NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400173 |
1ujt   |
10102 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ujt
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 2320
_Distance_constraint_stats_list.Viol_count 886
_Distance_constraint_stats_list.Viol_total 296.260
_Distance_constraint_stats_list.Viol_max 0.172
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0167
_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 7 GLY 0.114 0.021 12 0 "[ . 1 . 2]"
1 8 ARG 0.300 0.089 20 0 "[ . 1 . 2]"
1 9 GLN 1.655 0.101 11 0 "[ . 1 . 2]"
1 10 VAL 2.539 0.172 20 0 "[ . 1 . 2]"
1 11 GLN 0.907 0.172 20 0 "[ . 1 . 2]"
1 12 LYS 0.176 0.028 17 0 "[ . 1 . 2]"
1 13 GLU 1.236 0.124 12 0 "[ . 1 . 2]"
1 14 LEU 0.661 0.060 12 0 "[ . 1 . 2]"
1 15 GLY 0.184 0.026 17 0 "[ . 1 . 2]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.064 0.012 14 0 "[ . 1 . 2]"
1 18 LEU 0.099 0.018 15 0 "[ . 1 . 2]"
1 19 VAL 0.158 0.066 16 0 "[ . 1 . 2]"
1 20 ARG 0.069 0.015 17 0 "[ . 1 . 2]"
1 21 LEU 0.150 0.025 10 0 "[ . 1 . 2]"
1 22 HIS 0.061 0.012 17 0 "[ . 1 . 2]"
1 23 ASN 0.117 0.033 7 0 "[ . 1 . 2]"
1 24 PRO 0.064 0.018 13 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.112 0.026 19 0 "[ . 1 . 2]"
1 27 LEU 1.782 0.131 7 0 "[ . 1 . 2]"
1 28 THR 0.061 0.027 9 0 "[ . 1 . 2]"
1 29 PRO 0.038 0.019 13 0 "[ . 1 . 2]"
1 30 THR 0.019 0.012 10 0 "[ . 1 . 2]"
1 31 THR 0.046 0.008 16 0 "[ . 1 . 2]"
1 32 VAL 0.043 0.010 15 0 "[ . 1 . 2]"
1 33 GLN 0.192 0.042 13 0 "[ . 1 . 2]"
1 34 VAL 0.070 0.042 13 0 "[ . 1 . 2]"
1 35 THR 0.034 0.010 13 0 "[ . 1 . 2]"
1 36 TRP 0.099 0.016 14 0 "[ . 1 . 2]"
1 37 THR 0.131 0.032 4 0 "[ . 1 . 2]"
1 38 VAL 0.097 0.032 4 0 "[ . 1 . 2]"
1 39 ASP 0.027 0.018 15 0 "[ . 1 . 2]"
1 40 ARG 0.103 0.018 18 0 "[ . 1 . 2]"
1 41 GLN 0.113 0.048 3 0 "[ . 1 . 2]"
1 42 PRO 0.100 0.048 3 0 "[ . 1 . 2]"
1 43 GLN 0.000 0.000 10 0 "[ . 1 . 2]"
1 44 PHE 1.156 0.124 12 0 "[ . 1 . 2]"
1 45 ILE 0.170 0.025 13 0 "[ . 1 . 2]"
1 46 GLN 0.192 0.025 13 0 "[ . 1 . 2]"
1 47 GLY 0.043 0.022 13 0 "[ . 1 . 2]"
1 48 TYR 0.092 0.016 15 0 "[ . 1 . 2]"
1 49 ARG 0.018 0.014 17 0 "[ . 1 . 2]"
1 50 VAL 0.062 0.012 17 0 "[ . 1 . 2]"
1 51 MET 0.062 0.016 18 0 "[ . 1 . 2]"
1 52 TYR 0.022 0.005 17 0 "[ . 1 . 2]"
1 53 ARG 0.023 0.009 2 0 "[ . 1 . 2]"
1 54 GLN 0.089 0.023 6 0 "[ . 1 . 2]"
1 55 THR 0.022 0.017 15 0 "[ . 1 . 2]"
1 56 SER 0.010 0.003 11 0 "[ . 1 . 2]"
1 57 GLY 0.008 0.003 11 0 "[ . 1 . 2]"
1 58 LEU 0.142 0.045 15 0 "[ . 1 . 2]"
1 59 GLN 0.020 0.014 18 0 "[ . 1 . 2]"
1 60 ALA 0.100 0.045 15 0 "[ . 1 . 2]"
1 61 THR 0.069 0.026 1 0 "[ . 1 . 2]"
1 62 SER 0.170 0.037 15 0 "[ . 1 . 2]"
1 63 SER 0.048 0.029 13 0 "[ . 1 . 2]"
1 64 TRP 0.230 0.036 13 0 "[ . 1 . 2]"
1 65 GLN 0.017 0.007 11 0 "[ . 1 . 2]"
1 66 ASN 0.115 0.026 16 0 "[ . 1 . 2]"
1 67 LEU 0.035 0.011 18 0 "[ . 1 . 2]"
1 68 ASP 0.022 0.011 18 0 "[ . 1 . 2]"
1 69 ALA 0.139 0.029 13 0 "[ . 1 . 2]"
1 70 LYS 0.089 0.021 4 0 "[ . 1 . 2]"
1 71 VAL 0.841 0.118 14 0 "[ . 1 . 2]"
1 72 PRO 0.007 0.004 14 0 "[ . 1 . 2]"
1 73 THR 0.064 0.042 14 0 "[ . 1 . 2]"
1 74 GLU 1.057 0.118 14 0 "[ . 1 . 2]"
1 75 ARG 0.308 0.055 4 0 "[ . 1 . 2]"
1 76 SER 0.173 0.055 4 0 "[ . 1 . 2]"
1 77 ALA 0.027 0.008 11 0 "[ . 1 . 2]"
1 78 VAL 0.023 0.007 11 0 "[ . 1 . 2]"
1 79 LEU 0.009 0.003 2 0 "[ . 1 . 2]"
1 80 VAL 0.018 0.008 10 0 "[ . 1 . 2]"
1 81 ASN 0.023 0.008 10 0 "[ . 1 . 2]"
1 82 LEU 0.025 0.007 11 0 "[ . 1 . 2]"
1 83 LYS 0.027 0.012 13 0 "[ . 1 . 2]"
1 84 LYS 0.061 0.022 10 0 "[ . 1 . 2]"
1 85 GLY 0.005 0.005 18 0 "[ . 1 . 2]"
1 86 VAL 0.048 0.012 13 0 "[ . 1 . 2]"
1 87 THR 0.046 0.015 15 0 "[ . 1 . 2]"
1 88 TYR 0.068 0.015 15 0 "[ . 1 . 2]"
1 89 GLU 0.041 0.017 15 0 "[ . 1 . 2]"
1 90 ILE 0.158 0.018 13 0 "[ . 1 . 2]"
1 91 LYS 0.218 0.019 13 0 "[ . 1 . 2]"
1 92 VAL 0.327 0.045 18 0 "[ . 1 . 2]"
1 93 ARG 0.464 0.082 18 0 "[ . 1 . 2]"
1 94 PRO 0.122 0.049 18 0 "[ . 1 . 2]"
1 95 TYR 0.179 0.033 2 0 "[ . 1 . 2]"
1 96 PHE 1.176 0.127 12 0 "[ . 1 . 2]"
1 97 ASN 0.703 0.111 8 0 "[ . 1 . 2]"
1 98 GLU 1.414 0.132 2 0 "[ . 1 . 2]"
1 99 PHE 1.451 0.127 12 0 "[ . 1 . 2]"
1 100 GLN 0.139 0.038 2 0 "[ . 1 . 2]"
1 101 GLY 0.119 0.032 14 0 "[ . 1 . 2]"
1 102 MET 0.503 0.126 19 0 "[ . 1 . 2]"
1 103 ASP 0.162 0.082 18 0 "[ . 1 . 2]"
1 104 SER 0.232 0.066 16 0 "[ . 1 . 2]"
1 105 GLU 0.124 0.022 6 0 "[ . 1 . 2]"
1 106 SER 0.120 0.022 6 0 "[ . 1 . 2]"
1 107 LYS 0.036 0.012 13 0 "[ . 1 . 2]"
1 108 THR 0.013 0.005 2 0 "[ . 1 . 2]"
1 109 VAL 0.009 0.004 16 0 "[ . 1 . 2]"
1 110 ARG 0.052 0.006 11 0 "[ . 1 . 2]"
1 111 THR 0.061 0.011 7 0 "[ . 1 . 2]"
1 112 THR 0.094 0.024 16 0 "[ . 1 . 2]"
1 113 GLU 0.130 0.067 19 0 "[ . 1 . 2]"
1 114 GLU 0.058 0.030 4 0 "[ . 1 . 2]"
1 115 SER 0.040 0.030 4 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 50 VAL H 1 68 ASP HA . . 4.140 3.820 3.513 4.100 . 0 0 "[ . 1 . 2]" 1
2 1 49 ARG HA 1 50 VAL H . . 3.160 2.173 2.140 2.285 . 0 0 "[ . 1 . 2]" 1
3 1 50 VAL H 1 50 VAL HB . . 3.490 2.530 2.451 2.594 . 0 0 "[ . 1 . 2]" 1
4 1 49 ARG HB3 1 50 VAL H . . 4.670 4.236 4.027 4.404 . 0 0 "[ . 1 . 2]" 1
5 1 50 VAL H 1 67 LEU HG . . 5.360 4.822 4.248 5.150 . 0 0 "[ . 1 . 2]" 1
6 1 49 ARG QG 1 50 VAL H . . 4.310 3.233 2.867 3.762 . 0 0 "[ . 1 . 2]" 1
7 1 50 VAL H 1 50 VAL MG1 . . 4.260 3.794 3.755 3.823 . 0 0 "[ . 1 . 2]" 1
8 1 26 VAL H 1 27 LEU H . . 5.230 4.294 3.948 4.499 . 0 0 "[ . 1 . 2]" 1
9 1 25 VAL HA 1 26 VAL H . . 2.820 2.154 2.140 2.173 . 0 0 "[ . 1 . 2]" 1
10 1 26 VAL H 1 26 VAL HB . . 3.070 2.859 2.568 3.036 . 0 0 "[ . 1 . 2]" 1
11 1 26 VAL H 1 26 VAL MG1 . . 3.880 1.952 1.870 2.074 . 0 0 "[ . 1 . 2]" 1
12 1 25 VAL MG1 1 26 VAL H . . 3.340 2.819 2.345 3.124 . 0 0 "[ . 1 . 2]" 1
13 1 72 PRO QD 1 73 THR H . . 4.220 2.748 2.618 2.966 . 0 0 "[ . 1 . 2]" 1
14 1 71 VAL HB 1 73 THR H . . 4.640 4.104 3.232 4.558 . 0 0 "[ . 1 . 2]" 1
15 1 14 LEU H 1 15 GLY H . . 3.620 3.262 2.974 3.434 . 0 0 "[ . 1 . 2]" 1
16 1 15 GLY H 1 16 ASP H . . 3.580 2.712 2.394 2.915 . 0 0 "[ . 1 . 2]" 1
17 1 13 GLU QB 1 15 GLY H . . 5.500 5.313 4.748 5.512 0.012 16 0 "[ . 1 . 2]" 1
18 1 14 LEU HB2 1 15 GLY H . . 4.140 3.670 3.528 3.979 . 0 0 "[ . 1 . 2]" 1
19 1 14 LEU HB3 1 15 GLY H . . 3.860 2.179 1.970 2.681 . 0 0 "[ . 1 . 2]" 1
20 1 72 PRO QG 1 73 THR H . . 3.880 2.876 2.524 3.301 . 0 0 "[ . 1 . 2]" 1
21 1 51 MET H 1 92 VAL HA . . 4.220 3.930 3.590 4.161 . 0 0 "[ . 1 . 2]" 1
22 1 50 VAL HA 1 51 MET H . . 3.130 2.221 2.146 2.285 . 0 0 "[ . 1 . 2]" 1
23 1 51 MET H 1 51 MET HG2 . . 4.220 3.828 2.694 4.147 . 0 0 "[ . 1 . 2]" 1
24 1 51 MET H 1 51 MET HG3 . . 4.220 2.983 2.535 3.757 . 0 0 "[ . 1 . 2]" 1
25 1 51 MET H 1 51 MET HB3 . . 4.180 3.537 3.481 3.604 . 0 0 "[ . 1 . 2]" 1
26 1 51 MET H 1 51 MET HB2 . . 3.780 2.264 2.179 2.380 . 0 0 "[ . 1 . 2]" 1
27 1 50 VAL MG2 1 51 MET H . . 4.390 4.229 4.183 4.271 . 0 0 "[ . 1 . 2]" 1
28 1 51 MET H 1 92 VAL MG2 . . 5.250 4.840 4.031 5.230 . 0 0 "[ . 1 . 2]" 1
29 1 33 GLN HA 1 34 VAL H . . 2.990 2.186 2.140 2.306 . 0 0 "[ . 1 . 2]" 1
30 1 33 GLN HB2 1 34 VAL H . . 4.490 4.247 3.857 4.467 . 0 0 "[ . 1 . 2]" 1
31 1 33 GLN H 1 34 VAL H . . 4.640 4.500 4.269 4.610 . 0 0 "[ . 1 . 2]" 1
32 1 27 LEU H 1 33 GLN H . . 3.870 3.018 2.764 3.335 . 0 0 "[ . 1 . 2]" 1
33 1 26 VAL HA 1 33 GLN H . . 4.260 3.408 2.956 3.701 . 0 0 "[ . 1 . 2]" 1
34 1 33 GLN H 1 33 GLN HB3 . . 3.680 2.652 2.372 2.847 . 0 0 "[ . 1 . 2]" 1
35 1 33 GLN H 1 33 GLN HB2 . . 3.680 2.613 2.369 3.113 . 0 0 "[ . 1 . 2]" 1
36 1 27 LEU HG 1 33 GLN H . . 4.000 2.897 2.492 4.024 0.024 12 0 "[ . 1 . 2]" 1
37 1 27 LEU MD1 1 33 GLN H . . 4.240 3.321 2.976 4.086 . 0 0 "[ . 1 . 2]" 1
38 1 32 VAL MG1 1 33 GLN H . . 3.470 2.212 1.901 2.506 . 0 0 "[ . 1 . 2]" 1
39 1 32 VAL H 1 79 LEU H . . 3.820 3.190 2.863 3.517 . 0 0 "[ . 1 . 2]" 1
40 1 78 VAL HA 1 79 LEU H . . 3.150 2.162 2.141 2.200 . 0 0 "[ . 1 . 2]" 1
41 1 79 LEU H 1 79 LEU HB3 . . 3.830 3.657 3.603 3.728 . 0 0 "[ . 1 . 2]" 1
42 1 79 LEU H 1 79 LEU HG . . 3.620 2.356 2.137 2.627 . 0 0 "[ . 1 . 2]" 1
43 1 78 VAL MG1 1 79 LEU H . . 4.790 2.780 2.142 3.214 . 0 0 "[ . 1 . 2]" 1
44 1 79 LEU H 1 80 VAL MG1 . . 5.300 4.433 4.130 4.619 . 0 0 "[ . 1 . 2]" 1
45 1 79 LEU H 1 79 LEU HB2 . . 3.830 2.587 2.526 2.629 . 0 0 "[ . 1 . 2]" 1
46 1 79 LEU H 1 82 LEU MD1 . . 4.840 3.971 3.680 4.200 . 0 0 "[ . 1 . 2]" 1
47 1 110 ARG H 1 111 THR H . . 4.560 4.296 4.208 4.404 . 0 0 "[ . 1 . 2]" 1
48 1 109 VAL H 1 110 ARG H . . 4.640 4.279 4.163 4.415 . 0 0 "[ . 1 . 2]" 1
49 1 109 VAL HA 1 110 ARG H . . 2.810 2.145 2.140 2.155 . 0 0 "[ . 1 . 2]" 1
50 1 110 ARG H 1 110 ARG HB3 . . 3.410 2.784 2.691 2.847 . 0 0 "[ . 1 . 2]" 1
51 1 110 ARG H 1 110 ARG HB2 . . 3.400 2.466 2.331 2.579 . 0 0 "[ . 1 . 2]" 1
52 1 109 VAL MG2 1 110 ARG H . . 3.190 2.704 2.433 3.048 . 0 0 "[ . 1 . 2]" 1
53 1 38 VAL MG1 1 39 ASP H . . 4.640 4.004 3.751 4.195 . 0 0 "[ . 1 . 2]" 1
54 1 38 VAL HA 1 39 ASP H . . 3.340 2.179 2.139 2.361 . 0 0 "[ . 1 . 2]" 1
55 1 96 PHE H 1 97 ASN H . . 4.420 2.568 2.299 2.757 . 0 0 "[ . 1 . 2]" 1
56 1 20 ARG HA 1 21 LEU H . . 3.010 2.177 2.141 2.257 . 0 0 "[ . 1 . 2]" 1
57 1 21 LEU H 1 21 LEU HB3 . . 3.340 2.636 2.205 2.902 . 0 0 "[ . 1 . 2]" 1
58 1 20 ARG QB 1 21 LEU H . . 4.040 3.679 3.312 4.021 . 0 0 "[ . 1 . 2]" 1
59 1 21 LEU H 1 21 LEU HB2 . . 3.420 2.571 2.170 2.994 . 0 0 "[ . 1 . 2]" 1
60 1 21 LEU H 1 21 LEU MD1 . . 4.560 4.102 3.742 4.366 . 0 0 "[ . 1 . 2]" 1
61 1 20 ARG H 1 38 VAL HA . . 4.000 3.405 3.223 3.651 . 0 0 "[ . 1 . 2]" 1
62 1 20 ARG H 1 37 THR H . . 3.700 2.926 2.553 3.458 . 0 0 "[ . 1 . 2]" 1
63 1 20 ARG H 1 36 TRP HA . . 5.030 4.792 4.413 5.037 0.007 13 0 "[ . 1 . 2]" 1
64 1 19 VAL HA 1 20 ARG H . . 3.000 2.170 2.140 2.257 . 0 0 "[ . 1 . 2]" 1
65 1 67 LEU HA 1 68 ASP H . . 3.230 2.204 2.173 2.236 . 0 0 "[ . 1 . 2]" 1
66 1 20 ARG H 1 36 TRP HB2 . . 4.560 3.806 3.336 4.362 . 0 0 "[ . 1 . 2]" 1
67 1 20 ARG H 1 20 ARG QB . . 3.360 2.383 2.204 2.698 . 0 0 "[ . 1 . 2]" 1
68 1 20 ARG H 1 37 THR MG . . 5.140 3.711 2.268 5.155 0.015 17 0 "[ . 1 . 2]" 1
69 1 20 ARG H 1 38 VAL MG1 . . 3.840 3.577 3.189 3.845 0.005 6 0 "[ . 1 . 2]" 1
70 1 97 ASN H 1 98 GLU H . . 4.730 2.449 2.260 2.682 . 0 0 "[ . 1 . 2]" 1
71 1 96 PHE QD 1 97 ASN H . . 5.040 3.095 2.451 3.744 . 0 0 "[ . 1 . 2]" 1
72 1 97 ASN H 1 99 PHE QE . . 5.170 3.493 3.269 3.657 . 0 0 "[ . 1 . 2]" 1
73 1 96 PHE QB 1 97 ASN H . . 4.220 2.074 1.897 2.371 . 0 0 "[ . 1 . 2]" 1
74 1 46 GLN QG 1 97 ASN H . . 4.930 4.860 4.655 4.944 0.014 13 0 "[ . 1 . 2]" 1
75 1 95 TYR QE 1 97 ASN H . . 5.330 5.001 4.779 5.312 . 0 0 "[ . 1 . 2]" 1
76 1 18 LEU HA 1 19 VAL H . . 3.370 2.199 2.140 2.347 . 0 0 "[ . 1 . 2]" 1
77 1 18 LEU HG 1 19 VAL H . . 5.480 3.743 2.564 5.326 . 0 0 "[ . 1 . 2]" 1
78 1 50 VAL H 1 67 LEU H . . 3.920 2.965 2.466 3.467 . 0 0 "[ . 1 . 2]" 1
79 1 52 TYR QD 1 67 LEU H . . 4.640 3.728 3.396 4.020 . 0 0 "[ . 1 . 2]" 1
80 1 66 ASN HA 1 67 LEU H . . 3.130 2.159 2.141 2.205 . 0 0 "[ . 1 . 2]" 1
81 1 51 MET HA 1 67 LEU H . . 4.560 3.502 3.149 3.831 . 0 0 "[ . 1 . 2]" 1
82 1 50 VAL HB 1 67 LEU H . . 3.580 3.276 2.920 3.574 . 0 0 "[ . 1 . 2]" 1
83 1 67 LEU H 1 67 LEU HB2 . . 4.150 2.981 2.739 3.232 . 0 0 "[ . 1 . 2]" 1
84 1 49 ARG QG 1 67 LEU H . . 4.730 3.425 3.110 3.897 . 0 0 "[ . 1 . 2]" 1
85 1 54 GLN H 1 88 TYR QE . . 4.360 3.177 2.894 3.960 . 0 0 "[ . 1 . 2]" 1
86 1 53 ARG HA 1 54 GLN H . . 3.220 2.429 2.324 2.561 . 0 0 "[ . 1 . 2]" 1
87 1 54 GLN H 1 54 GLN HG3 . . 4.500 4.359 4.210 4.523 0.023 6 0 "[ . 1 . 2]" 1
88 1 54 GLN H 1 54 GLN QB . . 3.120 2.264 2.166 2.368 . 0 0 "[ . 1 . 2]" 1
89 1 53 ARG HB2 1 54 GLN H . . 3.610 2.468 2.216 2.688 . 0 0 "[ . 1 . 2]" 1
90 1 53 ARG HG2 1 54 GLN H . . 4.930 4.622 4.401 4.842 . 0 0 "[ . 1 . 2]" 1
91 1 53 ARG HG3 1 54 GLN H . . 4.930 3.391 3.121 3.658 . 0 0 "[ . 1 . 2]" 1
92 1 46 GLN H 1 47 GLY H . . 3.420 2.110 1.908 2.549 . 0 0 "[ . 1 . 2]" 1
93 1 46 GLN H 1 96 PHE HA . . 3.670 2.195 1.943 2.508 . 0 0 "[ . 1 . 2]" 1
94 1 46 GLN H 1 96 PHE QB . . 4.220 3.955 3.673 4.182 . 0 0 "[ . 1 . 2]" 1
95 1 46 GLN H 1 46 GLN QG . . 4.310 3.191 2.895 3.475 . 0 0 "[ . 1 . 2]" 1
96 1 46 GLN H 1 46 GLN HB2 . . 3.670 2.341 2.227 2.622 . 0 0 "[ . 1 . 2]" 1
97 1 45 ILE HB 1 46 GLN H . . 4.310 4.116 3.874 4.307 . 0 0 "[ . 1 . 2]" 1
98 1 45 ILE MD 1 46 GLN H . . 4.610 3.953 3.588 4.307 . 0 0 "[ . 1 . 2]" 1
99 1 89 GLU HA 1 90 ILE H . . 3.060 2.149 2.138 2.184 . 0 0 "[ . 1 . 2]" 1
100 1 89 GLU QG 1 90 ILE H . . 3.780 2.880 2.582 3.192 . 0 0 "[ . 1 . 2]" 1
101 1 89 GLU QB 1 90 ILE H . . 4.100 3.784 3.631 3.906 . 0 0 "[ . 1 . 2]" 1
102 1 90 ILE H 1 90 ILE HB . . 3.490 2.839 2.683 2.971 . 0 0 "[ . 1 . 2]" 1
103 1 90 ILE H 1 90 ILE MG . . 4.030 3.932 3.870 3.982 . 0 0 "[ . 1 . 2]" 1
104 1 90 ILE H 1 108 THR HA . . 3.970 3.565 3.387 3.753 . 0 0 "[ . 1 . 2]" 1
105 1 90 ILE H 1 106 SER HA . . 4.640 4.344 4.012 4.640 0.000 10 0 "[ . 1 . 2]" 1
106 1 45 ILE MD 1 47 GLY H . . 4.520 3.524 3.346 3.841 . 0 0 "[ . 1 . 2]" 1
107 1 47 GLY H 1 96 PHE HA . . 5.120 3.894 3.533 4.717 . 0 0 "[ . 1 . 2]" 1
108 1 46 GLN HB2 1 47 GLY H . . 4.420 3.067 2.779 4.115 . 0 0 "[ . 1 . 2]" 1
109 1 46 GLN HB3 1 47 GLY H . . 5.020 3.598 3.235 4.452 . 0 0 "[ . 1 . 2]" 1
110 1 49 ARG H 1 92 VAL MG1 . . 4.560 4.299 3.807 4.535 . 0 0 "[ . 1 . 2]" 1
111 1 48 TYR HB3 1 49 ARG H . . 4.100 3.409 2.983 3.733 . 0 0 "[ . 1 . 2]" 1
112 1 49 ARG H 1 49 ARG HB3 . . 3.820 2.719 2.483 2.835 . 0 0 "[ . 1 . 2]" 1
113 1 49 ARG H 1 49 ARG QG . . 4.310 4.047 3.977 4.147 . 0 0 "[ . 1 . 2]" 1
114 1 48 TYR HB2 1 49 ARG H . . 4.640 4.345 4.109 4.484 . 0 0 "[ . 1 . 2]" 1
115 1 49 ARG H 1 49 ARG HB2 . . 3.870 2.562 2.391 2.710 . 0 0 "[ . 1 . 2]" 1
116 1 48 TYR HB3 1 93 ARG H . . 4.730 4.302 4.046 4.703 . 0 0 "[ . 1 . 2]" 1
117 1 92 VAL HB 1 93 ARG H . . 4.840 4.035 3.763 4.353 . 0 0 "[ . 1 . 2]" 1
118 1 49 ARG H 1 93 ARG H . . 4.100 3.765 3.328 4.086 . 0 0 "[ . 1 . 2]" 1
119 1 92 VAL HA 1 93 ARG H . . 3.070 2.203 2.141 2.294 . 0 0 "[ . 1 . 2]" 1
120 1 50 VAL HA 1 93 ARG H . . 4.310 4.031 3.478 4.319 0.009 20 0 "[ . 1 . 2]" 1
121 1 93 ARG H 1 93 ARG HG2 . . 4.260 2.752 2.163 4.330 0.070 18 0 "[ . 1 . 2]" 1
122 1 93 ARG H 1 93 ARG HG3 . . 4.260 3.289 2.486 4.265 0.005 6 0 "[ . 1 . 2]" 1
123 1 92 VAL MG2 1 93 ARG H . . 4.260 3.929 3.816 4.068 . 0 0 "[ . 1 . 2]" 1
124 1 92 VAL MG1 1 93 ARG H . . 3.670 2.261 1.878 2.707 . 0 0 "[ . 1 . 2]" 1
125 1 64 TRP H 1 65 GLN H . . 4.960 4.613 4.576 4.634 . 0 0 "[ . 1 . 2]" 1
126 1 64 TRP HE3 1 65 GLN H . . 4.220 2.609 2.342 2.981 . 0 0 "[ . 1 . 2]" 1
