216 3.853 4.282 0.002 12 0 "[ . 1 . 2]" 1
836 1 94 VAL H 1 94 VAL MG2 . . 4.060 3.769 3.757 3.790 . 0 0 "[ . 1 . 2]" 1
837 1 31 SER H 1 94 VAL MG2 . . 3.710 3.016 2.758 3.213 . 0 0 "[ . 1 . 2]" 1
838 1 94 VAL MG2 1 95 LYS H . . 3.490 2.388 1.989 2.711 . 0 0 "[ . 1 . 2]" 1
839 1 30 LEU HA 1 94 VAL MG2 . . 3.890 3.104 2.968 3.324 . 0 0 "[ . 1 . 2]" 1
840 1 30 LEU HB2 1 94 VAL MG2 . . 3.900 3.809 3.580 3.904 0.004 11 0 "[ . 1 . 2]" 1
841 1 33 LEU HB3 1 94 VAL MG2 . . 4.560 4.387 4.183 4.562 0.002 19 0 "[ . 1 . 2]" 1
842 1 30 LEU HB3 1 94 VAL MG2 . . 3.470 2.380 2.191 2.501 . 0 0 "[ . 1 . 2]" 1
843 1 30 LEU MD2 1 94 VAL MG2 . . 3.180 2.238 1.942 2.670 . 0 0 "[ . 1 . 2]" 1
844 1 46 LEU MD1 1 94 VAL MG2 . . 3.940 3.227 2.872 3.439 . 0 0 "[ . 1 . 2]" 1
845 1 87 LEU HA 1 87 LEU MD2 . . 3.270 3.126 2.969 3.270 0.000 18 0 "[ . 1 . 2]" 1
846 1 50 TYR QE 1 81 HIS HB3 . . 4.240 3.412 3.034 3.818 . 0 0 "[ . 1 . 2]" 1
847 1 105 LEU HA 1 105 LEU MD1 . . 4.350 3.875 3.777 3.944 . 0 0 "[ . 1 . 2]" 1
848 1 33 LEU HA 1 94 VAL MG2 . . 4.060 3.067 2.720 3.529 . 0 0 "[ . 1 . 2]" 1
849 1 105 LEU H 1 105 LEU MD2 . . 4.150 3.424 2.996 4.124 . 0 0 "[ . 1 . 2]" 1
850 1 66 PHE QD 1 105 LEU MD2 . . 4.140 3.326 2.702 3.671 . 0 0 "[ . 1 . 2]" 1
851 1 102 TYR QD 1 105 LEU MD2 . . 4.020 3.284 2.174 4.020 0.000 18 0 "[ . 1 . 2]" 1
852 1 105 LEU HA 1 105 LEU MD2 . . 2.940 2.111 1.950 2.375 . 0 0 "[ . 1 . 2]" 1
853 1 66 PHE HB2 1 105 LEU MD2 . . 3.350 2.186 2.002 2.493 . 0 0 "[ . 1 . 2]" 1
854 1 66 PHE HB3 1 105 LEU MD2 . . 3.690 2.289 1.978 2.946 . 0 0 "[ . 1 . 2]" 1
855 1 102 TYR HB3 1 105 LEU MD2 . . 4.180 3.297 1.998 3.957 . 0 0 "[ . 1 . 2]" 1
856 1 59 MET ME 1 105 LEU MD2 . . 4.240 3.995 3.627 4.232 . 0 0 "[ . 1 . 2]" 1
857 1 57 ILE HB 1 105 LEU MD2 . . 3.870 3.057 2.521 3.235 . 0 0 "[ . 1 . 2]" 1
858 1 105 LEU HB2 1 105 LEU MD2 . . 3.640 3.188 3.179 3.194 . 0 0 "[ . 1 . 2]" 1
859 1 105 LEU HB3 1 105 LEU MD2 . . 3.410 2.350 2.218 2.477 . 0 0 "[ . 1 . 2]" 1
860 1 57 ILE HG12 1 105 LEU MD2 . . 4.020 3.179 2.852 3.586 . 0 0 "[ . 1 . 2]" 1
861 1 27 VAL MG1 1 105 LEU MD2 . . 3.060 2.476 1.959 3.007 . 0 0 "[ . 1 . 2]" 1
862 1 40 ASP HB2 1 56 TYR QE . . 4.630 2.245 2.013 2.554 . 0 0 "[ . 1 . 2]" 1
863 1 56 TYR QE 1 58 LEU MD1 . . 4.970 4.759 4.539 4.894 . 0 0 "[ . 1 . 2]" 1
864 1 71 THR H 1 71 THR MG . . 3.480 2.492 2.258 2.644 . 0 0 "[ . 1 . 2]" 1
865 1 70 GLU HA 1 71 THR MG . . 4.240 3.939 3.812 4.080 . 0 0 "[ . 1 . 2]" 1
866 1 70 GLU HB3 1 71 THR MG . . 3.420 2.408 2.302 2.508 . 0 0 "[ . 1 . 2]" 1
867 1 70 GLU HG2 1 71 THR MG . . 3.540 2.566 2.458 2.725 . 0 0 "[ . 1 . 2]" 1
868 1 70 GLU HB2 1 71 THR MG . . 3.970 3.855 3.802 3.917 . 0 0 "[ . 1 . 2]" 1
869 1 71 THR MG 1 72 ARG H . . 4.130 3.925 3.745 4.129 . 0 0 "[ . 1 . 2]" 1
870 1 96 VAL MG2 1 97 ASP H . . 3.720 2.928 2.693 3.217 . 0 0 "[ . 1 . 2]" 1
871 1 96 VAL H 1 96 VAL MG2 . . 4.080 3.804 3.729 3.891 . 0 0 "[ . 1 . 2]" 1
872 1 96 VAL HA 1 96 VAL MG2 . . 3.290 2.392 2.231 2.489 . 0 0 "[ . 1 . 2]" 1
873 1 79 VAL HA 1 96 VAL MG2 . . 3.300 2.384 2.014 2.741 . 0 0 "[ . 1 . 2]" 1
874 1 82 CYS HB3 1 96 VAL MG2 . . 4.830 4.144 3.554 4.567 . 0 0 "[ . 1 . 2]" 1
875 1 78 MET HG2 1 96 VAL MG2 . . 4.000 2.469 2.000 3.981 . 0 0 "[ . 1 . 2]" 1
876 1 28 ILE MG 1 96 VAL MG2 . . 2.650 1.835 1.744 1.948 . 0 0 "[ . 1 . 2]" 1
877 1 27 VAL H 1 27 VAL MG2 . . 3.660 3.123 2.862 3.280 . 0 0 "[ . 1 . 2]" 1
878 1 26 ARG H 1 27 VAL MG2 . . 4.070 3.616 3.354 3.862 . 0 0 "[ . 1 . 2]" 1
879 1 66 PHE QE 1 102 TYR QE . . 3.870 3.102 2.020 3.633 . 0 0 "[ . 1 . 2]" 1
880 1 27 VAL MG2 1 28 ILE H . . 4.230 4.008 3.852 4.125 . 0 0 "[ . 1 . 2]" 1
881 1 27 VAL MG2 1 104 LYS HA . . 3.260 2.970 2.520 3.269 0.009 1 0 "[ . 1 . 2]" 1
882 1 27 VAL MG2 1 66 PHE HB3 . . 4.440 3.809 3.484 4.168 . 0 0 "[ . 1 . 2]" 1
883 1 27 VAL MG2 1 68 GLU HB2 . . 3.440 2.805 2.533 2.927 . 0 0 "[ . 1 . 2]" 1
884 1 27 VAL MG2 1 105 LEU HG . . 3.550 2.983 2.476 3.355 . 0 0 "[ . 1 . 2]" 1
885 1 38 TYR QE 1 58 LEU MD2 . . 3.860 3.758 3.584 3.858 . 0 0 "[ . 1 . 2]" 1
886 1 46 LEU H 1 46 LEU MD2 . . 3.540 1.959 1.845 2.043 . 0 0 "[ . 1 . 2]" 1
887 1 46 LEU MD2 1 89 PHE QD . . 3.490 2.890 2.594 3.392 . 0 0 "[ . 1 . 2]" 1
888 1 46 LEU HB3 1 46 LEU MD2 . . 3.060 2.219 2.123 2.289 . 0 0 "[ . 1 . 2]" 1
889 1 46 LEU HB2 1 46 LEU MD2 . . 3.330 3.158 3.142 3.173 . 0 0 "[ . 1 . 2]" 1
890 1 46 LEU MD2 1 87 LEU MD2 . . 3.480 3.315 3.147 3.472 . 0 0 "[ . 1 . 2]" 1
891 1 43 VAL HA 1 46 LEU MD2 . . 4.080 2.215 2.092 2.412 . 0 0 "[ . 1 . 2]" 1
892 1 46 LEU MD2 1 89 PHE HB2 . . 3.850 2.645 2.286 3.108 . 0 0 "[ . 1 . 2]" 1
893 1 46 LEU MD2 1 47 ALA MB . . 4.750 4.626 4.532 4.701 . 0 0 "[ . 1 . 2]" 1
894 1 67 ILE MG 1 69 MET HA . . 4.020 3.617 3.509 3.729 . 0 0 "[ . 1 . 2]" 1
895 1 54 LYS H 1 69 MET HA . . 3.880 3.464 3.289 3.673 . 0 0 "[ . 1 . 2]" 1
896 1 53 ILE HA 1 69 MET HA . . 3.540 3.022 2.708 3.237 . 0 0 "[ . 1 . 2]" 1
897 1 79 VAL HB 1 96 VAL MG1 . . 4.790 4.133 3.753 4.619 . 0 0 "[ . 1 . 2]" 1
898 1 96 VAL MG1 1 97 ASP H . . 4.460 4.178 4.067 4.299 . 0 0 "[ . 1 . 2]" 1
899 1 96 VAL H 1 96 VAL MG1 . . 3.330 1.962 1.880 2.063 . 0 0 "[ . 1 . 2]" 1
900 1 106 VAL H 1 106 VAL MG2 . . 4.060 3.169 1.908 4.076 0.016 9 0 "[ . 1 . 2]" 1
901 1 96 VAL HA 1 96 VAL MG1 . . 3.240 3.187 3.171 3.199 . 0 0 "[ . 1 . 2]" 1
902 1 95 LYS HA 1 96 VAL MG1 . . 3.860 3.605 3.420 3.827 . 0 0 "[ . 1 . 2]" 1
903 1 106 VAL HA 1 106 VAL MG2 . . 3.460 2.522 2.166 3.202 . 0 0 "[ . 1 . 2]" 1
904 1 82 CYS HB2 1 96 VAL MG1 . . 4.300 1.923 1.841 2.098 . 0 0 "[ . 1 . 2]" 1
905 1 82 CYS HB3 1 96 VAL MG1 . . 4.300 2.297 2.059 2.614 . 0 0 "[ . 1 . 2]" 1
906 1 43 VAL MG1 1 44 LEU H . . 4.040 3.523 3.455 3.568 . 0 0 "[ . 1 . 2]" 1
907 1 43 VAL MG1 1 65 ALA MB . . 3.080 2.352 2.078 2.461 . 0 0 "[ . 1 . 2]" 1
908 1 43 VAL MG1 1 46 LEU MD1 . . 3.580 3.007 2.835 3.136 . 0 0 "[ . 1 . 2]" 1
909 1 43 VAL HA 1 43 VAL MG1 . . 3.200 2.476 2.447 2.509 . 0 0 "[ . 1 . 2]" 1
910 1 43 VAL MG1 1 46 LEU HG . . 3.810 3.700 3.595 3.767 . 0 0 "[ . 1 . 2]" 1
911 1 30 LEU HB3 1 43 VAL MG1 . . 4.110 4.016 3.756 4.112 0.002 1 0 "[ . 1 . 2]" 1
912 1 44 LEU H 1 44 LEU MD2 . . 3.680 3.207 3.081 3.370 . 0 0 "[ . 1 . 2]" 1
913 1 44 LEU MD2 1 56 TYR QD . . 3.330 2.517 2.182 2.765 . 0 0 "[ . 1 . 2]" 1
914 1 44 LEU HA 1 44 LEU MD2 . . 2.900 2.251 2.028 2.322 . 0 0 "[ . 1 . 2]" 1
915 1 44 LEU MD2 1 56 TYR HB3 . . 3.790 2.210 1.966 2.440 . 0 0 "[ . 1 . 2]" 1
916 1 44 LEU HB2 1 44 LEU MD2 . . 3.560 3.185 3.178 3.190 . 0 0 "[ . 1 . 2]" 1
917 1 44 LEU HB3 1 44 LEU MD2 . . 3.150 2.338 2.297 2.361 . 0 0 "[ . 1 . 2]" 1
918 1 44 LEU MD2 1 58 LEU MD2 . . 3.750 2.963 2.706 3.262 . 0 0 "[ . 1 . 2]" 1
919 1 44 LEU MD2 1 53 ILE MG . . 3.120 2.480 2.329 2.805 . 0 0 "[ . 1 . 2]" 1
920 1 44 LEU MD2 1 67 ILE MG . . 3.390 2.546 2.263 2.852 . 0 0 "[ . 1 . 2]" 1
921 1 44 LEU MD2 1 67 ILE MD . . 3.150 1.983 1.918 2.108 . 0 0 "[ . 1 . 2]" 1
922 1 44 LEU MD2 1 56 TYR HB2 . . 3.790 2.056 1.882 2.344 . 0 0 "[ . 1 . 2]" 1
923 1 44 LEU MD2 1 46 LEU HG . . 5.500 4.993 4.893 5.161 . 0 0 "[ . 1 . 2]" 1
924 1 44 LEU MD2 1 53 ILE HB . . 5.500 4.610 4.147 5.069 . 0 0 "[ . 1 . 2]" 1
925 1 44 LEU MD2 1 58 LEU HB2 . . 5.500 5.153 4.726 5.494 . 0 0 "[ . 1 . 2]" 1
926 1 44 LEU MD2 1 67 ILE HB . . 4.580 4.295 4.120 4.464 . 0 0 "[ . 1 . 2]" 1
927 1 43 VAL MG1 1 44 LEU MD2 . . 3.740 2.546 2.462 2.656 . 0 0 "[ . 1 . 2]" 1
928 1 47 ALA MB 1 48 GLU H . . 3.540 3.228 2.998 3.387 . 0 0 "[ . 1 . 2]" 1
929 1 47 ALA MB 1 50 TYR QD . . 3.890 3.806 3.715 3.890 0.000 9 0 "[ . 1 . 2]" 1
930 1 47 ALA H 1 47 ALA MB . . 2.910 2.437 2.334 2.510 . 0 0 "[ . 1 . 2]" 1
931 1 44 LEU HA 1 47 ALA MB . . 4.220 2.900 2.735 3.054 . 0 0 "[ . 1 . 2]" 1
932 1 28 ILE HB 1 47 ALA MB . . 4.560 4.268 3.977 4.524 . 0 0 "[ . 1 . 2]" 1
933 1 79 VAL MG2 1 80 ASP H . . 3.750 2.159 2.003 2.338 . 0 0 "[ . 1 . 2]" 1
934 1 79 VAL MG2 1 97 ASP HA . . 3.990 3.920 3.785 3.992 0.002 11 0 "[ . 1 . 2]" 1
935 1 79 VAL MG2 1 80 ASP HA . . 3.960 3.030 2.945 3.168 . 0 0 "[ . 1 . 2]" 1
936 1 79 VAL MG2 1 83 LEU HG . . 4.370 4.211 3.800 4.369 . 0 0 "[ . 1 . 2]" 1
937 1 29 HIS HA 1 30 LEU H . . 3.270 2.147 2.139 2.177 . 0 0 "[ . 1 . 2]" 1
938 1 106 VAL HA 1 106 VAL MG1 . . 3.460 2.753 2.146 3.203 . 0 0 "[ . 1 . 2]" 1
939 1 55 ASN HA 1 55 ASN HD21 . . 4.580 3.368 2.724 4.343 . 0 0 "[ . 1 . 2]" 1
940 1 47 ALA HA 1 50 TYR QD . . 3.360 2.175 2.049 2.306 . 0 0 "[ . 1 . 2]" 1
941 1 47 ALA HA 1 78 MET ME . . 3.710 3.382 2.916 3.681 . 0 0 "[ . 1 . 2]" 1
942 1 85 LYS HA 1 86 ALA MB . . 3.990 3.952 3.904 3.995 0.005 4 0 "[ . 1 . 2]" 1
943 1 86 ALA MB 1 88 TRP HD1 . . 3.640 2.969 2.414 3.397 . 0 0 "[ . 1 . 2]" 1
944 1 48 GLU HB2 1 49 PRO HD3 . . 3.560 2.152 2.032 2.285 . 0 0 "[ . 1 . 2]" 1
945 1 48 GLU HB3 1 49 PRO HD3 . . 3.990 2.190 2.054 2.313 . 0 0 "[ . 1 . 2]" 1
946 1 49 PRO HD2 1 50 TYR QD . . 4.240 2.777 2.592 2.890 . 0 0 "[ . 1 . 2]" 1
947 1 48 GLU HB2 1 49 PRO HD2 . . 3.730 2.537 2.461 2.621 . 0 0 "[ . 1 . 2]" 1
948 1 48 GLU H 1 49 PRO HD2 . . 3.790 2.074 1.913 2.284 . 0 0 "[ . 1 . 2]" 1
949 1 67 ILE MG 1 68 GLU H . . 3.550 2.830 2.643 3.120 . 0 0 "[ . 1 . 2]" 1
950 1 67 ILE HA 1 67 ILE MG . . 3.320 2.337 2.231 2.468 . 0 0 "[ . 1 . 2]" 1
951 1 56 TYR HB2 1 67 ILE MG . . 4.260 3.482 3.049 3.804 . 0 0 "[ . 1 . 2]" 1
952 1 56 TYR HB3 1 67 ILE MG . . 4.260 3.279 2.858 3.623 . 0 0 "[ . 1 . 2]" 1
953 1 28 ILE HB 1 67 ILE MG . . 3.980 3.435 3.257 3.758 . 0 0 "[ . 1 . 2]" 1
954 1 53 ILE HG12 1 67 ILE MG . . 3.320 2.442 2.244 2.715 . 0 0 "[ . 1 . 2]" 1
955 1 67 ILE MD 1 67 ILE MG . . 2.860 2.056 1.931 2.315 . 0 0 "[ . 1 . 2]" 1
956 1 42 ALA H 1 42 ALA MB . . 2.940 2.177 2.033 2.231 . 0 0 "[ . 1 . 2]" 1
957 1 38 TYR QD 1 42 ALA MB . . 4.060 2.446 2.237 2.852 . 0 0 "[ . 1 . 2]" 1
958 1 42 ALA MB 1 89 PHE HZ . . 3.360 2.008 1.831 2.255 . 0 0 "[ . 1 . 2]" 1
959 1 42 ALA MB 1 89 PHE QE . . 3.410 2.023 1.907 2.503 . 0 0 "[ . 1 . 2]" 1
960 1 41 SER HB2 1 42 ALA MB . . 5.500 4.598 4.374 4.918 . 0 0 "[ . 1 . 2]" 1
961 1 41 SER HB3 1 42 ALA MB . . 5.500 4.276 4.002 5.409 . 0 0 "[ . 1 . 2]" 1
962 1 38 TYR HB2 1 42 ALA MB . . 3.510 2.394 2.093 2.562 . 0 0 "[ . 1 . 2]" 1
963 1 13 LYS HB2 1 14 PRO HD2 . . 5.500 4.057 2.038 4.843 . 0 0 "[ . 1 . 2]" 1
964 1 13 LYS HB3 1 14 PRO HD2 . . 5.500 3.851 2.022 4.824 . 0 0 "[ . 1 . 2]" 1
965 1 77 ALA H 1 77 ALA MB . . 2.820 2.055 2.030 2.139 . 0 0 "[ . 1 . 2]" 1
966 1 74 ASP HA 1 77 ALA MB . . 3.210 2.506 2.230 2.875 . 0 0 "[ . 1 . 2]" 1
967 1 50 TYR HB3 1 77 ALA MB . . 4.180 3.794 3.564 4.098 . 0 0 "[ . 1 . 2]" 1
968 1 76 MET H 1 77 ALA MB . . 4.830 4.260 4.110 4.436 . 0 0 "[ . 1 . 2]" 1
969 1 77 ALA MB 1 80 ASP H . . 5.340 4.735 4.588 4.883 . 0 0 "[ . 1 . 2]" 1
970 1 77 ALA MB 1 81 HIS H . . 4.560 4.503 4.321 4.562 0.002 19 0 "[ . 1 . 2]" 1
971 1 77 ALA MB 1 78 MET H . . 3.270 2.850 2.685 3.001 . 0 0 "[ . 1 . 2]" 1
972 1 50 TYR QD 1 77 ALA MB . . 3.290 2.289 2.006 2.690 . 0 0 "[ . 1 . 2]" 1
973 1 50 TYR HA 1 77 ALA MB . . 4.520 4.173 3.913 4.517 . 0 0 "[ . 1 . 2]" 1
974 1 77 ALA MB 1 80 ASP HB2 . . 5.500 4.471 4.016 4.881 . 0 0 "[ . 1 . 2]" 1
975 1 77 ALA MB 1 78 MET HA . . 4.030 3.788 3.691 3.877 . 0 0 "[ . 1 . 2]" 1
976 1 53 ILE MG 1 54 LYS H . . 3.400 3.211 3.094 3.402 0.002 19 0 "[ . 1 . 2]" 1
977 1 53 ILE MG 1 68 GLU H . . 4.420 3.903 3.558 4.294 . 0 0 "[ . 1 . 2]" 1
978 1 53 ILE MG 1 55 ASN H . . 3.340 2.330 2.178 2.585 . 0 0 "[ . 1 . 2]" 1
979 1 53 ILE MG 1 56 TYR QD . . 3.720 2.955 2.694 3.138 . 0 0 "[ . 1 . 2]" 1
980 1 53 ILE HA 1 53 ILE MG . . 3.320 2.402 2.332 2.450 . 0 0 "[ . 1 . 2]" 1
981 1 28 ILE MG 1 29 HIS H . . 3.470 2.976 2.562 3.174 . 0 0 "[ . 1 . 2]" 1
982 1 28 ILE MG 1 67 ILE H . . 4.210 3.481 3.241 3.869 . 0 0 "[ . 1 . 2]" 1
983 1 28 ILE HA 1 28 ILE MG . . 3.250 2.399 2.304 2.487 . 0 0 "[ . 1 . 2]" 1
984 1 28 ILE HG13 1 28 ILE MG . . 3.140 2.482 2.399 2.605 . 0 0 "[ . 1 . 2]" 1
985 1 28 ILE MG 1 47 ALA MB . . 4.530 3.707 3.360 3.951 . 0 0 "[ . 1 . 2]" 1
986 1 47 ALA MB 1 53 ILE MG . . 5.150 4.084 3.763 4.366 . 0 0 "[ . 1 . 2]" 1
987 1 28 ILE HG12 1 28 ILE MG . . 3.360 3.180 3.162 3.194 . 0 0 "[ . 1 . 2]" 1
988 1 50 TYR QE 1 77 ALA MB . . 3.570 3.065 2.592 3.555 . 0 0 "[ . 1 . 2]" 1
989 1 78 MET ME 1 78 MET HG2 . . 3.370 2.301 2.035 2.974 . 0 0 "[ . 1 . 2]" 1
990 1 78 MET ME 1 78 MET HG3 . . 3.370 2.648 2.208 2.931 . 0 0 "[ . 1 . 2]" 1
991 1 47 ALA MB 1 78 MET ME . . 3.190 2.683 2.276 3.190 0.000 15 0 "[ . 1 . 2]" 1
992 1 46 LEU HB2 1 78 MET ME . . 3.360 1.936 1.787 2.166 . 0 0 "[ . 1 . 2]" 1
993 1 78 MET ME 1 87 LEU MD2 . . 3.450 3.262 2.539 3.427 . 0 0 "[ . 1 . 2]" 1
994 1 28 ILE MG 1 78 MET ME . . 2.890 2.286 1.917 2.812 . 0 0 "[ . 1 . 2]" 1
995 1 78 MET ME 1 87 LEU MD1 . . 2.930 2.579 1.963 2.801 . 0 0 "[ . 1 . 2]" 1
996 1 46 LEU MD1 1 78 MET ME . . 4.030 2.075 1.807 2.326 . 0 0 "[ . 1 . 2]" 1
997 1 33 LEU HB3 1 34 PRO HD3 . . 4.050 3.529 3.446 3.665 . 0 0 "[ . 1 . 2]" 1
998 1 34 PRO HD3 1 89 PHE QD . . 4.050 2.436 2.003 2.884 . 0 0 "[ . 1 . 2]" 1
999 1 34 PRO HD2 1 89 PHE QD . . 4.120 2.397 2.042 2.883 . 0 0 "[ . 1 . 2]" 1
1000 1 33 LEU HA 1 34 PRO HD2 . . 3.600 2.383 2.295 2.438 . 0 0 "[ . 1 . 2]" 1
1001 1 33 LEU HB3 1 34 PRO HD2 . . 3.820 2.097 1.999 2.255 . 0 0 "[ . 1 . 2]" 1
1002 1 33 LEU HB2 1 34 PRO HD2 . . 4.210 3.687 3.606 3.798 . 0 0 "[ . 1 . 2]" 1
1003 1 34 PRO HD2 1 89 PHE QE . . 4.230 2.517 2.002 3.103 . 0 0 "[ . 1 . 2]" 1
1004 1 59 MET ME 1 66 PHE QD . . 3.680 2.233 1.994 2.520 . 0 0 "[ . 1 . 2]" 1
1005 1 59 MET ME 1 66 PHE QE . . 3.900 2.229 1.831 3.131 . 0 0 "[ . 1 . 2]" 1
1006 1 59 MET ME 1 65 ALA HA . . 4.210 4.146 3.919 4.212 0.002 17 0 "[ . 1 . 2]" 1
1007 1 59 MET ME 1 59 MET HG2 . . 3.590 2.782 2.276 3.129 . 0 0 "[ . 1 . 2]" 1
1008 1 59 MET ME 1 59 MET HG3 . . 3.590 2.307 2.127 2.847 . 0 0 "[ . 1 . 2]" 1
1009 1 57 ILE MG 1 59 MET ME . . 3.050 1.849 1.678 2.006 . 0 0 "[ . 1 . 2]" 1
1010 1 57 ILE MD 1 59 MET ME . . 3.500 3.259 2.961 3.500 0.000 4 0 "[ . 1 . 2]" 1
1011 1 75 ALA MB 1 76 MET H . . 3.280 2.526 2.214 2.752 . 0 0 "[ . 1 . 2]" 1
1012 1 26 ARG HA 1 75 ALA MB . . 4.230 3.690 3.438 3.928 . 0 0 "[ . 1 . 2]" 1
1013 1 28 ILE HA 1 75 ALA MB . . 4.650 4.111 3.905 4.385 . 0 0 "[ . 1 . 2]" 1
1014 1 75 ALA MB 1 76 MET HA . . 4.100 3.708 3.609 3.838 . 0 0 "[ . 1 . 2]" 1
1015 1 69 MET HG2 1 75 ALA MB . . 3.590 2.530 1.961 3.521 . 0 0 "[ . 1 . 2]" 1
1016 1 69 MET HG3 1 75 ALA MB . . 3.590 2.393 1.945 2.786 . 0 0 "[ . 1 . 2]" 1
1017 1 28 ILE HG13 1 75 ALA MB . . 3.710 3.185 2.780 3.686 . 0 0 "[ . 1 . 2]" 1
1018 1 28 ILE MD 1 75 ALA MB . . 3.220 2.046 1.893 2.345 . 0 0 "[ . 1 . 2]" 1
1019 1 57 ILE MG 1 58 LEU H . . 3.450 2.658 2.380 2.799 . 0 0 "[ . 1 . 2]" 1
1020 1 57 ILE MG 1 66 PHE H . . 3.520 2.903 2.756 3.183 . 0 0 "[ . 1 . 2]" 1
1021 1 57 ILE MG 1 66 PHE QD . . 3.680 2.346 2.072 2.970 . 0 0 "[ . 1 . 2]" 1
1022 1 57 ILE HA 1 57 ILE MG . . 3.340 2.488 2.466 2.509 . 0 0 "[ . 1 . 2]" 1
1023 1 57 ILE MG 1 66 PHE HB2 . . 3.790 3.390 3.249 3.681 . 0 0 "[ . 1 . 2]" 1
1024 1 57 ILE MG 1 59 MET HG2 . . 3.630 2.909 1.970 3.578 . 0 0 "[ . 1 . 2]" 1
1025 1 57 ILE MG 1 59 MET HG3 . . 3.630 2.022 1.904 2.354 . 0 0 "[ . 1 . 2]" 1
1026 1 57 ILE HG13 1 57 ILE MG . . 3.470 2.501 2.437 2.568 . 0 0 "[ . 1 . 2]" 1
1027 1 57 ILE MD 1 57 ILE MG . . 3.010 1.893 1.850 1.947 . 0 0 "[ . 1 . 2]" 1
1028 1 57 ILE MG 1 105 LEU MD1 . . 3.950 3.848 3.673 3.950 . 0 0 "[ . 1 . 2]" 1
1029 1 57 ILE MG 1 105 LEU MD2 . . 3.870 3.640 3.199 3.800 . 0 0 "[ . 1 . 2]" 1
1030 1 61 MET HA 1 61 MET ME . . 4.140 3.214 1.965 4.067 . 0 0 "[ . 1 . 2]" 1
1031 1 69 MET ME 1 70 GLU H . . 3.760 3.006 2.802 3.317 . 0 0 "[ . 1 . 2]" 1
1032 1 52 LYS H 1 69 MET ME . . 4.710 3.943 3.706 4.197 . 0 0 "[ . 1 . 2]" 1
1033 1 69 MET ME 1 71 THR H . . 5.240 4.310 4.016 4.671 . 0 0 "[ . 1 . 2]" 1
1034 1 50 TYR H 1 69 MET ME . . 3.930 3.404 3.168 3.619 . 0 0 "[ . 1 . 2]" 1
1035 1 48 GLU H 1 69 MET ME . . 4.670 4.513 4.307 4.620 . 0 0 "[ . 1 . 2]" 1
1036 1 51 GLY H 1 69 MET ME . . 3.390 2.366 2.052 2.666 . 0 0 "[ . 1 . 2]" 1
1037 1 50 TYR QD 1 69 MET ME . . 4.370 3.875 3.747 4.039 . 0 0 "[ . 1 . 2]" 1
1038 1 69 MET HA 1 69 MET ME . . 3.650 2.612 2.379 2.769 . 0 0 "[ . 1 . 2]" 1
1039 1 47 ALA HA 1 69 MET ME . . 4.180 2.949 2.782 3.147 . 0 0 "[ . 1 . 2]" 1
1040 1 69 MET ME 1 74 ASP HA . . 4.640 4.506 4.280 4.639 . 0 0 "[ . 1 . 2]" 1
1041 1 51 GLY HA3 1 69 MET ME . . 3.900 2.277 1.988 2.517 . 0 0 "[ . 1 . 2]" 1
1042 1 53 ILE HA 1 69 MET ME . . 3.940 3.648 3.177 3.867 . 0 0 "[ . 1 . 2]" 1
1043 1 69 MET ME 1 75 ALA HA . . 4.190 4.048 3.795 4.195 0.005 17 0 "[ . 1 . 2]" 1
1044 1 51 GLY HA2 1 69 MET ME . . 3.900 3.546 3.304 3.797 . 0 0 "[ . 1 . 2]" 1
1045 1 50 TYR HB3 1 69 MET ME . . 3.670 2.712 2.478 3.064 . 0 0 "[ . 1 . 2]" 1
1046 1 69 MET ME 1 74 ASP HB2 . . 3.460 2.964 2.624 3.190 . 0 0 "[ . 1 . 2]" 1
1047 1 50 TYR HB2 1 69 MET ME . . 3.050 2.096 1.976 2.336 . 0 0 "[ . 1 . 2]" 1
1048 1 69 MET ME 1 74 ASP HB3 . . 3.460 2.549 2.344 2.669 . 0 0 "[ . 1 . 2]" 1
1049 1 47 ALA MB 1 69 MET ME . . 2.930 2.209 2.110 2.346 . 0 0 "[ . 1 . 2]" 1
1050 1 53 ILE HG12 1 69 MET ME . . 3.800 3.692 3.104 3.804 0.004 20 0 "[ . 1 . 2]" 1
1051 1 67 ILE MG 1 69 MET ME . . 3.490 3.269 3.144 3.460 . 0 0 "[ . 1 . 2]" 1
1052 1 76 MET HA 1 76 MET ME . . 3.580 3.286 2.990 3.495 . 0 0 "[ . 1 . 2]" 1
1053 1 76 MET ME 1 76 MET HG3 . . 3.500 2.956 2.872 3.068 . 0 0 "[ . 1 . 2]" 1
1054 1 76 MET ME 1 79 VAL MG2 . . 3.840 3.600 3.227 3.837 . 0 0 "[ . 1 . 2]" 1
1055 1 76 MET ME 1 98 LEU MD1 . . 3.540 2.052 1.821 2.340 . 0 0 "[ . 1 . 2]" 1
1056 1 76 MET ME 1 98 LEU MD2 . . 3.730 1.831 1.682 2.041 . 0 0 "[ . 1 . 2]" 1
1057 1 76 MET H 1 76 MET ME . . 4.060 3.959 3.751 4.061 0.001 3 0 "[ . 1 . 2]" 1
1058 1 72 ARG HA 1 76 MET ME . . 4.510 4.221 3.893 4.477 . 0 0 "[ . 1 . 2]" 1
1059 1 76 MET ME 1 79 VAL MG1 . . 4.540 4.210 3.867 4.529 . 0 0 "[ . 1 . 2]" 1
1060 1 49 PRO HD3 1 50 TYR QD . . 4.510 4.409 4.215 4.511 0.001 17 0 "[ . 1 . 2]" 1
1061 1 47 ALA HA 1 49 PRO HD2 . . 4.640 3.769 3.711 3.814 . 0 0 "[ . 1 . 2]" 1
1062 1 47 ALA MB 1 48 GLU HA . . 4.380 3.920 3.827 4.006 . 0 0 "[ . 1 . 2]" 1
1063 1 48 GLU HA 1 53 ILE HG13 . . 4.480 3.477 3.139 4.042 . 0 0 "[ . 1 . 2]" 1
1064 1 48 GLU HA 1 69 MET ME . . 4.640 4.021 3.722 4.219 . 0 0 "[ . 1 . 2]" 1
1065 1 44 LEU MD2 1 56 TYR HA . . 4.730 3.836 3.687 4.138 . 0 0 "[ . 1 . 2]" 1
1066 1 44 LEU MD2 1 45 LYS H . . 4.650 4.625 4.545 4.671 0.021 16 0 "[ . 1 . 2]" 1
1067 1 44 LEU MD2 1 57 ILE H . . 4.700 4.079 3.896 4.256 . 0 0 "[ . 1 . 2]" 1
1068 1 44 LEU MD2 1 67 ILE HA . . 4.590 3.856 3.674 4.019 . 0 0 "[ . 1 . 2]" 1
1069 1 38 TYR QE 1 43 VAL MG1 . . 4.580 4.260 4.136 4.413 . 0 0 "[ . 1 . 2]" 1
1070 1 43 VAL MG1 1 89 PHE QE . . 5.010 4.502 4.009 4.947 . 0 0 "[ . 1 . 2]" 1
1071 1 43 VAL MG1 1 56 TYR QD . . 4.730 4.186 4.098 4.299 . 0 0 "[ . 1 . 2]" 1
1072 1 40 ASP HA 1 43 VAL MG1 . . 4.630 4.410 4.278 4.578 . 0 0 "[ . 1 . 2]" 1
1073 1 43 VAL MG1 1 44 LEU HA . . 4.260 3.442 3.358 3.489 . 0 0 "[ . 1 . 2]" 1
1074 1 39 SER HB3 1 40 ASP H . . 4.570 3.312 2.724 4.214 . 0 0 "[ . 1 . 2]" 1
1075 1 39 SER HB3 1 42 ALA H . . 4.900 3.682 2.993 4.751 . 0 0 "[ . 1 . 2]" 1
1076 1 39 SER HB2 1 40 ASP H . . 4.570 3.807 2.488 4.284 . 0 0 "[ . 1 . 2]" 1
1077 1 39 SER HB2 1 42 ALA H . . 4.900 4.112 3.595 4.559 . 0 0 "[ . 1 . 2]" 1
1078 1 36 SER HA 1 38 TYR QD . . 4.680 4.547 4.302 4.664 . 0 0 "[ . 1 . 2]" 1
1079 1 36 SER HA 1 38 TYR QE . . 5.500 5.362 4.984 5.504 0.004 12 0 "[ . 1 . 2]" 1
1080 1 74 ASP HA 1 76 MET H . . 5.120 4.507 4.188 4.866 . 0 0 "[ . 1 . 2]" 1
1081 1 33 LEU HA 1 92 ARG HB3 . . 5.500 4.471 3.901 4.852 . 0 0 "[ . 1 . 2]" 1
1082 1 33 LEU HA 1 89 PHE QD . . 4.740 3.609 3.291 3.924 . 0 0 "[ . 1 . 2]" 1
1083 1 33 LEU MD1 1 34 PRO HD2 . . 4.360 3.894 3.648 4.237 . 0 0 "[ . 1 . 2]" 1
1084 1 33 LEU MD1 1 58 LEU HA . . 4.400 4.243 4.026 4.398 . 0 0 "[ . 1 . 2]" 1
1085 1 33 LEU MD1 1 89 PHE QE . . 5.030 4.412 3.684 5.014 . 0 0 "[ . 1 . 2]" 1
1086 1 31 SER H 1 33 LEU MD1 . . 5.370 4.979 4.741 5.305 . 0 0 "[ . 1 . 2]" 1
1087 1 33 LEU MD1 1 59 MET H . . 5.500 4.284 4.027 4.530 . 0 0 "[ . 1 . 2]" 1
1088 1 31 SER HB2 1 95 LYS HB2 . . 4.670 3.312 2.543 4.438 . 0 0 "[ . 1 . 2]" 1
1089 1 31 SER HB3 1 95 LYS HB2 . . 4.670 4.436 4.085 4.675 0.005 1 0 "[ . 1 . 2]" 1
1090 1 31 SER HB3 1 95 LYS HB3 . . 4.640 4.368 4.039 4.646 0.006 9 0 "[ . 1 . 2]" 1
1091 1 29 HIS HB2 1 66 PHE QE . . 5.320 3.126 2.439 3.909 . 0 0 "[ . 1 . 2]" 1
1092 1 29 HIS H 1 29 HIS HB2 . . 4.100 2.541 2.358 2.929 . 0 0 "[ . 1 . 2]" 1
1093 1 29 HIS HB3 1 66 PHE QD . . 5.290 4.777 4.203 5.230 . 0 0 "[ . 1 . 2]" 1
1094 1 29 HIS HB3 1 66 PHE QE . . 5.500 4.403 3.907 4.910 . 0 0 "[ . 1 . 2]" 1
1095 1 28 ILE MD 1 75 ALA H . . 4.590 4.258 4.030 4.392 . 0 0 "[ . 1 . 2]" 1
1096 1 28 ILE MD 1 99 SER H . . 4.920 4.785 4.685 4.913 . 0 0 "[ . 1 . 2]" 1
1097 1 26 ARG H 1 26 ARG HG2 . . 4.410 3.800 1.929 4.433 0.023 19 0 "[ . 1 . 2]" 1
1098 1 25 GLY HA3 1 103 LYS HD2 . . 5.500 4.341 2.613 5.148 . 0 0 "[ . 1 . 2]" 1
1099 1 25 GLY HA3 1 103 LYS HD3 . . 5.500 4.028 2.351 4.665 . 0 0 "[ . 1 . 2]" 1
1100 1 24 LEU HB2 1 72 ARG HD3 . . 4.660 3.420 2.046 4.396 . 0 0 "[ . 1 . 2]" 1
1101 1 53 ILE HB 1 54 LYS H . . 4.710 4.471 4.428 4.497 . 0 0 "[ . 1 . 2]" 1
1102 1 44 LEU MD2 1 53 ILE MD . . 3.350 3.251 3.038 3.368 0.018 16 0 "[ . 1 . 2]" 1
1103 1 44 LEU MD1 1 53 ILE MD . . 3.610 2.492 2.117 3.240 . 0 0 "[ . 1 . 2]" 1
1104 1 47 ALA MB 1 53 ILE MD . . 3.310 3.109 2.746 3.314 0.004 15 0 "[ . 1 . 2]" 1
1105 1 53 ILE HB 1 53 ILE MD . . 3.070 2.212 2.021 2.309 . 0 0 "[ . 1 . 2]" 1
1106 1 48 GLU HG2 1 53 ILE MD . . 3.780 2.111 1.885 2.336 . 0 0 "[ . 1 . 2]" 1
1107 1 48 GLU HG3 1 53 ILE MD . . 3.780 3.213 2.676 3.714 . 0 0 "[ . 1 . 2]" 1
1108 1 44 LEU HA 1 53 ILE MD . . 3.660 3.524 3.358 3.653 . 0 0 "[ . 1 . 2]" 1
1109 1 48 GLU HA 1 53 ILE MD . . 3.590 2.498 2.032 2.838 . 0 0 "[ . 1 . 2]" 1
1110 1 47 ALA H 1 53 ILE MD . . 4.200 4.006 3.734 4.135 . 0 0 "[ . 1 . 2]" 1
1111 1 53 ILE H 1 53 ILE MD . . 3.740 2.867 2.368 3.285 . 0 0 "[ . 1 . 2]" 1
1112 1 53 ILE MD 1 54 LYS H . . 5.500 5.478 5.292 5.522 0.022 18 0 "[ . 1 . 2]" 1
1113 1 28 ILE HB 1 67 ILE HA . . 5.300 4.369 4.209 4.554 . 0 0 "[ . 1 . 2]" 1
1114 1 67 ILE HA 1 68 GLU HB3 . . 5.500 4.518 4.437 4.642 . 0 0 "[ . 1 . 2]" 1
1115 1 28 ILE H 1 67 ILE HB . . 4.470 3.850 3.682 3.997 . 0 0 "[ . 1 . 2]" 1
1116 1 67 ILE MG 1 69 MET HG2 . . 4.670 3.581 2.881 4.042 . 0 0 "[ . 1 . 2]" 1
1117 1 53 ILE HA 1 67 ILE MG . . 4.500 3.517 3.372 3.665 . 0 0 "[ . 1 . 2]" 1
1118 1 56 TYR HA 1 67 ILE MG . . 4.430 3.625 3.328 3.850 . 0 0 "[ . 1 . 2]" 1