127 1 64 TRP HA 1 65 GLN H . . 3.040 2.287 2.208 2.498 . 0 0 "[ . 1 . 2]" 1
128 1 64 TRP HB3 1 65 GLN H . . 3.890 2.844 2.288 3.070 . 0 0 "[ . 1 . 2]" 1
129 1 64 TRP HB2 1 65 GLN H . . 4.220 4.100 3.737 4.227 0.007 11 0 "[ . 1 . 2]" 1
130 1 65 GLN H 1 65 GLN QG . . 3.620 3.024 2.639 3.385 . 0 0 "[ . 1 . 2]" 1
131 1 65 GLN H 1 65 GLN HB3 . . 3.970 3.669 3.510 3.789 . 0 0 "[ . 1 . 2]" 1
132 1 65 GLN H 1 65 GLN HB2 . . 3.590 2.488 2.281 2.662 . 0 0 "[ . 1 . 2]" 1
133 1 22 HIS H 1 23 ASN H . . 5.500 4.011 3.004 4.631 . 0 0 "[ . 1 . 2]" 1
134 1 22 HIS H 1 36 TRP HA . . 3.610 2.730 1.989 3.120 . 0 0 "[ . 1 . 2]" 1
135 1 21 LEU HA 1 22 HIS H . . 3.040 2.173 2.139 2.321 . 0 0 "[ . 1 . 2]" 1
136 1 22 HIS H 1 22 HIS QB . . 3.230 2.487 2.253 2.703 . 0 0 "[ . 1 . 2]" 1
137 1 22 HIS H 1 36 TRP HB2 . . 4.700 4.427 3.601 4.670 . 0 0 "[ . 1 . 2]" 1
138 1 21 LEU HB2 1 22 HIS H . . 4.700 4.437 4.119 4.651 . 0 0 "[ . 1 . 2]" 1
139 1 53 ARG HA 1 65 GLN H . . 4.560 4.074 3.809 4.508 . 0 0 "[ . 1 . 2]" 1
140 1 53 ARG HB3 1 65 GLN H . . 4.310 2.847 2.630 3.278 . 0 0 "[ . 1 . 2]" 1
141 1 73 THR MG 1 74 GLU H . . 4.490 4.167 3.935 4.314 . 0 0 "[ . 1 . 2]" 1
142 1 74 GLU H 1 75 ARG H . . 4.640 4.320 4.099 4.574 . 0 0 "[ . 1 . 2]" 1
143 1 73 THR H 1 74 GLU H . . 3.370 2.455 2.045 2.962 . 0 0 "[ . 1 . 2]" 1
144 1 48 TYR QE 1 74 GLU H . . 4.580 4.294 3.688 4.587 0.007 14 0 "[ . 1 . 2]" 1
145 1 73 THR HB 1 74 GLU H . . 4.840 4.258 3.849 4.523 . 0 0 "[ . 1 . 2]" 1
146 1 74 GLU H 1 74 GLU HB2 . . 3.610 2.386 2.157 2.695 . 0 0 "[ . 1 . 2]" 1
147 1 74 GLU H 1 74 GLU HB3 . . 3.610 3.573 3.455 3.703 0.093 13 0 "[ . 1 . 2]" 1
148 1 71 VAL MG2 1 74 GLU H . . 4.490 3.726 2.525 4.538 0.048 9 0 "[ . 1 . 2]" 1
149 1 88 TYR H 1 88 TYR QD . . 3.940 3.554 3.333 3.805 . 0 0 "[ . 1 . 2]" 1
150 1 88 TYR H 1 110 ARG HA . . 3.950 3.683 3.477 3.945 . 0 0 "[ . 1 . 2]" 1
151 1 87 THR HA 1 88 TYR H . . 2.990 2.256 2.176 2.407 . 0 0 "[ . 1 . 2]" 1
152 1 88 TYR H 1 110 ARG HB2 . . 5.500 5.333 5.118 5.499 . 0 0 "[ . 1 . 2]" 1
153 1 88 TYR H 1 90 ILE MD . . 5.500 4.275 3.911 5.011 . 0 0 "[ . 1 . 2]" 1
154 1 77 ALA H 1 78 VAL H . . 4.840 4.406 4.144 4.546 . 0 0 "[ . 1 . 2]" 1
155 1 76 SER H 1 77 ALA H . . 4.580 4.220 3.796 4.465 . 0 0 "[ . 1 . 2]" 1
156 1 36 TRP HZ3 1 77 ALA H . . 3.850 2.614 1.947 3.588 . 0 0 "[ . 1 . 2]" 1
157 1 76 SER HA 1 77 ALA H . . 3.070 2.232 2.138 2.451 . 0 0 "[ . 1 . 2]" 1
158 1 76 SER QB 1 77 ALA H . . 3.490 3.053 2.390 3.493 0.003 15 0 "[ . 1 . 2]" 1
159 1 34 VAL HB 1 77 ALA H . . 3.840 2.777 2.331 3.305 . 0 0 "[ . 1 . 2]" 1
160 1 103 ASP H 1 103 ASP HB2 . . 3.970 3.466 2.676 3.676 . 0 0 "[ . 1 . 2]" 1
161 1 36 TRP HE1 1 75 ARG HA . . 3.640 2.821 2.074 3.268 . 0 0 "[ . 1 . 2]" 1
162 1 36 TRP HE1 1 38 VAL MG1 . . 3.840 3.308 2.950 3.620 . 0 0 "[ . 1 . 2]" 1
163 1 19 VAL MG1 1 36 TRP HE1 . . 4.560 3.917 3.511 4.362 . 0 0 "[ . 1 . 2]" 1
164 1 97 ASN HB3 1 98 GLU H . . 3.370 2.646 1.892 3.073 . 0 0 "[ . 1 . 2]" 1
165 1 98 GLU H 1 98 GLU HB2 . . 4.010 3.730 3.346 3.849 . 0 0 "[ . 1 . 2]" 1
166 1 98 GLU H 1 98 GLU HG3 . . 4.560 3.356 1.964 4.429 . 0 0 "[ . 1 . 2]" 1
167 1 98 GLU H 1 99 PHE H . . 3.820 1.943 1.793 2.124 . 0 0 "[ . 1 . 2]" 1
168 1 99 PHE H 1 100 GLN H . . 4.640 4.616 4.589 4.632 . 0 0 "[ . 1 . 2]" 1
169 1 96 PHE QB 1 99 PHE H . . 4.930 4.527 4.156 4.879 . 0 0 "[ . 1 . 2]" 1
170 1 97 ASN HB3 1 99 PHE H . . 4.890 4.476 3.662 4.909 0.019 1 0 "[ . 1 . 2]" 1
171 1 98 GLU HB2 1 99 PHE H . . 4.920 3.767 3.347 4.173 . 0 0 "[ . 1 . 2]" 1
172 1 98 GLU HB3 1 99 PHE H . . 5.500 3.776 2.703 4.018 . 0 0 "[ . 1 . 2]" 1
173 1 99 PHE H 1 99 PHE HB2 . . 3.650 3.542 3.484 3.579 . 0 0 "[ . 1 . 2]" 1
174 1 99 PHE H 1 99 PHE HB3 . . 3.920 2.895 2.776 3.094 . 0 0 "[ . 1 . 2]" 1
175 1 31 THR HA 1 32 VAL H . . 3.040 2.221 2.153 2.334 . 0 0 "[ . 1 . 2]" 1
176 1 32 VAL H 1 80 VAL HA . . 4.430 4.076 3.723 4.373 . 0 0 "[ . 1 . 2]" 1
177 1 32 VAL H 1 32 VAL HB . . 3.490 2.755 2.615 2.927 . 0 0 "[ . 1 . 2]" 1
178 1 32 VAL H 1 80 VAL MG1 . . 5.240 4.460 4.086 4.911 . 0 0 "[ . 1 . 2]" 1
179 1 31 THR H 1 32 VAL H . . 4.730 4.298 4.154 4.424 . 0 0 "[ . 1 . 2]" 1
180 1 59 GLN HB3 1 60 ALA H . . 4.490 4.244 3.925 4.462 . 0 0 "[ . 1 . 2]" 1
181 1 58 LEU H 1 60 ALA H . . 4.220 3.728 3.342 4.265 0.045 15 0 "[ . 1 . 2]" 1
182 1 59 GLN H 1 60 ALA H . . 3.670 2.799 2.629 3.086 . 0 0 "[ . 1 . 2]" 1
183 1 59 GLN HA 1 60 ALA H . . 3.430 3.153 2.859 3.444 0.014 18 0 "[ . 1 . 2]" 1
184 1 59 GLN HB2 1 60 ALA H . . 4.490 3.713 3.045 4.213 . 0 0 "[ . 1 . 2]" 1
185 1 58 LEU HB3 1 60 ALA H . . 4.640 4.517 4.255 4.661 0.021 8 0 "[ . 1 . 2]" 1
186 1 60 ALA H 1 60 ALA MB . . 3.050 2.149 2.029 2.249 . 0 0 "[ . 1 . 2]" 1
187 1 54 GLN HA 1 89 GLU H . . 4.310 3.960 3.572 4.307 . 0 0 "[ . 1 . 2]" 1
188 1 89 GLU H 1 90 ILE H . . 4.700 4.433 4.305 4.532 . 0 0 "[ . 1 . 2]" 1
189 1 88 TYR QD 1 89 GLU H . . 4.220 3.671 3.420 4.069 . 0 0 "[ . 1 . 2]" 1
190 1 88 TYR HA 1 89 GLU H . . 3.090 2.151 2.140 2.178 . 0 0 "[ . 1 . 2]" 1
191 1 89 GLU H 1 89 GLU QG . . 4.560 4.011 3.973 4.060 . 0 0 "[ . 1 . 2]" 1
192 1 89 GLU H 1 89 GLU QB . . 3.520 2.335 2.253 2.367 . 0 0 "[ . 1 . 2]" 1
193 1 55 THR MG 1 89 GLU H . . 3.890 2.548 2.199 2.842 . 0 0 "[ . 1 . 2]" 1
194 1 89 GLU H 1 109 VAL MG1 . . 4.640 4.598 4.515 4.644 0.004 16 0 "[ . 1 . 2]" 1
195 1 22 HIS QB 1 23 ASN H . . 3.870 2.351 1.858 2.894 . 0 0 "[ . 1 . 2]" 1
196 1 23 ASN H 1 23 ASN HB2 . . 4.180 3.067 2.206 4.090 . 0 0 "[ . 1 . 2]" 1
197 1 23 ASN H 1 23 ASN HB3 . . 4.180 3.192 2.372 3.897 . 0 0 "[ . 1 . 2]" 1
198 1 55 THR H 1 89 GLU H . . 4.560 4.373 3.935 4.577 0.017 15 0 "[ . 1 . 2]" 1
199 1 70 LYS H 1 70 LYS HB3 . . 4.140 4.068 3.958 4.105 . 0 0 "[ . 1 . 2]" 1
200 1 70 LYS H 1 70 LYS QG . . 3.520 2.868 2.471 3.370 . 0 0 "[ . 1 . 2]" 1
201 1 63 SER HA 1 64 TRP H . . 2.870 2.156 2.137 2.236 . 0 0 "[ . 1 . 2]" 1
202 1 47 GLY HA3 1 70 LYS H . . 3.990 3.535 3.044 3.991 0.001 9 0 "[ . 1 . 2]" 1
203 1 64 TRP H 1 64 TRP HB3 . . 3.670 3.492 3.477 3.520 . 0 0 "[ . 1 . 2]" 1
204 1 64 TRP H 1 64 TRP HB2 . . 3.340 2.189 2.171 2.234 . 0 0 "[ . 1 . 2]" 1
205 1 84 LYS H 1 85 GLY H . . 4.840 4.480 4.399 4.562 . 0 0 "[ . 1 . 2]" 1
206 1 83 LYS HA 1 84 LYS H . . 2.820 2.299 2.198 2.497 . 0 0 "[ . 1 . 2]" 1
207 1 83 LYS QB 1 84 LYS H . . 3.500 3.066 2.204 3.479 . 0 0 "[ . 1 . 2]" 1
208 1 84 LYS H 1 84 LYS QG . . 3.440 2.464 1.999 3.374 . 0 0 "[ . 1 . 2]" 1
209 1 112 THR MG 1 114 GLU H . . 4.730 3.962 3.083 4.734 0.004 19 0 "[ . 1 . 2]" 1
210 1 113 GLU QG 1 114 GLU H . . 4.340 3.732 2.168 4.327 . 0 0 "[ . 1 . 2]" 1
211 1 114 GLU H 1 114 GLU QG . . 4.560 3.491 1.968 4.234 . 0 0 "[ . 1 . 2]" 1
212 1 113 GLU HB2 1 114 GLU H . . 4.140 3.057 2.347 3.926 . 0 0 "[ . 1 . 2]" 1
213 1 25 VAL H 1 33 GLN H . . 5.170 4.848 4.544 5.159 . 0 0 "[ . 1 . 2]" 1
214 1 25 VAL H 1 26 VAL H . . 4.640 4.424 4.334 4.554 . 0 0 "[ . 1 . 2]" 1
215 1 25 VAL H 1 32 VAL MG1 . . 4.560 4.083 3.778 4.251 . 0 0 "[ . 1 . 2]" 1
216 1 69 ALA H 1 70 LYS H . . 4.640 2.574 2.283 2.865 . 0 0 "[ . 1 . 2]" 1
217 1 70 LYS H 1 70 LYS HB2 . . 4.140 3.451 3.306 3.711 . 0 0 "[ . 1 . 2]" 1
218 1 90 ILE H 1 91 LYS H . . 4.700 4.409 4.343 4.462 . 0 0 "[ . 1 . 2]" 1
219 1 90 ILE HA 1 91 LYS H . . 3.050 2.240 2.224 2.280 . 0 0 "[ . 1 . 2]" 1
220 1 51 MET HB3 1 91 LYS H . . 5.030 4.543 3.882 5.037 0.007 9 0 "[ . 1 . 2]" 1
221 1 90 ILE HB 1 91 LYS H . . 4.490 3.798 3.671 3.906 . 0 0 "[ . 1 . 2]" 1
222 1 51 MET HB2 1 91 LYS H . . 4.560 3.759 3.094 4.236 . 0 0 "[ . 1 . 2]" 1
223 1 90 ILE MG 1 91 LYS H . . 3.210 1.928 1.873 2.223 . 0 0 "[ . 1 . 2]" 1
224 1 91 LYS H 1 91 LYS QG . . 4.100 2.773 2.128 3.485 . 0 0 "[ . 1 . 2]" 1
225 1 91 LYS H 1 91 LYS HE3 . . 5.120 3.988 3.416 4.504 . 0 0 "[ . 1 . 2]" 1
226 1 40 ARG HA 1 41 GLN H . . 2.880 2.285 2.155 2.386 . 0 0 "[ . 1 . 2]" 1
227 1 25 VAL H 1 25 VAL HB . . 3.500 2.615 2.513 2.698 . 0 0 "[ . 1 . 2]" 1
228 1 41 GLN H 1 41 GLN HB3 . . 3.880 2.568 2.359 2.873 . 0 0 "[ . 1 . 2]" 1
229 1 24 PRO HA 1 25 VAL H . . 3.050 2.353 2.241 2.408 . 0 0 "[ . 1 . 2]" 1
230 1 25 VAL H 1 25 VAL MG1 . . 3.920 3.765 3.759 3.770 . 0 0 "[ . 1 . 2]" 1
231 1 105 GLU HA 1 106 SER H . . 2.720 2.167 2.138 2.205 . 0 0 "[ . 1 . 2]" 1
232 1 106 SER H 1 106 SER HB2 . . 3.700 3.404 2.432 3.621 . 0 0 "[ . 1 . 2]" 1
233 1 106 SER H 1 106 SER HB3 . . 3.700 2.772 2.365 3.599 . 0 0 "[ . 1 . 2]" 1
234 1 105 GLU QB 1 106 SER H . . 3.640 3.471 2.985 3.662 0.022 6 0 "[ . 1 . 2]" 1
235 1 41 GLN H 1 42 PRO HD3 . . 4.640 4.479 4.093 4.688 0.048 3 0 "[ . 1 . 2]" 1
236 1 74 GLU HA 1 75 ARG H . . 3.000 2.158 2.139 2.264 . 0 0 "[ . 1 . 2]" 1
237 1 74 GLU QG 1 75 ARG H . . 4.220 4.036 3.687 4.253 0.033 5 0 "[ . 1 . 2]" 1
238 1 38 VAL H 1 38 VAL MG2 . . 3.920 2.105 1.943 2.288 . 0 0 "[ . 1 . 2]" 1
239 1 75 ARG H 1 76 SER QB . . 4.730 4.150 3.506 4.391 . 0 0 "[ . 1 . 2]" 1
240 1 44 PHE QE 1 96 PHE H . . 5.200 4.683 4.157 5.230 0.030 14 0 "[ . 1 . 2]" 1
241 1 95 TYR HA 1 96 PHE H . . 3.200 2.255 2.197 2.331 . 0 0 "[ . 1 . 2]" 1
242 1 96 PHE H 1 100 GLN HA . . 4.430 4.038 3.782 4.327 . 0 0 "[ . 1 . 2]" 1
243 1 96 PHE H 1 99 PHE HB2 . . 5.120 5.156 5.086 5.247 0.127 12 0 "[ . 1 . 2]" 1
244 1 95 TYR HB2 1 96 PHE H . . 3.400 2.953 2.736 3.122 . 0 0 "[ . 1 . 2]" 1
245 1 96 PHE H 1 96 PHE QB . . 3.580 2.357 2.311 2.399 . 0 0 "[ . 1 . 2]" 1
246 1 95 TYR HB3 1 96 PHE H . . 4.420 4.172 4.044 4.264 . 0 0 "[ . 1 . 2]" 1
247 1 9 GLN H 1 10 VAL H . . 3.580 2.667 2.460 2.782 . 0 0 "[ . 1 . 2]" 1
248 1 9 GLN H 1 9 GLN QG . . 4.270 3.725 1.902 4.016 . 0 0 "[ . 1 . 2]" 1
249 1 9 GLN H 1 9 GLN QB . . 3.210 2.314 2.203 2.595 . 0 0 "[ . 1 . 2]" 1
250 1 8 ARG QB 1 9 GLN H . . 3.760 2.619 2.169 3.512 . 0 0 "[ . 1 . 2]" 1
251 1 9 GLN H 1 10 VAL HB . . 5.500 4.790 4.519 5.302 . 0 0 "[ . 1 . 2]" 1
252 1 12 LYS H 1 14 LEU H . . 4.730 3.422 3.029 4.236 . 0 0 "[ . 1 . 2]" 1
253 1 9 GLN H 1 12 LYS H . . 5.500 5.435 4.980 5.528 0.028 17 0 "[ . 1 . 2]" 1
254 1 10 VAL HB 1 12 LYS H . . 5.500 5.020 4.294 5.495 . 0 0 "[ . 1 . 2]" 1
255 1 12 LYS H 1 12 LYS QD . . 5.500 4.454 4.075 4.805 . 0 0 "[ . 1 . 2]" 1
256 1 12 LYS H 1 14 LEU HB3 . . 5.500 4.337 3.943 5.172 . 0 0 "[ . 1 . 2]" 1
257 1 12 LYS H 1 13 GLU H . . 3.410 2.198 1.796 2.580 . 0 0 "[ . 1 . 2]" 1
258 1 10 VAL H 1 12 LYS H . . 4.180 3.852 3.716 4.118 . 0 0 "[ . 1 . 2]" 1
259 1 9 GLN HA 1 12 LYS H . . 3.870 3.347 2.607 3.703 . 0 0 "[ . 1 . 2]" 1
260 1 12 LYS H 1 13 GLU QB . . 4.140 3.987 3.738 4.143 0.003 13 0 "[ . 1 . 2]" 1
261 1 12 LYS H 1 12 LYS QB . . 2.900 2.425 2.270 2.547 . 0 0 "[ . 1 . 2]" 1
262 1 88 TYR H 1 109 VAL H . . 3.670 2.433 2.213 2.571 . 0 0 "[ . 1 . 2]" 1
263 1 108 THR HA 1 109 VAL H . . 2.880 2.166 2.145 2.196 . 0 0 "[ . 1 . 2]" 1
264 1 89 GLU HA 1 109 VAL H . . 3.820 3.696 3.513 3.818 . 0 0 "[ . 1 . 2]" 1
265 1 109 VAL H 1 109 VAL HB . . 4.030 3.023 2.880 3.123 . 0 0 "[ . 1 . 2]" 1
266 1 109 VAL H 1 109 VAL MG1 . . 3.340 1.948 1.876 2.141 . 0 0 "[ . 1 . 2]" 1
267 1 90 ILE MD 1 109 VAL H . . 4.640 3.401 3.081 4.264 . 0 0 "[ . 1 . 2]" 1
268 1 37 THR H 1 38 VAL H . . 4.730 4.425 4.298 4.540 . 0 0 "[ . 1 . 2]" 1
269 1 38 VAL H 1 39 ASP H . . 4.840 4.335 4.072 4.489 . 0 0 "[ . 1 . 2]" 1
270 1 37 THR HA 1 38 VAL H . . 2.870 2.283 2.150 2.449 . 0 0 "[ . 1 . 2]" 1
271 1 37 THR MG 1 38 VAL H . . 3.820 3.601 3.273 3.829 0.009 17 0 "[ . 1 . 2]" 1
272 1 38 VAL H 1 38 VAL MG1 . . 3.620 2.838 2.538 3.091 . 0 0 "[ . 1 . 2]" 1
273 1 106 SER H 1 107 LYS H . . 4.640 4.452 4.307 4.612 . 0 0 "[ . 1 . 2]" 1
274 1 106 SER HA 1 107 LYS H . . 2.960 2.150 2.137 2.209 . 0 0 "[ . 1 . 2]" 1
275 1 89 GLU HA 1 107 LYS H . . 4.930 4.724 4.363 4.919 . 0 0 "[ . 1 . 2]" 1
276 1 91 LYS HA 1 107 LYS H . . 4.730 3.630 3.330 3.839 . 0 0 "[ . 1 . 2]" 1
277 1 89 GLU QG 1 107 LYS H . . 4.640 3.956 3.561 4.270 . 0 0 "[ . 1 . 2]" 1
278 1 107 LYS H 1 107 LYS HB2 . . 4.100 2.474 2.360 2.713 . 0 0 "[ . 1 . 2]" 1
279 1 91 LYS HB3 1 107 LYS H . . 4.310 4.001 3.534 4.321 0.011 12 0 "[ . 1 . 2]" 1
280 1 107 LYS H 1 107 LYS HB3 . . 4.100 3.664 3.606 3.792 . 0 0 "[ . 1 . 2]" 1
281 1 43 GLN H 1 44 PHE H . . 4.220 2.411 2.246 2.591 . 0 0 "[ . 1 . 2]" 1
282 1 42 PRO HA 1 43 GLN H . . 3.470 2.187 2.152 2.253 . 0 0 "[ . 1 . 2]" 1
283 1 43 GLN H 1 43 GLN HB2 . . 4.000 2.464 2.224 3.628 . 0 0 "[ . 1 . 2]" 1
284 1 57 GLY H 1 58 LEU H . . 4.610 4.496 4.334 4.574 . 0 0 "[ . 1 . 2]" 1
285 1 58 LEU H 1 59 GLN H . . 3.760 2.455 2.205 2.882 . 0 0 "[ . 1 . 2]" 1
286 1 57 GLY HA3 1 58 LEU H . . 3.380 2.294 2.138 2.546 . 0 0 "[ . 1 . 2]" 1
287 1 58 LEU H 1 58 LEU HB2 . . 3.090 2.418 2.134 2.626 . 0 0 "[ . 1 . 2]" 1
288 1 58 LEU H 1 58 LEU HB3 . . 3.550 2.779 2.617 2.959 . 0 0 "[ . 1 . 2]" 1
289 1 58 LEU H 1 58 LEU MD2 . . 4.060 3.827 3.399 4.018 . 0 0 "[ . 1 . 2]" 1
290 1 57 GLY HA2 1 58 LEU H . . 3.380 2.912 2.581 3.232 . 0 0 "[ . 1 . 2]" 1
291 1 7 GLY H 1 8 ARG H . . 4.220 2.797 1.992 3.932 . 0 0 "[ . 1 . 2]" 1
292 1 8 ARG H 1 9 GLN H . . 3.720 2.343 2.078 2.787 . 0 0 "[ . 1 . 2]" 1
293 1 8 ARG H 1 8 ARG QB . . 3.170 2.386 2.166 2.933 . 0 0 "[ . 1 . 2]" 1
294 1 10 VAL H 1 11 GLN H . . 3.490 2.849 2.587 3.256 . 0 0 "[ . 1 . 2]" 1
295 1 9 GLN HA 1 10 VAL H . . 3.480 3.201 3.053 3.417 . 0 0 "[ . 1 . 2]" 1
296 1 9 GLN QG 1 10 VAL H . . 4.640 4.044 2.796 4.419 . 0 0 "[ . 1 . 2]" 1
297 1 9 GLN QB 1 10 VAL H . . 3.760 3.539 3.074 3.841 0.081 7 0 "[ . 1 . 2]" 1
298 1 8 ARG QB 1 10 VAL H . . 4.560 4.302 4.015 4.587 0.027 7 0 "[ . 1 . 2]" 1
299 1 10 VAL H 1 10 VAL HB . . 3.210 2.573 2.356 2.843 . 0 0 "[ . 1 . 2]" 1
300 1 14 LEU MD1 1 100 GLN H . . 5.500 4.264 3.616 4.706 . 0 0 "[ . 1 . 2]" 1
301 1 14 LEU MD2 1 100 GLN H . . 5.500 3.809 3.248 4.295 . 0 0 "[ . 1 . 2]" 1
302 1 99 PHE HA 1 100 GLN H . . 3.030 2.402 2.315 2.581 . 0 0 "[ . 1 . 2]" 1
303 1 99 PHE HB2 1 100 GLN H . . 4.060 2.470 2.065 2.681 . 0 0 "[ . 1 . 2]" 1
304 1 99 PHE HB3 1 100 GLN H . . 3.680 3.546 3.354 3.707 0.027 16 0 "[ . 1 . 2]" 1
305 1 100 GLN H 1 100 GLN HG2 . . 4.030 3.048 2.088 4.038 0.008 14 0 "[ . 1 . 2]" 1
306 1 100 GLN H 1 100 GLN HG3 . . 4.030 3.162 1.938 4.012 . 0 0 "[ . 1 . 2]" 1
307 1 100 GLN H 1 100 GLN HB2 . . 4.110 3.645 2.645 3.965 . 0 0 "[ . 1 . 2]" 1
308 1 100 GLN H 1 100 GLN HB3 . . 4.110 3.351 2.989 3.910 . 0 0 "[ . 1 . 2]" 1
309 1 78 VAL H 1 79 LEU H . . 5.410 4.213 3.963 4.535 . 0 0 "[ . 1 . 2]" 1
310 1 77 ALA HA 1 78 VAL H . . 2.930 2.369 2.144 2.581 . 0 0 "[ . 1 . 2]" 1
311 1 83 LYS H 1 83 LYS QB . . 3.280 2.257 2.177 2.322 . 0 0 "[ . 1 . 2]" 1
312 1 78 VAL H 1 78 VAL MG2 . . 3.920 2.804 2.470 3.073 . 0 0 "[ . 1 . 2]" 1