1119 1 56 TYR QD 1 67 ILE MG . . 5.070 4.753 4.436 5.006 . 0 0 "[ . 1 . 2]" 1
1120 1 55 ASN H 1 67 ILE MG . . 4.650 4.136 3.849 4.340 . 0 0 "[ . 1 . 2]" 1
1121 1 67 ILE H 1 67 ILE MG . . 4.440 3.844 3.788 3.952 . 0 0 "[ . 1 . 2]" 1
1122 1 28 ILE H 1 67 ILE MG . . 4.770 4.359 4.176 4.501 . 0 0 "[ . 1 . 2]" 1
1123 1 56 TYR HA 1 67 ILE MD . . 5.140 4.987 4.838 5.141 0.001 14 0 "[ . 1 . 2]" 1
1124 1 56 TYR QD 1 67 ILE MD . . 4.790 4.777 4.725 4.797 0.007 17 0 "[ . 1 . 2]" 1
1125 1 47 ALA H 1 67 ILE MD . . 4.400 3.965 3.627 4.256 . 0 0 "[ . 1 . 2]" 1
1126 1 57 ILE H 1 67 ILE MD . . 5.180 4.994 4.852 5.088 . 0 0 "[ . 1 . 2]" 1
1127 1 67 ILE H 1 67 ILE MD . . 4.260 3.904 3.663 4.268 0.008 4 0 "[ . 1 . 2]" 1
1128 1 56 TYR HB2 1 67 ILE HG13 . . 5.100 3.722 3.515 3.861 . 0 0 "[ . 1 . 2]" 1
1129 1 57 ILE H 1 67 ILE HG13 . . 4.980 3.989 3.796 4.198 . 0 0 "[ . 1 . 2]" 1
1130 1 57 ILE H 1 67 ILE HG12 . . 4.980 3.802 3.667 3.900 . 0 0 "[ . 1 . 2]" 1
1131 1 27 VAL MG2 1 68 GLU HA . . 4.460 3.420 3.252 3.762 . 0 0 "[ . 1 . 2]" 1
1132 1 55 ASN H 1 68 GLU HB2 . . 4.990 4.809 4.462 4.979 . 0 0 "[ . 1 . 2]" 1
1133 1 27 VAL HA 1 68 GLU HB3 . . 5.000 4.806 4.629 4.951 . 0 0 "[ . 1 . 2]" 1
1134 1 53 ILE HG12 1 69 MET HA . . 5.040 4.797 4.498 4.992 . 0 0 "[ . 1 . 2]" 1
1135 1 47 ALA MB 1 69 MET HA . . 5.120 4.398 4.226 4.520 . 0 0 "[ . 1 . 2]" 1
1136 1 54 LYS HB2 1 69 MET HA . . 5.500 4.553 4.464 4.711 . 0 0 "[ . 1 . 2]" 1
1137 1 69 MET HB2 1 75 ALA MB . . 4.470 2.343 2.022 2.666 . 0 0 "[ . 1 . 2]" 1
1138 1 71 THR HA 1 72 ARG HB2 . . 5.500 4.480 4.350 4.619 . 0 0 "[ . 1 . 2]" 1
1139 1 71 THR MG 1 74 ASP H . . 4.370 4.239 3.978 4.371 0.001 4 0 "[ . 1 . 2]" 1
1140 1 70 GLU H 1 71 THR MG . . 4.660 4.064 3.876 4.232 . 0 0 "[ . 1 . 2]" 1
1141 1 50 TYR QD 1 78 MET HA . . 4.420 3.141 2.843 3.500 . 0 0 "[ . 1 . 2]" 1
1142 1 86 ALA HA 1 87 LEU HB3 . . 5.040 4.946 4.846 5.037 . 0 0 "[ . 1 . 2]" 1
1143 1 86 ALA HA 1 87 LEU HB2 . . 5.040 4.283 4.216 4.367 . 0 0 "[ . 1 . 2]" 1
1144 1 88 TRP HB2 1 89 PHE H . . 4.590 4.334 4.167 4.493 . 0 0 "[ . 1 . 2]" 1
1145 1 89 PHE HA 1 89 PHE QD . . 4.130 2.310 2.138 2.496 . 0 0 "[ . 1 . 2]" 1
1146 1 88 TRP HH2 1 92 ARG HA . . 4.600 4.485 4.134 4.606 0.006 18 0 "[ . 1 . 2]" 1
1147 1 96 VAL MG2 1 97 ASP HA . . 4.370 3.489 3.300 3.676 . 0 0 "[ . 1 . 2]" 1
1148 1 30 LEU HA 1 96 VAL MG2 . . 4.780 4.052 3.653 4.318 . 0 0 "[ . 1 . 2]" 1
1149 1 79 VAL H 1 96 VAL MG2 . . 4.520 3.406 2.973 3.674 . 0 0 "[ . 1 . 2]" 1
1150 1 29 HIS H 1 96 VAL MG2 . . 4.930 4.032 3.723 4.304 . 0 0 "[ . 1 . 2]" 1
1151 1 98 LEU HA 1 98 LEU MD1 . . 3.900 3.179 3.076 3.295 . 0 0 "[ . 1 . 2]" 1
1152 1 98 LEU HA 1 98 LEU MD2 . . 4.240 3.387 3.280 3.473 . 0 0 "[ . 1 . 2]" 1
1153 1 29 HIS HB2 1 99 SER HA . . 4.610 3.846 3.063 4.498 . 0 0 "[ . 1 . 2]" 1
1154 1 102 TYR HA 1 102 TYR QD . . 4.130 2.521 1.998 3.125 . 0 0 "[ . 1 . 2]" 1
1155 1 49 PRO HB2 1 50 TYR HA . . 5.100 4.359 4.329 4.384 . 0 0 "[ . 1 . 2]" 1
1156 1 50 TYR HA 1 50 TYR QE . . 5.040 4.593 4.568 4.642 . 0 0 "[ . 1 . 2]" 1
1157 1 50 TYR HA 1 50 TYR QD . . 3.450 2.976 2.889 3.078 . 0 0 "[ . 1 . 2]" 1
1158 1 48 GLU H 1 50 TYR QD . . 5.220 3.639 3.375 3.934 . 0 0 "[ . 1 . 2]" 1
1159 1 50 TYR QD 1 78 MET H . . 5.500 3.266 3.069 3.493 . 0 0 "[ . 1 . 2]" 1
1160 1 50 TYR QE 1 78 MET HA . . 4.430 2.338 2.118 2.645 . 0 0 "[ . 1 . 2]" 1
1161 1 49 PRO HD2 1 50 TYR QE . . 4.690 3.995 3.687 4.187 . 0 0 "[ . 1 . 2]" 1
1162 1 47 ALA HA 1 50 TYR QE . . 4.400 3.974 3.810 4.088 . 0 0 "[ . 1 . 2]" 1
1163 1 49 PRO HA 1 51 GLY H . . 4.810 4.461 4.368 4.582 . 0 0 "[ . 1 . 2]" 1
1164 1 49 PRO HB2 1 50 TYR QE . . 4.950 4.828 4.537 4.942 . 0 0 "[ . 1 . 2]" 1
1165 1 49 PRO HB2 1 50 TYR QD . . 4.960 4.361 4.166 4.478 . 0 0 "[ . 1 . 2]" 1
1166 1 49 PRO HB3 1 50 TYR H . . 4.620 4.501 4.469 4.511 . 0 0 "[ . 1 . 2]" 1
1167 1 45 LYS HA 1 48 GLU HA . . 5.050 4.869 4.616 5.033 . 0 0 "[ . 1 . 2]" 1
1168 1 47 ALA MB 1 48 GLU HB2 . . 5.210 4.858 4.743 4.968 . 0 0 "[ . 1 . 2]" 1
1169 1 48 GLU HB2 1 53 ILE MD . . 4.540 3.875 3.669 4.105 . 0 0 "[ . 1 . 2]" 1
1170 1 48 GLU HB3 1 53 ILE MD . . 5.010 4.282 4.022 4.491 . 0 0 "[ . 1 . 2]" 1
1171 1 28 ILE MD 1 47 ALA HA . . 5.500 5.455 5.379 5.506 0.006 1 0 "[ . 1 . 2]" 1
1172 1 47 ALA HA 1 53 ILE MD . . 5.500 5.074 4.616 5.348 . 0 0 "[ . 1 . 2]" 1
1173 1 46 LEU H 1 46 LEU HB3 . . 3.920 3.196 3.070 3.307 . 0 0 "[ . 1 . 2]" 1
1174 1 30 LEU MD2 1 46 LEU HB3 . . 5.030 4.852 4.654 5.013 . 0 0 "[ . 1 . 2]" 1
1175 1 46 LEU HB2 1 87 LEU MD2 . . 4.670 2.814 2.584 3.044 . 0 0 "[ . 1 . 2]" 1
1176 1 46 LEU MD1 1 89 PHE HB3 . . 4.300 4.144 3.890 4.299 . 0 0 "[ . 1 . 2]" 1
1177 1 46 LEU MD1 1 89 PHE QE . . 5.130 4.875 4.565 5.125 . 0 0 "[ . 1 . 2]" 1
1178 1 46 LEU MD2 1 89 PHE HB3 . . 4.320 4.009 3.545 4.316 . 0 0 "[ . 1 . 2]" 1
1179 1 46 LEU MD2 1 89 PHE QE . . 4.350 3.552 3.210 4.056 . 0 0 "[ . 1 . 2]" 1
1180 1 62 LYS H 1 62 LYS HG2 . . 4.730 4.293 3.462 4.740 0.010 11 0 "[ . 1 . 2]" 1
1181 1 62 LYS H 1 62 LYS HG3 . . 4.730 3.461 2.802 4.501 . 0 0 "[ . 1 . 2]" 1
1182 1 45 LYS H 1 45 LYS HD2 . . 5.500 4.768 3.228 5.468 . 0 0 "[ . 1 . 2]" 1
1183 1 45 LYS H 1 45 LYS HD3 . . 5.500 4.558 2.664 5.263 . 0 0 "[ . 1 . 2]" 1
1184 1 44 LEU HA 1 46 LEU H . . 4.420 3.550 3.333 3.895 . 0 0 "[ . 1 . 2]" 1
1185 1 44 LEU HB2 1 53 ILE MD . . 4.500 2.733 2.486 3.277 . 0 0 "[ . 1 . 2]" 1
1186 1 44 LEU HB3 1 45 LYS H . . 4.490 4.304 4.113 4.359 . 0 0 "[ . 1 . 2]" 1
1187 1 44 LEU H 1 44 LEU HB3 . . 4.010 3.646 3.636 3.656 . 0 0 "[ . 1 . 2]" 1
1188 1 42 ALA H 1 44 LEU HG . . 5.370 4.866 4.653 5.084 . 0 0 "[ . 1 . 2]" 1
1189 1 42 ALA H 1 44 LEU MD1 . . 5.390 5.056 4.862 5.297 . 0 0 "[ . 1 . 2]" 1
1190 1 43 VAL H 1 44 LEU MD1 . . 4.830 4.750 4.663 4.827 . 0 0 "[ . 1 . 2]" 1
1191 1 44 LEU MD1 1 56 TYR HB2 . . 5.210 3.612 3.405 3.922 . 0 0 "[ . 1 . 2]" 1
1192 1 40 ASP HB3 1 44 LEU MD1 . . 4.620 4.488 4.295 4.616 . 0 0 "[ . 1 . 2]" 1
1193 1 43 VAL HB 1 44 LEU MD2 . . 4.550 3.370 3.081 3.521 . 0 0 "[ . 1 . 2]" 1
1194 1 41 SER HA 1 44 LEU MD2 . . 4.430 4.189 4.036 4.362 . 0 0 "[ . 1 . 2]" 1
1195 1 43 VAL H 1 44 LEU MD2 . . 5.040 4.496 4.215 4.637 . 0 0 "[ . 1 . 2]" 1
1196 1 43 VAL HA 1 44 LEU HG . . 5.500 5.036 4.976 5.155 . 0 0 "[ . 1 . 2]" 1
1197 1 43 VAL HA 1 65 ALA MB . . 5.500 5.384 5.053 5.503 0.003 19 0 "[ . 1 . 2]" 1
1198 1 43 VAL HA 1 89 PHE QE . . 4.910 3.622 3.214 4.062 . 0 0 "[ . 1 . 2]" 1
1199 1 43 VAL HA 1 45 LYS H . . 4.660 3.913 3.857 4.092 . 0 0 "[ . 1 . 2]" 1
1200 1 43 VAL HB 1 58 LEU MD2 . . 4.400 2.130 1.958 2.397 . 0 0 "[ . 1 . 2]" 1
1201 1 43 VAL MG2 1 44 LEU H . . 4.170 4.135 4.073 4.178 0.008 1 0 "[ . 1 . 2]" 1
1202 1 42 ALA H 1 43 VAL MG2 . . 4.910 4.600 4.479 4.773 . 0 0 "[ . 1 . 2]" 1
1203 1 42 ALA MB 1 43 VAL MG2 . . 3.690 3.119 3.052 3.231 . 0 0 "[ . 1 . 2]" 1
1204 1 33 LEU MD1 1 43 VAL MG2 . . 3.880 2.697 2.409 3.109 . 0 0 "[ . 1 . 2]" 1
1205 1 41 SER HB2 1 44 LEU HG . . 5.500 5.301 4.973 5.436 . 0 0 "[ . 1 . 2]" 1
1206 1 41 SER HB3 1 44 LEU HG . . 5.500 5.281 4.873 5.425 . 0 0 "[ . 1 . 2]" 1
1207 1 40 ASP HA 1 43 VAL HB . . 4.440 3.051 2.922 3.238 . 0 0 "[ . 1 . 2]" 1
1208 1 40 ASP HA 1 56 TYR QE . . 4.880 4.050 3.842 4.276 . 0 0 "[ . 1 . 2]" 1
1209 1 40 ASP HA 1 43 VAL H . . 4.500 3.408 3.216 3.593 . 0 0 "[ . 1 . 2]" 1
1210 1 40 ASP HB2 1 58 LEU MD1 . . 4.920 4.829 4.600 4.921 0.001 9 0 "[ . 1 . 2]" 1
1211 1 38 TYR HB2 1 89 PHE HZ . . 4.170 3.423 2.631 4.061 . 0 0 "[ . 1 . 2]" 1
1212 1 38 TYR HB2 1 89 PHE QE . . 5.500 4.385 3.879 4.776 . 0 0 "[ . 1 . 2]" 1
1213 1 38 TYR HB2 1 43 VAL MG2 . . 4.900 4.688 4.328 4.902 0.002 1 0 "[ . 1 . 2]" 1
1214 1 38 TYR QD 1 40 ASP HA . . 4.770 3.941 3.815 4.154 . 0 0 "[ . 1 . 2]" 1
1215 1 38 TYR HA 1 38 TYR QD . . 4.540 3.731 3.714 3.738 . 0 0 "[ . 1 . 2]" 1
1216 1 33 LEU HB3 1 38 TYR QE . . 5.180 4.009 3.861 4.183 . 0 0 "[ . 1 . 2]" 1
1217 1 33 LEU MD1 1 38 TYR QE . . 4.410 4.056 3.693 4.351 . 0 0 "[ . 1 . 2]" 1
1218 1 38 TYR QE 1 40 ASP HA . . 4.790 4.057 3.820 4.562 . 0 0 "[ . 1 . 2]" 1
1219 1 34 PRO HD2 1 94 VAL MG1 . . 5.090 4.908 4.527 5.093 0.003 12 0 "[ . 1 . 2]" 1
1220 1 34 PRO HD3 1 38 TYR QE . . 5.250 4.793 4.634 4.918 . 0 0 "[ . 1 . 2]" 1
1221 1 34 PRO HD3 1 89 PHE QE . . 5.410 3.668 3.228 4.392 . 0 0 "[ . 1 . 2]" 1
1222 1 33 LEU H 1 34 PRO HD3 . . 5.340 5.046 4.997 5.074 . 0 0 "[ . 1 . 2]" 1
1223 1 33 LEU HA 1 34 PRO HD3 . . 3.130 2.295 2.267 2.315 . 0 0 "[ . 1 . 2]" 1
1224 1 33 LEU HB2 1 34 PRO HD3 . . 4.800 4.735 4.684 4.800 . 0 0 "[ . 1 . 2]" 1
1225 1 34 PRO HD3 1 94 VAL MG1 . . 5.020 4.299 3.838 4.554 . 0 0 "[ . 1 . 2]" 1
1226 1 34 PRO HD3 1 94 VAL MG2 . . 5.420 4.272 4.021 4.730 . 0 0 "[ . 1 . 2]" 1
1227 1 34 PRO HB3 1 38 TYR QE . . 4.410 4.180 3.877 4.400 . 0 0 "[ . 1 . 2]" 1
1228 1 34 PRO HB3 1 38 TYR QD . . 5.360 5.159 4.948 5.359 . 0 0 "[ . 1 . 2]" 1
1229 1 34 PRO HB3 1 36 SER H . . 4.830 4.737 4.517 4.831 0.001 13 0 "[ . 1 . 2]" 1
1230 1 34 PRO HA 1 92 ARG HG3 . . 4.930 3.340 2.369 3.859 . 0 0 "[ . 1 . 2]" 1
1231 1 34 PRO HA 1 92 ARG HG2 . . 4.930 4.679 4.015 4.944 0.014 12 0 "[ . 1 . 2]" 1
1232 1 33 LEU HA 1 34 PRO HG2 . . 5.290 4.499 4.428 4.544 . 0 0 "[ . 1 . 2]" 1
1233 1 33 LEU HA 1 34 PRO HG3 . . 5.290 4.463 4.413 4.495 . 0 0 "[ . 1 . 2]" 1
1234 1 32 ASN H 1 33 LEU HG . . 5.330 4.281 4.037 4.474 . 0 0 "[ . 1 . 2]" 1
1235 1 33 LEU HG 1 65 ALA H . . 5.500 4.449 4.134 4.727 . 0 0 "[ . 1 . 2]" 1
1236 1 33 LEU HG 1 94 VAL MG2 . . 4.630 2.622 2.200 3.085 . 0 0 "[ . 1 . 2]" 1
1237 1 33 LEU HG 1 34 PRO HD2 . . 5.040 4.224 4.123 4.404 . 0 0 "[ . 1 . 2]" 1
1238 1 30 LEU HA 1 33 LEU MD2 . . 5.170 4.364 4.082 4.593 . 0 0 "[ . 1 . 2]" 1
1239 1 33 LEU MD2 1 64 GLN HA . . 5.500 4.842 4.577 5.066 . 0 0 "[ . 1 . 2]" 1
1240 1 33 LEU MD2 1 89 PHE HB3 . . 4.490 3.797 3.581 4.023 . 0 0 "[ . 1 . 2]" 1
1241 1 31 SER H 1 33 LEU MD2 . . 5.030 4.740 4.203 5.012 . 0 0 "[ . 1 . 2]" 1
1242 1 32 ASN H 1 33 LEU MD2 . . 5.500 5.381 5.117 5.500 . 0 0 "[ . 1 . 2]" 1
1243 1 33 LEU MD2 1 65 ALA H . . 5.500 4.908 4.652 5.181 . 0 0 "[ . 1 . 2]" 1
1244 1 31 SER HA 1 33 LEU MD1 . . 4.810 4.019 3.595 4.293 . 0 0 "[ . 1 . 2]" 1
1245 1 31 SER HA 1 33 LEU HG . . 5.150 3.602 3.404 3.769 . 0 0 "[ . 1 . 2]" 1
1246 1 31 SER HA 1 95 LYS HB3 . . 5.500 5.329 5.122 5.509 0.009 5 0 "[ . 1 . 2]" 1
1247 1 31 SER HA 1 64 GLN HB3 . . 5.350 4.307 3.619 4.677 . 0 0 "[ . 1 . 2]" 1
1248 1 31 SER HA 1 32 ASN HA . . 4.680 4.516 4.475 4.566 . 0 0 "[ . 1 . 2]" 1
1249 1 30 LEU HA 1 65 ALA MB . . 5.470 5.103 4.879 5.376 . 0 0 "[ . 1 . 2]" 1
1250 1 30 LEU HB2 1 31 SER H . . 5.050 4.376 4.138 4.451 . 0 0 "[ . 1 . 2]" 1
1251 1 30 LEU H 1 30 LEU MD1 . . 4.650 3.721 3.470 3.953 . 0 0 "[ . 1 . 2]" 1
1252 1 30 LEU HA 1 30 LEU MD1 . . 4.470 3.909 3.876 3.953 . 0 0 "[ . 1 . 2]" 1
1253 1 28 ILE MG 1 29 HIS HA . . 4.780 3.992 3.858 4.086 . 0 0 "[ . 1 . 2]" 1
1254 1 29 HIS HA 1 30 LEU HB2 . . 5.050 4.537 4.444 4.689 . 0 0 "[ . 1 . 2]" 1
1255 1 29 HIS HA 1 29 HIS HD2 . . 3.990 2.510 2.223 2.987 . 0 0 "[ . 1 . 2]" 1
1256 1 29 HIS HA 1 66 PHE QD . . 4.460 2.747 2.076 3.340 . 0 0 "[ . 1 . 2]" 1
1257 1 27 VAL MG1 1 29 HIS HB2 . . 4.950 3.620 3.367 4.137 . 0 0 "[ . 1 . 2]" 1
1258 1 28 ILE HA 1 29 HIS HB3 . . 4.990 4.794 4.497 4.977 . 0 0 "[ . 1 . 2]" 1
1259 1 27 VAL HA 1 28 ILE HB . . 5.110 4.567 4.506 4.636 . 0 0 "[ . 1 . 2]" 1
1260 1 28 ILE HB 1 68 GLU HA . . 5.500 4.668 4.508 4.935 . 0 0 "[ . 1 . 2]" 1
1261 1 28 ILE HB 1 75 ALA MB . . 5.470 4.593 4.195 4.993 . 0 0 "[ . 1 . 2]" 1
1262 1 28 ILE HG13 1 69 MET HG3 . . 4.830 3.053 2.393 3.518 . 0 0 "[ . 1 . 2]" 1
1263 1 28 ILE HG13 1 69 MET HG2 . . 4.830 2.630 2.376 2.876 . 0 0 "[ . 1 . 2]" 1
1264 1 28 ILE HG13 1 75 ALA HA . . 4.550 3.015 2.692 3.168 . 0 0 "[ . 1 . 2]" 1
1265 1 27 VAL HA 1 28 ILE HG13 . . 5.500 5.432 5.288 5.504 0.004 15 0 "[ . 1 . 2]" 1
1266 1 28 ILE HG13 1 68 GLU HA . . 5.500 5.085 4.847 5.358 . 0 0 "[ . 1 . 2]" 1
1267 1 27 VAL HA 1 28 ILE HG12 . . 4.750 3.961 3.790 4.143 . 0 0 "[ . 1 . 2]" 1
1268 1 28 ILE MG 1 98 LEU HA . . 4.550 4.245 4.013 4.455 . 0 0 "[ . 1 . 2]" 1
1269 1 28 ILE MD 1 79 VAL HA . . 4.710 4.159 3.873 4.342 . 0 0 "[ . 1 . 2]" 1
1270 1 28 ILE MD 1 78 MET HA . . 4.800 4.623 4.472 4.787 . 0 0 "[ . 1 . 2]" 1
1271 1 28 ILE MD 1 98 LEU HA . . 4.060 3.296 3.123 3.411 . 0 0 "[ . 1 . 2]" 1
1272 1 27 VAL MG1 1 102 TYR QD . . 4.400 3.134 2.035 4.064 . 0 0 "[ . 1 . 2]" 1
1273 1 27 VAL H 1 27 VAL MG1 . . 4.320 3.835 3.765 3.903 . 0 0 "[ . 1 . 2]" 1
1274 1 27 VAL MG1 1 66 PHE H . . 5.500 5.112 4.903 5.464 . 0 0 "[ . 1 . 2]" 1
1275 1 27 VAL MG1 1 29 HIS HA . . 4.830 3.636 3.513 3.841 . 0 0 "[ . 1 . 2]" 1
1276 1 27 VAL MG2 1 68 GLU H . . 4.920 4.762 4.596 4.895 . 0 0 "[ . 1 . 2]" 1
1277 1 27 VAL MG2 1 105 LEU HA . . 4.610 4.455 4.199 4.602 . 0 0 "[ . 1 . 2]" 1
1278 1 26 ARG HB3 1 69 MET H . . 5.290 3.956 2.778 5.289 . 0 0 "[ . 1 . 2]" 1
1279 1 68 GLU HB2 1 69 MET H . . 5.500 4.395 4.350 4.465 . 0 0 "[ . 1 . 2]" 1
1280 1 26 ARG HB3 1 72 ARG HA . . 4.590 3.151 2.006 4.170 . 0 0 "[ . 1 . 2]" 1
1281 1 25 GLY HA2 1 103 LYS HD2 . . 5.500 4.695 3.583 5.429 . 0 0 "[ . 1 . 2]" 1
1282 1 25 GLY HA2 1 103 LYS HD3 . . 5.500 4.438 3.129 5.411 . 0 0 "[ . 1 . 2]" 1
1283 1 25 GLY HA2 1 103 LYS HG2 . . 5.500 3.524 1.990 5.497 . 0 0 "[ . 1 . 2]" 1
1284 1 25 GLY HA2 1 103 LYS HG3 . . 5.500 3.853 2.312 5.390 . 0 0 "[ . 1 . 2]" 1
1285 1 24 LEU HB3 1 72 ARG HD2 . . 4.660 3.330 2.309 4.651 . 0 0 "[ . 1 . 2]" 1
1286 1 24 LEU HB3 1 72 ARG HD3 . . 4.660 3.425 2.086 4.353 . 0 0 "[ . 1 . 2]" 1
1287 1 24 LEU H 1 24 LEU MD2 . . 4.440 3.634 1.824 4.441 0.001 11 0 "[ . 1 . 2]" 1
1288 1 23 GLU HB3 1 24 LEU H . . 4.650 3.810 2.587 4.649 . 0 0 "[ . 1 . 2]" 1
1289 1 18 PHE HA 1 18 PHE QD . . 4.190 2.897 2.189 3.722 . 0 0 "[ . 1 . 2]" 1
1290 1 53 ILE HG13 1 54 LYS H . . 5.250 4.700 4.570 4.808 . 0 0 "[ . 1 . 2]" 1
1291 1 53 ILE MD 1 67 ILE MD . . 4.370 4.122 3.772 4.368 . 0 0 "[ . 1 . 2]" 1
1292 1 53 ILE MG 1 54 LYS HA . . 4.510 4.157 4.036 4.262 . 0 0 "[ . 1 . 2]" 1
1293 1 54 LYS HA 1 70 GLU HG3 . . 5.500 5.499 5.461 5.516 0.016 17 0 "[ . 1 . 2]" 1
1294 1 54 LYS HA 1 54 LYS HE2 . . 5.350 3.361 2.098 4.902 . 0 0 "[ . 1 . 2]" 1
1295 1 54 LYS HA 1 54 LYS HE3 . . 5.350 3.505 2.174 4.516 . 0 0 "[ . 1 . 2]" 1
1296 1 54 LYS HB3 1 54 LYS HE2 . . 5.500 4.663 4.012 5.474 . 0 0 "[ . 1 . 2]" 1
1297 1 54 LYS HB3 1 54 LYS HE3 . . 5.500 4.868 4.358 5.474 . 0 0 "[ . 1 . 2]" 1
1298 1 54 LYS HB3 1 70 GLU HA . . 4.450 4.405 4.193 4.449 . 0 0 "[ . 1 . 2]" 1
1299 1 53 ILE MG 1 54 LYS HB3 . . 5.330 5.112 5.040 5.237 . 0 0 "[ . 1 . 2]" 1
1300 1 54 LYS HB3 1 68 GLU HB3 . . 4.540 4.158 3.868 4.367 . 0 0 "[ . 1 . 2]" 1
1301 1 54 LYS HB2 1 54 LYS HE2 . . 5.490 4.287 3.544 4.690 . 0 0 "[ . 1 . 2]" 1
1302 1 54 LYS HB2 1 54 LYS HE3 . . 5.490 4.313 3.794 4.753 . 0 0 "[ . 1 . 2]" 1
1303 1 54 LYS HB2 1 68 GLU HB3 . . 4.670 4.387 4.115 4.593 . 0 0 "[ . 1 . 2]" 1
1304 1 53 ILE MG 1 54 LYS HB2 . . 4.930 4.776 4.715 4.904 . 0 0 "[ . 1 . 2]" 1
1305 1 54 LYS HG3 1 55 ASN H . . 5.110 5.060 4.974 5.113 0.003 19 0 "[ . 1 . 2]" 1
1306 1 54 LYS HG3 1 70 GLU HB2 . . 5.500 5.435 5.136 5.507 0.007 17 0 "[ . 1 . 2]" 1
1307 1 54 LYS HG2 1 70 GLU HB2 . . 5.410 5.156 4.908 5.417 0.007 10 0 "[ . 1 . 2]" 1
1308 1 54 LYS HG2 1 70 GLU HG2 . . 5.500 4.947 4.560 5.306 . 0 0 "[ . 1 . 2]" 1
1309 1 54 LYS HG3 1 55 ASN HB2 . . 5.300 5.211 5.037 5.298 . 0 0 "[ . 1 . 2]" 1
1310 1 54 LYS HG2 1 55 ASN HB2 . . 5.500 5.355 5.126 5.497 . 0 0 "[ . 1 . 2]" 1
1311 1 54 LYS HE2 1 54 LYS HG3 . . 4.160 2.594 1.985 3.672 . 0 0 "[ . 1 . 2]" 1
1312 1 54 LYS HE3 1 54 LYS HG3 . . 4.160 2.961 2.094 3.554 . 0 0 "[ . 1 . 2]" 1
1313 1 55 ASN HB3 1 68 GLU HB3 . . 4.560 2.631 2.363 2.875 . 0 0 "[ . 1 . 2]" 1
1314 1 55 ASN HB3 1 68 GLU HB2 . . 4.450 3.615 3.249 3.993 . 0 0 "[ . 1 . 2]" 1
1315 1 55 ASN HB3 1 105 LEU HG . . 4.870 3.515 3.055 4.088 . 0 0 "[ . 1 . 2]" 1
1316 1 54 LYS HB2 1 55 ASN HB2 . . 4.950 4.426 4.322 4.620 . 0 0 "[ . 1 . 2]" 1
1317 1 55 ASN HB2 1 105 LEU HG . . 5.500 4.872 4.338 5.385 . 0 0 "[ . 1 . 2]" 1
1318 1 54 LYS HB3 1 55 ASN HB2 . . 4.460 3.139 3.083 3.174 . 0 0 "[ . 1 . 2]" 1
1319 1 55 ASN HB2 1 105 LEU HB2 . . 5.160 3.746 3.150 4.175 . 0 0 "[ . 1 . 2]" 1
1320 1 55 ASN HB2 1 68 GLU HB2 . . 4.570 4.398 3.857 4.563 . 0 0 "[ . 1 . 2]" 1
1321 1 56 TYR HA 1 57 ILE HB . . 5.060 4.307 4.253 4.350 . 0 0 "[ . 1 . 2]" 1
1322 1 56 TYR HA 1 68 GLU HB2 . . 5.500 5.118 4.761 5.417 . 0 0 "[ . 1 . 2]" 1
1323 1 56 TYR HB2 1 105 LEU MD1 . . 5.500 4.257 3.923 4.515 . 0 0 "[ . 1 . 2]" 1
1324 1 56 TYR HB3 1 105 LEU MD1 . . 5.500 4.385 4.061 4.646 . 0 0 "[ . 1 . 2]" 1
1325 1 56 TYR QD 1 67 ILE HA . . 5.080 4.904 4.723 5.055 . 0 0 "[ . 1 . 2]" 1
1326 1 56 TYR QD 1 58 LEU HA . . 4.430 4.291 4.143 4.370 . 0 0 "[ . 1 . 2]" 1
1327 1 55 ASN HA 1 56 TYR QD . . 4.380 3.532 3.412 3.711 . 0 0 "[ . 1 . 2]" 1
1328 1 40 ASP HB3 1 56 TYR QE . . 4.630 2.521 2.261 2.957 . 0 0 "[ . 1 . 2]" 1
1329 1 53 ILE MG 1 56 TYR QE . . 4.740 4.590 4.232 4.729 . 0 0 "[ . 1 . 2]" 1
1330 1 44 LEU MD2 1 56 TYR QE . . 4.380 3.807 3.635 4.042 . 0 0 "[ . 1 . 2]" 1
1331 1 57 ILE HA 1 105 LEU MD1 . . 4.980 3.909 3.655 4.189 . 0 0 "[ . 1 . 2]" 1
1332 1 56 TYR QD 1 57 ILE HA . . 4.500 3.630 3.325 3.869 . 0 0 "[ . 1 . 2]" 1
1333 1 58 LEU HB2 1 59 MET H . . 4.650 4.641 4.632 4.647 . 0 0 "[ . 1 . 2]" 1
1334 1 57 ILE HG13 1 66 PHE HB2 . . 4.910 3.360 3.192 3.577 . 0 0 "[ . 1 . 2]" 1
1335 1 57 ILE HG13 1 66 PHE QD . . 4.980 4.004 3.395 4.388 . 0 0 "[ . 1 . 2]" 1
1336 1 57 ILE HG12 1 58 LEU H . . 4.800 4.686 4.605 4.767 . 0 0 "[ . 1 . 2]" 1
1337 1 57 ILE H 1 57 ILE HG12 . . 4.550 3.410 3.308 3.518 . 0 0 "[ . 1 . 2]" 1
1338 1 57 ILE MG 1 65 ALA HA . . 4.500 2.952 2.828 3.151 . 0 0 "[ . 1 . 2]" 1
1339 1 57 ILE MG 1 58 LEU HA . . 4.410 3.618 3.489 3.704 . 0 0 "[ . 1 . 2]" 1
1340 1 56 TYR HA 1 57 ILE MG . . 5.500 5.398 5.386 5.413 . 0 0 "[ . 1 . 2]" 1
1341 1 57 ILE MG 1 59 MET H . . 4.580 3.185 3.122 3.241 . 0 0 "[ . 1 . 2]" 1
1342 1 57 ILE MD 1 105 LEU HA . . 4.920 4.670 4.192 4.884 . 0 0 "[ . 1 . 2]" 1
1343 1 57 ILE MD 1 58 LEU HA . . 5.500 5.444 5.356 5.504 0.004 1 0 "[ . 1 . 2]" 1
1344 1 57 ILE MD 1 59 MET H . . 5.500 5.502 5.486 5.511 0.011 11 0 "[ . 1 . 2]" 1
1345 1 40 ASP HA 1 58 LEU HB3 . . 5.040 4.849 4.704 4.965 . 0 0 "[ . 1 . 2]" 1
1346 1 58 LEU HB3 1 59 MET H . . 4.470 4.066 4.014 4.120 . 0 0 "[ . 1 . 2]" 1
1347 1 58 LEU HG 1 59 MET H . . 5.500 5.476 5.431 5.505 0.005 3 0 "[ . 1 . 2]" 1
1348 1 40 ASP HB3 1 58 LEU MD1 . . 4.920 4.484 3.902 4.816 . 0 0 "[ . 1 . 2]" 1
1349 1 38 TYR QD 1 58 LEU MD1 . . 4.440 4.267 4.142 4.428 . 0 0 "[ . 1 . 2]" 1
1350 1 58 LEU MD2 1 59 MET H . . 4.290 4.040 3.930 4.156 . 0 0 "[ . 1 . 2]" 1
1351 1 57 ILE H 1 58 LEU MD2 . . 4.650 3.876 3.706 4.070 . 0 0 "[ . 1 . 2]" 1
1352 1 58 LEU MD2 1 66 PHE H . . 5.140 4.256 3.975 4.564 . 0 0 "[ . 1 . 2]" 1
1353 1 43 VAL HA 1 58 LEU MD2 . . 4.810 4.560 4.334 4.708 . 0 0 "[ . 1 . 2]" 1
1354 1 40 ASP HB3 1 58 LEU MD2 . . 4.780 3.141 2.639 3.487 . 0 0 "[ . 1 . 2]" 1
1355 1 40 ASP HB2 1 58 LEU MD2 . . 4.780 2.608 2.312 2.811 . 0 0 "[ . 1 . 2]" 1
1356 1 58 LEU MD2 1 65 ALA HA . . 4.400 4.004 3.675 4.253 . 0 0 "[ . 1 . 2]" 1
1357 1 59 MET HG2 1 66 PHE QE . . 5.500 5.192 4.771 5.501 0.001 16 0 "[ . 1 . 2]" 1
1358 1 59 MET H 1 59 MET HG2 . . 4.670 3.703 2.698 4.203 . 0 0 "[ . 1 . 2]" 1
1359 1 59 MET HG3 1 66 PHE QE . . 5.500 4.098 3.489 4.724 . 0 0 "[ . 1 . 2]" 1
1360 1 59 MET ME 1 66 PHE H . . 4.480 4.322 4.138 4.481 0.001 15 0 "[ . 1 . 2]" 1
1361 1 59 MET H 1 59 MET ME . . 4.620 4.437 4.335 4.586 . 0 0 "[ . 1 . 2]" 1
1362 1 59 MET ME 1 102 TYR QE . . 4.530 3.902 2.832 4.523 . 0 0 "[ . 1 . 2]" 1
1363 1 61 MET HA 1 63 SER H . . 4.670 4.333 4.110 4.532 . 0 0 "[ . 1 . 2]" 1
1364 1 33 LEU MD1 1 63 SER HA . . 4.440 3.895 3.503 4.165 . 0 0 "[ . 1 . 2]" 1
1365 1 33 LEU HB3 1 63 SER HA . . 4.920 4.822 4.657 4.925 0.005 4 0 "[ . 1 . 2]" 1
1366 1 63 SER HB2 1 64 GLN H . . 4.930 4.390 4.231 4.525 . 0 0 "[ . 1 . 2]" 1
1367 1 32 ASN H 1 63 SER HB2 . . 4.940 4.390 3.766 4.933 . 0 0 "[ . 1 . 2]" 1
1368 1 33 LEU HB2 1 63 SER HB3 . . 4.780 2.674 2.154 4.261 . 0 0 "[ . 1 . 2]" 1
1369 1 31 SER HA 1 64 GLN HB2 . . 5.350 5.227 4.946 5.352 0.002 18 0 "[ . 1 . 2]" 1
1370 1 31 SER HA 1 64 GLN HG2 . . 4.740 2.688 2.218 3.022 . 0 0 "[ . 1 . 2]" 1
1371 1 65 ALA HA 1 66 PHE QD . . 4.940 3.379 2.814 4.304 . 0 0 "[ . 1 . 2]" 1
1372 1 57 ILE HB 1 65 ALA HA . . 4.840 3.960 3.836 4.034 . 0 0 "[ . 1 . 2]" 1
1373 1 65 ALA HA 1 66 PHE HB2 . . 5.200 4.530 4.360 4.630 . 0 0 "[ . 1 . 2]" 1
1374 1 64 GLN HA 1 65 ALA MB . . 4.410 3.831 3.718 3.895 . 0 0 "[ . 1 . 2]" 1
1375 1 65 ALA MB 1 66 PHE HA . . 4.850 4.029 3.925 4.100 . 0 0 "[ . 1 . 2]" 1
1376 1 56 TYR QD 1 65 ALA MB . . 4.670 4.205 3.960 4.403 . 0 0 "[ . 1 . 2]" 1
1377 1 66 PHE HA 1 105 LEU MD1 . . 4.810 4.309 4.087 4.674 . 0 0 "[ . 1 . 2]" 1
1378 1 66 PHE HA 1 105 LEU MD2 . . 4.980 4.365 4.152 4.727 . 0 0 "[ . 1 . 2]" 1
1379 1 57 ILE HB 1 66 PHE HA . . 4.980 4.474 4.354 4.651 . 0 0 "[ . 1 . 2]" 1
1380 1 66 PHE HA 1 67 ILE HB . . 5.400 4.616 4.458 4.733 . 0 0 "[ . 1 . 2]" 1
1381 1 66 PHE QD 1 102 TYR QE . . 4.760 4.137 2.682 4.722 . 0 0 "[ . 1 . 2]" 1
1382 1 56 TYR HB2 1 67 ILE HA . . 4.390 3.141 2.906 3.337 . 0 0 "[ . 1 . 2]" 1
1383 1 56 TYR H 1 67 ILE HA . . 5.220 4.888 4.731 5.003 . 0 0 "[ . 1 . 2]" 1
1384 1 67 ILE MG 1 68 GLU HA . . 4.660 4.045 3.887 4.180 . 0 0 "[ . 1 . 2]" 1
1385 1 56 TYR HB2 1 67 ILE MD . . 4.640 3.862 3.745 3.913 . 0 0 "[ . 1 . 2]" 1
1386 1 27 VAL MG2 1 68 GLU HB3 . . 4.400 4.331 4.089 4.402 0.002 19 0 "[ . 1 . 2]" 1
1387 1 69 MET HA 1 70 GLU HA . . 4.680 4.307 4.299 4.319 . 0 0 "[ . 1 . 2]" 1
1388 1 69 MET HA 1 71 THR H . . 4.910 4.391 4.175 4.766 . 0 0 "[ . 1 . 2]" 1
1389 1 54 LYS H 1 70 GLU HA . . 4.660 3.734 3.575 3.849 . 0 0 "[ . 1 . 2]" 1
1390 1 52 LYS H 1 70 GLU HG3 . . 5.100 4.514 4.354 4.817 . 0 0 "[ . 1 . 2]" 1
1391 1 70 GLU HG3 1 71 THR H . . 5.500 5.026 4.753 5.155 . 0 0 "[ . 1 . 2]" 1
1392 1 71 THR HB 1 74 ASP H . . 4.720 4.373 3.951 4.661 . 0 0 "[ . 1 . 2]" 1
1393 1 72 ARG H 1 72 ARG HG2 . . 5.230 4.601 4.532 4.670 . 0 0 "[ . 1 . 2]" 1
1394 1 72 ARG HG2 1 73 GLU H . . 4.980 4.366 3.959 4.804 . 0 0 "[ . 1 . 2]" 1
1395 1 72 ARG H 1 72 ARG HG3 . . 5.230 4.319 3.701 4.438 . 0 0 "[ . 1 . 2]" 1
1396 1 72 ARG HG3 1 73 GLU H . . 4.980 4.613 4.136 4.976 . 0 0 "[ . 1 . 2]" 1
1397 1 72 ARG HG3 1 76 MET HG3 . . 4.360 2.993 2.047 4.236 . 0 0 "[ . 1 . 2]" 1
1398 1 75 ALA HA 1 78 MET H . . 4.660 3.526 3.294 3.757 . 0 0 "[ . 1 . 2]" 1
1399 1 74 ASP H 1 75 ALA MB . . 4.800 4.374 4.167 4.639 . 0 0 "[ . 1 . 2]" 1