313 1 28 THR HB 1 30 THR H . . 4.080 2.229 2.163 2.273 . 0 0 "[ . 1 . 2]" 1
314 1 29 PRO HD3 1 30 THR H . . 4.310 4.029 3.953 4.066 . 0 0 "[ . 1 . 2]" 1
315 1 29 PRO HD2 1 30 THR H . . 4.260 3.002 2.856 3.073 . 0 0 "[ . 1 . 2]" 1
316 1 29 PRO HB3 1 30 THR H . . 4.650 4.491 4.419 4.521 . 0 0 "[ . 1 . 2]" 1
317 1 30 THR H 1 30 THR MG . . 3.450 3.062 2.967 3.202 . 0 0 "[ . 1 . 2]" 1
318 1 113 GLU H 1 113 GLU QG . . 3.820 2.909 2.004 3.887 0.067 19 0 "[ . 1 . 2]" 1
319 1 112 THR HA 1 113 GLU H . . 2.920 2.442 2.270 2.544 . 0 0 "[ . 1 . 2]" 1
320 1 113 GLU H 1 113 GLU HB2 . . 3.870 2.947 2.197 3.833 . 0 0 "[ . 1 . 2]" 1
321 1 113 GLU H 1 113 GLU HB3 . . 3.870 3.294 2.320 3.808 . 0 0 "[ . 1 . 2]" 1
322 1 104 SER HA 1 105 GLU H . . 3.080 2.467 2.265 2.569 . 0 0 "[ . 1 . 2]" 1
323 1 104 SER HB2 1 105 GLU H . . 3.840 3.115 2.102 3.843 0.003 2 0 "[ . 1 . 2]" 1
324 1 104 SER HB3 1 105 GLU H . . 3.840 3.247 2.171 3.835 . 0 0 "[ . 1 . 2]" 1
325 1 105 GLU H 1 105 GLU QB . . 3.160 2.519 2.340 2.667 . 0 0 "[ . 1 . 2]" 1
326 1 21 LEU HB3 1 105 GLU H . . 4.640 3.976 3.328 4.565 . 0 0 "[ . 1 . 2]" 1
327 1 82 LEU MD2 1 83 LYS H . . 4.000 3.376 3.128 3.534 . 0 0 "[ . 1 . 2]" 1
328 1 82 LEU HA 1 83 LYS H . . 3.270 2.396 2.261 2.492 . 0 0 "[ . 1 . 2]" 1
329 1 82 LEU HB3 1 83 LYS H . . 3.680 2.443 2.222 2.788 . 0 0 "[ . 1 . 2]" 1
330 1 82 LEU HB2 1 83 LYS H . . 3.890 3.595 3.357 3.845 . 0 0 "[ . 1 . 2]" 1
331 1 13 GLU H 1 14 LEU H . . 3.500 2.349 1.876 2.647 . 0 0 "[ . 1 . 2]" 1
332 1 11 GLN HA 1 14 LEU H . . 4.490 4.110 3.515 4.408 . 0 0 "[ . 1 . 2]" 1
333 1 13 GLU QB 1 14 LEU H . . 3.700 2.686 2.511 3.002 . 0 0 "[ . 1 . 2]" 1
334 1 14 LEU H 1 14 LEU HB2 . . 3.390 2.549 2.464 2.707 . 0 0 "[ . 1 . 2]" 1
335 1 14 LEU H 1 14 LEU HB3 . . 3.300 2.547 2.315 2.643 . 0 0 "[ . 1 . 2]" 1
336 1 36 TRP H 1 37 THR H . . 4.840 4.338 4.213 4.398 . 0 0 "[ . 1 . 2]" 1
337 1 36 TRP H 1 36 TRP HE3 . . 3.970 3.352 3.000 3.767 . 0 0 "[ . 1 . 2]" 1
338 1 35 THR HA 1 36 TRP H . . 3.050 2.264 2.189 2.328 . 0 0 "[ . 1 . 2]" 1
339 1 35 THR HB 1 36 TRP H . . 3.800 3.746 3.581 3.804 0.004 18 0 "[ . 1 . 2]" 1
340 1 36 TRP H 1 76 SER QB . . 4.730 4.046 3.227 4.683 . 0 0 "[ . 1 . 2]" 1
341 1 35 THR MG 1 36 TRP H . . 3.580 2.064 1.872 2.438 . 0 0 "[ . 1 . 2]" 1
342 1 36 TRP H 1 36 TRP HB2 . . 4.100 3.976 3.911 4.044 . 0 0 "[ . 1 . 2]" 1
343 1 102 MET H 1 103 ASP H . . 5.500 4.535 4.354 4.649 . 0 0 "[ . 1 . 2]" 1
344 1 102 MET H 1 102 MET HB3 . . 3.940 3.268 2.437 3.802 . 0 0 "[ . 1 . 2]" 1
345 1 8 ARG HA 1 11 GLN H . . 4.880 4.747 3.988 4.926 0.046 3 0 "[ . 1 . 2]" 1
346 1 9 GLN HA 1 11 GLN H . . 5.500 4.188 3.657 4.990 . 0 0 "[ . 1 . 2]" 1
347 1 11 GLN H 1 11 GLN QG . . 3.680 2.710 2.108 3.172 . 0 0 "[ . 1 . 2]" 1
348 1 10 VAL MG1 1 11 GLN H . . 4.540 2.176 1.735 3.175 . 0 0 "[ . 1 . 2]" 1
349 1 10 VAL MG2 1 11 GLN H . . 4.540 3.553 3.363 3.727 . 0 0 "[ . 1 . 2]" 1
350 1 11 GLN H 1 11 GLN HB3 . . 3.660 3.558 3.486 3.630 . 0 0 "[ . 1 . 2]" 1
351 1 13 GLU H 1 13 GLU QB . . 3.320 2.260 2.154 2.534 . 0 0 "[ . 1 . 2]" 1
352 1 12 LYS QB 1 13 GLU H . . 3.420 2.565 2.028 3.427 0.007 13 0 "[ . 1 . 2]" 1
353 1 10 VAL HA 1 13 GLU H . . 4.640 3.915 3.423 4.405 . 0 0 "[ . 1 . 2]" 1
354 1 91 LYS HA 1 92 VAL H . . 3.310 2.264 2.143 2.643 . 0 0 "[ . 1 . 2]" 1
355 1 92 VAL H 1 92 VAL HB . . 3.680 2.560 2.418 2.885 . 0 0 "[ . 1 . 2]" 1
356 1 21 LEU MD2 1 92 VAL H . . 4.260 2.901 1.884 4.279 0.019 10 0 "[ . 1 . 2]" 1
357 1 91 LYS QG 1 92 VAL H . . 4.490 3.900 3.239 4.390 . 0 0 "[ . 1 . 2]" 1
358 1 92 VAL H 1 92 VAL MG2 . . 4.030 2.580 2.249 3.154 . 0 0 "[ . 1 . 2]" 1
359 1 92 VAL H 1 92 VAL MG1 . . 4.490 3.809 3.748 3.950 . 0 0 "[ . 1 . 2]" 1
360 1 63 SER H 1 64 TRP H . . 4.430 4.109 3.873 4.459 0.029 13 0 "[ . 1 . 2]" 1
361 1 16 ASP H 1 17 VAL H . . 3.780 3.045 2.500 3.327 . 0 0 "[ . 1 . 2]" 1
362 1 51 MET HG3 1 52 TYR H . . 5.030 4.833 4.415 5.033 0.003 17 0 "[ . 1 . 2]" 1
363 1 52 TYR H 1 65 GLN HB2 . . 4.640 3.057 2.637 3.514 . 0 0 "[ . 1 . 2]" 1
364 1 52 TYR H 1 64 TRP HZ3 . . 4.560 3.476 2.998 3.772 . 0 0 "[ . 1 . 2]" 1
365 1 52 TYR H 1 66 ASN HA . . 4.310 3.722 3.329 4.108 . 0 0 "[ . 1 . 2]" 1
366 1 51 MET HA 1 52 TYR H . . 3.090 2.226 2.145 2.447 . 0 0 "[ . 1 . 2]" 1
367 1 52 TYR H 1 52 TYR HB3 . . 4.180 3.361 3.238 3.520 . 0 0 "[ . 1 . 2]" 1
368 1 51 MET HG2 1 52 TYR H . . 5.030 3.874 3.397 4.477 . 0 0 "[ . 1 . 2]" 1
369 1 51 MET HB3 1 52 TYR H . . 4.140 3.030 2.330 3.428 . 0 0 "[ . 1 . 2]" 1
370 1 51 MET HB2 1 52 TYR H . . 4.430 4.166 3.610 4.403 . 0 0 "[ . 1 . 2]" 1
371 1 35 THR H 1 36 TRP H . . 4.730 4.421 4.321 4.481 . 0 0 "[ . 1 . 2]" 1
372 1 34 VAL HA 1 35 THR H . . 2.960 2.170 2.139 2.265 . 0 0 "[ . 1 . 2]" 1
373 1 35 THR H 1 35 THR HB . . 3.940 2.847 2.681 3.011 . 0 0 "[ . 1 . 2]" 1
374 1 22 HIS QB 1 35 THR H . . 4.860 4.263 3.586 4.858 . 0 0 "[ . 1 . 2]" 1
375 1 35 THR H 1 35 THR HG1 . . 5.080 3.531 2.652 4.267 . 0 0 "[ . 1 . 2]" 1
376 1 34 VAL HB 1 35 THR H . . 4.220 4.091 3.823 4.217 . 0 0 "[ . 1 . 2]" 1
377 1 30 THR HB 1 82 LEU H . . 3.640 3.326 2.923 3.641 0.001 5 0 "[ . 1 . 2]" 1
378 1 81 ASN H 1 82 LEU H . . 3.740 2.796 2.639 2.970 . 0 0 "[ . 1 . 2]" 1
379 1 80 VAL HA 1 82 LEU H . . 4.310 3.757 3.388 3.900 . 0 0 "[ . 1 . 2]" 1
380 1 30 THR HA 1 82 LEU H . . 3.890 2.945 2.613 3.287 . 0 0 "[ . 1 . 2]" 1
381 1 82 LEU H 1 82 LEU HB3 . . 3.920 3.687 3.620 3.719 . 0 0 "[ . 1 . 2]" 1
382 1 82 LEU H 1 82 LEU HB2 . . 3.280 2.522 2.405 2.588 . 0 0 "[ . 1 . 2]" 1
383 1 82 LEU H 1 82 LEU HG . . 3.280 2.726 2.550 2.866 . 0 0 "[ . 1 . 2]" 1
384 1 80 VAL MG1 1 82 LEU H . . 5.500 5.359 5.115 5.497 . 0 0 "[ . 1 . 2]" 1
385 1 80 VAL MG2 1 82 LEU H . . 5.500 5.115 4.745 5.336 . 0 0 "[ . 1 . 2]" 1
386 1 82 LEU H 1 82 LEU MD1 . . 4.060 3.819 3.594 3.957 . 0 0 "[ . 1 . 2]" 1
387 1 61 THR HA 1 62 SER H . . 3.030 2.888 2.792 2.992 . 0 0 "[ . 1 . 2]" 1
388 1 114 GLU HA 1 115 SER H . . 3.240 2.312 2.139 2.814 . 0 0 "[ . 1 . 2]" 1
389 1 115 SER H 1 115 SER QB . . 3.720 2.492 2.249 3.000 . 0 0 "[ . 1 . 2]" 1
390 1 114 GLU QG 1 115 SER H . . 4.730 3.479 2.255 4.667 . 0 0 "[ . 1 . 2]" 1
391 1 114 GLU HB2 1 115 SER H . . 4.560 4.135 2.325 4.535 . 0 0 "[ . 1 . 2]" 1
392 1 114 GLU HB3 1 115 SER H . . 4.560 3.926 2.673 4.469 . 0 0 "[ . 1 . 2]" 1
393 1 111 THR H 1 112 THR H . . 4.370 4.320 4.273 4.340 . 0 0 "[ . 1 . 2]" 1
394 1 85 GLY H 1 111 THR H . . 4.840 4.415 4.060 4.652 . 0 0 "[ . 1 . 2]" 1
395 1 88 TYR QD 1 111 THR H . . 4.640 3.873 3.699 4.091 . 0 0 "[ . 1 . 2]" 1
396 1 111 THR H 1 111 THR HG1 . . 4.430 2.671 1.899 3.565 . 0 0 "[ . 1 . 2]" 1
397 1 110 ARG HA 1 111 THR H . . 3.050 2.157 2.140 2.184 . 0 0 "[ . 1 . 2]" 1
398 1 87 THR HA 1 111 THR H . . 4.030 3.209 2.957 3.421 . 0 0 "[ . 1 . 2]" 1
399 1 86 VAL HA 1 111 THR H . . 4.930 4.744 4.528 4.925 . 0 0 "[ . 1 . 2]" 1
400 1 110 ARG HB3 1 111 THR H . . 4.370 4.208 4.123 4.272 . 0 0 "[ . 1 . 2]" 1
401 1 110 ARG HG2 1 111 THR H . . 3.820 3.470 3.033 3.812 . 0 0 "[ . 1 . 2]" 1
402 1 110 ARG HG3 1 111 THR H . . 4.140 4.049 3.794 4.143 0.003 13 0 "[ . 1 . 2]" 1
403 1 111 THR H 1 111 THR MG . . 3.400 2.446 2.242 2.640 . 0 0 "[ . 1 . 2]" 1
404 1 109 VAL MG1 1 111 THR H . . 4.940 4.105 3.716 4.378 . 0 0 "[ . 1 . 2]" 1
405 1 109 VAL MG2 1 111 THR H . . 5.260 4.021 3.739 4.356 . 0 0 "[ . 1 . 2]" 1
406 1 39 ASP H 1 40 ARG H . . 3.520 2.715 2.304 2.974 . 0 0 "[ . 1 . 2]" 1
407 1 40 ARG H 1 41 GLN H . . 4.570 3.835 3.473 4.490 . 0 0 "[ . 1 . 2]" 1
408 1 39 ASP QB 1 40 ARG H . . 3.700 2.483 2.137 3.298 . 0 0 "[ . 1 . 2]" 1
409 1 40 ARG H 1 40 ARG QB . . 3.540 2.580 2.446 3.028 . 0 0 "[ . 1 . 2]" 1
410 1 40 ARG H 1 40 ARG HG2 . . 4.410 3.945 2.060 4.416 0.006 11 0 "[ . 1 . 2]" 1
411 1 38 VAL HA 1 40 ARG H . . 4.490 4.187 3.691 4.494 0.004 11 0 "[ . 1 . 2]" 1
412 1 38 VAL HB 1 40 ARG H . . 4.100 3.312 3.012 3.534 . 0 0 "[ . 1 . 2]" 1
413 1 70 LYS QG 1 71 VAL H . . 4.730 4.576 4.418 4.751 0.021 4 0 "[ . 1 . 2]" 1
414 1 70 LYS H 1 71 VAL H . . 3.640 2.684 2.532 2.839 . 0 0 "[ . 1 . 2]" 1
415 1 71 VAL H 1 72 PRO QD . . 4.260 3.606 3.439 3.740 . 0 0 "[ . 1 . 2]" 1
416 1 47 GLY HA3 1 71 VAL H . . 4.840 3.160 2.743 3.799 . 0 0 "[ . 1 . 2]" 1
417 1 47 GLY HA2 1 71 VAL H . . 4.730 3.297 2.924 3.653 . 0 0 "[ . 1 . 2]" 1
418 1 48 TYR HB2 1 71 VAL H . . 5.120 4.922 4.547 5.125 0.005 17 0 "[ . 1 . 2]" 1
419 1 71 VAL H 1 71 VAL HB . . 3.610 3.259 2.889 3.676 0.066 13 0 "[ . 1 . 2]" 1
420 1 70 LYS HB2 1 71 VAL H . . 4.660 4.147 4.038 4.282 . 0 0 "[ . 1 . 2]" 1
421 1 69 ALA MB 1 71 VAL H . . 4.100 2.631 2.426 2.862 . 0 0 "[ . 1 . 2]" 1
422 1 44 PHE H 1 45 ILE H . . 3.800 2.735 2.565 2.834 . 0 0 "[ . 1 . 2]" 1
423 1 44 PHE HA 1 45 ILE H . . 3.560 3.520 3.485 3.542 . 0 0 "[ . 1 . 2]" 1
424 1 44 PHE HB3 1 45 ILE H . . 4.430 3.902 3.738 4.120 . 0 0 "[ . 1 . 2]" 1
425 1 45 ILE H 1 45 ILE HB . . 3.470 2.275 2.245 2.333 . 0 0 "[ . 1 . 2]" 1
426 1 45 ILE H 1 45 ILE HG13 . . 4.280 4.126 4.069 4.198 . 0 0 "[ . 1 . 2]" 1
427 1 45 ILE H 1 45 ILE MG . . 3.590 2.709 2.544 2.802 . 0 0 "[ . 1 . 2]" 1
428 1 93 ARG HA 1 104 SER H . . 4.490 3.754 3.309 4.183 . 0 0 "[ . 1 . 2]" 1
429 1 91 LYS HB2 1 104 SER H . . 4.310 3.518 2.987 4.201 . 0 0 "[ . 1 . 2]" 1
430 1 92 VAL H 1 104 SER H . . 4.040 3.475 2.756 3.848 . 0 0 "[ . 1 . 2]" 1
431 1 103 ASP HA 1 104 SER H . . 3.020 2.177 2.139 2.294 . 0 0 "[ . 1 . 2]" 1
432 1 104 SER H 1 104 SER HB2 . . 3.780 2.940 2.199 3.630 . 0 0 "[ . 1 . 2]" 1
433 1 104 SER H 1 104 SER HB3 . . 3.780 2.867 2.304 3.652 . 0 0 "[ . 1 . 2]" 1
434 1 103 ASP HB2 1 104 SER H . . 4.310 3.349 2.863 4.129 . 0 0 "[ . 1 . 2]" 1
435 1 103 ASP HB3 1 104 SER H . . 4.310 3.988 3.389 4.317 0.007 12 0 "[ . 1 . 2]" 1
436 1 19 VAL HB 1 104 SER H . . 4.580 3.919 3.290 4.544 . 0 0 "[ . 1 . 2]" 1
437 1 19 VAL MG2 1 104 SER H . . 5.370 4.623 3.708 5.338 . 0 0 "[ . 1 . 2]" 1
438 1 19 VAL MG1 1 104 SER H . . 4.940 4.058 3.393 4.889 . 0 0 "[ . 1 . 2]" 1
439 1 91 LYS QG 1 104 SER H . . 5.360 4.460 3.386 5.310 . 0 0 "[ . 1 . 2]" 1
440 1 54 GLN HE22 1 59 GLN H . . 4.730 3.059 1.932 3.963 . 0 0 "[ . 1 . 2]" 1
441 1 59 GLN H 1 59 GLN HB2 . . 4.030 2.392 2.243 2.623 . 0 0 "[ . 1 . 2]" 1
442 1 59 GLN H 1 59 GLN HB3 . . 4.030 3.577 3.529 3.623 . 0 0 "[ . 1 . 2]" 1
443 1 58 LEU HB3 1 59 GLN H . . 3.860 2.376 1.966 2.590 . 0 0 "[ . 1 . 2]" 1
444 1 53 ARG H 1 88 TYR QD . . 3.760 2.929 2.644 3.261 . 0 0 "[ . 1 . 2]" 1
445 1 52 TYR HA 1 53 ARG H . . 3.170 2.320 2.243 2.398 . 0 0 "[ . 1 . 2]" 1
446 1 52 TYR HB2 1 53 ARG H . . 3.760 2.653 2.440 2.869 . 0 0 "[ . 1 . 2]" 1
447 1 53 ARG H 1 89 GLU QB . . 4.370 4.035 3.799 4.340 . 0 0 "[ . 1 . 2]" 1
448 1 53 ARG H 1 55 THR MG . . 5.480 5.006 4.650 5.406 . 0 0 "[ . 1 . 2]" 1
449 1 53 ARG H 1 53 ARG HG2 . . 4.180 3.248 3.070 3.353 . 0 0 "[ . 1 . 2]" 1
450 1 53 ARG H 1 64 TRP HE3 . . 4.700 4.355 4.105 4.498 . 0 0 "[ . 1 . 2]" 1
451 1 52 TYR QD 1 53 ARG H . . 4.220 3.711 3.396 3.984 . 0 0 "[ . 1 . 2]" 1
452 1 53 ARG H 1 90 ILE HA . . 4.430 4.199 3.749 4.439 0.009 2 0 "[ . 1 . 2]" 1
453 1 53 ARG H 1 88 TYR HA . . 4.730 4.410 4.196 4.735 0.005 9 0 "[ . 1 . 2]" 1
454 1 52 TYR HB3 1 53 ARG H . . 4.030 3.910 3.735 4.023 . 0 0 "[ . 1 . 2]" 1
455 1 53 ARG H 1 53 ARG HG3 . . 4.180 3.252 3.072 3.412 . 0 0 "[ . 1 . 2]" 1
456 1 87 THR H 1 88 TYR H . . 5.030 4.595 4.556 4.629 . 0 0 "[ . 1 . 2]" 1
457 1 87 THR H 1 111 THR H . . 5.460 4.811 4.575 5.006 . 0 0 "[ . 1 . 2]" 1
458 1 86 VAL HA 1 87 THR H . . 3.040 2.256 2.197 2.346 . 0 0 "[ . 1 . 2]" 1
459 1 87 THR H 1 87 THR HB . . 3.440 2.782 2.666 2.876 . 0 0 "[ . 1 . 2]" 1
460 1 87 THR H 1 87 THR MG . . 4.060 3.767 3.720 3.794 . 0 0 "[ . 1 . 2]" 1
461 1 86 VAL MG1 1 87 THR H . . 4.070 3.683 3.311 3.929 . 0 0 "[ . 1 . 2]" 1
462 1 55 THR H 1 56 SER H . . 3.090 2.146 1.799 2.477 . 0 0 "[ . 1 . 2]" 1
463 1 56 SER H 1 87 THR H . . 4.180 4.003 3.629 4.181 0.001 13 0 "[ . 1 . 2]" 1
464 1 55 THR HB 1 56 SER H . . 4.140 3.673 3.365 4.064 . 0 0 "[ . 1 . 2]" 1
465 1 56 SER H 1 60 ALA HA . . 5.120 4.409 3.975 5.029 . 0 0 "[ . 1 . 2]" 1
466 1 54 GLN HG2 1 56 SER H . . 3.540 2.503 2.107 2.980 . 0 0 "[ . 1 . 2]" 1
467 1 54 GLN QB 1 56 SER H . . 4.480 4.165 3.845 4.319 . 0 0 "[ . 1 . 2]" 1
468 1 56 SER H 1 60 ALA MB . . 4.000 3.089 2.780 3.549 . 0 0 "[ . 1 . 2]" 1
469 1 55 THR MG 1 56 SER H . . 4.180 3.918 3.792 4.053 . 0 0 "[ . 1 . 2]" 1
470 1 48 TYR H 1 69 ALA H . . 4.240 3.296 2.836 3.756 . 0 0 "[ . 1 . 2]" 1
471 1 48 TYR H 1 70 LYS H . . 4.840 3.286 2.920 3.610 . 0 0 "[ . 1 . 2]" 1
472 1 48 TYR H 1 70 LYS HA . . 4.930 4.652 4.179 4.944 0.014 18 0 "[ . 1 . 2]" 1
473 1 47 GLY HA3 1 48 TYR H . . 3.350 2.224 2.141 2.439 . 0 0 "[ . 1 . 2]" 1
474 1 48 TYR H 1 48 TYR HB2 . . 3.870 2.817 2.665 2.976 . 0 0 "[ . 1 . 2]" 1
475 1 48 TYR H 1 48 TYR QD . . 4.060 3.598 3.038 3.940 . 0 0 "[ . 1 . 2]" 1
476 1 47 GLY HA2 1 48 TYR H . . 3.420 3.012 2.693 3.197 . 0 0 "[ . 1 . 2]" 1
477 1 48 TYR H 1 48 TYR HB3 . . 4.100 3.852 3.760 3.940 . 0 0 "[ . 1 . 2]" 1
478 1 49 ARG H 1 95 TYR H . . 4.840 3.707 3.055 4.667 . 0 0 "[ . 1 . 2]" 1
479 1 95 TYR H 1 96 PHE H . . 4.730 4.445 4.167 4.546 . 0 0 "[ . 1 . 2]" 1
480 1 46 GLN H 1 95 TYR H . . 5.310 4.697 4.046 5.148 . 0 0 "[ . 1 . 2]" 1
481 1 48 TYR H 1 95 TYR H . . 5.500 5.202 4.765 5.506 0.006 12 0 "[ . 1 . 2]" 1
482 1 95 TYR H 1 95 TYR QD . . 3.670 2.930 2.489 3.576 . 0 0 "[ . 1 . 2]" 1
483 1 47 GLY H 1 95 TYR H . . 4.360 4.117 3.661 4.382 0.022 13 0 "[ . 1 . 2]" 1
484 1 94 PRO HA 1 95 TYR H . . 3.210 2.220 2.152 2.384 . 0 0 "[ . 1 . 2]" 1
485 1 94 PRO HB3 1 95 TYR H . . 4.470 4.095 3.475 4.364 . 0 0 "[ . 1 . 2]" 1
486 1 94 PRO HB2 1 95 TYR H . . 4.000 3.641 2.654 4.033 0.033 2 0 "[ . 1 . 2]" 1
487 1 45 ILE MD 1 95 TYR H . . 3.820 2.883 2.136 3.497 . 0 0 "[ . 1 . 2]" 1
488 1 30 THR HB 1 81 ASN H . . 4.100 3.727 3.416 4.015 . 0 0 "[ . 1 . 2]" 1
489 1 80 VAL HA 1 81 ASN H . . 3.330 2.527 2.369 2.655 . 0 0 "[ . 1 . 2]" 1
490 1 80 VAL HB 1 81 ASN H . . 3.260 2.143 1.900 2.466 . 0 0 "[ . 1 . 2]" 1
491 1 65 GLN H 1 66 ASN H . . 4.730 4.485 4.402 4.545 . 0 0 "[ . 1 . 2]" 1
492 1 52 TYR QE 1 66 ASN H . . 4.730 3.559 3.037 4.028 . 0 0 "[ . 1 . 2]" 1
493 1 65 GLN HA 1 66 ASN H . . 3.010 2.492 2.350 2.630 . 0 0 "[ . 1 . 2]" 1
494 1 66 ASN H 1 66 ASN HB2 . . 3.920 3.481 2.942 3.891 . 0 0 "[ . 1 . 2]" 1
495 1 66 ASN H 1 66 ASN HB3 . . 3.920 3.760 3.556 3.946 0.026 16 0 "[ . 1 . 2]" 1
496 1 65 GLN QG 1 66 ASN H . . 3.940 3.709 3.251 3.943 0.003 15 0 "[ . 1 . 2]" 1