1400 1 75 ALA MB 1 76 MET HG2 . . 4.750 3.186 2.940 3.326 . 0 0 "[ . 1 . 2]" 1
1401 1 77 ALA MB 1 79 VAL H . . 5.090 4.993 4.892 5.081 . 0 0 "[ . 1 . 2]" 1
1402 1 78 MET HA 1 81 HIS HB2 . . 4.500 3.235 2.635 3.891 . 0 0 "[ . 1 . 2]" 1
1403 1 78 MET HA 1 79 VAL MG1 . . 5.500 4.917 4.830 5.026 . 0 0 "[ . 1 . 2]" 1
1404 1 78 MET HA 1 96 VAL MG1 . . 5.500 4.662 4.180 5.020 . 0 0 "[ . 1 . 2]" 1
1405 1 78 MET HA 1 80 ASP H . . 5.000 4.207 3.973 4.417 . 0 0 "[ . 1 . 2]" 1
1406 1 50 TYR QE 1 78 MET HG2 . . 4.810 4.327 3.087 4.671 . 0 0 "[ . 1 . 2]" 1
1407 1 50 TYR QD 1 78 MET HG2 . . 5.070 4.636 3.139 5.065 . 0 0 "[ . 1 . 2]" 1
1408 1 78 MET H 1 78 MET HG2 . . 4.760 4.480 3.870 4.587 . 0 0 "[ . 1 . 2]" 1
1409 1 78 MET HG2 1 79 VAL H . . 4.860 3.932 3.485 4.862 0.002 9 0 "[ . 1 . 2]" 1
1410 1 50 TYR QE 1 78 MET HG3 . . 4.810 3.415 3.067 4.804 . 0 0 "[ . 1 . 2]" 1
1411 1 50 TYR QD 1 78 MET HG3 . . 5.070 3.539 3.166 4.423 . 0 0 "[ . 1 . 2]" 1
1412 1 78 MET H 1 78 MET HG3 . . 4.760 4.292 4.060 4.488 . 0 0 "[ . 1 . 2]" 1
1413 1 78 MET HG3 1 79 VAL H . . 4.860 4.657 4.462 4.830 . 0 0 "[ . 1 . 2]" 1
1414 1 76 MET HB3 1 80 ASP HB2 . . 4.650 4.383 4.091 4.614 . 0 0 "[ . 1 . 2]" 1
1415 1 81 HIS HA 1 84 LYS HE2 . . 5.290 3.924 2.956 5.051 . 0 0 "[ . 1 . 2]" 1
1416 1 81 HIS HA 1 84 LYS HE3 . . 5.290 4.465 3.686 5.150 . 0 0 "[ . 1 . 2]" 1
1417 1 80 ASP HB3 1 81 HIS HA . . 4.720 3.816 3.748 3.941 . 0 0 "[ . 1 . 2]" 1
1418 1 81 HIS HA 1 83 LEU H . . 4.810 4.116 3.811 4.293 . 0 0 "[ . 1 . 2]" 1
1419 1 82 CYS HB2 1 96 VAL MG2 . . 4.830 4.007 3.510 4.439 . 0 0 "[ . 1 . 2]" 1
1420 1 83 LEU HA 1 85 LYS H . . 5.170 4.784 4.665 4.874 . 0 0 "[ . 1 . 2]" 1
1421 1 52 LYS HD2 1 53 ILE H . . 5.500 5.086 3.873 5.504 0.004 9 0 "[ . 1 . 2]" 1
1422 1 52 LYS HD3 1 53 ILE H . . 5.500 4.568 3.748 5.502 0.002 5 0 "[ . 1 . 2]" 1
1423 1 52 LYS H 1 52 LYS HD2 . . 5.500 4.789 3.036 5.347 . 0 0 "[ . 1 . 2]" 1
1424 1 52 LYS H 1 52 LYS HD3 . . 5.500 5.002 2.012 5.506 0.006 11 0 "[ . 1 . 2]" 1
1425 1 84 LYS H 1 85 LYS HA . . 5.380 5.144 5.016 5.215 . 0 0 "[ . 1 . 2]" 1
1426 1 87 LEU HA 1 88 TRP HB2 . . 4.770 4.462 4.360 4.574 . 0 0 "[ . 1 . 2]" 1
1427 1 87 LEU HB3 1 88 TRP H . . 4.730 4.089 3.879 4.233 . 0 0 "[ . 1 . 2]" 1
1428 1 78 MET HA 1 87 LEU MD1 . . 5.100 4.022 3.813 4.371 . 0 0 "[ . 1 . 2]" 1
1429 1 46 LEU HA 1 87 LEU MD1 . . 4.840 4.540 4.232 4.770 . 0 0 "[ . 1 . 2]" 1
1430 1 87 LEU HA 1 87 LEU MD1 . . 4.220 3.526 3.400 3.592 . 0 0 "[ . 1 . 2]" 1
1431 1 87 LEU MD1 1 88 TRP H . . 4.930 4.816 4.620 4.930 . 0 0 "[ . 1 . 2]" 1
1432 1 87 LEU MD2 1 88 TRP HB2 . . 5.500 4.896 4.622 5.133 . 0 0 "[ . 1 . 2]" 1
1433 1 87 LEU MD2 1 89 PHE HB2 . . 4.770 3.142 2.889 3.390 . 0 0 "[ . 1 . 2]" 1
1434 1 87 LEU MD2 1 88 TRP HB3 . . 5.500 5.306 5.121 5.474 . 0 0 "[ . 1 . 2]" 1
1435 1 88 TRP HA 1 88 TRP HZ3 . . 5.500 5.132 4.889 5.375 . 0 0 "[ . 1 . 2]" 1
1436 1 87 LEU HA 1 88 TRP HD1 . . 4.850 4.199 3.699 4.536 . 0 0 "[ . 1 . 2]" 1
1437 1 88 TRP HA 1 88 TRP HD1 . . 4.900 4.121 3.903 4.212 . 0 0 "[ . 1 . 2]" 1
1438 1 88 TRP HE3 1 93 CYS HA . . 4.690 3.559 3.338 3.830 . 0 0 "[ . 1 . 2]" 1
1439 1 88 TRP HE3 1 92 ARG HA . . 4.790 2.947 2.695 3.266 . 0 0 "[ . 1 . 2]" 1
1440 1 86 ALA MB 1 88 TRP HZ2 . . 4.380 3.947 3.157 4.354 . 0 0 "[ . 1 . 2]" 1
1441 1 88 TRP HZ3 1 93 CYS HB2 . . 5.020 3.963 2.890 5.014 . 0 0 "[ . 1 . 2]" 1
1442 1 46 LEU MD2 1 89 PHE HA . . 4.980 3.740 2.907 4.434 . 0 0 "[ . 1 . 2]" 1
1443 1 89 PHE HA 1 94 VAL MG1 . . 5.460 3.979 3.753 4.106 . 0 0 "[ . 1 . 2]" 1
1444 1 46 LEU MD1 1 89 PHE HA . . 5.140 4.769 3.962 5.145 0.005 11 0 "[ . 1 . 2]" 1
1445 1 43 VAL MG2 1 89 PHE QE . . 4.510 2.514 2.033 2.893 . 0 0 "[ . 1 . 2]" 1
1446 1 89 PHE HA 1 90 GLN HA . . 4.590 4.432 4.360 4.597 0.007 6 0 "[ . 1 . 2]" 1
1447 1 89 PHE QE 1 90 GLN HG2 . . 4.850 3.507 2.732 4.167 . 0 0 "[ . 1 . 2]" 1
1448 1 89 PHE QE 1 90 GLN HG3 . . 4.850 3.223 2.205 4.841 . 0 0 "[ . 1 . 2]" 1
1449 1 90 GLN H 1 90 GLN HG3 . . 4.480 4.138 3.673 4.459 . 0 0 "[ . 1 . 2]" 1
1450 1 92 ARG HA 1 93 CYS HA . . 4.540 4.346 4.337 4.358 . 0 0 "[ . 1 . 2]" 1
1451 1 92 ARG HB2 1 93 CYS H . . 4.350 4.025 3.805 4.310 . 0 0 "[ . 1 . 2]" 1
1452 1 92 ARG H 1 92 ARG HD2 . . 5.500 5.378 5.167 5.500 0.000 5 0 "[ . 1 . 2]" 1
1453 1 88 TRP HH2 1 93 CYS HB2 . . 4.980 3.503 2.484 4.670 . 0 0 "[ . 1 . 2]" 1
1454 1 93 CYS HB2 1 94 VAL H . . 4.770 4.543 4.274 4.654 . 0 0 "[ . 1 . 2]" 1
1455 1 93 CYS HB3 1 94 VAL H . . 4.770 4.430 4.233 4.654 . 0 0 "[ . 1 . 2]" 1
1456 1 88 TRP HZ3 1 93 CYS HB3 . . 5.020 4.191 3.181 5.018 . 0 0 "[ . 1 . 2]" 1
1457 1 88 TRP HH2 1 93 CYS HB3 . . 4.980 3.874 2.618 4.699 . 0 0 "[ . 1 . 2]" 1
1458 1 89 PHE HB2 1 94 VAL MG2 . . 4.920 4.269 3.964 4.510 . 0 0 "[ . 1 . 2]" 1
1459 1 89 PHE HB3 1 94 VAL MG2 . . 4.590 4.014 3.651 4.534 . 0 0 "[ . 1 . 2]" 1
1460 1 94 VAL MG2 1 96 VAL HB . . 4.390 3.690 3.338 3.903 . 0 0 "[ . 1 . 2]" 1
1461 1 94 VAL MG2 1 96 VAL HA . . 4.620 3.956 3.737 4.118 . 0 0 "[ . 1 . 2]" 1
1462 1 89 PHE QD 1 94 VAL MG2 . . 5.090 3.865 3.080 4.490 . 0 0 "[ . 1 . 2]" 1
1463 1 95 LYS HB2 1 96 VAL H . . 4.640 4.521 4.442 4.604 . 0 0 "[ . 1 . 2]" 1
1464 1 96 VAL HA 1 97 ASP HA . . 4.800 4.385 4.375 4.392 . 0 0 "[ . 1 . 2]" 1
1465 1 79 VAL HA 1 96 VAL HB . . 4.830 4.763 4.565 4.832 0.002 19 0 "[ . 1 . 2]" 1
1466 1 30 LEU HA 1 96 VAL MG1 . . 5.220 5.069 4.872 5.218 . 0 0 "[ . 1 . 2]" 1
1467 1 87 LEU H 1 96 VAL MG1 . . 4.740 4.361 4.107 4.671 . 0 0 "[ . 1 . 2]" 1
1468 1 97 ASP HA 1 98 LEU HB3 . . 5.500 5.417 5.323 5.493 . 0 0 "[ . 1 . 2]" 1
1469 1 29 HIS HB3 1 97 ASP HB3 . . 4.730 4.455 4.040 4.717 . 0 0 "[ . 1 . 2]" 1
1470 1 29 HIS H 1 98 LEU HA . . 4.390 2.911 2.700 3.104 . 0 0 "[ . 1 . 2]" 1
1471 1 97 ASP HA 1 98 LEU HB2 . . 4.800 4.172 4.146 4.202 . 0 0 "[ . 1 . 2]" 1
1472 1 26 ARG HA 1 98 LEU MD1 . . 4.620 4.421 4.124 4.602 . 0 0 "[ . 1 . 2]" 1
1473 1 28 ILE HA 1 98 LEU MD1 . . 4.890 3.961 3.723 4.294 . 0 0 "[ . 1 . 2]" 1
1474 1 29 HIS H 1 98 LEU MD1 . . 5.500 5.157 4.943 5.465 . 0 0 "[ . 1 . 2]" 1
1475 1 76 MET H 1 98 LEU MD1 . . 4.350 3.057 2.748 3.352 . 0 0 "[ . 1 . 2]" 1
1476 1 72 ARG HA 1 98 LEU MD2 . . 4.560 4.274 3.980 4.500 . 0 0 "[ . 1 . 2]" 1
1477 1 29 HIS HB3 1 99 SER HA . . 5.140 4.637 3.963 5.138 . 0 0 "[ . 1 . 2]" 1
1478 1 29 HIS HB2 1 99 SER HB2 . . 4.620 2.546 2.001 3.923 . 0 0 "[ . 1 . 2]" 1
1479 1 66 PHE QD 1 99 SER HB2 . . 5.150 3.662 3.083 4.818 . 0 0 "[ . 1 . 2]" 1
1480 1 66 PHE QE 1 99 SER HB2 . . 5.500 3.491 2.846 4.190 . 0 0 "[ . 1 . 2]" 1
1481 1 29 HIS HB2 1 99 SER HB3 . . 4.620 3.641 2.038 4.515 . 0 0 "[ . 1 . 2]" 1
1482 1 66 PHE QD 1 99 SER HB3 . . 5.150 4.040 2.816 4.695 . 0 0 "[ . 1 . 2]" 1
1483 1 66 PHE QE 1 99 SER HB3 . . 5.500 4.112 2.517 4.847 . 0 0 "[ . 1 . 2]" 1
1484 1 101 LYS HA 1 101 LYS HD2 . . 4.910 3.987 3.058 4.900 . 0 0 "[ . 1 . 2]" 1
1485 1 101 LYS HA 1 101 LYS HD3 . . 4.910 4.263 2.997 4.784 . 0 0 "[ . 1 . 2]" 1
1486 1 27 VAL MG2 1 102 TYR QD . . 5.220 3.829 2.652 4.378 . 0 0 "[ . 1 . 2]" 1
1487 1 101 LYS HB2 1 102 TYR QD . . 5.120 4.441 3.201 5.111 . 0 0 "[ . 1 . 2]" 1
1488 1 101 LYS HB3 1 102 TYR QD . . 5.120 3.589 2.352 4.976 . 0 0 "[ . 1 . 2]" 1
1489 1 101 LYS HG2 1 102 TYR QE . . 4.720 3.289 2.119 4.719 . 0 0 "[ . 1 . 2]" 1
1490 1 101 LYS HG3 1 102 TYR QE . . 4.720 3.722 2.728 4.678 . 0 0 "[ . 1 . 2]" 1
1491 1 27 VAL MG2 1 103 LYS HA . . 4.700 3.138 2.461 4.120 . 0 0 "[ . 1 . 2]" 1
1492 1 104 LYS HA 1 105 LEU HG . . 4.570 3.647 3.475 3.987 . 0 0 "[ . 1 . 2]" 1
1493 1 68 GLU HG2 1 104 LYS HA . . 5.150 4.831 3.790 5.155 0.005 14 0 "[ . 1 . 2]" 1
1494 1 104 LYS HA 1 104 LYS HD2 . . 5.500 4.482 3.776 5.301 . 0 0 "[ . 1 . 2]" 1
1495 1 104 LYS HA 1 104 LYS HD3 . . 5.500 4.622 3.861 5.510 0.010 7 0 "[ . 1 . 2]" 1
1496 1 68 GLU HB3 1 105 LEU HG . . 4.830 3.599 3.088 4.483 . 0 0 "[ . 1 . 2]" 1
1497 1 57 ILE H 1 105 LEU MD2 . . 5.080 4.534 4.363 4.732 . 0 0 "[ . 1 . 2]" 1
1498 1 66 PHE H 1 105 LEU MD2 . . 5.400 4.400 4.135 4.614 . 0 0 "[ . 1 . 2]" 1
1499 1 56 TYR HA 1 105 LEU MD2 . . 4.930 4.642 4.400 4.919 . 0 0 "[ . 1 . 2]" 1
1500 1 104 LYS HA 1 105 LEU MD2 . . 4.880 4.231 3.911 4.805 . 0 0 "[ . 1 . 2]" 1
1501 1 29 HIS HD2 1 66 PHE QD . . 5.270 3.970 3.309 4.649 . 0 0 "[ . 1 . 2]" 1
1502 1 29 HIS HD2 1 66 PHE QE . . 5.470 3.465 2.800 4.045 . 0 0 "[ . 1 . 2]" 1
1503 1 29 HIS HD2 1 30 LEU H . . 4.050 2.244 1.927 2.576 . 0 0 "[ . 1 . 2]" 1
1504 1 47 ALA HA 1 50 TYR HB2 . . 5.070 2.204 2.092 2.356 . 0 0 "[ . 1 . 2]" 1
1505 1 50 TYR HB3 1 78 MET H . . 5.020 4.203 3.842 4.511 . 0 0 "[ . 1 . 2]" 1
1506 1 50 TYR QE 1 81 HIS HB2 . . 4.240 2.644 2.359 3.208 . 0 0 "[ . 1 . 2]" 1
1507 1 50 TYR QE 1 87 LEU MD2 . . 4.890 4.880 4.825 4.894 0.004 17 0 "[ . 1 . 2]" 1
1508 1 46 LEU HB2 1 50 TYR QE . . 5.340 4.029 3.811 4.227 . 0 0 "[ . 1 . 2]" 1
1509 1 54 LYS HB2 1 70 GLU HG3 . . 5.100 4.673 4.460 4.812 . 0 0 "[ . 1 . 2]" 1
1510 1 54 LYS HG2 1 70 GLU HG3 . . 5.410 4.343 4.018 4.592 . 0 0 "[ . 1 . 2]" 1
1511 1 54 LYS HD3 1 70 GLU HG3 . . 4.110 2.167 2.007 2.411 . 0 0 "[ . 1 . 2]" 1
1512 1 47 ALA MB 1 67 ILE MG . . 2.900 2.216 1.899 2.355 . 0 0 "[ . 1 . 2]" 1
1513 1 46 LEU HA 1 46 LEU HG . . 4.270 3.705 3.676 3.734 . 0 0 "[ . 1 . 2]" 1
1514 1 45 LYS H 1 45 LYS HG3 . . 4.330 3.478 3.049 3.990 . 0 0 "[ . 1 . 2]" 1
1515 1 45 LYS HA 1 45 LYS HG2 . . 3.920 2.519 2.087 3.904 . 0 0 "[ . 1 . 2]" 1
1516 1 44 LEU HA 1 46 LEU HG . . 4.300 3.512 3.405 3.649 . 0 0 "[ . 1 . 2]" 1
1517 1 44 LEU HA 1 46 LEU MD2 . . 4.600 4.025 3.812 4.233 . 0 0 "[ . 1 . 2]" 1
1518 1 42 ALA HA 1 44 LEU H . . 5.020 4.140 4.095 4.194 . 0 0 "[ . 1 . 2]" 1
1519 1 38 TYR HB2 1 39 SER H . . 4.890 2.276 2.019 2.568 . 0 0 "[ . 1 . 2]" 1
1520 1 38 TYR QD 1 58 LEU MD2 . . 4.970 4.877 4.724 4.972 0.002 20 0 "[ . 1 . 2]" 1
1521 1 33 LEU MD1 1 94 VAL HB . . 5.430 5.229 5.013 5.410 . 0 0 "[ . 1 . 2]" 1
1522 1 32 ASN HA 1 33 LEU HA . . 5.170 4.586 4.468 4.662 . 0 0 "[ . 1 . 2]" 1
1523 1 28 ILE MG 1 30 LEU HA . . 4.450 4.101 3.949 4.317 . 0 0 "[ . 1 . 2]" 1
1524 1 30 LEU H 1 30 LEU MD2 . . 4.370 4.081 3.824 4.261 . 0 0 "[ . 1 . 2]" 1
1525 1 30 LEU MD2 1 97 ASP H . . 4.450 4.154 3.695 4.453 0.003 9 0 "[ . 1 . 2]" 1
1526 1 30 LEU MD2 1 78 MET ME . . 3.230 2.178 1.943 2.700 . 0 0 "[ . 1 . 2]" 1
1527 1 28 ILE MG 1 30 LEU MD2 . . 2.710 2.520 2.019 2.701 . 0 0 "[ . 1 . 2]" 1
1528 1 29 HIS HA 1 65 ALA H . . 5.040 4.708 4.323 5.041 0.001 4 0 "[ . 1 . 2]" 1
1529 1 28 ILE HA 1 97 ASP H . . 5.030 4.712 4.449 4.962 . 0 0 "[ . 1 . 2]" 1
1530 1 28 ILE HA 1 29 HIS HB2 . . 4.970 4.507 4.297 4.751 . 0 0 "[ . 1 . 2]" 1
1531 1 28 ILE MG 1 30 LEU HG . . 3.380 2.214 1.996 2.524 . 0 0 "[ . 1 . 2]" 1
1532 1 27 VAL HA 1 27 VAL MG1 . . 3.410 2.444 2.323 2.531 . 0 0 "[ . 1 . 2]" 1
1533 1 26 ARG HB2 1 69 MET H . . 5.290 3.868 3.538 4.502 . 0 0 "[ . 1 . 2]" 1
1534 1 42 ALA H 1 43 VAL HB . . 5.450 4.922 4.785 5.000 . 0 0 "[ . 1 . 2]" 1
1535 1 43 VAL HB 1 45 LYS H . . 5.500 5.001 4.915 5.147 . 0 0 "[ . 1 . 2]" 1
1536 1 25 GLY HA3 1 103 LYS HG2 . . 5.500 3.161 1.988 5.067 . 0 0 "[ . 1 . 2]" 1
1537 1 25 GLY HA3 1 103 LYS HG3 . . 5.500 3.228 1.983 4.859 . 0 0 "[ . 1 . 2]" 1
1538 1 24 LEU HA 1 24 LEU HG . . 4.180 2.982 2.349 3.777 . 0 0 "[ . 1 . 2]" 1
1539 1 21 LYS HA 1 21 LYS HD2 . . 5.500 4.395 3.432 5.451 . 0 0 "[ . 1 . 2]" 1
1540 1 21 LYS HA 1 21 LYS HD3 . . 5.500 4.257 2.310 5.137 . 0 0 "[ . 1 . 2]" 1