497 1 65 GLN HB3 1 66 ASN H . . 3.310 2.251 1.973 2.561 . 0 0 "[ . 1 . 2]" 1
498 1 65 GLN HB2 1 66 ASN H . . 3.740 3.569 3.374 3.741 0.001 16 0 "[ . 1 . 2]" 1
499 1 66 ASN H 1 67 LEU H . . 4.840 4.177 4.005 4.305 . 0 0 "[ . 1 . 2]" 1
500 1 86 VAL H 1 111 THR H . . 3.800 2.978 2.657 3.279 . 0 0 "[ . 1 . 2]" 1
501 1 86 VAL H 1 87 THR H . . 4.490 4.252 4.189 4.346 . 0 0 "[ . 1 . 2]" 1
502 1 85 GLY H 1 86 VAL H . . 3.410 2.616 2.380 2.861 . 0 0 "[ . 1 . 2]" 1
503 1 86 VAL H 1 88 TYR QD . . 5.150 4.713 4.496 4.952 . 0 0 "[ . 1 . 2]" 1
504 1 86 VAL H 1 111 THR HG1 . . 3.540 2.203 1.902 2.515 . 0 0 "[ . 1 . 2]" 1
505 1 86 VAL H 1 111 THR HB . . 4.640 4.095 3.674 4.447 . 0 0 "[ . 1 . 2]" 1
506 1 86 VAL H 1 86 VAL HB . . 3.680 3.486 3.361 3.584 . 0 0 "[ . 1 . 2]" 1
507 1 83 LYS QB 1 86 VAL H . . 5.050 4.930 4.515 5.055 0.005 10 0 "[ . 1 . 2]" 1
508 1 86 VAL H 1 110 ARG HG2 . . 4.730 4.189 3.524 4.628 . 0 0 "[ . 1 . 2]" 1
509 1 86 VAL H 1 111 THR MG . . 4.260 3.916 3.576 4.230 . 0 0 "[ . 1 . 2]" 1
510 1 86 VAL H 1 86 VAL MG2 . . 4.250 4.023 3.971 4.067 . 0 0 "[ . 1 . 2]" 1
511 1 55 THR H 1 88 TYR QD . . 4.730 4.613 4.371 4.729 . 0 0 "[ . 1 . 2]" 1
512 1 55 THR H 1 88 TYR HA . . 3.670 3.360 3.092 3.571 . 0 0 "[ . 1 . 2]" 1
513 1 54 GLN HA 1 55 THR H . . 3.010 2.264 2.179 2.356 . 0 0 "[ . 1 . 2]" 1
514 1 54 GLN HG3 1 55 THR H . . 3.940 2.911 2.592 3.290 . 0 0 "[ . 1 . 2]" 1
515 1 54 GLN QB 1 55 THR H . . 3.970 3.415 3.180 3.577 . 0 0 "[ . 1 . 2]" 1
516 1 55 THR H 1 55 THR MG . . 3.500 2.739 2.462 3.112 . 0 0 "[ . 1 . 2]" 1
517 1 55 THR H 1 86 VAL MG1 . . 5.190 4.487 3.853 4.971 . 0 0 "[ . 1 . 2]" 1
518 1 60 ALA H 1 61 THR H . . 4.850 4.600 4.548 4.639 . 0 0 "[ . 1 . 2]" 1
519 1 61 THR H 1 61 THR HB . . 3.760 2.897 2.754 3.012 . 0 0 "[ . 1 . 2]" 1
520 1 60 ALA HA 1 61 THR H . . 2.810 2.251 2.158 2.483 . 0 0 "[ . 1 . 2]" 1
521 1 54 GLN QB 1 61 THR H . . 4.430 3.898 3.376 4.156 . 0 0 "[ . 1 . 2]" 1
522 1 60 ALA MB 1 61 THR H . . 3.120 2.799 2.318 3.086 . 0 0 "[ . 1 . 2]" 1
523 1 80 VAL MG2 1 81 ASN HD22 . . 3.970 2.929 2.387 3.692 . 0 0 "[ . 1 . 2]" 1
524 1 96 PHE QE 1 97 ASN HD21 . . 4.770 3.991 2.880 4.778 0.008 1 0 "[ . 1 . 2]" 1
525 1 23 ASN HB2 1 23 ASN HD22 . . 4.060 3.757 3.434 4.093 0.033 7 0 "[ . 1 . 2]" 1
526 1 23 ASN HB3 1 23 ASN HD22 . . 4.060 3.689 3.447 4.029 . 0 0 "[ . 1 . 2]" 1
527 1 49 ARG QG 1 66 ASN HD21 . . 5.500 3.973 2.930 5.147 . 0 0 "[ . 1 . 2]" 1
528 1 49 ARG QG 1 66 ASN HD22 . . 5.500 5.071 4.490 5.498 . 0 0 "[ . 1 . 2]" 1
529 1 85 GLY H 1 111 THR HG1 . . 3.670 2.723 2.025 3.543 . 0 0 "[ . 1 . 2]" 1
530 1 85 GLY H 1 111 THR HB . . 4.260 3.096 2.722 3.509 . 0 0 "[ . 1 . 2]" 1
531 1 84 LYS HA 1 85 GLY H . . 3.150 2.173 2.148 2.236 . 0 0 "[ . 1 . 2]" 1
532 1 84 LYS HB2 1 85 GLY H . . 4.490 3.751 3.106 4.235 . 0 0 "[ . 1 . 2]" 1
533 1 84 LYS QG 1 85 GLY H . . 4.560 4.238 3.995 4.410 . 0 0 "[ . 1 . 2]" 1
534 1 85 GLY H 1 111 THR MG . . 4.430 4.200 3.931 4.372 . 0 0 "[ . 1 . 2]" 1
535 1 30 THR H 1 31 THR H . . 2.950 1.854 1.793 2.028 . 0 0 "[ . 1 . 2]" 1
536 1 28 THR HB 1 31 THR H . . 4.570 3.052 2.796 3.464 . 0 0 "[ . 1 . 2]" 1
537 1 29 PRO HA 1 31 THR H . . 4.730 4.206 3.984 4.424 . 0 0 "[ . 1 . 2]" 1
538 1 31 THR H 1 31 THR HB . . 3.840 3.032 2.909 3.232 . 0 0 "[ . 1 . 2]" 1
539 1 31 THR H 1 32 VAL MG2 . . 4.430 3.633 3.394 3.898 . 0 0 "[ . 1 . 2]" 1
540 1 80 VAL H 1 80 VAL HB . . 4.000 3.706 3.665 3.792 . 0 0 "[ . 1 . 2]" 1
541 1 22 HIS H 1 37 THR H . . 4.860 4.385 3.898 4.777 . 0 0 "[ . 1 . 2]" 1
542 1 36 TRP HA 1 37 THR H . . 3.130 2.340 2.178 2.575 . 0 0 "[ . 1 . 2]" 1
543 1 36 TRP HB3 1 37 THR H . . 4.130 3.922 3.604 4.134 0.004 4 0 "[ . 1 . 2]" 1
544 1 36 TRP HB2 1 37 THR H . . 3.430 2.643 2.116 3.129 . 0 0 "[ . 1 . 2]" 1
545 1 20 ARG QB 1 37 THR H . . 4.100 3.036 2.333 3.286 . 0 0 "[ . 1 . 2]" 1
546 1 37 THR H 1 38 VAL MG1 . . 4.430 4.168 3.846 4.389 . 0 0 "[ . 1 . 2]" 1
547 1 19 VAL MG1 1 37 THR H . . 4.260 3.376 2.773 4.141 . 0 0 "[ . 1 . 2]" 1
548 1 107 LYS H 1 108 THR H . . 4.560 4.493 4.331 4.560 0.000 19 0 "[ . 1 . 2]" 1
549 1 108 THR H 1 109 VAL H . . 4.560 4.477 4.367 4.527 . 0 0 "[ . 1 . 2]" 1
550 1 107 LYS HA 1 108 THR H . . 2.860 2.204 2.147 2.397 . 0 0 "[ . 1 . 2]" 1
551 1 108 THR H 1 108 THR HB . . 3.800 3.591 3.543 3.665 . 0 0 "[ . 1 . 2]" 1
552 1 107 LYS HB2 1 108 THR H . . 4.250 4.087 3.708 4.255 0.005 6 0 "[ . 1 . 2]" 1
553 1 107 LYS HB3 1 108 THR H . . 4.250 3.048 2.440 3.334 . 0 0 "[ . 1 . 2]" 1
554 1 28 THR H 1 31 THR H . . 3.760 3.463 3.403 3.542 . 0 0 "[ . 1 . 2]" 1
555 1 28 THR H 1 30 THR H . . 4.640 4.221 4.106 4.406 . 0 0 "[ . 1 . 2]" 1
556 1 28 THR H 1 31 THR HB . . 4.070 3.783 3.378 4.057 . 0 0 "[ . 1 . 2]" 1
557 1 27 LEU HB2 1 28 THR H . . 3.500 2.418 2.042 2.620 . 0 0 "[ . 1 . 2]" 1
558 1 27 LEU HG 1 28 THR H . . 5.060 4.239 4.010 4.888 . 0 0 "[ . 1 . 2]" 1
559 1 27 LEU HB3 1 28 THR H . . 3.840 3.585 3.277 3.794 . 0 0 "[ . 1 . 2]" 1
560 1 28 THR H 1 28 THR MG . . 3.560 3.508 3.398 3.587 0.027 9 0 "[ . 1 . 2]" 1
561 1 80 VAL H 1 81 ASN H . . 4.640 4.496 4.430 4.552 . 0 0 "[ . 1 . 2]" 1
562 1 79 LEU HA 1 80 VAL H . . 2.910 2.153 2.139 2.249 . 0 0 "[ . 1 . 2]" 1
563 1 67 LEU MD1 1 80 VAL H . . 4.850 4.235 3.635 4.561 . 0 0 "[ . 1 . 2]" 1
564 1 112 THR H 1 113 GLU H . . 4.700 4.637 4.607 4.650 . 0 0 "[ . 1 . 2]" 1
565 1 85 GLY H 1 112 THR H . . 4.840 4.751 4.602 4.841 0.001 11 0 "[ . 1 . 2]" 1
566 1 111 THR HB 1 112 THR H . . 3.900 3.722 3.701 3.758 . 0 0 "[ . 1 . 2]" 1
567 1 111 THR HA 1 112 THR H . . 3.030 2.165 2.161 2.173 . 0 0 "[ . 1 . 2]" 1
568 1 112 THR H 1 112 THR HB . . 3.410 2.494 2.383 2.700 . 0 0 "[ . 1 . 2]" 1
569 1 29 PRO HB3 1 112 THR H . . 4.730 4.312 4.136 4.485 . 0 0 "[ . 1 . 2]" 1
570 1 111 THR MG 1 112 THR H . . 4.300 4.133 3.965 4.217 . 0 0 "[ . 1 . 2]" 1
571 1 26 VAL MG2 1 112 THR H . . 4.240 2.906 2.493 3.277 . 0 0 "[ . 1 . 2]" 1
572 1 111 THR HG1 1 112 THR H . . 5.330 5.129 4.658 5.329 . 0 0 "[ . 1 . 2]" 1
573 1 79 LEU H 1 80 VAL H . . 4.840 4.349 4.213 4.554 . 0 0 "[ . 1 . 2]" 1
574 1 79 LEU HB3 1 80 VAL H . . 4.490 3.567 2.848 3.777 . 0 0 "[ . 1 . 2]" 1
575 1 75 ARG H 1 76 SER H . . 3.000 2.618 1.882 2.961 . 0 0 "[ . 1 . 2]" 1
576 1 74 GLU HA 1 76 SER H . . 3.780 3.673 3.317 3.789 0.009 12 0 "[ . 1 . 2]" 1
577 1 76 SER H 1 76 SER QB . . 3.640 3.091 2.395 3.298 . 0 0 "[ . 1 . 2]" 1
578 1 75 ARG HB2 1 76 SER H . . 4.490 4.094 3.947 4.268 . 0 0 "[ . 1 . 2]" 1
579 1 75 ARG HB3 1 76 SER H . . 4.490 4.404 4.286 4.545 0.055 4 0 "[ . 1 . 2]" 1
580 1 33 GLN HE22 1 35 THR MG . . 4.910 4.290 3.229 4.874 . 0 0 "[ . 1 . 2]" 1
581 1 33 GLN HE21 1 76 SER QB . . 4.640 2.826 2.136 3.336 . 0 0 "[ . 1 . 2]" 1
582 1 33 GLN HE22 1 76 SER QB . . 4.640 3.654 1.883 4.581 . 0 0 "[ . 1 . 2]" 1
583 1 54 GLN HE21 1 59 GLN H . . 4.730 3.729 1.793 4.712 . 0 0 "[ . 1 . 2]" 1
584 1 54 GLN QB 1 54 GLN HE22 . . 4.310 3.764 3.327 4.092 . 0 0 "[ . 1 . 2]" 1
585 1 95 TYR HB2 1 101 GLY H . . 4.640 4.492 3.926 4.659 0.019 12 0 "[ . 1 . 2]" 1
586 1 17 VAL H 1 18 LEU H . . 4.640 4.526 3.993 4.639 . 0 0 "[ . 1 . 2]" 1
587 1 17 VAL HA 1 18 LEU H . . 2.910 2.180 2.141 2.285 . 0 0 "[ . 1 . 2]" 1
588 1 18 LEU H 1 39 ASP QB . . 4.730 3.243 2.846 3.945 . 0 0 "[ . 1 . 2]" 1
589 1 18 LEU H 1 40 ARG QB . . 4.930 4.317 3.088 4.939 0.009 18 0 "[ . 1 . 2]" 1
590 1 18 LEU H 1 18 LEU HB3 . . 3.660 2.795 2.602 2.909 . 0 0 "[ . 1 . 2]" 1
591 1 95 TYR HA 1 101 GLY H . . 4.140 2.956 2.482 3.316 . 0 0 "[ . 1 . 2]" 1
592 1 100 GLN HA 1 101 GLY H . . 3.360 2.181 2.143 2.352 . 0 0 "[ . 1 . 2]" 1
593 1 94 PRO HD2 1 101 GLY H . . 4.490 3.771 3.349 4.088 . 0 0 "[ . 1 . 2]" 1
594 1 14 LEU HG 1 101 GLY H . . 4.260 3.852 2.790 4.279 0.019 17 0 "[ . 1 . 2]" 1
595 1 93 ARG HB2 1 93 ARG HE . . 4.490 3.757 2.132 4.491 0.001 8 0 "[ . 1 . 2]" 1
596 1 56 SER H 1 57 GLY H . . 4.560 4.236 2.089 4.552 . 0 0 "[ . 1 . 2]" 1
597 1 56 SER HB2 1 57 GLY H . . 4.240 3.890 2.703 4.243 0.003 18 0 "[ . 1 . 2]" 1
598 1 57 GLY H 1 60 ALA MB . . 4.730 3.024 2.310 3.617 . 0 0 "[ . 1 . 2]" 1
599 1 69 ALA H 1 95 TYR QE . . 4.930 3.936 3.360 4.594 . 0 0 "[ . 1 . 2]" 1
600 1 68 ASP HA 1 69 ALA H . . 3.190 2.158 2.138 2.218 . 0 0 "[ . 1 . 2]" 1
601 1 48 TYR HB2 1 69 ALA H . . 4.620 4.284 3.832 4.622 0.002 12 0 "[ . 1 . 2]" 1
602 1 27 LEU H 1 28 THR H . . 3.270 2.503 2.190 2.865 . 0 0 "[ . 1 . 2]" 1
603 1 27 LEU H 1 27 LEU HB2 . . 3.740 2.542 2.474 2.613 . 0 0 "[ . 1 . 2]" 1
604 1 27 LEU H 1 27 LEU HB3 . . 4.060 3.622 3.587 3.677 . 0 0 "[ . 1 . 2]" 1
605 1 27 LEU H 1 28 THR MG . . 5.500 5.243 5.081 5.457 . 0 0 "[ . 1 . 2]" 1
606 1 27 LEU H 1 31 THR MG . . 5.500 5.118 4.760 5.401 . 0 0 "[ . 1 . 2]" 1
607 1 27 LEU H 1 32 VAL MG1 . . 4.400 3.412 2.967 3.752 . 0 0 "[ . 1 . 2]" 1
608 1 27 LEU H 1 32 VAL MG2 . . 4.630 3.433 3.120 3.820 . 0 0 "[ . 1 . 2]" 1
609 1 64 TRP H 1 64 TRP HE1 . . 5.500 5.402 5.181 5.500 0.000 17 0 "[ . 1 . 2]" 1
610 1 64 TRP HA 1 64 TRP HE1 . . 5.330 5.170 5.090 5.221 . 0 0 "[ . 1 . 2]" 1
611 1 53 ARG HD2 1 64 TRP HE1 . . 4.730 4.164 3.969 4.376 . 0 0 "[ . 1 . 2]" 1
612 1 53 ARG QH1 1 64 TRP HE1 . . 4.640 2.417 2.091 3.262 . 0 0 "[ . 1 . 2]" 1
613 1 53 ARG HD3 1 64 TRP HE1 . . 4.370 2.780 2.524 3.031 . 0 0 "[ . 1 . 2]" 1
614 1 53 ARG HE 1 64 TRP HH2 . . 4.800 4.162 3.520 4.614 . 0 0 "[ . 1 . 2]" 1
615 1 53 ARG HE 1 89 GLU QB . . 4.640 3.550 3.018 3.832 . 0 0 "[ . 1 . 2]" 1
616 1 49 ARG HB2 1 49 ARG HE . . 4.730 3.360 2.164 4.731 0.001 14 0 "[ . 1 . 2]" 1
617 1 10 VAL HA 1 14 LEU H . . 5.120 3.579 3.175 3.917 . 0 0 "[ . 1 . 2]" 1
618 1 92 VAL H 1 106 SER HA . . 5.120 4.914 4.545 5.125 0.005 12 0 "[ . 1 . 2]" 1
619 1 21 LEU HB2 1 104 SER H . . 5.280 5.080 4.629 5.293 0.013 18 0 "[ . 1 . 2]" 1
620 1 92 VAL HB 1 104 SER H . . 4.840 4.209 3.831 4.737 . 0 0 "[ . 1 . 2]" 1
621 1 21 LEU HB2 1 92 VAL H . . 4.730 3.674 2.943 4.387 . 0 0 "[ . 1 . 2]" 1
622 1 21 LEU MD1 1 92 VAL H . . 4.260 3.214 1.797 4.197 . 0 0 "[ . 1 . 2]" 1
623 1 91 LYS H 1 91 LYS HE2 . . 5.120 4.052 3.437 4.387 . 0 0 "[ . 1 . 2]" 1
624 1 89 GLU QG 1 91 LYS H . . 5.120 4.886 4.626 5.125 0.005 14 0 "[ . 1 . 2]" 1
625 1 52 TYR HB3 1 91 LYS H . . 4.970 4.614 4.286 4.855 . 0 0 "[ . 1 . 2]" 1
626 1 50 VAL HA 1 91 LYS H . . 5.310 4.614 4.260 5.318 0.008 18 0 "[ . 1 . 2]" 1
627 1 64 TRP HH2 1 91 LYS H . . 5.120 4.935 4.220 5.125 0.005 5 0 "[ . 1 . 2]" 1
628 1 103 ASP H 1 104 SER H . . 4.730 4.511 4.320 4.626 . 0 0 "[ . 1 . 2]" 1
629 1 91 LYS H 1 92 VAL H . . 4.970 4.298 4.143 4.418 . 0 0 "[ . 1 . 2]" 1
630 1 110 ARG HA 1 112 THR H . . 5.500 5.491 5.458 5.503 0.003 11 0 "[ . 1 . 2]" 1
631 1 29 PRO HD3 1 112 THR H . . 5.500 5.483 5.442 5.508 0.008 13 0 "[ . 1 . 2]" 1
632 1 85 GLY HA2 1 112 THR H . . 5.500 5.259 5.121 5.473 . 0 0 "[ . 1 . 2]" 1
633 1 72 PRO QD 1 74 GLU H . . 5.310 4.558 4.203 5.053 . 0 0 "[ . 1 . 2]" 1
634 1 53 ARG H 1 54 GLN H . . 4.730 4.347 4.288 4.376 . 0 0 "[ . 1 . 2]" 1
635 1 54 GLN H 1 64 TRP HA . . 5.500 5.254 4.959 5.492 . 0 0 "[ . 1 . 2]" 1
636 1 54 GLN H 1 88 TYR HA . . 5.310 5.236 5.059 5.311 0.001 7 0 "[ . 1 . 2]" 1
637 1 36 TRP HD1 1 38 VAL H . . 5.310 4.416 3.769 5.055 . 0 0 "[ . 1 . 2]" 1
638 1 92 VAL MG1 1 104 SER H . . 5.310 4.672 4.348 5.161 . 0 0 "[ . 1 . 2]" 1
639 1 92 VAL MG2 1 104 SER H . . 5.310 5.175 4.990 5.326 0.016 13 0 "[ . 1 . 2]" 1
640 1 91 LYS HB2 1 92 VAL H . . 3.780 2.917 1.961 3.396 . 0 0 "[ . 1 . 2]" 1
641 1 96 PHE H 1 101 GLY H . . 5.310 4.888 4.359 5.313 0.003 14 0 "[ . 1 . 2]" 1
642 1 100 GLN H 1 101 GLY H . . 4.970 4.280 3.985 4.490 . 0 0 "[ . 1 . 2]" 1
643 1 101 GLY H 1 102 MET H . . 4.970 4.507 3.669 4.628 . 0 0 "[ . 1 . 2]" 1
644 1 95 TYR H 1 101 GLY H . . 5.500 4.428 3.982 4.720 . 0 0 "[ . 1 . 2]" 1
645 1 19 VAL MG1 1 21 LEU H . . 4.840 3.807 3.193 4.478 . 0 0 "[ . 1 . 2]" 1
646 1 21 LEU H 1 22 HIS H . . 4.970 4.313 3.911 4.559 . 0 0 "[ . 1 . 2]" 1
647 1 55 THR H 1 87 THR H . . 4.970 4.578 4.236 4.951 . 0 0 "[ . 1 . 2]" 1
648 1 87 THR H 1 88 TYR QD . . 5.120 4.981 4.691 5.135 0.015 15 0 "[ . 1 . 2]" 1
649 1 55 THR HA 1 60 ALA MB . . 3.830 3.149 2.134 3.681 . 0 0 "[ . 1 . 2]" 1
650 1 69 ALA H 1 69 ALA MB . . 3.280 2.186 2.037 2.293 . 0 0 "[ . 1 . 2]" 1
651 1 48 TYR H 1 69 ALA MB . . 3.590 2.697 2.228 3.184 . 0 0 "[ . 1 . 2]" 1
652 1 69 ALA MB 1 70 LYS H . . 3.830 2.772 2.506 3.107 . 0 0 "[ . 1 . 2]" 1
653 1 36 TRP HZ2 1 69 ALA MB . . 4.280 3.999 3.756 4.282 0.002 15 0 "[ . 1 . 2]" 1
654 1 48 TYR QD 1 69 ALA MB . . 4.510 3.670 3.354 4.067 . 0 0 "[ . 1 . 2]" 1
655 1 36 TRP HH2 1 69 ALA MB . . 3.560 3.430 3.338 3.533 . 0 0 "[ . 1 . 2]" 1
656 1 48 TYR HB2 1 69 ALA MB . . 3.230 2.716 2.484 2.949 . 0 0 "[ . 1 . 2]" 1
657 1 67 LEU MD2 1 69 ALA MB . . 4.250 4.111 3.943 4.249 . 0 0 "[ . 1 . 2]" 1
658 1 50 VAL MG2 1 69 ALA MB . . 3.970 3.346 3.131 3.614 . 0 0 "[ . 1 . 2]" 1
659 1 54 GLN HG2 1 60 ALA MB . . 4.490 3.088 2.619 3.529 . 0 0 "[ . 1 . 2]" 1
660 1 52 TYR HA 1 90 ILE MG . . 4.660 3.272 2.995 3.623 . 0 0 "[ . 1 . 2]" 1
661 1 90 ILE MG 1 91 LYS HA . . 4.360 3.627 3.489 3.757 . 0 0 "[ . 1 . 2]" 1
662 1 52 TYR HB3 1 90 ILE MG . . 4.150 2.202 1.960 2.666 . 0 0 "[ . 1 . 2]" 1
663 1 52 TYR HB2 1 90 ILE MG . . 4.360 3.416 3.005 3.920 . 0 0 "[ . 1 . 2]" 1
664 1 34 VAL HB 1 90 ILE MG . . 5.370 4.355 4.017 4.773 . 0 0 "[ . 1 . 2]" 1
665 1 90 ILE MG 1 92 VAL MG2 . . 3.780 3.445 3.025 3.670 . 0 0 "[ . 1 . 2]" 1
666 1 80 VAL MG2 1 81 ASN H . . 3.660 3.177 2.794 3.468 . 0 0 "[ . 1 . 2]" 1
667 1 80 VAL H 1 80 VAL MG2 . . 3.020 2.036 1.877 2.167 . 0 0 "[ . 1 . 2]" 1
668 1 80 VAL MG2 1 81 ASN HD21 . . 3.970 2.679 1.875 3.501 . 0 0 "[ . 1 . 2]" 1
669 1 80 VAL HA 1 80 VAL MG2 . . 3.700 3.197 3.185 3.202 . 0 0 "[ . 1 . 2]" 1
670 1 79 LEU HA 1 80 VAL MG2 . . 3.970 3.762 3.407 3.881 . 0 0 "[ . 1 . 2]" 1
671 1 45 ILE MG 1 46 GLN H . . 3.940 3.324 2.810 3.621 . 0 0 "[ . 1 . 2]" 1
672 1 44 PHE H 1 45 ILE MG . . 4.510 4.364 4.202 4.490 . 0 0 "[ . 1 . 2]" 1
673 1 45 ILE MG 1 48 TYR QE . . 4.070 3.692 2.902 4.073 0.003 5 0 "[ . 1 . 2]" 1
674 1 45 ILE MG 1 47 GLY H . . 3.740 3.314 2.495 3.676 . 0 0 "[ . 1 . 2]" 1
675 1 45 ILE MG 1 94 PRO HA . . 5.500 5.289 4.974 5.483 . 0 0 "[ . 1 . 2]" 1
676 1 45 ILE MG 1 46 GLN HA . . 4.360 3.675 3.350 3.989 . 0 0 "[ . 1 . 2]" 1
677 1 45 ILE MG 1 72 PRO QB . . 3.280 2.108 1.884 2.410 . 0 0 "[ . 1 . 2]" 1
678 1 18 LEU HA 1 102 MET ME . . 4.490 3.530 2.530 4.503 0.013 15 0 "[ . 1 . 2]" 1
679 1 102 MET HA 1 102 MET ME . . 4.490 4.198 3.530 4.449 . 0 0 "[ . 1 . 2]" 1
680 1 15 GLY HA2 1 102 MET ME . . 4.950 4.289 3.087 4.966 0.016 16 0 "[ . 1 . 2]" 1
681 1 18 LEU HG 1 102 MET ME . . 5.500 3.687 2.200 5.472 . 0 0 "[ . 1 . 2]" 1
682 1 84 LYS HA 1 85 GLY HA3 . . 4.490 4.433 4.401 4.495 0.005 18 0 "[ . 1 . 2]" 1
683 1 85 GLY HA2 1 86 VAL HA . . 4.800 4.317 4.302 4.349 . 0 0 "[ . 1 . 2]" 1
684 1 85 GLY HA2 1 112 THR HA . . 4.980 3.879 3.677 4.082 . 0 0 "[ . 1 . 2]" 1
685 1 15 GLY HA2 1 102 MET HA . . 4.890 4.799 4.061 4.910 0.020 12 0 "[ . 1 . 2]" 1
686 1 51 MET H 1 51 MET ME . . 4.950 4.862 4.562 4.955 0.005 16 0 "[ . 1 . 2]" 1
687 1 51 MET ME 1 64 TRP H . . 5.170 4.709 4.478 4.992 . 0 0 "[ . 1 . 2]" 1
688 1 51 MET ME 1 64 TRP HE3 . . 3.780 2.542 2.220 2.983 . 0 0 "[ . 1 . 2]" 1
689 1 51 MET HA 1 51 MET ME . . 4.490 3.820 3.500 4.153 . 0 0 "[ . 1 . 2]" 1
690 1 51 MET ME 1 64 TRP HA . . 4.490 4.129 3.895 4.371 . 0 0 "[ . 1 . 2]" 1
691 1 51 MET ME 1 64 TRP HB3 . . 3.410 2.010 1.884 2.276 . 0 0 "[ . 1 . 2]" 1
692 1 51 MET ME 1 64 TRP HB2 . . 3.480 2.917 2.661 3.224 . 0 0 "[ . 1 . 2]" 1
693 1 51 MET ME 1 51 MET HG2 . . 3.590 2.517 2.306 3.374 . 0 0 "[ . 1 . 2]" 1
694 1 51 MET ME 1 51 MET HG3 . . 3.590 3.276 2.326 3.401 . 0 0 "[ . 1 . 2]" 1
695 1 51 MET HB3 1 51 MET ME . . 3.330 2.114 1.900 2.488 . 0 0 "[ . 1 . 2]" 1
696 1 51 MET ME 1 91 LYS HE3 . . 4.490 3.106 2.392 3.560 . 0 0 "[ . 1 . 2]" 1
697 1 51 MET ME 1 52 TYR H . . 4.660 4.028 3.670 4.308 . 0 0 "[ . 1 . 2]" 1
698 1 7 GLY HA2 1 96 PHE HZ . . 5.400 5.101 4.727 5.408 0.008 1 0 "[ . 1 . 2]" 1
699 1 7 GLY HA2 1 10 VAL HB . . 4.770 3.502 2.627 4.773 0.003 6 0 "[ . 1 . 2]" 1
700 1 14 LEU HB3 1 15 GLY HA3 . . 5.200 4.299 4.183 4.446 . 0 0 "[ . 1 . 2]" 1
701 1 7 GLY HA3 1 96 PHE QE . . 4.890 4.060 3.606 4.800 . 0 0 "[ . 1 . 2]" 1
702 1 50 VAL MG2 1 67 LEU HB2 . . 5.190 4.949 4.539 5.195 0.005 20 0 "[ . 1 . 2]" 1
703 1 90 ILE H 1 90 ILE MD . . 4.150 2.793 2.322 3.729 . 0 0 "[ . 1 . 2]" 1
704 1 88 TYR QD 1 90 ILE MD . . 4.660 3.968 3.527 4.511 . 0 0 "[ . 1 . 2]" 1
705 1 90 ILE HA 1 90 ILE MD . . 4.360 3.586 3.412 3.965 . 0 0 "[ . 1 . 2]" 1
706 1 90 ILE HB 1 90 ILE MD . . 3.080 2.134 2.081 2.288 . 0 0 "[ . 1 . 2]" 1
707 1 79 LEU MD1 1 90 ILE MD . . 3.260 2.608 1.793 3.115 . 0 0 "[ . 1 . 2]" 1
708 1 52 TYR QE 1 67 LEU HB2 . . 4.360 2.442 2.032 2.691 . 0 0 "[ . 1 . 2]" 1
709 1 67 LEU HB2 1 68 ASP H . . 4.890 4.494 4.398 4.566 . 0 0 "[ . 1 . 2]" 1
710 1 50 VAL MG2 1 67 LEU HB3 . . 5.190 3.506 3.099 3.732 . 0 0 "[ . 1 . 2]" 1
711 1 67 LEU H 1 67 LEU HB3 . . 4.150 2.570 2.413 2.708 . 0 0 "[ . 1 . 2]" 1
712 1 67 LEU HB3 1 68 ASP H . . 4.890 4.436 4.344 4.508 . 0 0 "[ . 1 . 2]" 1
713 1 50 VAL HB 1 67 LEU HB3 . . 3.940 2.123 2.001 2.314 . 0 0 "[ . 1 . 2]" 1
714 1 67 LEU HB3 1 79 LEU MD2 . . 4.150 2.945 2.529 3.216 . 0 0 "[ . 1 . 2]" 1
715 1 45 ILE MD 1 47 GLY HA3 . . 5.500 4.979 4.634 5.302 . 0 0 "[ . 1 . 2]" 1
716 1 45 ILE MG 1 47 GLY HA2 . . 5.140 3.821 3.510 4.147 . 0 0 "[ . 1 . 2]" 1
717 1 45 ILE MD 1 47 GLY HA2 . . 5.500 4.247 3.732 4.584 . 0 0 "[ . 1 . 2]" 1
718 1 47 GLY HA3 1 70 LYS HA . . 4.360 3.677 3.192 4.112 . 0 0 "[ . 1 . 2]" 1
719 1 47 GLY HA3 1 72 PRO QB . . 4.890 4.455 4.116 4.714 . 0 0 "[ . 1 . 2]" 1
720 1 47 GLY HA2 1 72 PRO QB . . 4.550 3.024 2.631 3.367 . 0 0 "[ . 1 . 2]" 1
721 1 47 GLY HA2 1 48 TYR QD . . 4.660 3.408 2.742 4.014 . 0 0 "[ . 1 . 2]" 1
722 1 21 LEU HB3 1 104 SER HB3 . . 5.190 3.914 2.784 5.034 . 0 0 "[ . 1 . 2]" 1
723 1 21 LEU HB2 1 36 TRP HB2 . . 4.810 4.078 3.392 4.542 . 0 0 "[ . 1 . 2]" 1
724 1 21 LEU HB2 1 107 LYS QE . . 5.500 5.109 3.700 5.507 0.007 3 0 "[ . 1 . 2]" 1
725 1 45 ILE H 1 45 ILE MD . . 4.510 4.279 4.205 4.358 . 0 0 "[ . 1 . 2]" 1
726 1 41 GLN HA 1 45 ILE MD . . 5.500 5.057 4.821 5.367 . 0 0 "[ . 1 . 2]" 1
727 1 42 PRO HA 1 45 ILE MD . . 5.500 5.365 5.160 5.500 . 0 0 "[ . 1 . 2]" 1
728 1 45 ILE HA 1 45 ILE MD . . 3.780 3.668 3.571 3.762 . 0 0 "[ . 1 . 2]" 1
729 1 42 PRO HD2 1 45 ILE MD . . 4.000 3.416 3.184 3.767 . 0 0 "[ . 1 . 2]" 1
730 1 42 PRO HB2 1 45 ILE MD . . 3.850 3.578 3.362 3.816 . 0 0 "[ . 1 . 2]" 1
731 1 45 ILE MD 1 94 PRO HB3 . . 3.350 2.160 1.942 2.437 . 0 0 "[ . 1 . 2]" 1
732 1 42 PRO HG2 1 45 ILE MD . . 3.940 2.149 1.946 2.340 . 0 0 "[ . 1 . 2]" 1
733 1 42 PRO HG3 1 45 ILE MD . . 3.940 2.422 2.006 2.654 . 0 0 "[ . 1 . 2]" 1
734 1 45 ILE MD 1 48 TYR HH . . 4.490 3.198 2.073 3.690 . 0 0 "[ . 1 . 2]" 1
735 1 45 ILE MD 1 94 PRO HA . . 4.360 2.257 1.957 2.579 . 0 0 "[ . 1 . 2]" 1
736 1 45 ILE MD 1 72 PRO HA . . 4.890 4.108 3.739 4.598 . 0 0 "[ . 1 . 2]" 1
737 1 42 PRO HD3 1 45 ILE MD . . 4.410 4.045 3.790 4.337 . 0 0 "[ . 1 . 2]" 1
738 1 93 ARG HD2 1 100 GLN HB3 . . 4.770 3.726 2.804 4.765 . 0 0 "[ . 1 . 2]" 1
739 1 93 ARG HD2 1 100 GLN HB2 . . 4.770 3.208 1.997 4.680 . 0 0 "[ . 1 . 2]" 1
740 1 93 ARG HD3 1 100 GLN HB2 . . 4.770 3.130 1.999 4.585 . 0 0 "[ . 1 . 2]" 1
741 1 93 ARG HD3 1 100 GLN HB3 . . 4.770 3.811 2.675 4.773 0.003 2 0 "[ . 1 . 2]" 1
742 1 21 LEU HB3 1 104 SER HB2 . . 5.190 3.866 2.548 5.041 . 0 0 "[ . 1 . 2]" 1
743 1 21 LEU HB3 1 107 LYS QE . . 4.490 3.592 2.306 4.173 . 0 0 "[ . 1 . 2]" 1
744 1 21 LEU HB3 1 22 HIS H . . 4.660 4.243 3.811 4.493 . 0 0 "[ . 1 . 2]" 1
745 1 21 LEU HB2 1 104 SER HB2 . . 4.890 2.868 2.037 3.694 . 0 0 "[ . 1 . 2]" 1
746 1 21 LEU HB2 1 104 SER HB3 . . 4.890 2.827 1.996 3.956 . 0 0 "[ . 1 . 2]" 1
747 1 94 PRO HG2 1 101 GLY HA2 . . 4.660 3.730 3.596 3.973 . 0 0 "[ . 1 . 2]" 1
748 1 94 PRO HG3 1 101 GLY HA3 . . 4.360 3.604 3.419 3.901 . 0 0 "[ . 1 . 2]" 1
749 1 94 PRO HB2 1 101 GLY HA3 . . 5.500 3.923 3.646 4.066 . 0 0 "[ . 1 . 2]" 1
750 1 14 LEU HG 1 101 GLY HA3 . . 4.240 2.550 2.181 3.043 . 0 0 "[ . 1 . 2]" 1
751 1 110 ARG HA 1 110 ARG HD2 . . 5.500 4.540 4.203 4.721 . 0 0 "[ . 1 . 2]" 1
752 1 110 ARG HA 1 110 ARG HD3 . . 5.500 4.503 4.264 4.708 . 0 0 "[ . 1 . 2]" 1
753 1 110 ARG HB3 1 110 ARG HD2 . . 4.200 3.180 2.376 3.790 . 0 0 "[ . 1 . 2]" 1
754 1 110 ARG HB3 1 110 ARG HD3 . . 4.200 2.739 2.190 3.649 . 0 0 "[ . 1 . 2]" 1
755 1 87 THR MG 1 110 ARG HD2 . . 5.500 4.851 4.002 5.468 . 0 0 "[ . 1 . 2]" 1
756 1 87 THR MG 1 110 ARG HD3 . . 5.500 5.054 4.170 5.491 . 0 0 "[ . 1 . 2]" 1
757 1 40 ARG HA 1 40 ARG HD2 . . 5.500 4.371 2.285 4.929 . 0 0 "[ . 1 . 2]" 1
758 1 40 ARG HA 1 40 ARG HD3 . . 5.500 4.354 2.524 5.469 . 0 0 "[ . 1 . 2]" 1
759 1 39 ASP QB 1 40 ARG HD2 . . 5.500 3.884 1.865 5.080 . 0 0 "[ . 1 . 2]" 1
760 1 39 ASP QB 1 40 ARG HD3 . . 5.500 4.536 2.023 5.497 . 0 0 "[ . 1 . 2]" 1
761 1 8 ARG QB 1 8 ARG QD . . 3.090 2.194 2.021 2.567 . 0 0 "[ . 1 . 2]" 1
762 1 66 ASN HB2 1 67 LEU H . . 4.070 3.590 3.056 4.071 0.001 11 0 "[ . 1 . 2]" 1
763 1 49 ARG QG 1 66 ASN HB2 . . 4.000 2.960 2.009 3.925 . 0 0 "[ . 1 . 2]" 1
764 1 66 ASN HB3 1 67 LEU H . . 4.070 3.714 3.254 4.077 0.007 17 0 "[ . 1 . 2]" 1
765 1 18 LEU HB2 1 39 ASP QB . . 4.500 4.111 3.390 4.498 . 0 0 "[ . 1 . 2]" 1
766 1 18 LEU H 1 18 LEU HB2 . . 3.660 2.650 2.391 2.846 . 0 0 "[ . 1 . 2]" 1
767 1 18 LEU HB3 1 39 ASP QB . . 4.500 3.319 2.374 3.941 . 0 0 "[ . 1 . 2]" 1
768 1 24 PRO HD2 1 107 LYS QE . . 5.190 4.509 2.841 5.092 . 0 0 "[ . 1 . 2]" 1
769 1 24 PRO HD3 1 107 LYS QE . . 5.190 4.232 2.996 4.900 . 0 0 "[ . 1 . 2]" 1
770 1 107 LYS QE 1 107 LYS QG . . 2.970 2.136 2.045 2.273 . 0 0 "[ . 1 . 2]" 1
771 1 49 ARG QG 1 66 ASN HB3 . . 4.000 2.616 2.021 3.096 . 0 0 "[ . 1 . 2]" 1
772 1 53 ARG HD2 1 64 TRP HA . . 4.510 4.021 3.702 4.455 . 0 0 "[ . 1 . 2]" 1
773 1 53 ARG HB2 1 53 ARG HD2 . . 3.830 2.249 2.155 2.381 . 0 0 "[ . 1 . 2]" 1
774 1 89 GLU HA 1 90 ILE HB . . 4.950 4.741 4.649 4.822 . 0 0 "[ . 1 . 2]" 1
775 1 53 ARG HD3 1 64 TRP HH2 . . 5.500 4.924 4.707 5.137 . 0 0 "[ . 1 . 2]" 1
776 1 53 ARG HB2 1 53 ARG HD3 . . 4.000 2.835 2.649 2.942 . 0 0 "[ . 1 . 2]" 1
777 1 83 LYS HA 1 83 LYS QE . . 4.660 4.150 3.492 4.616 . 0 0 "[ . 1 . 2]" 1
778 1 83 LYS QE 1 83 LYS HG3 . . 3.630 2.586 2.131 3.473 . 0 0 "[ . 1 . 2]" 1
779 1 27 LEU HB2 1 28 THR MG . . 4.620 3.907 3.710 4.114 . 0 0 "[ . 1 . 2]" 1
780 1 27 LEU HB2 1 31 THR MG . . 5.040 4.172 3.820 4.508 . 0 0 "[ . 1 . 2]" 1
781 1 27 LEU HB2 1 32 VAL MG2 . . 5.500 4.864 4.487 5.184 . 0 0 "[ . 1 . 2]" 1
782 1 27 LEU HB3 1 28 THR MG . . 3.880 3.695 3.551 3.838 . 0 0 "[ . 1 . 2]" 1
783 1 27 LEU HB3 1 27 LEU MD1 . . 3.300 2.389 2.284 2.491 . 0 0 "[ . 1 . 2]" 1
784 1 22 HIS HD2 1 35 THR HB . . 4.670 4.451 3.832 4.653 . 0 0 "[ . 1 . 2]" 1
785 1 35 THR HB 1 76 SER QB . . 5.190 4.789 4.143 5.200 0.010 13 0 "[ . 1 . 2]" 1
786 1 22 HIS QB 1 35 THR HB . . 4.450 2.996 2.196 3.942 . 0 0 "[ . 1 . 2]" 1
787 1 31 THR HB 1 32 VAL H . . 4.400 3.811 3.537 4.064 . 0 0 "[ . 1 . 2]" 1
788 1 27 LEU HB2 1 31 THR HB . . 4.150 3.743 3.463 4.075 . 0 0 "[ . 1 . 2]" 1
789 1 27 LEU HB3 1 31 THR HB . . 5.330 5.105 4.845 5.316 . 0 0 "[ . 1 . 2]" 1
790 1 83 LYS QE 1 83 LYS HG2 . . 3.630 2.682 2.109 3.410 . 0 0 "[ . 1 . 2]" 1
791 1 52 TYR HB3 1 90 ILE MD . . 4.240 3.780 3.420 4.157 . 0 0 "[ . 1 . 2]" 1
792 1 88 TYR HB2 1 109 VAL MG1 . . 4.070 1.923 1.834 2.057 . 0 0 "[ . 1 . 2]" 1
793 1 49 ARG HB2 1 95 TYR HB3 . . 4.750 3.384 2.885 3.800 . 0 0 "[ . 1 . 2]" 1
794 1 103 ASP H 1 103 ASP HB3 . . 3.970 2.938 2.308 3.635 . 0 0 "[ . 1 . 2]" 1
795 1 58 LEU HB2 1 59 GLN H . . 4.660 3.507 3.265 3.688 . 0 0 "[ . 1 . 2]" 1
796 1 58 LEU HB2 1 58 LEU MD2 . . 3.340 2.358 2.238 2.460 . 0 0 "[ . 1 . 2]" 1
797 1 79 LEU HB2 1 80 VAL H . . 4.490 4.251 3.785 4.359 . 0 0 "[ . 1 . 2]" 1
798 1 95 TYR HB2 1 100 GLN HB2 . . 5.200 4.554 3.756 5.184 . 0 0 "[ . 1 . 2]" 1
799 1 70 LYS QE 1 70 LYS QG . . 3.310 2.179 2.064 2.341 . 0 0 "[ . 1 . 2]" 1
800 1 44 PHE QE 1 96 PHE QB . . 3.970 2.633 2.096 3.241 . 0 0 "[ . 1 . 2]" 1
801 1 96 PHE QB 1 97 ASN HA . . 4.660 4.437 4.307 4.604 . 0 0 "[ . 1 . 2]" 1
802 1 84 LYS QE 1 84 LYS QG . . 3.310 2.218 2.052 2.552 . 0 0 "[ . 1 . 2]" 1
803 1 38 VAL MG1 1 75 ARG HD2 . . 5.070 3.421 3.023 4.240 . 0 0 "[ . 1 . 2]" 1
804 1 16 ASP H 1 16 ASP HB2 . . 3.660 2.450 2.273 2.801 . 0 0 "[ . 1 . 2]" 1
805 1 13 GLU HA 1 16 ASP HB2 . . 4.240 2.662 2.020 3.752 . 0 0 "[ . 1 . 2]" 1
806 1 16 ASP HB2 1 17 VAL H . . 4.490 3.346 2.130 4.302 . 0 0 "[ . 1 . 2]" 1
807 1 52 TYR HB2 1 90 ILE HG12 . . 4.200 2.603 2.033 3.184 . 0 0 "[ . 1 . 2]" 1
808 1 79 LEU HB3 1 82 LEU MD1 . . 3.880 2.989 2.638 3.282 . 0 0 "[ . 1 . 2]" 1
809 1 37 THR H 1 37 THR HB . . 3.830 3.366 2.766 3.835 0.005 9 0 "[ . 1 . 2]" 1
810 1 37 THR HB 1 38 VAL H . . 4.170 3.517 2.287 4.171 0.001 2 0 "[ . 1 . 2]" 1
811 1 20 ARG QB 1 37 THR HB . . 4.490 4.115 3.605 4.467 . 0 0 "[ . 1 . 2]" 1
812 1 108 THR HB 1 109 VAL H . . 3.650 3.229 3.046 3.405 . 0 0 "[ . 1 . 2]" 1
813 1 89 GLU HA 1 108 THR HB . . 4.630 4.579 4.421 4.635 0.005 2 0 "[ . 1 . 2]" 1
814 1 50 VAL MG1 1 52 TYR HB3 . . 4.660 3.257 3.077 3.482 . 0 0 "[ . 1 . 2]" 1
815 1 29 PRO HB2 1 84 LYS QE . . 4.490 3.583 2.842 4.112 . 0 0 "[ . 1 . 2]" 1
816 1 30 THR MG 1 84 LYS QE . . 3.390 2.385 1.739 3.402 0.012 10 0 "[ . 1 . 2]" 1
817 1 84 LYS H 1 84 LYS QE . . 4.660 4.085 3.453 4.682 0.022 10 0 "[ . 1 . 2]" 1
818 1 16 ASP HB3 1 17 VAL HA . . 4.890 4.191 3.923 4.628 . 0 0 "[ . 1 . 2]" 1
819 1 16 ASP H 1 16 ASP HB3 . . 3.700 2.966 2.352 3.597 . 0 0 "[ . 1 . 2]" 1
820 1 16 ASP HB3 1 17 VAL H . . 4.490 2.641 1.928 4.383 . 0 0 "[ . 1 . 2]" 1
821 1 48 TYR HB2 1 92 VAL MG1 . . 4.410 4.224 3.883 4.426 0.016 15 0 "[ . 1 . 2]" 1
822 1 14 LEU HB2 1 101 GLY HA2 . . 4.890 4.770 4.632 4.922 0.032 14 0 "[ . 1 . 2]" 1
823 1 11 GLN QG 1 14 LEU HB2 . . 5.320 5.056 4.674 5.248 . 0 0 "[ . 1 . 2]" 1
824 1 13 GLU QB 1 14 LEU HB2 . . 5.500 4.764 4.662 4.912 . 0 0 "[ . 1 . 2]" 1
825 1 14 LEU HB3 1 101 GLY HA2 . . 4.660 4.457 3.890 4.665 0.005 9 0 "[ . 1 . 2]" 1
826 1 14 LEU HB3 1 101 GLY HA3 . . 5.500 5.108 4.723 5.499 . 0 0 "[ . 1 . 2]" 1
827 1 11 GLN QG 1 14 LEU HB3 . . 4.660 4.559 3.858 4.683 0.023 3 0 "[ . 1 . 2]" 1
828 1 38 VAL HA 1 39 ASP QB . . 4.660 4.172 4.014 4.362 . 0 0 "[ . 1 . 2]" 1
829 1 48 TYR HB3 1 49 ARG HA . . 5.310 4.730 4.508 4.859 . 0 0 "[ . 1 . 2]" 1
830 1 48 TYR HB3 1 94 PRO HA . . 5.500 4.569 3.942 5.072 . 0 0 "[ . 1 . 2]" 1
831 1 39 ASP H 1 39 ASP QB . . 3.660 2.265 2.135 2.439 . 0 0 "[ . 1 . 2]" 1
832 1 90 ILE MG 1 91 LYS HE2 . . 5.440 5.196 4.924 5.444 0.004 13 0 "[ . 1 . 2]" 1
833 1 51 MET ME 1 91 LYS HE2 . . 4.490 3.602 2.758 4.495 0.005 11 0 "[ . 1 . 2]" 1
834 1 64 TRP HE3 1 91 LYS HE3 . . 5.500 4.178 3.616 4.676 . 0 0 "[ . 1 . 2]" 1
835 1 90 ILE MG 1 91 LYS HE3 . . 5.440 5.138 4.478 5.454 0.014 9 0 "[ . 1 . 2]" 1
836 1 68 ASP H 1 68 ASP HB2 . . 3.830 3.379 2.548 3.601 . 0 0 "[ . 1 . 2]" 1
837 1 68 ASP HB2 1 95 TYR QE . . 4.980 4.418 3.637 4.984 0.004 5 0 "[ . 1 . 2]" 1
838 1 68 ASP H 1 68 ASP HB3 . . 3.830 2.902 2.388 3.609 . 0 0 "[ . 1 . 2]" 1
839 1 82 LEU HB3 1 88 TYR QD . . 4.770 4.060 3.938 4.139 . 0 0 "[ . 1 . 2]" 1
840 1 30 THR HA 1 82 LEU HB3 . . 4.490 4.165 3.644 4.400 . 0 0 "[ . 1 . 2]" 1
841 1 82 LEU HB2 1 88 TYR QD . . 5.500 5.425 5.170 5.501 0.001 5 0 "[ . 1 . 2]" 1
842 1 82 LEU HB2 1 88 TYR QE . . 5.500 4.830 4.513 5.009 . 0 0 "[ . 1 . 2]" 1
843 1 30 THR HA 1 82 LEU HB2 . . 4.150 2.693 2.056 2.974 . 0 0 "[ . 1 . 2]" 1
844 1 112 THR HB 1 113 GLU H . . 3.770 3.723 3.553 3.794 0.024 16 0 "[ . 1 . 2]" 1
845 1 61 THR HB 1 62 SER H . . 4.610 4.594 4.552 4.636 0.026 1 0 "[ . 1 . 2]" 1
846 1 87 THR HB 1 88 TYR H . . 4.070 3.645 3.225 3.851 . 0 0 "[ . 1 . 2]" 1
847 1 55 THR H 1 87 THR HB . . 4.890 4.176 3.980 4.401 . 0 0 "[ . 1 . 2]" 1
848 1 56 SER H 1 87 THR HB . . 4.890 4.254 3.471 4.678 . 0 0 "[ . 1 . 2]" 1
849 1 87 THR HB 1 110 ARG HA . . 4.890 4.810 4.602 4.896 0.006 1 0 "[ . 1 . 2]" 1
850 1 86 VAL HA 1 87 THR HB . . 5.190 5.020 4.882 5.140 . 0 0 "[ . 1 . 2]" 1
851 1 45 ILE HB 1 96 PHE HA . . 5.190 5.087 4.866 5.215 0.025 13 0 "[ . 1 . 2]" 1
852 1 45 ILE HB 1 47 GLY H . . 5.190 4.930 4.515 5.189 . 0 0 "[ . 1 . 2]" 1
853 1 42 PRO HD2 1 45 ILE HB . . 4.890 4.416 4.291 4.780 . 0 0 "[ . 1 . 2]" 1
854 1 42 PRO HB2 1 45 ILE HB . . 4.490 2.135 1.994 2.239 . 0 0 "[ . 1 . 2]" 1
855 1 45 ILE HB 1 72 PRO QB . . 5.500 4.830 4.545 5.144 . 0 0 "[ . 1 . 2]" 1
856 1 45 ILE HB 1 94 PRO HB3 . . 5.500 4.939 4.460 5.387 . 0 0 "[ . 1 . 2]" 1
857 1 45 ILE HB 1 45 ILE MD . . 3.590 2.380 2.308 2.422 . 0 0 "[ . 1 . 2]" 1
858 1 44 PHE HB2 1 45 ILE H . . 4.430 3.786 3.556 4.036 . 0 0 "[ . 1 . 2]" 1
859 1 31 THR HA 1 32 VAL HB . . 4.660 4.522 4.401 4.647 . 0 0 "[ . 1 . 2]" 1
860 1 32 VAL HB 1 33 GLN H . . 4.660 4.034 3.914 4.175 . 0 0 "[ . 1 . 2]" 1
861 1 32 VAL HB 1 79 LEU H . . 4.660 4.031 3.837 4.244 . 0 0 "[ . 1 . 2]" 1
862 1 74 GLU H 1 74 GLU QG . . 3.560 3.276 3.004 3.629 0.069 13 0 "[ . 1 . 2]" 1