1541 1 21 LYS HA 1 24 LEU HG . . 5.500 4.676 3.334 5.411 . 0 0 "[ . 1 . 2]" 1
1542 1 20 GLN HG2 1 21 LYS HA . . 5.500 4.680 3.655 5.496 . 0 0 "[ . 1 . 2]" 1
1543 1 20 GLN HG3 1 21 LYS HA . . 5.500 4.869 3.888 5.456 . 0 0 "[ . 1 . 2]" 1
1544 1 13 LYS HB2 1 14 PRO HD3 . . 5.500 4.710 3.461 5.038 . 0 0 "[ . 1 . 2]" 1
1545 1 13 LYS HB3 1 14 PRO HD3 . . 5.500 4.658 3.456 5.027 . 0 0 "[ . 1 . 2]" 1
1546 1 20 GLN HA 1 20 GLN HG2 . . 4.250 3.400 2.672 3.858 . 0 0 "[ . 1 . 2]" 1
1547 1 20 GLN HA 1 20 GLN HG3 . . 4.250 2.692 2.038 4.149 . 0 0 "[ . 1 . 2]" 1
1548 1 13 LYS HA 1 14 PRO HD2 . . 3.710 2.124 1.979 2.637 . 0 0 "[ . 1 . 2]" 1
1549 1 13 LYS HA 1 14 PRO HD3 . . 3.710 2.596 2.254 2.920 . 0 0 "[ . 1 . 2]" 1
1550 1 52 LYS HB2 1 70 GLU HB2 . . 3.910 2.038 1.994 2.230 . 0 0 "[ . 1 . 2]" 1
1551 1 52 LYS HB2 1 70 GLU HB3 . . 4.580 2.848 2.491 3.035 . 0 0 "[ . 1 . 2]" 1
1552 1 52 LYS HA 1 52 LYS HD2 . . 5.170 3.982 3.272 4.315 . 0 0 "[ . 1 . 2]" 1
1553 1 52 LYS HA 1 52 LYS HD3 . . 5.170 3.592 3.039 4.172 . 0 0 "[ . 1 . 2]" 1
1554 1 53 ILE MG 1 56 TYR HB3 . . 4.580 2.337 2.230 2.554 . 0 0 "[ . 1 . 2]" 1
1555 1 45 LYS HA 1 53 ILE MD . . 4.560 4.448 4.303 4.572 0.012 16 0 "[ . 1 . 2]" 1
1556 1 53 ILE HA 1 54 LYS HB3 . . 5.500 5.439 5.367 5.499 . 0 0 "[ . 1 . 2]" 1
1557 1 53 ILE MG 1 55 ASN HA . . 4.480 3.384 3.311 3.549 . 0 0 "[ . 1 . 2]" 1
1558 1 53 ILE MG 1 55 ASN HB3 . . 5.170 4.800 4.666 4.951 . 0 0 "[ . 1 . 2]" 1
1559 1 56 TYR QE 1 57 ILE HA . . 5.500 4.454 4.309 4.661 . 0 0 "[ . 1 . 2]" 1
1560 1 55 ASN HA 1 56 TYR QE . . 5.370 5.333 5.245 5.370 0.000 1 0 "[ . 1 . 2]" 1
1561 1 56 TYR H 1 56 TYR QE . . 4.940 4.480 4.329 4.646 . 0 0 "[ . 1 . 2]" 1
1562 1 56 TYR QE 1 57 ILE H . . 5.280 5.124 4.928 5.279 . 0 0 "[ . 1 . 2]" 1
1563 1 57 ILE HG13 1 105 LEU MD1 . . 3.660 2.544 2.102 2.762 . 0 0 "[ . 1 . 2]" 1
1564 1 40 ASP HA 1 58 LEU HB2 . . 4.930 4.352 4.186 4.476 . 0 0 "[ . 1 . 2]" 1
1565 1 57 ILE HA 1 58 LEU HB2 . . 5.200 4.147 4.091 4.178 . 0 0 "[ . 1 . 2]" 1
1566 1 58 LEU HA 1 58 LEU HG . . 4.050 3.633 3.629 3.637 . 0 0 "[ . 1 . 2]" 1
1567 1 58 LEU HA 1 58 LEU MD1 . . 3.110 2.190 2.001 2.372 . 0 0 "[ . 1 . 2]" 1
1568 1 58 LEU HA 1 58 LEU MD2 . . 3.140 2.139 2.029 2.329 . 0 0 "[ . 1 . 2]" 1
1569 1 62 LYS HA 1 62 LYS HG2 . . 3.850 2.866 2.345 3.472 . 0 0 "[ . 1 . 2]" 1
1570 1 62 LYS HA 1 62 LYS HG3 . . 3.850 2.631 2.080 3.649 . 0 0 "[ . 1 . 2]" 1
1571 1 62 LYS H 1 62 LYS HD2 . . 5.500 4.232 2.302 5.413 . 0 0 "[ . 1 . 2]" 1
1572 1 62 LYS H 1 62 LYS HD3 . . 5.500 4.504 2.875 5.498 . 0 0 "[ . 1 . 2]" 1
1573 1 62 LYS HA 1 62 LYS HD2 . . 5.450 4.285 3.210 4.768 . 0 0 "[ . 1 . 2]" 1
1574 1 62 LYS HA 1 62 LYS HD3 . . 5.450 4.231 2.235 4.779 . 0 0 "[ . 1 . 2]" 1
1575 1 33 LEU HG 1 64 GLN HA . . 4.710 3.635 3.266 3.928 . 0 0 "[ . 1 . 2]" 1
1576 1 30 LEU H 1 65 ALA MB . . 4.240 3.913 3.623 4.239 . 0 0 "[ . 1 . 2]" 1
1577 1 30 LEU HB2 1 65 ALA MB . . 3.620 2.434 2.151 2.800 . 0 0 "[ . 1 . 2]" 1
1578 1 58 LEU HB3 1 65 ALA MB . . 5.010 4.555 4.326 4.781 . 0 0 "[ . 1 . 2]" 1
1579 1 30 LEU H 1 66 PHE HA . . 4.480 3.344 3.075 3.601 . 0 0 "[ . 1 . 2]" 1
1580 1 29 HIS HB2 1 66 PHE QD . . 4.090 3.354 2.617 3.928 . 0 0 "[ . 1 . 2]" 1
1581 1 27 VAL MG1 1 66 PHE QE . . 5.500 3.578 3.120 4.094 . 0 0 "[ . 1 . 2]" 1
1582 1 57 ILE MG 1 66 PHE QE . . 5.500 3.728 3.342 4.518 . 0 0 "[ . 1 . 2]" 1
1583 1 28 ILE HG12 1 67 ILE HB . . 4.510 4.199 3.875 4.514 0.004 1 0 "[ . 1 . 2]" 1
1584 1 56 TYR HB3 1 67 ILE HG12 . . 5.100 3.402 3.147 3.514 . 0 0 "[ . 1 . 2]" 1
1585 1 56 TYR HB2 1 67 ILE HG12 . . 5.100 2.389 2.235 2.488 . 0 0 "[ . 1 . 2]" 1
1586 1 28 ILE HG13 1 69 MET HA . . 5.500 5.259 5.051 5.506 0.006 1 0 "[ . 1 . 2]" 1
1587 1 53 ILE HG13 1 69 MET HA . . 5.500 4.382 3.777 4.819 . 0 0 "[ . 1 . 2]" 1
1588 1 71 THR HB 1 72 ARG HB2 . . 5.440 4.768 4.156 5.234 . 0 0 "[ . 1 . 2]" 1
1589 1 71 THR HB 1 72 ARG HB3 . . 5.500 4.716 4.471 5.350 . 0 0 "[ . 1 . 2]" 1
1590 1 71 THR HA 1 71 THR MG . . 3.270 2.620 2.571 2.692 . 0 0 "[ . 1 . 2]" 1
1591 1 71 THR MG 1 73 GLU H . . 4.740 4.396 4.198 4.699 . 0 0 "[ . 1 . 2]" 1
1592 1 72 ARG HA 1 75 ALA H . . 4.580 3.747 3.490 4.038 . 0 0 "[ . 1 . 2]" 1
1593 1 60 ARG HA 1 63 SER H . . 4.300 3.361 3.064 3.521 . 0 0 "[ . 1 . 2]" 1
1594 1 72 ARG HB3 1 73 GLU HA . . 4.430 4.039 3.757 4.216 . 0 0 "[ . 1 . 2]" 1
1595 1 73 GLU HA 1 77 ALA MB . . 4.880 4.496 4.180 4.780 . 0 0 "[ . 1 . 2]" 1
1596 1 71 THR H 1 74 ASP HB3 . . 4.810 4.538 4.327 4.725 . 0 0 "[ . 1 . 2]" 1
1597 1 76 MET HG3 1 77 ALA H . . 4.820 4.631 4.323 4.812 . 0 0 "[ . 1 . 2]" 1
1598 1 72 ARG HA 1 76 MET HG2 . . 4.510 3.787 3.549 4.062 . 0 0 "[ . 1 . 2]" 1
1599 1 73 GLU HA 1 76 MET HG2 . . 5.070 4.528 4.143 4.839 . 0 0 "[ . 1 . 2]" 1
1600 1 76 MET ME 1 76 MET HG2 . . 3.290 2.086 1.996 2.232 . 0 0 "[ . 1 . 2]" 1
1601 1 72 ARG HG2 1 76 MET HG2 . . 4.890 3.240 2.529 4.034 . 0 0 "[ . 1 . 2]" 1
1602 1 72 ARG HG3 1 76 MET HG2 . . 4.890 2.813 2.195 4.131 . 0 0 "[ . 1 . 2]" 1
1603 1 79 VAL HA 1 82 CYS HB2 . . 5.060 3.841 3.420 4.420 . 0 0 "[ . 1 . 2]" 1
1604 1 79 VAL HA 1 82 CYS HB3 . . 5.060 3.061 2.757 3.400 . 0 0 "[ . 1 . 2]" 1
1605 1 79 VAL MG1 1 97 ASP H . . 4.590 3.641 3.349 3.874 . 0 0 "[ . 1 . 2]" 1
1606 1 79 VAL MG1 1 98 LEU HG . . 3.650 3.240 3.078 3.451 . 0 0 "[ . 1 . 2]" 1
1607 1 79 VAL MG2 1 80 ASP HB2 . . 4.800 3.044 2.858 3.343 . 0 0 "[ . 1 . 2]" 1
1608 1 79 VAL MG2 1 98 LEU HG . . 4.800 4.541 4.318 4.791 . 0 0 "[ . 1 . 2]" 1
1609 1 79 VAL MG2 1 98 LEU HB2 . . 3.960 2.881 2.711 3.240 . 0 0 "[ . 1 . 2]" 1
1610 1 83 LEU HB2 1 85 LYS H . . 5.020 4.833 4.687 4.994 . 0 0 "[ . 1 . 2]" 1
1611 1 83 LEU HB3 1 83 LEU MD1 . . 3.230 2.500 2.172 2.680 . 0 0 "[ . 1 . 2]" 1
1612 1 83 LEU MD1 1 84 LYS H . . 4.880 4.195 3.916 4.473 . 0 0 "[ . 1 . 2]" 1
1613 1 83 LEU H 1 83 LEU MD1 . . 4.050 3.470 3.208 3.899 . 0 0 "[ . 1 . 2]" 1
1614 1 83 LEU MD2 1 84 LYS H . . 4.880 4.660 4.520 4.801 . 0 0 "[ . 1 . 2]" 1
1615 1 85 LYS HA 1 86 ALA HA . . 4.510 4.333 4.324 4.346 . 0 0 "[ . 1 . 2]" 1
1616 1 87 LEU HA 1 88 TRP HA . . 4.710 4.397 4.389 4.408 . 0 0 "[ . 1 . 2]" 1
1617 1 88 TRP HA 1 92 ARG HB2 . . 5.500 5.112 4.874 5.421 . 0 0 "[ . 1 . 2]" 1
1618 1 88 TRP HA 1 94 VAL HB . . 5.500 5.453 5.342 5.504 0.004 12 0 "[ . 1 . 2]" 1
1619 1 90 GLN HA 1 92 ARG H . . 5.080 4.598 3.995 5.003 . 0 0 "[ . 1 . 2]" 1
1620 1 89 PHE QD 1 90 GLN HA . . 5.270 4.403 3.882 5.050 . 0 0 "[ . 1 . 2]" 1
1621 1 92 ARG HB3 1 94 VAL MG1 . . 4.870 4.630 4.368 4.864 . 0 0 "[ . 1 . 2]" 1
1622 1 44 LEU HA 1 45 LYS HA . . 5.350 4.833 4.799 4.857 . 0 0 "[ . 1 . 2]" 1
1623 1 93 CYS HA 1 94 VAL HA . . 5.500 4.709 4.461 4.799 . 0 0 "[ . 1 . 2]" 1
1624 1 94 VAL HA 1 95 LYS HB2 . . 4.730 4.123 4.089 4.173 . 0 0 "[ . 1 . 2]" 1
1625 1 92 ARG H 1 94 VAL MG1 . . 4.800 4.634 4.259 4.799 . 0 0 "[ . 1 . 2]" 1
1626 1 88 TRP HB3 1 94 VAL MG1 . . 5.500 5.247 4.971 5.420 . 0 0 "[ . 1 . 2]" 1
1627 1 94 VAL MG2 1 95 LYS HA . . 4.740 3.780 3.596 3.949 . 0 0 "[ . 1 . 2]" 1
1628 1 78 MET ME 1 96 VAL MG1 . . 3.700 3.392 2.797 3.701 0.001 1 0 "[ . 1 . 2]" 1
1629 1 78 MET ME 1 96 VAL MG2 . . 3.330 2.207 1.906 2.585 . 0 0 "[ . 1 . 2]" 1
1630 1 78 MET HG3 1 96 VAL MG2 . . 4.000 3.699 2.886 3.977 . 0 0 "[ . 1 . 2]" 1
1631 1 25 GLY H 1 103 LYS HA . . 5.030 4.486 4.008 5.018 . 0 0 "[ . 1 . 2]" 1
1632 1 103 LYS HG2 1 104 LYS H . . 5.500 4.517 3.010 5.147 . 0 0 "[ . 1 . 2]" 1
1633 1 103 LYS HG3 1 104 LYS H . . 5.500 4.549 2.456 5.467 . 0 0 "[ . 1 . 2]" 1
1634 1 27 VAL MG1 1 104 LYS HA . . 5.280 5.065 4.671 5.286 0.006 1 0 "[ . 1 . 2]" 1
1635 1 55 ASN HB3 1 105 LEU HB3 . . 4.660 3.934 3.344 4.365 . 0 0 "[ . 1 . 2]" 1
1636 1 55 ASN H 1 105 LEU MD1 . . 4.850 4.523 4.295 4.729 . 0 0 "[ . 1 . 2]" 1
1637 1 67 ILE H 1 105 LEU MD1 . . 4.890 4.098 3.259 4.519 . 0 0 "[ . 1 . 2]" 1
1638 1 29 HIS HE1 1 66 PHE QE . . 4.720 3.862 2.740 4.556 . 0 0 "[ . 1 . 2]" 1
1639 1 13 LYS HA 1 14 PRO QD . . 3.220 1.996 1.936 2.240 . 0 0 "[ . 1 . 2]" 1
1640 1 13 LYS QB 1 14 PRO QD . . 4.320 3.167 1.994 3.827 . 0 0 "[ . 1 . 2]" 1
1641 1 20 GLN HA 1 20 GLN QG . . 3.680 2.500 2.014 3.378 . 0 0 "[ . 1 . 2]" 1
1642 1 21 LYS HA 1 21 LYS QG . . 3.730 2.456 2.085 3.343 . 0 0 "[ . 1 . 2]" 1
1643 1 21 LYS HA 1 24 LEU QD . . 4.160 3.439 2.164 4.112 . 0 0 "[ . 1 . 2]" 1
1644 1 22 GLN HA 1 22 GLN QG . . 3.690 2.326 2.009 3.338 . 0 0 "[ . 1 . 2]" 1
1645 1 23 GLU HA 1 23 GLU QG . . 3.690 2.396 2.017 3.354 . 0 0 "[ . 1 . 2]" 1
1646 1 23 GLU HA 1 24 LEU QD . . 4.070 3.843 3.212 4.065 . 0 0 "[ . 1 . 2]" 1
1647 1 23 GLU QB 1 24 LEU H . . 4.080 3.476 2.545 3.997 . 0 0 "[ . 1 . 2]" 1
1648 1 24 LEU H 1 24 LEU QB . . 3.670 2.553 2.144 3.365 . 0 0 "[ . 1 . 2]" 1
1649 1 24 LEU HA 1 24 LEU QD . . 2.830 2.452 1.987 2.828 . 0 0 "[ . 1 . 2]" 1
1650 1 24 LEU QB 1 24 LEU QD . . 2.690 1.878 1.739 2.047 . 0 0 "[ . 1 . 2]" 1
1651 1 24 LEU QB 1 25 GLY H . . 3.890 2.717 1.875 3.786 . 0 0 "[ . 1 . 2]" 1
1652 1 24 LEU QB 1 72 ARG QD . . 3.550 2.581 1.982 3.216 . 0 0 "[ . 1 . 2]" 1
1653 1 24 LEU QD 1 25 GLY H . . 4.250 3.708 3.087 4.206 . 0 0 "[ . 1 . 2]" 1
1654 1 24 LEU QD 1 72 ARG QG . . 4.200 3.845 3.408 4.202 0.002 12 0 "[ . 1 . 2]" 1
1655 1 24 LEU QD 1 72 ARG QD . . 3.810 2.344 1.914 3.088 . 0 0 "[ . 1 . 2]" 1
1656 1 25 GLY QA 1 98 LEU MD2 . . 5.340 5.032 4.762 5.224 . 0 0 "[ . 1 . 2]" 1
1657 1 25 GLY QA 1 103 LYS HA . . 3.640 2.049 1.862 2.382 . 0 0 "[ . 1 . 2]" 1
1658 1 25 GLY QA 1 103 LYS QB . . 3.670 3.066 1.862 3.662 . 0 0 "[ . 1 . 2]" 1
1659 1 25 GLY QA 1 103 LYS QG . . 4.250 2.408 1.691 3.845 . 0 0 "[ . 1 . 2]" 1
1660 1 25 GLY QA 1 103 LYS QD . . 4.220 3.305 2.281 3.881 . 0 0 "[ . 1 . 2]" 1
1661 1 26 ARG H 1 26 ARG QG . . 3.800 2.738 1.921 3.320 . 0 0 "[ . 1 . 2]" 1
1662 1 26 ARG HA 1 26 ARG QG . . 3.600 2.652 2.245 3.403 . 0 0 "[ . 1 . 2]" 1
1663 1 26 ARG HA 1 26 ARG QD . . 5.040 4.019 3.675 4.201 . 0 0 "[ . 1 . 2]" 1
1664 1 26 ARG QB 1 26 ARG QD . . 3.280 2.037 1.926 2.422 . 0 0 "[ . 1 . 2]" 1
1665 1 26 ARG QB 1 69 MET H . . 4.520 3.376 2.701 3.602 . 0 0 "[ . 1 . 2]" 1
1666 1 26 ARG QB 1 72 ARG HA . . 3.910 3.051 1.966 3.876 . 0 0 "[ . 1 . 2]" 1
1667 1 26 ARG QB 1 75 ALA MB . . 4.320 2.464 2.194 2.636 . 0 0 "[ . 1 . 2]" 1
1668 1 26 ARG QG 1 69 MET H . . 5.340 4.885 3.229 5.343 0.003 11 0 "[ . 1 . 2]" 1
1669 1 26 ARG QG 1 71 THR HA . . 5.190 4.180 3.546 4.865 . 0 0 "[ . 1 . 2]" 1
1670 1 26 ARG QG 1 72 ARG H . . 4.810 3.700 3.153 4.261 . 0 0 "[ . 1 . 2]" 1
1671 1 26 ARG QG 1 72 ARG HA . . 3.590 2.305 1.924 3.586 . 0 0 "[ . 1 . 2]" 1
1672 1 26 ARG QG 1 72 ARG HB2 . . 5.120 3.239 2.388 4.729 . 0 0 "[ . 1 . 2]" 1
1673 1 26 ARG QG 1 75 ALA MB . . 4.370 3.238 2.303 3.778 . 0 0 "[ . 1 . 2]" 1
1674 1 26 ARG QD 1 71 THR HA . . 3.690 2.695 2.260 3.160 . 0 0 "[ . 1 . 2]" 1
1675 1 26 ARG QD 1 72 ARG H . . 4.410 2.862 2.235 3.680 . 0 0 "[ . 1 . 2]" 1
1676 1 26 ARG QD 1 72 ARG HA . . 3.990 3.046 2.462 3.722 . 0 0 "[ . 1 . 2]" 1
1677 1 26 ARG QD 1 72 ARG HB2 . . 4.240 3.077 2.218 3.974 . 0 0 "[ . 1 . 2]" 1
1678 1 27 VAL HA 1 69 MET QG . . 5.340 4.970 4.677 5.248 . 0 0 "[ . 1 . 2]" 1
1679 1 27 VAL HB 1 99 SER QB . . 3.920 2.640 2.048 3.896 . 0 0 "[ . 1 . 2]" 1
1680 1 27 VAL MG1 1 102 TYR QB . . 3.910 2.814 2.324 3.176 . 0 0 "[ . 1 . 2]" 1
1681 1 27 VAL MG2 1 68 GLU QG . . 3.360 3.296 2.920 3.369 0.009 17 0 "[ . 1 . 2]" 1