863 1 74 GLU QG 1 76 SER H . . 4.670 4.446 4.164 4.670 . 0 0 "[ . 1 . 2]" 1
864 1 74 GLU HA 1 74 GLU QG . . 3.560 2.283 2.108 2.434 . 0 0 "[ . 1 . 2]" 1
865 1 69 ALA MB 1 74 GLU QG . . 4.680 4.402 3.914 4.683 0.003 15 0 "[ . 1 . 2]" 1
866 1 24 PRO HD2 1 107 LYS HB3 . . 4.490 2.540 2.176 2.950 . 0 0 "[ . 1 . 2]" 1
867 1 97 ASN HB2 1 98 GLU H . . 3.370 2.525 2.058 3.207 . 0 0 "[ . 1 . 2]" 1
868 1 97 ASN HB2 1 99 PHE H . . 4.890 4.098 3.656 4.903 0.013 15 0 "[ . 1 . 2]" 1
869 1 97 ASN HB2 1 99 PHE QD . . 5.500 4.309 3.801 5.246 . 0 0 "[ . 1 . 2]" 1
870 1 55 THR MG 1 89 GLU QG . . 4.240 4.017 3.420 4.234 . 0 0 "[ . 1 . 2]" 1
871 1 105 GLU QG 1 106 SER H . . 4.580 4.437 4.205 4.596 0.016 13 0 "[ . 1 . 2]" 1
872 1 105 GLU H 1 105 GLU QG . . 3.630 2.147 1.885 2.602 . 0 0 "[ . 1 . 2]" 1
873 1 105 GLU HA 1 105 GLU QG . . 3.590 2.778 2.391 3.439 . 0 0 "[ . 1 . 2]" 1
874 1 21 LEU HB3 1 105 GLU QG . . 5.500 4.379 2.162 5.429 . 0 0 "[ . 1 . 2]" 1
875 1 21 LEU HB2 1 105 GLU QG . . 5.500 5.076 3.502 5.503 0.003 10 0 "[ . 1 . 2]" 1
876 1 89 GLU HA 1 89 GLU QG . . 3.740 2.398 2.246 2.714 . 0 0 "[ . 1 . 2]" 1
877 1 89 GLU QG 1 108 THR MG . . 3.940 2.741 2.179 3.455 . 0 0 "[ . 1 . 2]" 1
878 1 104 SER HA 1 105 GLU QG . . 4.660 3.972 3.691 4.589 . 0 0 "[ . 1 . 2]" 1
879 1 85 GLY HA2 1 113 GLU QG . . 4.890 3.218 2.079 4.882 . 0 0 "[ . 1 . 2]" 1
880 1 85 GLY HA3 1 113 GLU QG . . 4.660 3.049 1.939 4.294 . 0 0 "[ . 1 . 2]" 1
881 1 35 THR HA 1 76 SER QB . . 4.070 2.916 2.229 3.462 . 0 0 "[ . 1 . 2]" 1
882 1 90 ILE MG 1 91 LYS HB3 . . 5.280 4.705 4.531 4.925 . 0 0 "[ . 1 . 2]" 1
883 1 91 LYS HB3 1 92 VAL H . . 4.660 3.996 3.210 4.293 . 0 0 "[ . 1 . 2]" 1
884 1 91 LYS HB2 1 106 SER HA . . 4.660 3.445 2.774 4.044 . 0 0 "[ . 1 . 2]" 1
885 1 29 PRO HA 1 112 THR H . . 4.240 4.120 3.913 4.245 0.005 15 0 "[ . 1 . 2]" 1
886 1 29 PRO HA 1 111 THR HG1 . . 4.890 4.521 3.919 4.874 . 0 0 "[ . 1 . 2]" 1
887 1 29 PRO HA 1 111 THR HB . . 3.940 2.087 1.999 2.364 . 0 0 "[ . 1 . 2]" 1
888 1 29 PRO HA 1 112 THR MG . . 4.360 3.542 3.242 3.825 . 0 0 "[ . 1 . 2]" 1
889 1 29 PRO HA 1 111 THR MG . . 4.150 3.044 2.709 3.279 . 0 0 "[ . 1 . 2]" 1
890 1 56 SER HB3 1 57 GLY H . . 4.240 3.232 2.306 3.793 . 0 0 "[ . 1 . 2]" 1
891 1 25 VAL HB 1 26 VAL H . . 4.660 4.321 4.190 4.414 . 0 0 "[ . 1 . 2]" 1
892 1 89 GLU QG 1 106 SER HB2 . . 3.560 2.353 1.955 3.491 . 0 0 "[ . 1 . 2]" 1
893 1 91 LYS HB3 1 106 SER HB2 . . 4.490 3.649 3.085 4.460 . 0 0 "[ . 1 . 2]" 1
894 1 89 GLU QG 1 106 SER HB3 . . 3.560 3.140 1.928 3.548 . 0 0 "[ . 1 . 2]" 1
895 1 91 LYS HB3 1 106 SER HB3 . . 4.490 2.900 2.225 3.558 . 0 0 "[ . 1 . 2]" 1
896 1 25 VAL HB 1 33 GLN H . . 4.360 4.078 3.754 4.315 . 0 0 "[ . 1 . 2]" 1
897 1 98 GLU HA 1 98 GLU HG2 . . 4.070 3.726 3.592 4.188 0.118 11 0 "[ . 1 . 2]" 1
898 1 109 VAL HB 1 110 ARG H . . 4.410 4.323 4.237 4.406 . 0 0 "[ . 1 . 2]" 1
899 1 21 LEU HA 1 92 VAL HB . . 5.330 4.767 4.214 5.254 . 0 0 "[ . 1 . 2]" 1
900 1 91 LYS HA 1 92 VAL HB . . 5.500 4.620 4.478 4.743 . 0 0 "[ . 1 . 2]" 1
901 1 19 VAL HB 1 92 VAL HB . . 4.890 4.318 3.789 4.848 . 0 0 "[ . 1 . 2]" 1
902 1 19 VAL MG1 1 92 VAL HB . . 3.480 2.406 2.000 2.993 . 0 0 "[ . 1 . 2]" 1
903 1 72 PRO HA 1 74 GLU H . . 4.490 3.740 3.313 4.310 . 0 0 "[ . 1 . 2]" 1
904 1 48 TYR QE 1 72 PRO HA . . 3.700 2.826 2.300 3.441 . 0 0 "[ . 1 . 2]" 1
905 1 47 GLY HA2 1 72 PRO HA . . 4.240 2.480 2.023 2.827 . 0 0 "[ . 1 . 2]" 1
906 1 45 ILE MG 1 72 PRO HA . . 4.340 3.354 2.935 3.815 . 0 0 "[ . 1 . 2]" 1
907 1 47 GLY HA3 1 72 PRO HA . . 4.490 4.206 3.746 4.491 0.001 20 0 "[ . 1 . 2]" 1
908 1 10 VAL HA 1 44 PHE QE . . 4.900 3.053 2.460 3.269 . 0 0 "[ . 1 . 2]" 1
909 1 10 VAL HA 1 44 PHE HZ . . 5.500 3.485 2.906 4.090 . 0 0 "[ . 1 . 2]" 1
910 1 9 GLN HA 1 10 VAL HA . . 5.210 4.834 4.752 4.995 . 0 0 "[ . 1 . 2]" 1
911 1 10 VAL HA 1 14 LEU HA . . 5.500 5.242 4.837 5.509 0.009 8 0 "[ . 1 . 2]" 1
912 1 10 VAL HA 1 10 VAL MG1 . . 3.650 2.917 2.164 3.201 . 0 0 "[ . 1 . 2]" 1
913 1 10 VAL HA 1 10 VAL MG2 . . 3.650 2.281 2.163 2.437 . 0 0 "[ . 1 . 2]" 1
914 1 38 VAL HB 1 39 ASP H . . 4.360 3.154 2.488 3.503 . 0 0 "[ . 1 . 2]" 1
915 1 38 VAL H 1 38 VAL HB . . 4.020 3.827 3.706 3.946 . 0 0 "[ . 1 . 2]" 1
916 1 38 VAL HB 1 48 TYR QE . . 5.500 5.209 4.827 5.501 0.001 16 0 "[ . 1 . 2]" 1
917 1 98 GLU H 1 98 GLU HG2 . . 4.560 2.642 1.962 4.588 0.028 1 0 "[ . 1 . 2]" 1
918 1 90 ILE MD 1 109 VAL HB . . 3.880 3.243 2.935 3.624 . 0 0 "[ . 1 . 2]" 1
919 1 52 TYR QE 1 65 GLN QG . . 4.660 3.966 2.902 4.533 . 0 0 "[ . 1 . 2]" 1
920 1 65 GLN HA 1 65 GLN QG . . 3.260 2.437 2.199 2.817 . 0 0 "[ . 1 . 2]" 1
921 1 86 VAL HB 1 87 THR H . . 4.080 3.987 3.837 4.081 0.001 6 0 "[ . 1 . 2]" 1
922 1 86 VAL HB 1 88 TYR QE . . 5.040 4.547 4.365 4.824 . 0 0 "[ . 1 . 2]" 1
923 1 51 MET HB2 1 64 TRP HE3 . . 4.360 4.160 3.575 4.362 0.002 16 0 "[ . 1 . 2]" 1
924 1 51 MET HB2 1 90 ILE MG . . 4.770 4.433 4.074 4.771 0.001 10 0 "[ . 1 . 2]" 1
925 1 51 MET HB2 1 91 LYS QG . . 4.760 3.090 2.616 4.186 . 0 0 "[ . 1 . 2]" 1
926 1 34 VAL HB 1 36 TRP HZ3 . . 4.070 3.023 2.864 3.265 . 0 0 "[ . 1 . 2]" 1
927 1 34 VAL H 1 34 VAL HB . . 3.460 2.668 2.528 2.823 . 0 0 "[ . 1 . 2]" 1
928 1 34 VAL HB 1 50 VAL MG2 . . 4.120 3.848 3.603 4.111 . 0 0 "[ . 1 . 2]" 1
929 1 54 GLN QB 1 62 SER HB2 . . 5.500 5.369 5.074 5.513 0.013 3 0 "[ . 1 . 2]" 1
930 1 46 GLN QG 1 95 TYR QE . . 4.490 4.179 3.554 4.496 0.006 11 0 "[ . 1 . 2]" 1
931 1 46 GLN QG 1 96 PHE QE . . 4.660 2.719 2.027 3.211 . 0 0 "[ . 1 . 2]" 1
932 1 46 GLN HA 1 46 GLN QG . . 3.590 2.509 2.139 2.809 . 0 0 "[ . 1 . 2]" 1
933 1 93 ARG HB3 1 103 ASP HA . . 4.660 2.580 1.991 4.381 . 0 0 "[ . 1 . 2]" 1
934 1 93 ARG HB3 1 93 ARG HE . . 4.490 3.554 2.302 4.511 0.021 17 0 "[ . 1 . 2]" 1
935 1 93 ARG HB2 1 103 ASP HA . . 4.660 3.557 2.555 4.656 . 0 0 "[ . 1 . 2]" 1
936 1 62 SER H 1 62 SER HB3 . . 3.980 2.618 2.482 2.743 . 0 0 "[ . 1 . 2]" 1
937 1 62 SER H 1 62 SER HB2 . . 3.980 2.739 2.611 3.684 . 0 0 "[ . 1 . 2]" 1
938 1 59 GLN H 1 59 GLN HG2 . . 4.660 3.115 2.065 4.164 . 0 0 "[ . 1 . 2]" 1
939 1 59 GLN HA 1 59 GLN HG2 . . 3.890 2.860 2.413 3.612 . 0 0 "[ . 1 . 2]" 1
940 1 59 GLN H 1 59 GLN HG3 . . 4.660 3.295 2.583 4.023 . 0 0 "[ . 1 . 2]" 1
941 1 59 GLN HA 1 59 GLN HG3 . . 3.890 3.245 2.403 3.789 . 0 0 "[ . 1 . 2]" 1
942 1 71 VAL HB 1 72 PRO QD . . 4.310 4.039 3.721 4.284 . 0 0 "[ . 1 . 2]" 1
943 1 33 GLN H 1 33 GLN HG2 . . 4.770 4.477 4.319 4.651 . 0 0 "[ . 1 . 2]" 1
944 1 33 GLN H 1 33 GLN HG3 . . 4.770 4.513 4.197 4.777 0.007 13 0 "[ . 1 . 2]" 1
945 1 26 VAL HA 1 27 LEU H . . 3.190 2.182 2.142 2.348 . 0 0 "[ . 1 . 2]" 1
946 1 26 VAL HA 1 26 VAL MG1 . . 3.560 3.180 3.169 3.200 . 0 0 "[ . 1 . 2]" 1
947 1 26 VAL HA 1 32 VAL MG1 . . 3.570 2.188 1.971 2.618 . 0 0 "[ . 1 . 2]" 1
948 1 17 VAL HA 1 40 ARG QB . . 4.360 3.194 2.025 4.040 . 0 0 "[ . 1 . 2]" 1
949 1 17 VAL HA 1 17 VAL MG1 . . 3.370 2.713 2.299 3.204 . 0 0 "[ . 1 . 2]" 1
950 1 41 GLN HG2 1 42 PRO HD2 . . 4.660 3.309 2.216 4.347 . 0 0 "[ . 1 . 2]" 1
951 1 41 GLN HA 1 41 GLN HG2 . . 4.070 3.072 2.489 3.878 . 0 0 "[ . 1 . 2]" 1
952 1 41 GLN HG2 1 45 ILE MG . . 4.670 4.109 3.535 4.673 0.003 5 0 "[ . 1 . 2]" 1
953 1 41 GLN HG3 1 45 ILE MG . . 4.670 4.291 3.587 4.677 0.007 16 0 "[ . 1 . 2]" 1
954 1 41 GLN H 1 41 GLN HG3 . . 4.890 4.459 4.198 4.736 . 0 0 "[ . 1 . 2]" 1
955 1 41 GLN HA 1 41 GLN HG3 . . 4.070 2.722 2.383 3.595 . 0 0 "[ . 1 . 2]" 1
956 1 54 GLN HG2 1 55 THR H . . 4.240 2.511 1.981 2.975 . 0 0 "[ . 1 . 2]" 1
957 1 54 GLN HG3 1 56 SER H . . 4.350 3.629 3.271 3.983 . 0 0 "[ . 1 . 2]" 1
958 1 78 VAL HB 1 79 LEU H . . 4.490 4.269 4.037 4.433 . 0 0 "[ . 1 . 2]" 1
959 1 78 VAL H 1 78 VAL HB . . 3.370 2.677 2.486 2.835 . 0 0 "[ . 1 . 2]" 1
960 1 84 LYS H 1 84 LYS HB2 . . 3.850 2.997 2.513 3.696 . 0 0 "[ . 1 . 2]" 1
961 1 84 LYS H 1 84 LYS HB3 . . 3.850 3.418 2.745 3.744 . 0 0 "[ . 1 . 2]" 1
962 1 84 LYS HB3 1 85 GLY H . . 4.490 3.532 2.918 4.224 . 0 0 "[ . 1 . 2]" 1
963 1 41 GLN H 1 41 GLN HG2 . . 4.890 4.463 4.324 4.609 . 0 0 "[ . 1 . 2]" 1
964 1 102 MET H 1 102 MET HB2 . . 3.940 2.666 2.152 3.614 . 0 0 "[ . 1 . 2]" 1
965 1 102 MET HB2 1 103 ASP H . . 4.510 3.972 2.670 4.511 0.001 17 0 "[ . 1 . 2]" 1
966 1 102 MET HB3 1 103 ASP H . . 4.510 3.481 2.485 4.336 . 0 0 "[ . 1 . 2]" 1
967 1 53 ARG HB3 1 64 TRP HA . . 4.240 2.105 1.995 2.345 . 0 0 "[ . 1 . 2]" 1
968 1 53 ARG HB3 1 54 GLN H . . 4.660 3.861 3.699 3.992 . 0 0 "[ . 1 . 2]" 1
969 1 53 ARG HG3 1 89 GLU QB . . 4.240 3.459 3.139 3.747 . 0 0 "[ . 1 . 2]" 1
970 1 29 PRO HB2 1 84 LYS QG . . 4.150 2.684 1.848 4.109 . 0 0 "[ . 1 . 2]" 1
971 1 29 PRO HB2 1 112 THR MG . . 4.660 4.143 3.828 4.521 . 0 0 "[ . 1 . 2]" 1
972 1 29 PRO HB2 1 30 THR MG . . 4.240 3.307 3.108 3.563 . 0 0 "[ . 1 . 2]" 1
973 1 19 VAL MG2 1 94 PRO HB3 . . 3.560 3.410 3.001 3.567 0.007 16 0 "[ . 1 . 2]" 1
974 1 19 VAL HB 1 20 ARG H . . 4.770 4.154 3.810 4.423 . 0 0 "[ . 1 . 2]" 1
975 1 19 VAL HB 1 104 SER HB3 . . 4.410 3.323 2.047 4.363 . 0 0 "[ . 1 . 2]" 1
976 1 19 VAL H 1 19 VAL HB . . 3.590 2.564 2.486 2.660 . 0 0 "[ . 1 . 2]" 1
977 1 19 VAL HB 1 104 SER HB2 . . 4.410 3.437 2.214 4.383 . 0 0 "[ . 1 . 2]" 1
978 1 70 LYS HB3 1 71 VAL H . . 4.660 4.402 4.285 4.514 . 0 0 "[ . 1 . 2]" 1
979 1 29 PRO HB3 1 84 LYS QE . . 5.500 5.047 4.192 5.519 0.019 13 0 "[ . 1 . 2]" 1
980 1 109 VAL HA 1 110 ARG HB3 . . 5.240 4.918 4.821 4.981 . 0 0 "[ . 1 . 2]" 1
981 1 87 THR HA 1 110 ARG HB3 . . 5.190 4.958 4.779 5.077 . 0 0 "[ . 1 . 2]" 1
982 1 48 TYR QE 1 94 PRO HB2 . . 4.490 3.982 3.672 4.280 . 0 0 "[ . 1 . 2]" 1
983 1 45 ILE MD 1 94 PRO HB2 . . 3.590 2.097 1.948 2.394 . 0 0 "[ . 1 . 2]" 1
984 1 24 PRO HB2 1 32 VAL MG1 . . 3.820 2.194 1.952 2.459 . 0 0 "[ . 1 . 2]" 1
985 1 42 PRO HB2 1 45 ILE H . . 4.890 2.435 2.233 2.522 . 0 0 "[ . 1 . 2]" 1
986 1 42 PRO HB2 1 44 PHE H . . 4.890 3.733 3.304 3.913 . 0 0 "[ . 1 . 2]" 1
987 1 42 PRO HB2 1 45 ILE MG . . 4.280 3.169 2.834 3.411 . 0 0 "[ . 1 . 2]" 1
988 1 46 GLN H 1 72 PRO QB . . 5.100 4.565 4.159 4.890 . 0 0 "[ . 1 . 2]" 1
989 1 83 LYS QB 1 83 LYS QE . . 4.260 3.094 2.022 3.749 . 0 0 "[ . 1 . 2]" 1
990 1 42 PRO HB3 1 45 ILE H . . 4.890 4.111 3.894 4.225 . 0 0 "[ . 1 . 2]" 1
991 1 42 PRO HB3 1 44 PHE H . . 4.950 4.845 4.465 4.958 0.008 14 0 "[ . 1 . 2]" 1
992 1 42 PRO HB3 1 43 GLN H . . 4.660 3.870 3.687 4.077 . 0 0 "[ . 1 . 2]" 1
993 1 110 ARG HB2 1 111 THR H . . 4.630 4.544 4.464 4.596 . 0 0 "[ . 1 . 2]" 1
994 1 109 VAL HA 1 110 ARG HB2 . . 5.400 4.324 4.261 4.395 . 0 0 "[ . 1 . 2]" 1
995 1 87 THR MG 1 110 ARG HB2 . . 4.070 3.091 2.826 3.401 . 0 0 "[ . 1 . 2]" 1
996 1 87 THR HA 1 110 ARG HB2 . . 4.490 4.055 3.755 4.272 . 0 0 "[ . 1 . 2]" 1
997 1 110 ARG HB2 1 110 ARG HD2 . . 4.220 3.087 2.551 3.699 . 0 0 "[ . 1 . 2]" 1
998 1 110 ARG HB2 1 110 ARG HD3 . . 4.220 2.947 2.312 3.764 . 0 0 "[ . 1 . 2]" 1
999 1 21 LEU MD1 1 36 TRP HB3 . . 4.490 2.515 1.851 4.500 0.010 17 0 "[ . 1 . 2]" 1
1000 1 21 LEU HA 1 36 TRP HB3 . . 4.360 2.766 2.197 3.127 . 0 0 "[ . 1 . 2]" 1
1001 1 21 LEU HA 1 36 TRP HB2 . . 4.390 2.956 2.388 3.301 . 0 0 "[ . 1 . 2]" 1
1002 1 36 TRP HB2 1 38 VAL MG1 . . 4.490 4.231 3.937 4.488 . 0 0 "[ . 1 . 2]" 1
1003 1 72 PRO QB 1 73 THR MG . . 4.490 3.551 3.206 3.826 . 0 0 "[ . 1 . 2]" 1
1004 1 72 PRO QB 1 73 THR H . . 4.490 3.518 3.320 3.732 . 0 0 "[ . 1 . 2]" 1
1005 1 9 GLN HA 1 12 LYS QB . . 3.560 2.333 1.923 2.854 . 0 0 "[ . 1 . 2]" 1
1006 1 50 VAL HA 1 92 VAL HA . . 3.700 3.027 2.829 3.291 . 0 0 "[ . 1 . 2]" 1
1007 1 49 ARG QG 1 50 VAL HA . . 5.260 4.525 4.170 5.026 . 0 0 "[ . 1 . 2]" 1
1008 1 50 VAL HA 1 51 MET HB2 . . 5.500 4.450 4.353 4.580 . 0 0 "[ . 1 . 2]" 1
1009 1 50 VAL HA 1 92 VAL MG2 . . 3.830 3.550 2.994 3.831 0.001 16 0 "[ . 1 . 2]" 1
1010 1 102 MET HG2 1 103 ASP H . . 5.190 4.189 2.944 5.190 . 0 0 "[ . 1 . 2]" 1
1011 1 102 MET H 1 102 MET HG2 . . 4.240 3.358 1.990 4.352 0.112 16 0 "[ . 1 . 2]" 1
1012 1 102 MET HA 1 102 MET HG2 . . 4.070 2.763 2.170 4.196 0.126 19 0 "[ . 1 . 2]" 1
1013 1 102 MET H 1 102 MET HG3 . . 4.240 2.960 2.114 4.018 . 0 0 "[ . 1 . 2]" 1
1014 1 102 MET HG3 1 103 ASP H . . 5.190 4.736 4.203 5.112 . 0 0 "[ . 1 . 2]" 1
1015 1 102 MET HA 1 102 MET HG3 . . 4.070 3.181 2.605 3.862 . 0 0 "[ . 1 . 2]" 1
1016 1 15 GLY HA2 1 102 MET HG3 . . 4.890 3.226 2.064 4.723 . 0 0 "[ . 1 . 2]" 1
1017 1 17 VAL H 1 17 VAL HB . . 3.530 2.601 2.407 2.767 . 0 0 "[ . 1 . 2]" 1
1018 1 95 TYR HB2 1 100 GLN HB3 . . 5.200 3.639 2.736 4.762 . 0 0 "[ . 1 . 2]" 1
1019 1 15 GLY HA2 1 102 MET HG2 . . 4.890 3.925 2.702 4.916 0.026 17 0 "[ . 1 . 2]" 1
1020 1 87 THR HA 1 109 VAL H . . 4.660 4.224 4.008 4.392 . 0 0 "[ . 1 . 2]" 1
1021 1 48 TYR QE 1 73 THR HA . . 5.170 4.852 4.412 5.173 0.003 13 0 "[ . 1 . 2]" 1
1022 1 26 VAL MG1 1 111 THR HA . . 3.960 3.951 3.864 3.971 0.011 7 0 "[ . 1 . 2]" 1
1023 1 32 VAL MG2 1 111 THR HA . . 4.490 4.115 3.892 4.304 . 0 0 "[ . 1 . 2]" 1
1024 1 45 ILE HA 1 47 GLY H . . 4.360 3.985 3.651 4.351 . 0 0 "[ . 1 . 2]" 1
1025 1 51 MET HA 1 51 MET HG2 . . 4.000 2.403 2.262 2.582 . 0 0 "[ . 1 . 2]" 1
1026 1 33 GLN HB3 1 34 VAL H . . 4.490 3.975 3.484 4.426 . 0 0 "[ . 1 . 2]" 1
1027 1 51 MET HA 1 51 MET HG3 . . 4.000 2.978 2.628 3.715 . 0 0 "[ . 1 . 2]" 1
1028 1 27 LEU MD1 1 33 GLN HB2 . . 4.290 2.185 1.821 3.651 . 0 0 "[ . 1 . 2]" 1
1029 1 45 ILE HA 1 46 GLN H . . 3.250 2.265 2.163 2.447 . 0 0 "[ . 1 . 2]" 1
1030 1 45 ILE HA 1 96 PHE HA . . 4.000 2.664 2.380 3.056 . 0 0 "[ . 1 . 2]" 1
1031 1 45 ILE HA 1 96 PHE QB . . 3.660 2.944 2.520 3.411 . 0 0 "[ . 1 . 2]" 1
1032 1 45 ILE HA 1 45 ILE HG12 . . 4.000 2.949 2.738 3.080 . 0 0 "[ . 1 . 2]" 1
1033 1 45 ILE HA 1 45 ILE HG13 . . 4.070 2.252 2.162 2.416 . 0 0 "[ . 1 . 2]" 1
1034 1 45 ILE HA 1 45 ILE MG . . 3.430 3.176 3.168 3.188 . 0 0 "[ . 1 . 2]" 1
1035 1 45 ILE HA 1 46 GLN HB2 . . 4.490 4.292 4.199 4.515 0.025 13 0 "[ . 1 . 2]" 1
1036 1 49 ARG HB3 1 93 ARG H . . 4.890 4.318 3.888 4.876 . 0 0 "[ . 1 . 2]" 1
1037 1 20 ARG QB 1 37 THR MG . . 4.070 2.685 1.758 4.074 0.004 9 0 "[ . 1 . 2]" 1
1038 1 49 ARG HB2 1 95 TYR QE . . 4.660 3.017 2.473 3.618 . 0 0 "[ . 1 . 2]" 1
1039 1 49 ARG HB2 1 50 VAL H . . 4.890 4.507 4.346 4.652 . 0 0 "[ . 1 . 2]" 1
1040 1 10 VAL HB 1 11 GLN H . . 3.930 3.243 1.927 3.854 . 0 0 "[ . 1 . 2]" 1
1041 1 10 VAL HB 1 96 PHE QE . . 5.230 4.910 4.026 5.240 0.010 20 0 "[ . 1 . 2]" 1
1042 1 7 GLY HA3 1 10 VAL HB . . 4.770 3.759 2.539 4.576 . 0 0 "[ . 1 . 2]" 1
1043 1 25 VAL HA 1 26 VAL HA . . 4.660 4.411 4.377 4.440 . 0 0 "[ . 1 . 2]" 1
1044 1 112 THR HA 1 112 THR MG . . 3.460 3.193 3.181 3.207 . 0 0 "[ . 1 . 2]" 1
1045 1 85 GLY H 1 112 THR HA . . 4.890 4.532 4.273 4.785 . 0 0 "[ . 1 . 2]" 1
1046 1 110 ARG HG2 1 112 THR HA . . 4.890 4.337 4.166 4.490 . 0 0 "[ . 1 . 2]" 1
1047 1 25 VAL HA 1 26 VAL HB . . 5.000 4.807 4.634 4.972 . 0 0 "[ . 1 . 2]" 1
1048 1 49 ARG HA 1 50 VAL HB . . 4.950 4.651 4.587 4.710 . 0 0 "[ . 1 . 2]" 1
1049 1 50 VAL HB 1 67 LEU HB2 . . 3.940 3.699 3.286 3.920 . 0 0 "[ . 1 . 2]" 1
1050 1 85 GLY HA3 1 113 GLU HB3 . . 5.500 3.860 2.203 5.461 . 0 0 "[ . 1 . 2]" 1
1051 1 46 GLN HB2 1 95 TYR QE . . 4.070 3.281 2.331 3.733 . 0 0 "[ . 1 . 2]" 1
1052 1 46 GLN HB2 1 97 ASN H . . 5.440 5.097 4.900 5.199 . 0 0 "[ . 1 . 2]" 1
1053 1 46 GLN HB2 1 95 TYR QD . . 5.020 3.919 3.206 4.191 . 0 0 "[ . 1 . 2]" 1
1054 1 46 GLN HB2 1 96 PHE HA . . 3.620 2.683 2.244 2.982 . 0 0 "[ . 1 . 2]" 1
1055 1 54 GLN HA 1 55 THR HA . . 5.500 4.376 4.349 4.448 . 0 0 "[ . 1 . 2]" 1
1056 1 74 GLU HB2 1 76 SER H . . 4.410 4.352 4.187 4.419 0.009 4 0 "[ . 1 . 2]" 1
1057 1 74 GLU HB3 1 76 SER H . . 4.410 2.796 2.676 2.926 . 0 0 "[ . 1 . 2]" 1
1058 1 69 ALA MB 1 74 GLU HB3 . . 3.940 3.608 3.293 3.950 0.010 16 0 "[ . 1 . 2]" 1
1059 1 40 ARG QB 1 41 GLN H . . 3.850 3.675 2.507 3.862 0.012 3 0 "[ . 1 . 2]" 1
1060 1 39 ASP QB 1 40 ARG QB . . 4.660 3.817 3.532 4.468 . 0 0 "[ . 1 . 2]" 1
1061 1 35 THR HA 1 77 ALA H . . 4.490 3.970 3.656 4.344 . 0 0 "[ . 1 . 2]" 1
1062 1 113 GLU HB3 1 114 GLU H . . 4.140 3.546 2.375 4.154 0.014 19 0 "[ . 1 . 2]" 1
1063 1 17 VAL H 1 40 ARG QB . . 5.480 4.716 3.621 5.488 0.008 18 0 "[ . 1 . 2]" 1
1064 1 31 THR HA 1 80 VAL MG1 . . 4.000 3.789 3.549 3.988 . 0 0 "[ . 1 . 2]" 1
1065 1 31 THR HA 1 32 VAL MG2 . . 3.830 3.572 3.386 3.779 . 0 0 "[ . 1 . 2]" 1
1066 1 31 THR HA 1 81 ASN H . . 5.230 4.441 4.128 4.812 . 0 0 "[ . 1 . 2]" 1
1067 1 31 THR HA 1 80 VAL HA . . 3.740 2.642 2.341 2.867 . 0 0 "[ . 1 . 2]" 1
1068 1 22 HIS QB 1 35 THR MG . . 4.490 3.751 2.645 4.425 . 0 0 "[ . 1 . 2]" 1
1069 1 51 MET HB3 1 64 TRP HB3 . . 4.660 3.851 3.596 4.205 . 0 0 "[ . 1 . 2]" 1
1070 1 104 SER HA 1 105 GLU QB . . 4.950 4.707 4.534 4.869 . 0 0 "[ . 1 . 2]" 1
1071 1 89 GLU QB 1 108 THR HA . . 4.360 3.941 3.703 4.199 . 0 0 "[ . 1 . 2]" 1
1072 1 89 GLU HA 1 108 THR HA . . 3.430 2.392 2.236 2.537 . 0 0 "[ . 1 . 2]" 1
1073 1 89 GLU QG 1 108 THR HA . . 4.660 3.861 3.589 4.576 . 0 0 "[ . 1 . 2]" 1
1074 1 52 TYR HB3 1 90 ILE HA . . 4.490 3.552 3.415 3.732 . 0 0 "[ . 1 . 2]" 1
1075 1 52 TYR HB2 1 90 ILE HA . . 4.490 4.051 3.646 4.414 . 0 0 "[ . 1 . 2]" 1
1076 1 90 ILE HA 1 90 ILE HG13 . . 4.150 2.563 2.370 2.962 . 0 0 "[ . 1 . 2]" 1
1077 1 90 ILE HA 1 90 ILE MG . . 3.410 2.245 2.175 2.337 . 0 0 "[ . 1 . 2]" 1
1078 1 10 VAL HA 1 13 GLU QB . . 4.360 3.748 2.966 4.391 0.031 20 0 "[ . 1 . 2]" 1
1079 1 84 LYS H 1 84 LYS QD . . 4.890 3.155 1.863 4.194 . 0 0 "[ . 1 . 2]" 1
1080 1 29 PRO HB2 1 84 LYS QD . . 4.360 3.615 2.553 4.209 . 0 0 "[ . 1 . 2]" 1
1081 1 70 LYS HA 1 70 LYS QD . . 4.240 3.536 2.034 4.197 . 0 0 "[ . 1 . 2]" 1
1082 1 70 LYS H 1 70 LYS QD . . 4.890 4.423 2.751 4.846 . 0 0 "[ . 1 . 2]" 1
1083 1 13 GLU HA 1 16 ASP H . . 4.240 3.435 2.961 3.908 . 0 0 "[ . 1 . 2]" 1
1084 1 13 GLU HA 1 16 ASP HB3 . . 3.940 2.660 1.990 3.760 . 0 0 "[ . 1 . 2]" 1
1085 1 13 GLU HA 1 13 GLU HG2 . . 4.120 3.775 3.379 3.945 . 0 0 "[ . 1 . 2]" 1
1086 1 13 GLU HA 1 13 GLU HG3 . . 4.120 3.162 2.742 3.419 . 0 0 "[ . 1 . 2]" 1
1087 1 12 LYS QB 1 13 GLU HA . . 4.770 4.146 3.830 4.526 . 0 0 "[ . 1 . 2]" 1
1088 1 13 GLU HA 1 14 LEU HB3 . . 5.500 5.505 5.464 5.555 0.055 12 0 "[ . 1 . 2]" 1
1089 1 38 VAL MG2 1 41 GLN HB2 . . 4.900 2.492 1.939 3.459 . 0 0 "[ . 1 . 2]" 1
1090 1 41 GLN H 1 41 GLN HB2 . . 3.880 2.543 2.263 3.082 . 0 0 "[ . 1 . 2]" 1
1091 1 40 ARG HA 1 41 GLN HB2 . . 4.890 4.732 4.434 4.908 0.018 18 0 "[ . 1 . 2]" 1
1092 1 40 ARG HA 1 41 GLN HB3 . . 4.890 4.585 4.440 4.761 . 0 0 "[ . 1 . 2]" 1
1093 1 41 GLN HB3 1 42 PRO HD2 . . 4.890 4.446 4.090 4.670 . 0 0 "[ . 1 . 2]" 1
1094 1 38 VAL MG2 1 41 GLN HB3 . . 4.900 3.747 3.250 4.693 . 0 0 "[ . 1 . 2]" 1
1095 1 43 GLN HB2 1 44 PHE H . . 4.490 2.856 2.405 3.854 . 0 0 "[ . 1 . 2]" 1
1096 1 43 GLN H 1 43 GLN HB3 . . 4.000 3.339 2.480 3.630 . 0 0 "[ . 1 . 2]" 1
1097 1 43 GLN HB3 1 44 PHE H . . 4.490 3.231 2.390 3.892 . 0 0 "[ . 1 . 2]" 1
1098 1 107 LYS HA 1 107 LYS HD2 . . 4.150 3.157 2.017 3.784 . 0 0 "[ . 1 . 2]" 1
1099 1 107 LYS HA 1 107 LYS HD3 . . 4.150 2.531 2.097 3.630 . 0 0 "[ . 1 . 2]" 1
1100 1 83 LYS H 1 83 LYS QD . . 4.490 4.325 3.954 4.487 . 0 0 "[ . 1 . 2]" 1
1101 1 83 LYS HA 1 83 LYS QD . . 4.120 3.192 2.108 4.118 . 0 0 "[ . 1 . 2]" 1
1102 1 9 GLN HA 1 12 LYS QD . . 5.170 4.352 2.764 5.176 0.006 1 0 "[ . 1 . 2]" 1
1103 1 12 LYS QD 1 13 GLU HA . . 5.500 4.738 2.764 5.507 0.007 6 0 "[ . 1 . 2]" 1
1104 1 54 GLN QB 1 88 TYR QE . . 4.190 2.678 2.334 3.203 . 0 0 "[ . 1 . 2]" 1
1105 1 54 GLN QB 1 60 ALA MB . . 4.300 3.172 2.569 3.739 . 0 0 "[ . 1 . 2]" 1
1106 1 12 LYS HA 1 12 LYS QD . . 4.070 2.964 1.986 4.097 0.027 14 0 "[ . 1 . 2]" 1
1107 1 11 GLN HA 1 11 GLN QG . . 3.630 2.307 2.149 2.571 . 0 0 "[ . 1 . 2]" 1
1108 1 11 GLN HA 1 14 LEU HB2 . . 4.070 3.840 3.585 4.074 0.004 17 0 "[ . 1 . 2]" 1
1109 1 11 GLN HA 1 14 LEU HB3 . . 3.830 2.928 2.490 3.134 . 0 0 "[ . 1 . 2]" 1
1110 1 11 GLN H 1 11 GLN HB2 . . 3.660 2.337 2.177 2.705 . 0 0 "[ . 1 . 2]" 1
1111 1 98 GLU H 1 98 GLU HB3 . . 4.070 3.051 2.357 3.398 . 0 0 "[ . 1 . 2]" 1
1112 1 45 ILE H 1 45 ILE HG12 . . 4.670 4.613 4.543 4.668 . 0 0 "[ . 1 . 2]" 1
1113 1 42 PRO HB2 1 45 ILE HG13 . . 4.490 4.431 4.282 4.503 0.013 14 0 "[ . 1 . 2]" 1
1114 1 45 ILE HG13 1 46 GLN H . . 4.890 2.780 2.475 3.177 . 0 0 "[ . 1 . 2]" 1
1115 1 45 ILE HG12 1 47 GLY H . . 4.660 2.091 1.890 2.446 . 0 0 "[ . 1 . 2]" 1
1116 1 45 ILE HG12 1 72 PRO QB . . 4.360 3.796 3.218 4.119 . 0 0 "[ . 1 . 2]" 1
1117 1 45 ILE HG12 1 46 GLN H . . 4.490 2.395 1.894 2.800 . 0 0 "[ . 1 . 2]" 1
1118 1 45 ILE HG12 1 45 ILE MG . . 3.600 2.280 2.194 2.417 . 0 0 "[ . 1 . 2]" 1
1119 1 45 ILE HG13 1 47 GLY H . . 4.890 3.357 3.047 3.624 . 0 0 "[ . 1 . 2]" 1
1120 1 45 ILE HG13 1 72 PRO QB . . 5.500 5.250 4.753 5.500 . 0 0 "[ . 1 . 2]" 1
1121 1 45 ILE HG13 1 94 PRO HB3 . . 5.500 4.264 3.875 4.667 . 0 0 "[ . 1 . 2]" 1
1122 1 28 THR HB 1 29 PRO HG2 . . 4.890 3.647 3.627 3.690 . 0 0 "[ . 1 . 2]" 1
1123 1 28 THR HB 1 29 PRO HG3 . . 4.890 4.590 4.570 4.641 . 0 0 "[ . 1 . 2]" 1
1124 1 90 ILE HG13 1 91 LYS H . . 5.190 4.524 4.303 4.909 . 0 0 "[ . 1 . 2]" 1
1125 1 90 ILE H 1 90 ILE HG13 . . 4.660 3.260 2.656 3.549 . 0 0 "[ . 1 . 2]" 1
1126 1 52 TYR HB2 1 90 ILE HG13 . . 4.200 2.526 1.999 3.413 . 0 0 "[ . 1 . 2]" 1
1127 1 52 TYR HB3 1 90 ILE HG13 . . 4.490 2.841 2.221 3.926 . 0 0 "[ . 1 . 2]" 1
1128 1 90 ILE HG12 1 91 LYS H . . 5.190 4.842 4.547 5.033 . 0 0 "[ . 1 . 2]" 1
1129 1 52 TYR QD 1 90 ILE HG12 . . 5.190 4.139 3.951 4.544 . 0 0 "[ . 1 . 2]" 1
1130 1 90 ILE H 1 90 ILE HG12 . . 4.660 4.313 4.044 4.479 . 0 0 "[ . 1 . 2]" 1
1131 1 90 ILE HA 1 90 ILE HG12 . . 4.150 3.406 2.884 3.620 . 0 0 "[ . 1 . 2]" 1
1132 1 52 TYR HB3 1 90 ILE HG12 . . 4.490 2.404 2.104 2.792 . 0 0 "[ . 1 . 2]" 1
1133 1 53 ARG HA 1 64 TRP HA . . 4.360 4.096 3.747 4.365 0.005 5 0 "[ . 1 . 2]" 1
1134 1 53 ARG HB2 1 64 TRP HA . . 3.910 2.946 2.766 3.151 . 0 0 "[ . 1 . 2]" 1
1135 1 53 ARG HD3 1 64 TRP HA . . 4.240 3.189 2.928 3.792 . 0 0 "[ . 1 . 2]" 1
1136 1 43 GLN HA 1 44 PHE HA . . 5.050 4.820 4.748 4.859 . 0 0 "[ . 1 . 2]" 1
1137 1 91 LYS HA 1 106 SER HA . . 4.150 3.100 2.799 3.310 . 0 0 "[ . 1 . 2]" 1
1138 1 91 LYS HB3 1 106 SER HA . . 3.940 2.359 2.004 2.723 . 0 0 "[ . 1 . 2]" 1
1139 1 106 SER HA 1 107 LYS QG . . 4.660 3.922 3.391 4.161 . 0 0 "[ . 1 . 2]" 1
1140 1 47 GLY HA2 1 70 LYS HA . . 4.950 4.781 4.345 4.963 0.013 15 0 "[ . 1 . 2]" 1
1141 1 46 GLN QG 1 96 PHE HA . . 4.320 3.232 2.851 3.537 . 0 0 "[ . 1 . 2]" 1
1142 1 43 GLN HA 1 43 GLN HG2 . . 3.830 2.884 2.314 3.745 . 0 0 "[ . 1 . 2]" 1
1143 1 43 GLN HA 1 43 GLN HG3 . . 3.830 3.010 2.306 3.778 . 0 0 "[ . 1 . 2]" 1
1144 1 87 THR HA 1 88 TYR HA . . 5.030 4.435 4.399 4.516 . 0 0 "[ . 1 . 2]" 1
1145 1 88 TYR HA 1 89 GLU HA . . 5.370 4.381 4.373 4.410 . 0 0 "[ . 1 . 2]" 1
1146 1 88 TYR HA 1 88 TYR QD . . 3.940 2.887 2.742 2.996 . 0 0 "[ . 1 . 2]" 1
1147 1 88 TYR HA 1 89 GLU QB . . 4.360 4.055 4.031 4.089 . 0 0 "[ . 1 . 2]" 1
1148 1 74 GLU HA 1 75 ARG HA . . 4.660 4.399 4.387 4.446 . 0 0 "[ . 1 . 2]" 1
1149 1 71 VAL MG1 1 74 GLU HA . . 5.500 3.903 3.257 4.619 . 0 0 "[ . 1 . 2]" 1
1150 1 97 ASN HB2 1 98 GLU HA . . 5.500 5.059 4.681 5.611 0.111 8 0 "[ . 1 . 2]" 1
1151 1 97 ASN HB3 1 98 GLU HA . . 5.500 4.387 4.201 4.613 . 0 0 "[ . 1 . 2]" 1
1152 1 98 GLU HA 1 98 GLU HG3 . . 4.070 3.724 2.758 4.202 0.132 2 0 "[ . 1 . 2]" 1
1153 1 98 GLU HA 1 99 PHE QD . . 5.500 5.209 5.035 5.350 . 0 0 "[ . 1 . 2]" 1
1154 1 8 ARG HA 1 8 ARG QD . . 4.240 3.516 1.994 4.298 0.058 7 0 "[ . 1 . 2]" 1
1155 1 8 ARG HA 1 10 VAL H . . 3.970 3.635 3.413 3.975 0.005 6 0 "[ . 1 . 2]" 1
1156 1 9 GLN HA 1 9 GLN QG . . 3.630 2.556 2.287 3.437 . 0 0 "[ . 1 . 2]" 1
1157 1 48 TYR QE 1 94 PRO HG2 . . 5.190 4.972 4.694 5.184 . 0 0 "[ . 1 . 2]" 1
1158 1 94 PRO HG2 1 101 GLY HA3 . . 4.150 2.023 1.986 2.224 . 0 0 "[ . 1 . 2]" 1
1159 1 19 VAL MG2 1 94 PRO HG2 . . 4.070 3.796 3.416 4.056 . 0 0 "[ . 1 . 2]" 1
1160 1 94 PRO HG2 1 101 GLY H . . 4.890 3.178 2.676 3.833 . 0 0 "[ . 1 . 2]" 1
1161 1 45 ILE MD 1 94 PRO HG2 . . 4.360 4.067 3.913 4.359 . 0 0 "[ . 1 . 2]" 1
1162 1 71 VAL HA 1 72 PRO QG . . 3.780 3.767 3.766 3.768 . 0 0 "[ . 1 . 2]" 1
1163 1 46 GLN HA 1 72 PRO QG . . 4.000 3.816 3.575 4.004 0.004 14 0 "[ . 1 . 2]" 1
1164 1 45 ILE MG 1 72 PRO QG . . 4.170 3.601 3.104 3.973 . 0 0 "[ . 1 . 2]" 1
1165 1 45 ILE MD 1 94 PRO HG3 . . 4.600 3.892 3.595 4.196 . 0 0 "[ . 1 . 2]" 1
1166 1 48 TYR QE 1 94 PRO HG3 . . 4.150 3.883 3.593 4.141 . 0 0 "[ . 1 . 2]" 1
1167 1 20 ARG H 1 20 ARG HG2 . . 4.770 4.156 3.430 4.742 . 0 0 "[ . 1 . 2]" 1
1168 1 18 LEU H 1 18 LEU HG . . 4.930 4.597 4.473 4.820 . 0 0 "[ . 1 . 2]" 1
1169 1 20 ARG H 1 20 ARG HG3 . . 4.770 3.767 2.522 4.673 . 0 0 "[ . 1 . 2]" 1
1170 1 18 LEU HA 1 18 LEU HG . . 4.040 2.609 2.300 3.716 . 0 0 "[ . 1 . 2]" 1
1171 1 21 LEU MD1 1 92 VAL MG1 . . 4.950 3.965 3.202 4.817 . 0 0 "[ . 1 . 2]" 1
1172 1 88 TYR HA 1 90 ILE MD . . 5.500 4.165 3.678 5.123 . 0 0 "[ . 1 . 2]" 1
1173 1 88 TYR HA 1 109 VAL MG1 . . 4.890 3.899 3.804 3.994 . 0 0 "[ . 1 . 2]" 1
1174 1 95 TYR HA 1 100 GLN HA . . 3.830 2.445 2.162 2.755 . 0 0 "[ . 1 . 2]" 1
1175 1 14 LEU HA 1 14 LEU HG . . 3.870 2.999 2.882 3.191 . 0 0 "[ . 1 . 2]" 1
1176 1 58 LEU H 1 58 LEU HG . . 4.960 4.644 4.485 4.777 . 0 0 "[ . 1 . 2]" 1
1177 1 110 ARG H 1 110 ARG HG2 . . 5.320 4.561 4.500 4.622 . 0 0 "[ . 1 . 2]" 1
1178 1 87 THR HA 1 110 ARG HG2 . . 4.660 4.308 3.985 4.651 . 0 0 "[ . 1 . 2]" 1
1179 1 110 ARG HA 1 110 ARG HG2 . . 3.880 2.755 2.595 2.999 . 0 0 "[ . 1 . 2]" 1
1180 1 85 GLY HA2 1 110 ARG HG2 . . 5.050 4.625 4.162 4.984 . 0 0 "[ . 1 . 2]" 1
1181 1 87 THR MG 1 110 ARG HG2 . . 4.780 4.622 4.313 4.784 0.004 13 0 "[ . 1 . 2]" 1
1182 1 110 ARG H 1 110 ARG HG3 . . 4.660 4.401 4.289 4.524 . 0 0 "[ . 1 . 2]" 1
1183 1 110 ARG HA 1 110 ARG HG3 . . 3.830 2.516 2.325 2.728 . 0 0 "[ . 1 . 2]" 1
1184 1 87 THR HA 1 110 ARG HG3 . . 4.490 3.430 3.111 3.830 . 0 0 "[ . 1 . 2]" 1
1185 1 84 LYS HA 1 86 VAL H . . 4.660 4.107 3.737 4.341 . 0 0 "[ . 1 . 2]" 1
1186 1 84 LYS HA 1 111 THR HG1 . . 3.780 3.109 2.173 3.755 . 0 0 "[ . 1 . 2]" 1
1187 1 58 LEU HA 1 58 LEU HG . . 3.940 3.675 3.616 3.738 . 0 0 "[ . 1 . 2]" 1
1188 1 14 LEU H 1 14 LEU HG . . 5.220 4.480 4.359 4.550 . 0 0 "[ . 1 . 2]" 1
1189 1 14 LEU HG 1 15 GLY H . . 4.890 3.075 2.667 3.788 . 0 0 "[ . 1 . 2]" 1
1190 1 87 THR MG 1 110 ARG HG3 . . 4.000 3.371 3.125 3.690 . 0 0 "[ . 1 . 2]" 1
1191 1 44 PHE HA 1 44 PHE QD . . 3.830 3.707 3.685 3.726 . 0 0 "[ . 1 . 2]" 1
1192 1 27 LEU HA 1 27 LEU HG . . 4.020 3.230 3.064 3.836 . 0 0 "[ . 1 . 2]" 1
1193 1 84 LYS HA 1 111 THR MG . . 4.070 3.909 3.682 4.073 0.003 11 0 "[ . 1 . 2]" 1
1194 1 84 LYS HA 1 111 THR HB . . 4.150 2.935 2.664 3.206 . 0 0 "[ . 1 . 2]" 1
1195 1 49 ARG QG 1 95 TYR QD . . 4.360 4.168 3.883 4.346 . 0 0 "[ . 1 . 2]" 1
1196 1 49 ARG QG 1 95 TYR QE . . 4.890 4.239 3.542 4.839 . 0 0 "[ . 1 . 2]" 1
1197 1 79 LEU HA 1 79 LEU HG . . 4.150 3.089 2.981 3.195 . 0 0 "[ . 1 . 2]" 1
1198 1 26 VAL HA 1 27 LEU HA . . 4.830 4.437 4.388 4.572 . 0 0 "[ . 1 . 2]" 1
1199 1 45 ILE HA 1 46 GLN HA . . 5.170 4.381 4.356 4.444 . 0 0 "[ . 1 . 2]" 1
1200 1 85 GLY H 1 113 GLU HA . . 4.660 3.702 3.230 4.186 . 0 0 "[ . 1 . 2]" 1
1201 1 85 GLY HA3 1 113 GLU HA . . 4.680 3.904 2.735 4.678 . 0 0 "[ . 1 . 2]" 1
1202 1 114 GLU HA 1 115 SER QB . . 5.240 4.320 4.010 4.848 . 0 0 "[ . 1 . 2]" 1
1203 1 85 GLY HA2 1 113 GLU HA . . 4.890 3.890 2.817 4.544 . 0 0 "[ . 1 . 2]" 1
1204 1 27 LEU H 1 27 LEU HG . . 4.070 2.505 2.097 3.815 . 0 0 "[ . 1 . 2]" 1
1205 1 14 LEU HG 1 101 GLY HA2 . . 4.190 2.038 1.974 2.225 . 0 0 "[ . 1 . 2]" 1
1206 1 27 LEU HG 1 31 THR MG . . 5.500 5.118 4.484 5.462 . 0 0 "[ . 1 . 2]" 1
1207 1 40 ARG H 1 40 ARG HG3 . . 4.410 3.209 2.774 3.761 . 0 0 "[ . 1 . 2]" 1
1208 1 40 ARG HA 1 40 ARG HG3 . . 4.240 2.961 2.353 3.907 . 0 0 "[ . 1 . 2]" 1
1209 1 75 ARG H 1 75 ARG HG2 . . 4.890 3.516 1.992 4.704 . 0 0 "[ . 1 . 2]" 1
1210 1 75 ARG H 1 75 ARG HG3 . . 4.890 3.667 2.979 4.230 . 0 0 "[ . 1 . 2]" 1
1211 1 113 GLU HA 1 113 GLU QG . . 3.740 2.738 2.196 3.440 . 0 0 "[ . 1 . 2]" 1
1212 1 67 LEU H 1 67 LEU MD2 . . 4.890 4.321 4.169 4.435 . 0 0 "[ . 1 . 2]" 1
1213 1 67 LEU MD2 1 79 LEU H . . 4.890 4.309 4.054 4.729 . 0 0 "[ . 1 . 2]" 1
1214 1 67 LEU MD2 1 68 ASP H . . 5.050 5.000 4.908 5.061 0.011 18 0 "[ . 1 . 2]" 1
1215 1 67 LEU MD2 1 78 VAL H . . 4.240 3.017 2.560 3.472 . 0 0 "[ . 1 . 2]" 1
1216 1 67 LEU MD2 1 69 ALA HA . . 4.660 4.181 3.744 4.631 . 0 0 "[ . 1 . 2]" 1
1217 1 27 LEU H 1 27 LEU MD1 . . 3.940 3.515 3.329 3.648 . 0 0 "[ . 1 . 2]" 1
1218 1 27 LEU HA 1 27 LEU MD1 . . 3.830 3.641 1.994 3.961 0.131 7 0 "[ . 1 . 2]" 1
1219 1 27 LEU MD1 1 33 GLN HB3 . . 4.290 3.200 2.627 3.597 . 0 0 "[ . 1 . 2]" 1
1220 1 27 LEU MD1 1 33 GLN HA . . 5.500 3.918 3.395 5.540 0.040 10 0 "[ . 1 . 2]" 1
1221 1 67 LEU MD2 1 80 VAL H . . 4.770 4.431 4.162 4.737 . 0 0 "[ . 1 . 2]" 1
1222 1 52 TYR QE 1 67 LEU MD2 . . 4.360 4.197 3.913 4.361 0.001 18 0 "[ . 1 . 2]" 1
1223 1 67 LEU HA 1 67 LEU MD2 . . 4.390 3.935 3.882 3.997 . 0 0 "[ . 1 . 2]" 1