1682 1 27 VAL MG2 1 102 TYR QB . . 3.700 2.454 1.966 2.959 . 0 0 "[ . 1 . 2]" 1
1683 1 27 VAL MG2 1 104 LYS QB . . 4.860 4.341 3.915 4.776 . 0 0 "[ . 1 . 2]" 1
1684 1 28 ILE HB 1 67 ILE QG . . 5.340 3.868 3.677 4.119 . 0 0 "[ . 1 . 2]" 1
1685 1 28 ILE MG 1 78 MET QG . . 4.470 3.346 2.772 3.595 . 0 0 "[ . 1 . 2]" 1
1686 1 28 ILE HG12 1 69 MET QG . . 4.470 2.468 2.213 2.722 . 0 0 "[ . 1 . 2]" 1
1687 1 28 ILE HG13 1 69 MET QG . . 4.150 2.436 2.260 2.582 . 0 0 "[ . 1 . 2]" 1
1688 1 28 ILE MD 1 69 MET QG . . 3.580 2.935 2.664 3.299 . 0 0 "[ . 1 . 2]" 1
1689 1 28 ILE MD 1 78 MET QB . . 3.720 1.976 1.910 2.136 . 0 0 "[ . 1 . 2]" 1
1690 1 28 ILE MD 1 78 MET QG . . 3.650 3.309 2.761 3.610 . 0 0 "[ . 1 . 2]" 1
1691 1 29 HIS H 1 97 ASP QB . . 4.920 4.598 4.376 4.912 . 0 0 "[ . 1 . 2]" 1
1692 1 29 HIS HB2 1 99 SER QB . . 4.040 2.303 1.991 3.203 . 0 0 "[ . 1 . 2]" 1
1693 1 29 HIS HB3 1 97 ASP QB . . 3.970 3.509 3.116 3.974 0.004 15 0 "[ . 1 . 2]" 1
1694 1 29 HIS HB3 1 99 SER QB . . 4.680 3.760 3.019 4.595 . 0 0 "[ . 1 . 2]" 1
1695 1 29 HIS HD2 1 64 GLN QB . . 4.590 3.690 3.146 4.383 . 0 0 "[ . 1 . 2]" 1
1696 1 30 LEU HA 1 31 SER QB . . 4.530 4.451 4.313 4.528 . 0 0 "[ . 1 . 2]" 1
1697 1 31 SER HA 1 64 GLN QB . . 4.670 4.110 3.541 4.398 . 0 0 "[ . 1 . 2]" 1
1698 1 31 SER HA 1 64 GLN QG . . 3.910 2.662 2.197 2.988 . 0 0 "[ . 1 . 2]" 1
1699 1 31 SER QB 1 32 ASN HA . . 4.460 4.210 4.072 4.296 . 0 0 "[ . 1 . 2]" 1
1700 1 31 SER QB 1 32 ASN QB . . 4.280 3.270 3.135 3.575 . 0 0 "[ . 1 . 2]" 1
1701 1 31 SER QB 1 64 GLN HA . . 4.900 4.783 4.358 4.905 0.005 17 0 "[ . 1 . 2]" 1
1702 1 31 SER QB 1 64 GLN QG . . 4.110 3.544 2.954 3.899 . 0 0 "[ . 1 . 2]" 1
1703 1 31 SER QB 1 95 LYS HB2 . . 4.050 3.200 2.523 4.048 . 0 0 "[ . 1 . 2]" 1
1704 1 31 SER QB 1 95 LYS HB3 . . 3.840 2.929 2.501 3.851 0.011 19 0 "[ . 1 . 2]" 1
1705 1 32 ASN H 1 63 SER QB . . 4.220 3.885 3.512 4.218 . 0 0 "[ . 1 . 2]" 1
1706 1 32 ASN H 1 64 GLN QG . . 5.180 3.552 3.322 3.758 . 0 0 "[ . 1 . 2]" 1
1707 1 32 ASN HA 1 63 SER QB . . 5.300 3.701 3.507 3.874 . 0 0 "[ . 1 . 2]" 1
1708 1 32 ASN QB 1 32 ASN QD . . 3.060 2.119 2.064 2.270 . 0 0 "[ . 1 . 2]" 1
1709 1 32 ASN QB 1 94 VAL HA . . 3.500 2.306 2.055 2.539 . 0 0 "[ . 1 . 2]" 1
1710 1 32 ASN QB 1 94 VAL MG2 . . 4.570 3.561 3.351 3.927 . 0 0 "[ . 1 . 2]" 1
1711 1 32 ASN QB 1 95 LYS H . . 3.780 2.660 2.404 2.968 . 0 0 "[ . 1 . 2]" 1
1712 1 32 ASN QD 1 92 ARG QD . . 4.440 3.375 2.420 4.223 . 0 0 "[ . 1 . 2]" 1
1713 1 32 ASN QD 1 93 CYS H . . 3.820 3.481 2.934 3.792 . 0 0 "[ . 1 . 2]" 1
1714 1 33 LEU H 1 63 SER QB . . 3.440 2.492 2.059 2.781 . 0 0 "[ . 1 . 2]" 1
1715 1 33 LEU H 1 64 GLN QG . . 4.790 4.608 4.385 4.785 . 0 0 "[ . 1 . 2]" 1
1716 1 33 LEU HA 1 34 PRO QG . . 4.540 3.992 3.938 4.026 . 0 0 "[ . 1 . 2]" 1
1717 1 33 LEU HB2 1 63 SER QB . . 4.040 2.571 2.142 2.799 . 0 0 "[ . 1 . 2]" 1
1718 1 33 LEU MD2 1 34 PRO QG . . 4.120 3.681 3.507 3.893 . 0 0 "[ . 1 . 2]" 1
1719 1 34 PRO HA 1 92 ARG QG . . 4.140 3.266 2.353 3.726 . 0 0 "[ . 1 . 2]" 1
1720 1 34 PRO QG 1 36 SER H . . 4.620 3.985 3.798 4.131 . 0 0 "[ . 1 . 2]" 1
1721 1 34 PRO QG 1 38 TYR QD . . 4.320 3.392 3.222 3.565 . 0 0 "[ . 1 . 2]" 1
1722 1 34 PRO QG 1 38 TYR QE . . 4.350 2.351 2.024 2.556 . 0 0 "[ . 1 . 2]" 1
1723 1 34 PRO QG 1 89 PHE QD . . 4.400 2.668 2.197 3.398 . 0 0 "[ . 1 . 2]" 1
1724 1 34 PRO HD3 1 92 ARG QG . . 4.730 3.364 2.340 4.023 . 0 0 "[ . 1 . 2]" 1
1725 1 34 PRO HD3 1 92 ARG QD . . 4.340 3.686 2.948 4.222 . 0 0 "[ . 1 . 2]" 1
1726 1 38 TYR HA 1 90 GLN QE . . 4.470 4.195 3.415 4.473 0.003 12 0 "[ . 1 . 2]" 1
1727 1 38 TYR HB3 1 90 GLN QE . . 4.000 2.513 1.869 3.137 . 0 0 "[ . 1 . 2]" 1
1728 1 39 SER QB 1 40 ASP H . . 4.000 2.929 2.461 3.413 . 0 0 "[ . 1 . 2]" 1
1729 1 39 SER QB 1 41 SER H . . 4.750 2.823 2.477 3.198 . 0 0 "[ . 1 . 2]" 1
1730 1 39 SER QB 1 42 ALA H . . 4.270 3.357 2.954 4.141 . 0 0 "[ . 1 . 2]" 1
1731 1 40 ASP QB 1 41 SER HA . . 4.950 4.236 4.003 4.467 . 0 0 "[ . 1 . 2]" 1
1732 1 40 ASP QB 1 44 LEU MD1 . . 4.060 3.056 2.826 3.396 . 0 0 "[ . 1 . 2]" 1
1733 1 40 ASP QB 1 56 TYR QE . . 3.900 2.084 1.942 2.268 . 0 0 "[ . 1 . 2]" 1
1734 1 40 ASP QB 1 58 LEU MD1 . . 4.310 4.116 3.751 4.304 . 0 0 "[ . 1 . 2]" 1
1735 1 41 SER H 1 41 SER QB . . 3.540 2.133 2.061 2.538 . 0 0 "[ . 1 . 2]" 1
1736 1 41 SER QB 1 42 ALA MB . . 4.770 3.918 3.771 4.546 . 0 0 "[ . 1 . 2]" 1
1737 1 41 SER QB 1 44 LEU HB2 . . 5.300 4.543 4.059 4.805 . 0 0 "[ . 1 . 2]" 1
1738 1 41 SER QB 1 44 LEU MD1 . . 4.480 3.918 3.446 4.140 . 0 0 "[ . 1 . 2]" 1
1739 1 41 SER QB 1 45 LYS QG . . 5.180 3.974 3.424 5.190 0.010 1 0 "[ . 1 . 2]" 1
1740 1 42 ALA H 1 45 LYS QB . . 4.890 4.817 4.666 4.891 0.001 12 0 "[ . 1 . 2]" 1
1741 1 42 ALA HA 1 45 LYS QB . . 3.570 2.607 2.449 3.087 . 0 0 "[ . 1 . 2]" 1
1742 1 42 ALA HA 1 45 LYS QG . . 4.470 3.252 2.872 3.608 . 0 0 "[ . 1 . 2]" 1
1743 1 42 ALA HA 1 45 LYS QD . . 4.050 2.876 1.989 3.729 . 0 0 "[ . 1 . 2]" 1
1744 1 44 LEU MD1 1 56 TYR QB . . 4.450 2.958 2.763 3.238 . 0 0 "[ . 1 . 2]" 1
1745 1 44 LEU MD2 1 67 ILE QG . . 4.300 2.097 1.898 2.256 . 0 0 "[ . 1 . 2]" 1
1746 1 45 LYS H 1 45 LYS QB . . 2.840 2.075 2.039 2.309 . 0 0 "[ . 1 . 2]" 1
1747 1 45 LYS H 1 45 LYS QG . . 3.630 3.266 2.500 3.659 0.029 12 0 "[ . 1 . 2]" 1
1748 1 45 LYS HA 1 45 LYS QG . . 3.440 2.237 2.052 3.324 . 0 0 "[ . 1 . 2]" 1
1749 1 45 LYS HA 1 45 LYS QD . . 4.660 3.844 2.675 4.201 . 0 0 "[ . 1 . 2]" 1
1750 1 45 LYS HA 1 48 GLU QG . . 3.620 2.704 2.177 2.992 . 0 0 "[ . 1 . 2]" 1
1751 1 45 LYS QB 1 46 LEU H . . 4.300 3.032 2.787 3.506 . 0 0 "[ . 1 . 2]" 1
1752 1 45 LYS QB 1 46 LEU HA . . 4.820 3.950 3.828 4.525 . 0 0 "[ . 1 . 2]" 1
1753 1 48 GLU H 1 48 GLU QG . . 3.410 3.168 3.015 3.337 . 0 0 "[ . 1 . 2]" 1
1754 1 48 GLU H 1 49 PRO QG . . 4.970 3.977 3.833 4.164 . 0 0 "[ . 1 . 2]" 1
1755 1 48 GLU HA 1 48 GLU QG . . 3.260 2.107 2.027 2.256 . 0 0 "[ . 1 . 2]" 1
1756 1 48 GLU QG 1 53 ILE MD . . 3.280 2.080 1.865 2.304 . 0 0 "[ . 1 . 2]" 1
1757 1 49 PRO QG 1 50 TYR H . . 4.680 3.265 3.165 3.296 . 0 0 "[ . 1 . 2]" 1
1758 1 50 TYR HB2 1 78 MET QB . . 4.570 3.927 3.500 4.489 . 0 0 "[ . 1 . 2]" 1
1759 1 50 TYR HB3 1 78 MET QB . . 4.560 3.296 2.987 3.892 . 0 0 "[ . 1 . 2]" 1
1760 1 50 TYR QD 1 78 MET QB . . 4.450 3.175 2.898 3.510 . 0 0 "[ . 1 . 2]" 1
1761 1 50 TYR QD 1 78 MET QG . . 4.300 3.351 3.050 3.667 . 0 0 "[ . 1 . 2]" 1
1762 1 50 TYR QE 1 78 MET QB . . 5.340 3.926 3.696 4.166 . 0 0 "[ . 1 . 2]" 1
1763 1 50 TYR QE 1 78 MET QG . . 4.100 3.201 2.984 3.383 . 0 0 "[ . 1 . 2]" 1
1764 1 50 TYR QE 1 81 HIS QB . . 3.660 2.548 2.301 2.921 . 0 0 "[ . 1 . 2]" 1
1765 1 51 GLY QA 1 52 LYS QB . . 4.520 3.958 3.888 4.049 . 0 0 "[ . 1 . 2]" 1
1766 1 51 GLY QA 1 69 MET ME . . 3.400 2.251 1.972 2.480 . 0 0 "[ . 1 . 2]" 1
1767 1 51 GLY QA 1 74 ASP QB . . 3.800 2.339 2.075 2.540 . 0 0 "[ . 1 . 2]" 1
1768 1 52 LYS H 1 52 LYS QB . . 2.900 2.114 2.051 2.226 . 0 0 "[ . 1 . 2]" 1
1769 1 52 LYS H 1 52 LYS QG . . 3.410 3.153 2.880 3.417 0.007 9 0 "[ . 1 . 2]" 1
1770 1 52 LYS H 1 52 LYS QD . . 4.820 4.310 1.984 4.625 . 0 0 "[ . 1 . 2]" 1
1771 1 52 LYS HA 1 52 LYS QD . . 4.440 3.319 2.900 3.684 . 0 0 "[ . 1 . 2]" 1
1772 1 52 LYS QB 1 53 ILE H . . 3.790 3.474 3.369 3.586 . 0 0 "[ . 1 . 2]" 1
1773 1 52 LYS QB 1 70 GLU H . . 4.390 3.879 3.649 4.066 . 0 0 "[ . 1 . 2]" 1
1774 1 52 LYS QB 1 70 GLU HB2 . . 3.300 1.954 1.866 2.057 . 0 0 "[ . 1 . 2]" 1
1775 1 52 LYS QB 1 70 GLU HB3 . . 3.740 2.794 2.451 2.993 . 0 0 "[ . 1 . 2]" 1
1776 1 52 LYS QB 1 70 GLU HG3 . . 4.620 2.783 2.591 3.024 . 0 0 "[ . 1 . 2]" 1
1777 1 52 LYS QE 1 52 LYS QG . . 3.340 2.060 1.943 2.230 . 0 0 "[ . 1 . 2]" 1
1778 1 52 LYS QG 1 53 ILE H . . 3.960 3.772 3.399 3.950 . 0 0 "[ . 1 . 2]" 1
1779 1 53 ILE MG 1 56 TYR QB . . 3.810 2.307 2.203 2.520 . 0 0 "[ . 1 . 2]" 1
1780 1 54 LYS HA 1 54 LYS QE . . 4.610 2.887 2.070 4.171 . 0 0 "[ . 1 . 2]" 1
1781 1 54 LYS HB2 1 54 LYS QE . . 4.720 3.809 3.362 4.119 . 0 0 "[ . 1 . 2]" 1
1782 1 54 LYS HB2 1 68 GLU QG . . 4.080 3.283 2.936 3.753 . 0 0 "[ . 1 . 2]" 1
1783 1 54 LYS HB3 1 68 GLU QG . . 4.130 3.485 3.066 4.094 . 0 0 "[ . 1 . 2]" 1
1784 1 54 LYS HG2 1 68 GLU QG . . 5.340 4.749 4.400 5.285 . 0 0 "[ . 1 . 2]" 1
1785 1 54 LYS QE 1 54 LYS HG3 . . 3.490 2.174 1.960 2.598 . 0 0 "[ . 1 . 2]" 1
1786 1 55 ASN H 1 68 GLU QG . . 4.380 4.010 3.706 4.377 . 0 0 "[ . 1 . 2]" 1
1787 1 56 TYR HA 1 67 ILE QG . . 4.670 3.393 3.241 3.555 . 0 0 "[ . 1 . 2]" 1
1788 1 56 TYR QB 1 57 ILE H . . 3.540 2.657 2.508 2.773 . 0 0 "[ . 1 . 2]" 1
1789 1 56 TYR QB 1 67 ILE MG . . 3.740 3.002 2.622 3.278 . 0 0 "[ . 1 . 2]" 1
1790 1 56 TYR QB 1 67 ILE QG . . 3.750 2.316 2.167 2.409 . 0 0 "[ . 1 . 2]" 1
1791 1 56 TYR QB 1 67 ILE MD . . 3.920 3.663 3.541 3.718 . 0 0 "[ . 1 . 2]" 1
1792 1 56 TYR QB 1 105 LEU MD1 . . 4.810 3.847 3.553 4.078 . 0 0 "[ . 1 . 2]" 1
1793 1 56 TYR QD 1 67 ILE QG . . 4.850 3.915 3.806 4.026 . 0 0 "[ . 1 . 2]" 1
1794 1 57 ILE MG 1 59 MET QG . . 3.140 1.965 1.862 2.207 . 0 0 "[ . 1 . 2]" 1
1795 1 59 MET H 1 59 MET QB . . 3.470 2.413 2.244 2.674 . 0 0 "[ . 1 . 2]" 1
1796 1 59 MET H 1 59 MET QG . . 3.940 2.689 2.151 3.200 . 0 0 "[ . 1 . 2]" 1
1797 1 59 MET HA 1 59 MET QG . . 3.510 2.381 2.238 2.634 . 0 0 "[ . 1 . 2]" 1
1798 1 59 MET QB 1 64 GLN H . . 4.190 2.939 2.643 3.180 . 0 0 "[ . 1 . 2]" 1
1799 1 59 MET QB 1 65 ALA HA . . 5.040 3.593 3.179 4.144 . 0 0 "[ . 1 . 2]" 1
1800 1 59 MET QB 1 65 ALA MB . . 5.260 4.305 4.060 4.593 . 0 0 "[ . 1 . 2]" 1
1801 1 59 MET QG 1 60 ARG H . . 5.080 4.127 3.815 4.473 . 0 0 "[ . 1 . 2]" 1
1802 1 59 MET QG 1 66 PHE QD . . 4.520 3.663 3.218 4.232 . 0 0 "[ . 1 . 2]" 1
1803 1 59 MET QG 1 66 PHE QE . . 4.790 3.944 3.411 4.465 . 0 0 "[ . 1 . 2]" 1
1804 1 61 MET HA 1 61 MET QG . . 3.650 2.232 2.018 2.773 . 0 0 "[ . 1 . 2]" 1
1805 1 61 MET QB 1 62 LYS H . . 3.820 2.068 1.878 2.269 . 0 0 "[ . 1 . 2]" 1
1806 1 61 MET ME 1 61 MET QG . . 3.490 2.168 1.977 2.353 . 0 0 "[ . 1 . 2]" 1
1807 1 62 LYS H 1 62 LYS QB . . 3.620 2.386 2.181 2.606 . 0 0 "[ . 1 . 2]" 1
1808 1 62 LYS H 1 64 GLN QG . . 4.530 4.029 3.409 4.482 . 0 0 "[ . 1 . 2]" 1
1809 1 62 LYS HA 1 62 LYS QD . . 4.680 3.750 2.196 4.127 . 0 0 "[ . 1 . 2]" 1
1810 1 62 LYS QB 1 62 LYS QD . . 3.210 2.075 1.957 2.192 . 0 0 "[ . 1 . 2]" 1
1811 1 62 LYS QB 1 62 LYS QE . . 4.480 3.210 2.354 3.730 . 0 0 "[ . 1 . 2]" 1
1812 1 62 LYS QB 1 63 SER H . . 4.340 3.827 3.745 3.882 . 0 0 "[ . 1 . 2]" 1
1813 1 63 SER H 1 63 SER QB . . 3.610 3.155 2.874 3.373 . 0 0 "[ . 1 . 2]" 1
1814 1 63 SER QB 1 64 GLN H . . 4.290 3.895 3.860 3.923 . 0 0 "[ . 1 . 2]" 1
1815 1 64 GLN H 1 64 GLN QB . . 3.550 2.556 2.368 2.800 . 0 0 "[ . 1 . 2]" 1
1816 1 64 GLN QG 1 65 ALA H . . 5.340 3.793 3.457 4.151 . 0 0 "[ . 1 . 2]" 1
1817 1 65 ALA MB 1 67 ILE QG . . 4.150 3.374 3.212 3.774 . 0 0 "[ . 1 . 2]" 1
1818 1 66 PHE H 1 67 ILE QG . . 5.340 4.000 3.799 4.156 . 0 0 "[ . 1 . 2]" 1
1819 1 66 PHE QD 1 99 SER QB . . 4.440 3.318 2.764 3.799 . 0 0 "[ . 1 . 2]" 1
1820 1 66 PHE QE 1 99 SER QB . . 4.810 3.253 2.408 3.867 . 0 0 "[ . 1 . 2]" 1
1821 1 67 ILE H 1 67 ILE QG . . 3.780 2.697 2.425 3.096 . 0 0 "[ . 1 . 2]" 1
1822 1 67 ILE QG 1 67 ILE MG . . 3.260 2.247 2.122 2.336 . 0 0 "[ . 1 . 2]" 1
1823 1 68 GLU HA 1 69 MET QG . . 5.340 3.948 3.824 4.047 . 0 0 "[ . 1 . 2]" 1
1824 1 68 GLU QG 1 69 MET H . . 4.150 3.228 3.088 3.340 . 0 0 "[ . 1 . 2]" 1
1825 1 68 GLU QG 1 105 LEU HG . . 5.340 4.452 4.037 5.060 . 0 0 "[ . 1 . 2]" 1
1826 1 69 MET H 1 69 MET QB . . 3.410 2.515 2.429 2.573 . 0 0 "[ . 1 . 2]" 1
1827 1 69 MET H 1 69 MET QG . . 3.440 2.224 2.080 2.442 . 0 0 "[ . 1 . 2]" 1
1828 1 69 MET QB 1 69 MET ME . . 2.940 2.095 1.973 2.346 . 0 0 "[ . 1 . 2]" 1
1829 1 69 MET QB 1 70 GLU H . . 3.840 2.331 2.178 2.619 . 0 0 "[ . 1 . 2]" 1
1830 1 69 MET QB 1 71 THR H . . 3.940 2.734 2.588 3.090 . 0 0 "[ . 1 . 2]" 1
1831 1 69 MET QB 1 75 ALA H . . 3.720 2.489 2.366 2.696 . 0 0 "[ . 1 . 2]" 1
1832 1 69 MET QB 1 75 ALA HA . . 3.980 3.522 3.319 3.837 . 0 0 "[ . 1 . 2]" 1
1833 1 69 MET QB 1 75 ALA MB . . 3.790 2.310 2.001 2.615 . 0 0 "[ . 1 . 2]" 1
1834 1 69 MET ME 1 69 MET QG . . 3.040 2.416 2.323 2.473 . 0 0 "[ . 1 . 2]" 1
1835 1 69 MET QG 1 75 ALA H . . 4.010 2.628 2.229 3.158 . 0 0 "[ . 1 . 2]" 1
1836 1 69 MET QG 1 75 ALA HA . . 3.500 2.025 1.949 2.242 . 0 0 "[ . 1 . 2]" 1
1837 1 71 THR H 1 74 ASP QB . . 4.030 3.054 2.866 3.228 . 0 0 "[ . 1 . 2]" 1
1838 1 71 THR HB 1 73 GLU QB . . 4.720 3.870 3.272 4.645 . 0 0 "[ . 1 . 2]" 1
1839 1 72 ARG H 1 72 ARG QG . . 4.400 3.955 3.544 4.043 . 0 0 "[ . 1 . 2]" 1
1840 1 72 ARG HA 1 72 ARG QG . . 3.260 2.270 2.027 2.540 . 0 0 "[ . 1 . 2]" 1
1841 1 72 ARG HA 1 72 ARG QD . . 4.070 3.441 2.675 3.929 . 0 0 "[ . 1 . 2]" 1
1842 1 72 ARG QG 1 73 GLU H . . 4.320 3.977 3.662 4.284 . 0 0 "[ . 1 . 2]" 1
1843 1 72 ARG QG 1 75 ALA MB . . 4.600 3.626 3.327 3.905 . 0 0 "[ . 1 . 2]" 1
1844 1 72 ARG QG 1 76 MET H . . 4.810 3.845 3.526 4.465 . 0 0 "[ . 1 . 2]" 1
1845 1 72 ARG QG 1 76 MET HG2 . . 4.160 2.560 2.176 3.413 . 0 0 "[ . 1 . 2]" 1
1846 1 72 ARG QD 1 98 LEU MD2 . . 5.340 3.700 2.969 4.807 . 0 0 "[ . 1 . 2]" 1
1847 1 73 GLU H 1 73 GLU QB . . 3.220 2.283 2.044 2.504 . 0 0 "[ . 1 . 2]" 1
1848 1 73 GLU HA 1 73 GLU QG . . 3.270 2.288 2.061 3.301 0.031 16 0 "[ . 1 . 2]" 1
1849 1 73 GLU QG 1 74 ASP H . . 4.510 4.138 1.939 4.512 0.002 3 0 "[ . 1 . 2]" 1
1850 1 74 ASP H 1 74 ASP QB . . 3.330 2.577 2.478 2.697 . 0 0 "[ . 1 . 2]" 1
1851 1 74 ASP QB 1 75 ALA H . . 3.400 2.022 1.892 2.317 . 0 0 "[ . 1 . 2]" 1
1852 1 74 ASP QB 1 77 ALA MB . . 4.960 4.083 3.894 4.322 . 0 0 "[ . 1 . 2]" 1
1853 1 75 ALA HA 1 78 MET QB . . 4.700 2.859 2.603 3.062 . 0 0 "[ . 1 . 2]" 1
1854 1 78 MET HA 1 78 MET QG . . 3.320 2.310 2.186 2.457 . 0 0 "[ . 1 . 2]" 1
1855 1 78 MET HA 1 81 HIS QB . . 3.840 2.914 2.570 3.186 . 0 0 "[ . 1 . 2]" 1
1856 1 78 MET QB 1 79 VAL H . . 3.580 2.147 2.016 2.268 . 0 0 "[ . 1 . 2]" 1
1857 1 78 MET ME 1 78 MET QG . . 2.890 2.126 1.999 2.206 . 0 0 "[ . 1 . 2]" 1
1858 1 78 MET QG 1 96 VAL MG1 . . 4.090 3.217 2.870 4.092 0.002 15 0 "[ . 1 . 2]" 1
1859 1 78 MET QG 1 96 VAL MG2 . . 3.250 2.344 1.989 2.967 . 0 0 "[ . 1 . 2]" 1
1860 1 79 VAL HA 1 82 CYS QB . . 4.430 2.931 2.694 3.097 . 0 0 "[ . 1 . 2]" 1
1861 1 79 VAL MG2 1 97 ASP QB . . 5.240 5.019 4.849 5.221 . 0 0 "[ . 1 . 2]" 1
1862 1 80 ASP HA 1 83 LEU QD . . 3.250 2.056 1.804 2.599 . 0 0 "[ . 1 . 2]" 1
1863 1 80 ASP HB3 1 83 LEU QD . . 4.640 4.207 3.949 4.578 . 0 0 "[ . 1 . 2]" 1
1864 1 81 HIS HA 1 84 LYS QE . . 4.420 3.601 2.863 4.221 . 0 0 "[ . 1 . 2]" 1
1865 1 81 HIS HA 1 85 LYS QB . . 4.950 4.294 3.811 4.668 . 0 0 "[ . 1 . 2]" 1
1866 1 81 HIS QB 1 82 CYS H . . 3.440 3.002 2.791 3.166 . 0 0 "[ . 1 . 2]" 1
1867 1 82 CYS H 1 82 CYS QB . . 3.450 2.246 2.177 2.315 . 0 0 "[ . 1 . 2]" 1
1868 1 82 CYS QB 1 83 LEU H . . 4.190 2.943 2.735 3.207 . 0 0 "[ . 1 . 2]" 1
1869 1 82 CYS QB 1 87 LEU H . . 4.830 3.813 3.392 4.257 . 0 0 "[ . 1 . 2]" 1
1870 1 82 CYS QB 1 87 LEU QB . . 3.990 2.538 2.072 2.978 . 0 0 "[ . 1 . 2]" 1
1871 1 82 CYS QB 1 87 LEU MD1 . . 5.280 2.328 1.967 2.856 . 0 0 "[ . 1 . 2]" 1
1872 1 82 CYS QB 1 87 LEU MD2 . . 5.260 4.355 3.963 4.689 . 0 0 "[ . 1 . 2]" 1
1873 1 82 CYS QB 1 96 VAL HB . . 4.720 4.169 3.900 4.441 . 0 0 "[ . 1 . 2]" 1
1874 1 82 CYS QB 1 96 VAL MG1 . . 3.520 1.822 1.736 1.942 . 0 0 "[ . 1 . 2]" 1
1875 1 82 CYS QB 1 96 VAL MG2 . . 4.220 3.614 3.210 3.901 . 0 0 "[ . 1 . 2]" 1
1876 1 83 LEU HA 1 83 LEU QD . . 2.830 2.245 1.976 2.574 . 0 0 "[ . 1 . 2]" 1
1877 1 83 LEU QD 1 84 LYS H . . 4.230 3.900 3.733 4.034 . 0 0 "[ . 1 . 2]" 1
1878 1 84 LYS H 1 84 LYS QG . . 3.490 2.972 2.675 3.482 . 0 0 "[ . 1 . 2]" 1
1879 1 84 LYS HA 1 84 LYS QG . . 3.200 2.309 2.193 2.417 . 0 0 "[ . 1 . 2]" 1
1880 1 84 LYS HB2 1 85 LYS QB . . 4.380 3.888 3.529 4.323 . 0 0 "[ . 1 . 2]" 1
1881 1 85 LYS H 1 85 LYS QB . . 3.270 2.554 2.474 2.702 . 0 0 "[ . 1 . 2]" 1
1882 1 85 LYS HA 1 85 LYS QG . . 3.370 2.497 2.331 2.798 . 0 0 "[ . 1 . 2]" 1
1883 1 85 LYS QG 1 86 ALA H . . 4.760 2.999 1.888 4.484 . 0 0 "[ . 1 . 2]" 1
1884 1 86 ALA HA 1 87 LEU QB . . 4.170 4.038 4.005 4.066 . 0 0 "[ . 1 . 2]" 1
1885 1 87 LEU H 1 87 LEU QB . . 3.200 2.204 2.144 2.242 . 0 0 "[ . 1 . 2]" 1
1886 1 87 LEU QB 1 87 LEU MD2 . . 3.020 2.125 2.084 2.185 . 0 0 "[ . 1 . 2]" 1
1887 1 87 LEU QB 1 88 TRP H . . 4.100 3.794 3.642 3.886 . 0 0 "[ . 1 . 2]" 1
1888 1 88 TRP HE3 1 91 GLY QA . . 4.610 3.052 2.689 3.265 . 0 0 "[ . 1 . 2]" 1
1889 1 88 TRP HZ3 1 93 CYS QB . . 4.320 3.321 2.852 3.626 . 0 0 "[ . 1 . 2]" 1
1890 1 88 TRP HZ2 1 93 CYS QB . . 5.180 3.396 2.735 3.953 . 0 0 "[ . 1 . 2]" 1
1891 1 88 TRP HH2 1 93 CYS QB . . 4.320 2.877 2.465 3.097 . 0 0 "[ . 1 . 2]" 1
1892 1 89 PHE HA 1 90 GLN QG . . 5.260 4.376 3.417 4.855 . 0 0 "[ . 1 . 2]" 1
1893 1 89 PHE QD 1 90 GLN QB . . 4.740 3.445 2.960 4.092 . 0 0 "[ . 1 . 2]" 1
1894 1 90 GLN H 1 90 GLN QG . . 3.870 3.301 2.679 3.804 . 0 0 "[ . 1 . 2]" 1
1895 1 90 GLN HA 1 90 GLN QG . . 3.430 2.383 2.036 3.323 . 0 0 "[ . 1 . 2]" 1
1896 1 90 GLN HA 1 90 GLN QE . . 5.340 4.333 3.601 5.002 . 0 0 "[ . 1 . 2]" 1
1897 1 92 ARG H 1 92 ARG QG . . 3.590 3.130 2.804 3.480 . 0 0 "[ . 1 . 2]" 1
1898 1 92 ARG HA 1 92 ARG QG . . 3.710 2.416 2.226 2.661 . 0 0 "[ . 1 . 2]" 1
1899 1 92 ARG HA 1 93 CYS QB . . 4.620 4.141 4.016 4.412 . 0 0 "[ . 1 . 2]" 1
1900 1 92 ARG HB2 1 92 ARG QD . . 3.560 3.020 2.755 3.263 . 0 0 "[ . 1 . 2]" 1
1901 1 92 ARG HB3 1 92 ARG QD . . 3.500 2.158 2.017 2.591 . 0 0 "[ . 1 . 2]" 1
1902 1 93 CYS H 1 93 CYS QB . . 3.120 2.389 2.194 2.615 . 0 0 "[ . 1 . 2]" 1
1903 1 93 CYS QB 1 94 VAL H . . 4.170 3.982 3.916 4.047 . 0 0 "[ . 1 . 2]" 1
1904 1 95 LYS H 1 95 LYS QG . . 4.180 3.885 3.644 4.063 . 0 0 "[ . 1 . 2]" 1
1905 1 95 LYS HA 1 95 LYS QG . . 3.410 2.152 2.002 2.467 . 0 0 "[ . 1 . 2]" 1
1906 1 95 LYS QE 1 95 LYS QG . . 3.260 2.082 1.948 2.251 . 0 0 "[ . 1 . 2]" 1
1907 1 95 LYS QG 1 96 VAL H . . 4.350 3.240 2.900 3.798 . 0 0 "[ . 1 . 2]" 1
1908 1 96 VAL HA 1 97 ASP QB . . 4.730 4.401 4.207 4.652 . 0 0 "[ . 1 . 2]" 1
1909 1 97 ASP H 1 97 ASP QB . . 3.500 2.793 2.501 3.184 . 0 0 "[ . 1 . 2]" 1
1910 1 97 ASP QB 1 98 LEU H . . 3.240 2.871 2.692 2.970 . 0 0 "[ . 1 . 2]" 1
1911 1 100 GLU HA 1 100 GLU QG . . 3.420 2.541 2.077 3.340 . 0 0 "[ . 1 . 2]" 1
1912 1 101 LYS HA 1 101 LYS QG . . 3.370 2.665 2.165 3.357 . 0 0 "[ . 1 . 2]" 1
1913 1 101 LYS QB 1 101 LYS QD . . 3.340 2.071 1.941 2.231 . 0 0 "[ . 1 . 2]" 1
1914 1 101 LYS QB 1 102 TYR QD . . 4.350 3.282 2.336 3.934 . 0 0 "[ . 1 . 2]" 1
1915 1 101 LYS QB 1 102 TYR QE . . 5.340 3.800 2.967 4.886 . 0 0 "[ . 1 . 2]" 1
1916 1 101 LYS QE 1 101 LYS QG . . 3.190 2.098 1.953 2.355 . 0 0 "[ . 1 . 2]" 1
1917 1 101 LYS QG 1 102 TYR QD . . 4.420 2.704 1.868 4.089 . 0 0 "[ . 1 . 2]" 1
1918 1 101 LYS QG 1 102 TYR QE . . 4.120 2.834 2.107 3.602 . 0 0 "[ . 1 . 2]" 1
1919 1 101 LYS QD 1 102 TYR QD . . 5.340 3.865 1.942 4.808 . 0 0 "[ . 1 . 2]" 1
1920 1 101 LYS QD 1 102 TYR QE . . 4.200 3.416 1.966 4.182 . 0 0 "[ . 1 . 2]" 1
1921 1 101 LYS QE 1 102 TYR QE . . 4.850 3.307 2.040 4.850 0.000 12 0 "[ . 1 . 2]" 1
1922 1 102 TYR H 1 102 TYR QB . . 3.450 2.606 2.196 3.482 0.032 10 0 "[ . 1 . 2]" 1
1923 1 102 TYR QB 1 104 LYS H . . 4.030 3.245 2.777 3.611 . 0 0 "[ . 1 . 2]" 1
1924 1 102 TYR QB 1 105 LEU MD2 . . 3.610 3.035 1.788 3.593 . 0 0 "[ . 1 . 2]" 1
1925 1 103 LYS HA 1 103 LYS QG . . 3.680 2.406 2.089 3.341 . 0 0 "[ . 1 . 2]" 1
1926 1 103 LYS HA 1 103 LYS QD . . 4.590 3.607 2.233 4.270 . 0 0 "[ . 1 . 2]" 1
1927 1 103 LYS QB 1 104 LYS H . . 4.070 2.644 1.908 3.929 . 0 0 "[ . 1 . 2]" 1
1928 1 103 LYS QG 1 104 LYS H . . 4.790 3.980 2.352 4.538 . 0 0 "[ . 1 . 2]" 1
1929 1 104 LYS H 1 104 LYS QG . . 3.850 2.879 2.126 3.855 0.005 13 0 "[ . 1 . 2]" 1
1930 1 104 LYS QB 1 104 LYS QD . . 3.140 2.088 1.936 2.411 . 0 0 "[ . 1 . 2]" 1
1931 1 104 LYS QB 1 104 LYS QE . . 4.090 3.043 2.020 3.650 . 0 0 "[ . 1 . 2]" 1
1932 1 104 LYS QB 1 105 LEU H . . 3.540 2.629 2.132 3.548 0.008 5 0 "[ . 1 . 2]" 1
1933 1 104 LYS QE 1 104 LYS QG . . 3.250 2.112 1.955 2.350 . 0 0 "[ . 1 . 2]" 1
1934 1 104 LYS QG 1 105 LEU H . . 4.820 3.742 2.796 4.675 . 0 0 "[ . 1 . 2]" 1
1935 1 104 LYS QD 1 106 VAL QG . . 4.560 3.814 2.747 4.560 0.000 6 0 "[ . 1 . 2]" 1
1936 1 104 LYS QE 1 106 VAL QG . . 4.740 3.496 1.977 4.742 0.002 13 0 "[ . 1 . 2]" 1
1937 1 105 LEU HA 1 106 VAL QG . . 4.360 3.769 3.377 4.134 . 0 0 "[ . 1 . 2]" 1
1938 1 106 VAL H 1 106 VAL QG . . 3.520 2.378 1.856 2.737 . 0 0 "[ . 1 . 2]" 1
1939 1 106 VAL QG 1 107 SER HA . . 4.540 3.744 3.026 4.412 . 0 0 "[ . 1 . 2]" 1
1940 1 106 VAL QG 1 107 SER QB . . 4.850 3.709 2.690 4.528 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 14
_Distance_constraint_stats_list.Viol_count 262
_Distance_constraint_stats_list.Viol_total 694.825
_Distance_constraint_stats_list.Viol_max 0.272
_Distance_constraint_stats_list.Viol_rms 0.0765
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1241
_Distance_constraint_stats_list.Viol_average_violations_only 0.1326
_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 29 HIS 10.355 0.271 9 0 "[ . 1 . 2]"
1 31 SER 6.103 0.272 5 0 "[ . 1 . 2]"
1 55 ASN 2.889 0.185 11 0 "[ . 1 . 2]"
1 57 ILE 10.078 0.207 15 0 "[ . 1 . 2]"
1 59 MET 5.317 0.206 11 0 "[ . 1 . 2]"
1 64 GLN 5.317 0.206 11 0 "[ . 1 . 2]"
1 66 PHE 10.078 0.207 15 0 "[ . 1 . 2]"
1 68 GLU 2.889 0.185 11 0 "[ . 1 . 2]"
1 95 LYS 6.103 0.272 5 0 "[ . 1 . 2]"
1 97 ASP 10.355 0.271 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 57 ILE O 1 66 PHE H . . 1.800 1.984 1.894 2.004 0.204 19 0 "[ . 1 . 2]" 2
2 1 57 ILE O 1 66 PHE N . . 2.700 2.848 2.750 2.907 0.207 15 0 "[ . 1 . 2]" 2
3 1 57 ILE H 1 66 PHE O . . 1.800 1.965 1.801 2.003 0.203 17 0 "[ . 1 . 2]" 2
4 1 57 ILE N 1 66 PHE O . . 2.700 2.705 2.693 2.796 0.096 14 0 "[ . 1 . 2]" 2
5 1 29 HIS O 1 97 ASP H . . 1.800 1.961 1.854 2.014 0.214 19 0 "[ . 1 . 2]" 2
6 1 29 HIS O 1 97 ASP N . . 2.700 2.913 2.806 2.971 0.271 9 0 "[ . 1 . 2]" 2
7 1 29 HIS H 1 97 ASP O . . 1.800 1.901 1.833 1.986 0.186 3 0 "[ . 1 . 2]" 2
8 1 29 HIS N 1 97 ASP O . . 2.700 2.742 2.692 2.833 0.133 3 0 "[ . 1 . 2]" 2
9 1 31 SER H 1 95 LYS O . . 1.800 1.931 1.828 2.016 0.216 20 0 "[ . 1 . 2]" 2
10 1 31 SER N 1 95 LYS O . . 2.700 2.874 2.779 2.972 0.272 5 0 "[ . 1 . 2]" 2
11 1 55 ASN O 1 68 GLU H . . 1.800 1.889 1.802 1.985 0.185 11 0 "[ . 1 . 2]" 2
12 1 55 ASN O 1 68 GLU N . . 2.700 2.754 2.694 2.850 0.150 11 0 "[ . 1 . 2]" 2
13 1 59 MET H 1 64 GLN O . . 1.800 1.998 1.956 2.006 0.206 11 0 "[ . 1 . 2]" 2
14 1 59 MET N 1 64 GLN O . . 2.700 2.768 2.698 2.829 0.129 20 0 "[ . 1 . 2]" 2
stop_
save_
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