1224 1 67 LEU MD2 1 77 ALA HA . . 4.750 3.822 3.073 4.343 . 0 0 "[ . 1 . 2]" 1
1225 1 67 LEU MD2 1 79 LEU HA . . 3.780 3.122 2.796 3.449 . 0 0 "[ . 1 . 2]" 1
1226 1 50 VAL HB 1 67 LEU MD2 . . 4.070 2.870 2.150 3.341 . 0 0 "[ . 1 . 2]" 1
1227 1 67 LEU HB2 1 67 LEU MD2 . . 3.300 2.565 2.436 2.687 . 0 0 "[ . 1 . 2]" 1
1228 1 67 LEU HB3 1 67 LEU MD2 . . 3.300 2.141 2.002 2.258 . 0 0 "[ . 1 . 2]" 1
1229 1 50 VAL MG2 1 67 LEU MD2 . . 3.560 3.145 2.618 3.440 . 0 0 "[ . 1 . 2]" 1
1230 1 107 LYS H 1 107 LYS QG . . 4.660 2.736 2.479 3.100 . 0 0 "[ . 1 . 2]" 1
1231 1 21 LEU HA 1 36 TRP HA . . 3.700 2.619 2.111 2.929 . 0 0 "[ . 1 . 2]" 1
1232 1 35 THR MG 1 36 TRP HA . . 4.660 3.537 3.305 3.966 . 0 0 "[ . 1 . 2]" 1
1233 1 19 VAL MG1 1 36 TRP HA . . 4.490 4.162 3.829 4.482 . 0 0 "[ . 1 . 2]" 1
1234 1 39 ASP HA 1 40 ARG HA . . 4.890 4.545 4.537 4.560 . 0 0 "[ . 1 . 2]" 1
1235 1 30 THR MG 1 83 LYS HA . . 5.020 4.560 4.243 5.021 0.001 2 0 "[ . 1 . 2]" 1
1236 1 59 GLN HA 1 60 ALA MB . . 5.500 4.743 4.598 4.919 . 0 0 "[ . 1 . 2]" 1
1237 1 54 GLN HA 1 56 SER H . . 4.490 4.146 3.908 4.357 . 0 0 "[ . 1 . 2]" 1
1238 1 54 GLN HA 1 88 TYR QD . . 4.390 2.971 2.646 3.431 . 0 0 "[ . 1 . 2]" 1
1239 1 54 GLN HA 1 88 TYR QE . . 4.790 3.162 2.865 3.483 . 0 0 "[ . 1 . 2]" 1
1240 1 54 GLN HA 1 88 TYR HA . . 3.590 2.873 2.540 3.025 . 0 0 "[ . 1 . 2]" 1
1241 1 53 ARG HA 1 54 GLN HA . . 4.890 4.327 4.309 4.373 . 0 0 "[ . 1 . 2]" 1
1242 1 54 GLN HA 1 54 GLN HG3 . . 3.700 2.361 2.149 2.792 . 0 0 "[ . 1 . 2]" 1
1243 1 53 ARG HB2 1 54 GLN HA . . 5.500 4.899 4.753 4.974 . 0 0 "[ . 1 . 2]" 1
1244 1 54 GLN HA 1 60 ALA MB . . 5.500 4.798 4.014 5.399 . 0 0 "[ . 1 . 2]" 1
1245 1 24 PRO HD2 1 107 LYS QG . . 4.530 3.784 3.497 4.110 . 0 0 "[ . 1 . 2]" 1
1246 1 24 PRO HD3 1 107 LYS QG . . 4.530 2.752 2.435 3.017 . 0 0 "[ . 1 . 2]" 1
1247 1 21 LEU H 1 21 LEU MD2 . . 4.560 4.262 4.156 4.418 . 0 0 "[ . 1 . 2]" 1
1248 1 21 LEU MD2 1 36 TRP HB3 . . 4.490 4.163 2.788 4.495 0.005 6 0 "[ . 1 . 2]" 1
1249 1 21 LEU MD2 1 92 VAL MG2 . . 3.250 2.739 2.076 3.044 . 0 0 "[ . 1 . 2]" 1
1250 1 21 LEU MD2 1 92 VAL MG1 . . 4.950 4.779 4.429 4.975 0.025 10 0 "[ . 1 . 2]" 1
1251 1 32 VAL H 1 82 LEU MD1 . . 3.620 2.474 2.024 3.005 . 0 0 "[ . 1 . 2]" 1
1252 1 82 LEU MD1 1 88 TYR QD . . 4.410 4.065 3.823 4.320 . 0 0 "[ . 1 . 2]" 1
1253 1 31 THR HA 1 82 LEU MD1 . . 4.240 2.424 1.949 2.831 . 0 0 "[ . 1 . 2]" 1
1254 1 79 LEU HA 1 82 LEU MD1 . . 4.490 4.336 4.117 4.493 0.003 2 0 "[ . 1 . 2]" 1
1255 1 82 LEU HA 1 82 LEU MD1 . . 4.240 3.895 3.825 3.947 . 0 0 "[ . 1 . 2]" 1
1256 1 32 VAL HB 1 82 LEU MD1 . . 3.360 2.675 2.256 2.913 . 0 0 "[ . 1 . 2]" 1
1257 1 82 LEU HB3 1 82 LEU MD1 . . 3.390 2.426 2.229 2.544 . 0 0 "[ . 1 . 2]" 1
1258 1 82 LEU HB2 1 82 LEU MD1 . . 3.070 2.251 2.120 2.432 . 0 0 "[ . 1 . 2]" 1
1259 1 79 LEU HB2 1 82 LEU MD1 . . 3.880 2.165 1.972 2.486 . 0 0 "[ . 1 . 2]" 1
1260 1 80 VAL HA 1 82 LEU MD1 . . 4.660 3.720 3.479 4.037 . 0 0 "[ . 1 . 2]" 1
1261 1 30 THR HA 1 82 LEU MD1 . . 4.660 4.160 3.541 4.587 . 0 0 "[ . 1 . 2]" 1
1262 1 40 ARG HA 1 40 ARG HG2 . . 4.240 2.884 2.493 3.635 . 0 0 "[ . 1 . 2]" 1
1263 1 96 PHE HA 1 97 ASN HA . . 4.670 4.548 4.542 4.556 . 0 0 "[ . 1 . 2]" 1
1264 1 46 GLN HB3 1 97 ASN HA . . 5.500 5.300 5.111 5.509 0.009 3 0 "[ . 1 . 2]" 1
1265 1 97 ASN HA 1 98 GLU HB3 . . 5.500 5.172 5.015 5.449 . 0 0 "[ . 1 . 2]" 1
1266 1 83 LYS HA 1 83 LYS HG2 . . 4.070 2.726 2.177 3.796 . 0 0 "[ . 1 . 2]" 1
1267 1 83 LYS HA 1 83 LYS HG3 . . 4.070 3.097 2.231 3.675 . 0 0 "[ . 1 . 2]" 1
1268 1 67 LEU HA 1 67 LEU MD1 . . 3.610 2.363 2.140 2.504 . 0 0 "[ . 1 . 2]" 1
1269 1 52 TYR HA 1 91 LYS H . . 4.360 4.113 3.726 4.347 . 0 0 "[ . 1 . 2]" 1
1270 1 52 TYR HA 1 90 ILE HA . . 3.740 2.566 2.367 2.713 . 0 0 "[ . 1 . 2]" 1
1271 1 52 TYR HA 1 90 ILE MD . . 5.220 4.210 3.879 4.632 . 0 0 "[ . 1 . 2]" 1
1272 1 52 TYR HA 1 52 TYR QD . . 4.070 3.711 3.654 3.739 . 0 0 "[ . 1 . 2]" 1
1273 1 52 TYR HA 1 90 ILE HG12 . . 4.890 3.642 2.906 4.144 . 0 0 "[ . 1 . 2]" 1
1274 1 102 MET HA 1 103 ASP H . . 3.090 2.197 2.139 2.381 . 0 0 "[ . 1 . 2]" 1
1275 1 68 ASP HB2 1 70 LYS QG . . 4.240 2.640 2.204 4.016 . 0 0 "[ . 1 . 2]" 1
1276 1 68 ASP HB3 1 70 LYS QG . . 4.240 3.808 2.648 4.138 . 0 0 "[ . 1 . 2]" 1
1277 1 70 LYS HA 1 70 LYS QG . . 3.700 2.426 2.176 2.817 . 0 0 "[ . 1 . 2]" 1
1278 1 30 THR MG 1 84 LYS QG . . 4.250 3.018 1.884 4.226 . 0 0 "[ . 1 . 2]" 1
1279 1 14 LEU MD1 1 100 GLN HA . . 4.920 3.161 2.776 3.670 . 0 0 "[ . 1 . 2]" 1
1280 1 14 LEU MD2 1 100 GLN HA . . 4.920 4.122 3.063 4.529 . 0 0 "[ . 1 . 2]" 1
1281 1 14 LEU MD1 1 101 GLY HA2 . . 4.810 2.543 2.198 3.346 . 0 0 "[ . 1 . 2]" 1
1282 1 14 LEU MD2 1 101 GLY HA2 . . 4.810 2.403 2.003 2.973 . 0 0 "[ . 1 . 2]" 1
1283 1 52 TYR HA 1 90 ILE HG13 . . 4.890 2.838 2.353 3.763 . 0 0 "[ . 1 . 2]" 1
1284 1 33 GLN HA 1 78 VAL HA . . 4.240 2.675 2.319 3.139 . 0 0 "[ . 1 . 2]" 1
1285 1 12 LYS H 1 12 LYS HG2 . . 4.950 4.641 4.463 4.906 . 0 0 "[ . 1 . 2]" 1
1286 1 12 LYS HA 1 12 LYS HG2 . . 3.880 3.071 2.233 3.821 . 0 0 "[ . 1 . 2]" 1
1287 1 84 LYS HA 1 84 LYS QG . . 4.000 2.824 2.364 3.442 . 0 0 "[ . 1 . 2]" 1
1288 1 12 LYS HA 1 12 LYS HG3 . . 3.880 2.941 2.373 3.600 . 0 0 "[ . 1 . 2]" 1
1289 1 12 LYS H 1 12 LYS HG3 . . 4.950 4.570 4.389 4.810 . 0 0 "[ . 1 . 2]" 1
1290 1 67 LEU H 1 67 LEU MD1 . . 4.890 4.386 4.223 4.530 . 0 0 "[ . 1 . 2]" 1
1291 1 67 LEU MD1 1 68 ASP H . . 3.790 3.670 3.351 3.791 0.001 15 0 "[ . 1 . 2]" 1
1292 1 67 LEU MD1 1 78 VAL H . . 5.500 4.832 4.521 5.299 . 0 0 "[ . 1 . 2]" 1
1293 1 67 LEU MD1 1 79 LEU HA . . 4.370 3.721 3.217 4.110 . 0 0 "[ . 1 . 2]" 1
1294 1 50 VAL HB 1 67 LEU MD1 . . 5.040 4.767 4.470 5.041 0.001 4 0 "[ . 1 . 2]" 1
1295 1 58 LEU H 1 58 LEU MD1 . . 4.660 4.225 4.136 4.301 . 0 0 "[ . 1 . 2]" 1
1296 1 58 LEU HA 1 58 LEU MD1 . . 3.940 2.752 2.481 2.946 . 0 0 "[ . 1 . 2]" 1
1297 1 58 LEU HB3 1 58 LEU MD1 . . 3.020 2.281 2.197 2.388 . 0 0 "[ . 1 . 2]" 1
1298 1 53 ARG HG2 1 89 GLU QB . . 4.240 3.574 3.114 4.048 . 0 0 "[ . 1 . 2]" 1
1299 1 79 LEU H 1 79 LEU MD1 . . 4.070 3.518 3.278 3.777 . 0 0 "[ . 1 . 2]" 1
1300 1 32 VAL H 1 79 LEU MD1 . . 4.660 4.468 4.144 4.662 0.002 10 0 "[ . 1 . 2]" 1
1301 1 52 TYR QD 1 79 LEU MD1 . . 4.070 3.008 2.720 3.291 . 0 0 "[ . 1 . 2]" 1
1302 1 52 TYR QE 1 79 LEU MD1 . . 4.660 4.085 3.711 4.372 . 0 0 "[ . 1 . 2]" 1
1303 1 79 LEU HA 1 79 LEU MD1 . . 4.360 3.952 3.928 3.975 . 0 0 "[ . 1 . 2]" 1
1304 1 52 TYR HB3 1 79 LEU MD1 . . 4.150 2.291 1.969 2.712 . 0 0 "[ . 1 . 2]" 1
1305 1 52 TYR HB2 1 79 LEU MD1 . . 4.190 2.667 2.351 3.035 . 0 0 "[ . 1 . 2]" 1
1306 1 34 VAL HB 1 79 LEU MD1 . . 4.660 4.292 3.997 4.581 . 0 0 "[ . 1 . 2]" 1
1307 1 32 VAL HB 1 79 LEU MD1 . . 3.640 3.186 2.859 3.454 . 0 0 "[ . 1 . 2]" 1
1308 1 34 VAL MG2 1 79 LEU MD1 . . 4.330 2.210 1.921 2.441 . 0 0 "[ . 1 . 2]" 1
1309 1 79 LEU MD1 1 90 ILE MG . . 3.530 2.238 1.916 3.046 . 0 0 "[ . 1 . 2]" 1
1310 1 18 LEU HA 1 18 LEU MD2 . . 3.820 3.050 2.031 3.832 0.012 20 0 "[ . 1 . 2]" 1
1311 1 18 LEU MD2 1 39 ASP QB . . 5.440 4.537 3.594 5.458 0.018 15 0 "[ . 1 . 2]" 1
1312 1 18 LEU MD2 1 102 MET ME . . 4.580 4.060 2.399 4.586 0.006 16 0 "[ . 1 . 2]" 1
1313 1 82 LEU HA 1 83 LYS QB . . 4.660 4.221 4.067 4.475 . 0 0 "[ . 1 . 2]" 1
1314 1 18 LEU HA 1 18 LEU MD1 . . 3.820 3.229 2.107 3.783 . 0 0 "[ . 1 . 2]" 1
1315 1 18 LEU MD1 1 39 ASP QB . . 5.440 4.769 4.100 5.450 0.010 16 0 "[ . 1 . 2]" 1
1316 1 18 LEU MD1 1 102 MET ME . . 4.580 3.348 2.205 4.499 . 0 0 "[ . 1 . 2]" 1
1317 1 49 ARG HA 1 68 ASP HA . . 3.780 2.871 2.579 3.107 . 0 0 "[ . 1 . 2]" 1
1318 1 68 ASP HA 1 69 ALA MB . . 4.240 3.988 3.934 4.036 . 0 0 "[ . 1 . 2]" 1
1319 1 109 VAL MG1 1 110 ARG HA . . 4.890 4.188 3.952 4.340 . 0 0 "[ . 1 . 2]" 1
1320 1 87 THR HA 1 110 ARG HA . . 3.430 2.111 2.011 2.193 . 0 0 "[ . 1 . 2]" 1
1321 1 49 ARG HB2 1 68 ASP HA . . 4.910 4.580 4.136 4.835 . 0 0 "[ . 1 . 2]" 1
1322 1 67 LEU HG 1 68 ASP HA . . 5.400 4.620 4.250 4.932 . 0 0 "[ . 1 . 2]" 1
1323 1 80 VAL HA 1 81 ASN HA . . 4.630 4.597 4.529 4.638 0.008 10 0 "[ . 1 . 2]" 1
1324 1 30 THR HB 1 81 ASN HA . . 4.250 4.013 3.625 4.251 0.001 6 0 "[ . 1 . 2]" 1
1325 1 80 VAL HB 1 81 ASN HA . . 4.360 4.171 4.061 4.304 . 0 0 "[ . 1 . 2]" 1
1326 1 30 THR MG 1 81 ASN HA . . 4.780 4.604 4.322 4.754 . 0 0 "[ . 1 . 2]" 1
1327 1 51 MET HA 1 52 TYR HB3 . . 5.100 4.449 4.347 4.615 . 0 0 "[ . 1 . 2]" 1
1328 1 51 MET HA 1 64 TRP HB3 . . 5.500 5.092 4.766 5.339 . 0 0 "[ . 1 . 2]" 1
1329 1 79 LEU HA 1 80 VAL MG1 . . 4.160 3.838 3.711 3.953 . 0 0 "[ . 1 . 2]" 1
1330 1 79 LEU HA 1 82 LEU MD2 . . 4.890 4.387 4.023 4.636 . 0 0 "[ . 1 . 2]" 1
1331 1 58 LEU HA 1 58 LEU MD2 . . 3.100 2.006 1.902 2.168 . 0 0 "[ . 1 . 2]" 1
1332 1 51 MET HA 1 66 ASN HA . . 3.660 2.266 2.009 2.692 . 0 0 "[ . 1 . 2]" 1
1333 1 65 GLN HB3 1 66 ASN HA . . 5.090 4.201 3.972 4.449 . 0 0 "[ . 1 . 2]" 1
1334 1 49 ARG QG 1 66 ASN HA . . 4.710 3.403 2.992 3.781 . 0 0 "[ . 1 . 2]" 1
1335 1 77 ALA H 1 77 ALA MB . . 3.480 2.547 2.296 2.790 . 0 0 "[ . 1 . 2]" 1
1336 1 77 ALA MB 1 78 VAL H . . 3.230 2.533 2.161 3.196 . 0 0 "[ . 1 . 2]" 1
1337 1 36 TRP HZ3 1 77 ALA MB . . 3.320 2.559 2.142 2.903 . 0 0 "[ . 1 . 2]" 1
1338 1 76 SER HA 1 77 ALA MB . . 4.240 3.888 3.726 4.056 . 0 0 "[ . 1 . 2]" 1
1339 1 50 VAL HB 1 77 ALA MB . . 4.490 3.434 2.901 3.918 . 0 0 "[ . 1 . 2]" 1
1340 1 34 VAL HB 1 77 ALA MB . . 3.700 2.968 2.614 3.613 . 0 0 "[ . 1 . 2]" 1
1341 1 69 ALA MB 1 77 ALA MB . . 3.350 3.216 2.956 3.358 0.008 6 0 "[ . 1 . 2]" 1
1342 1 67 LEU MD1 1 77 ALA MB . . 4.420 4.258 4.077 4.422 0.002 12 0 "[ . 1 . 2]" 1
1343 1 67 LEU MD2 1 77 ALA MB . . 3.030 2.039 1.817 2.245 . 0 0 "[ . 1 . 2]" 1
1344 1 50 VAL MG1 1 77 ALA MB . . 3.560 2.897 2.095 3.386 . 0 0 "[ . 1 . 2]" 1
1345 1 50 VAL MG2 1 77 ALA MB . . 3.080 2.159 1.850 2.736 . 0 0 "[ . 1 . 2]" 1
1346 1 77 ALA MB 1 79 LEU MD2 . . 4.070 3.360 2.952 3.855 . 0 0 "[ . 1 . 2]" 1
1347 1 88 TYR QD 1 111 THR MG . . 3.450 2.555 2.114 3.101 . 0 0 "[ . 1 . 2]" 1
1348 1 111 THR HG1 1 111 THR MG . . 3.430 2.366 1.960 2.728 . 0 0 "[ . 1 . 2]" 1
1349 1 111 THR HA 1 111 THR MG . . 3.160 2.313 2.188 2.416 . 0 0 "[ . 1 . 2]" 1
1350 1 82 LEU MD1 1 111 THR MG . . 3.330 3.020 2.771 3.175 . 0 0 "[ . 1 . 2]" 1
1351 1 110 ARG HA 1 111 THR MG . . 4.490 3.928 3.729 4.268 . 0 0 "[ . 1 . 2]" 1
1352 1 31 THR MG 1 80 VAL HA . . 3.180 2.388 2.052 2.641 . 0 0 "[ . 1 . 2]" 1
1353 1 31 THR MG 1 81 ASN H . . 4.550 4.393 4.073 4.552 0.002 10 0 "[ . 1 . 2]" 1
1354 1 31 THR MG 1 32 VAL H . . 3.480 2.303 2.004 2.672 . 0 0 "[ . 1 . 2]" 1
1355 1 31 THR H 1 31 THR MG . . 4.120 4.006 3.970 4.053 . 0 0 "[ . 1 . 2]" 1
1356 1 31 THR HA 1 31 THR MG . . 3.220 2.244 2.073 2.366 . 0 0 "[ . 1 . 2]" 1
1357 1 32 VAL H 1 32 VAL MG2 . . 3.780 2.946 2.749 3.137 . 0 0 "[ . 1 . 2]" 1
1358 1 32 VAL MG2 1 88 TYR QD . . 4.890 4.547 4.179 4.796 . 0 0 "[ . 1 . 2]" 1
1359 1 32 VAL MG2 1 33 GLN H . . 4.360 3.906 3.743 4.009 . 0 0 "[ . 1 . 2]" 1
1360 1 26 VAL HA 1 32 VAL MG2 . . 3.480 2.481 2.147 2.885 . 0 0 "[ . 1 . 2]" 1
1361 1 26 VAL HB 1 32 VAL MG2 . . 4.930 2.971 2.575 3.345 . 0 0 "[ . 1 . 2]" 1
1362 1 32 VAL MG2 1 111 THR MG . . 3.680 2.413 2.138 2.709 . 0 0 "[ . 1 . 2]" 1
1363 1 32 VAL MG2 1 82 LEU MD1 . . 3.080 2.089 1.763 2.510 . 0 0 "[ . 1 . 2]" 1
1364 1 67 LEU H 1 79 LEU MD2 . . 4.890 4.317 3.987 4.724 . 0 0 "[ . 1 . 2]" 1
1365 1 79 LEU H 1 79 LEU MD2 . . 4.000 3.611 3.380 3.804 . 0 0 "[ . 1 . 2]" 1
1366 1 79 LEU MD2 1 80 VAL H . . 3.940 3.888 3.673 3.941 0.001 13 0 "[ . 1 . 2]" 1
1367 1 79 LEU HA 1 79 LEU MD2 . . 3.120 2.223 2.046 2.505 . 0 0 "[ . 1 . 2]" 1
1368 1 52 TYR HB3 1 79 LEU MD2 . . 4.660 2.959 2.578 3.418 . 0 0 "[ . 1 . 2]" 1
1369 1 52 TYR HB2 1 79 LEU MD2 . . 4.890 3.805 3.389 4.210 . 0 0 "[ . 1 . 2]" 1
1370 1 50 VAL HB 1 79 LEU MD2 . . 3.940 3.156 2.803 3.560 . 0 0 "[ . 1 . 2]" 1
1371 1 34 VAL HB 1 79 LEU MD2 . . 5.240 4.819 4.361 5.153 . 0 0 "[ . 1 . 2]" 1
1372 1 67 LEU HB2 1 79 LEU MD2 . . 4.150 2.824 2.525 3.090 . 0 0 "[ . 1 . 2]" 1
1373 1 79 LEU HB3 1 79 LEU MD2 . . 3.410 2.262 2.100 2.382 . 0 0 "[ . 1 . 2]" 1
1374 1 67 LEU MD1 1 79 LEU MD2 . . 3.890 3.133 2.759 3.510 . 0 0 "[ . 1 . 2]" 1
1375 1 67 LEU MD2 1 79 LEU MD2 . . 3.080 2.026 1.761 2.283 . 0 0 "[ . 1 . 2]" 1
1376 1 50 VAL MG1 1 79 LEU MD2 . . 3.150 2.246 1.935 2.838 . 0 0 "[ . 1 . 2]" 1
1377 1 79 LEU HB2 1 79 LEU MD2 . . 3.410 3.167 3.130 3.188 . 0 0 "[ . 1 . 2]" 1
1378 1 30 THR HA 1 111 THR MG . . 5.210 4.510 4.155 4.812 . 0 0 "[ . 1 . 2]" 1
1379 1 91 LYS H 1 92 VAL MG2 . . 4.630 4.441 3.964 4.640 0.010 17 0 "[ . 1 . 2]" 1
1380 1 36 TRP HZ3 1 92 VAL MG2 . . 4.740 3.239 2.896 3.669 . 0 0 "[ . 1 . 2]" 1
1381 1 36 TRP HB3 1 92 VAL MG2 . . 4.490 2.398 2.011 2.970 . 0 0 "[ . 1 . 2]" 1
1382 1 34 VAL HB 1 92 VAL MG2 . . 4.730 4.396 3.829 4.737 0.007 18 0 "[ . 1 . 2]" 1
1383 1 48 TYR HB3 1 92 VAL MG2 . . 5.230 4.425 4.054 4.827 . 0 0 "[ . 1 . 2]" 1
1384 1 21 LEU HB2 1 92 VAL MG2 . . 4.360 3.627 2.161 4.363 0.003 6 0 "[ . 1 . 2]" 1
1385 1 55 THR HA 1 60 ALA HA . . 4.150 3.705 3.242 4.149 . 0 0 "[ . 1 . 2]" 1
1386 1 54 GLN HG2 1 60 ALA HA . . 4.070 3.445 3.105 3.880 . 0 0 "[ . 1 . 2]" 1
1387 1 54 GLN QB 1 60 ALA HA . . 4.000 2.119 1.977 2.508 . 0 0 "[ . 1 . 2]" 1
1388 1 54 GLN H 1 60 ALA HA . . 5.490 3.847 3.465 4.265 . 0 0 "[ . 1 . 2]" 1
1389 1 55 THR H 1 60 ALA HA . . 5.500 4.124 3.735 4.562 . 0 0 "[ . 1 . 2]" 1
1390 1 36 TRP HZ2 1 75 ARG HA . . 3.900 2.515 2.325 2.761 . 0 0 "[ . 1 . 2]" 1
1391 1 17 VAL MG1 1 18 LEU H . . 4.070 3.051 2.277 3.916 . 0 0 "[ . 1 . 2]" 1
1392 1 17 VAL H 1 17 VAL MG1 . . 4.070 3.168 1.933 3.835 . 0 0 "[ . 1 . 2]" 1
1393 1 17 VAL MG1 1 42 PRO HD2 . . 4.430 3.861 3.280 4.442 0.012 14 0 "[ . 1 . 2]" 1
1394 1 53 ARG HE 1 55 THR MG . . 4.150 3.457 2.963 3.971 . 0 0 "[ . 1 . 2]" 1
1395 1 55 THR MG 1 88 TYR HA . . 4.070 2.895 2.410 3.398 . 0 0 "[ . 1 . 2]" 1
1396 1 55 THR MG 1 89 GLU HA . . 4.660 3.937 3.604 4.258 . 0 0 "[ . 1 . 2]" 1
1397 1 55 THR HA 1 55 THR MG . . 3.250 2.293 2.135 2.468 . 0 0 "[ . 1 . 2]" 1
1398 1 54 GLN HA 1 55 THR MG . . 4.000 3.657 3.387 3.900 . 0 0 "[ . 1 . 2]" 1
1399 1 55 THR MG 1 89 GLU QB . . 3.120 2.330 1.924 2.740 . 0 0 "[ . 1 . 2]" 1
1400 1 92 VAL HA 1 92 VAL MG2 . . 3.530 2.372 2.259 2.509 . 0 0 "[ . 1 . 2]" 1
1401 1 91 LYS HA 1 92 VAL MG2 . . 4.360 3.535 3.023 3.860 . 0 0 "[ . 1 . 2]" 1
1402 1 21 LEU MD1 1 92 VAL MG2 . . 3.250 2.028 1.732 2.939 . 0 0 "[ . 1 . 2]" 1
1403 1 50 VAL MG1 1 92 VAL MG2 . . 3.510 3.011 2.434 3.503 . 0 0 "[ . 1 . 2]" 1
1404 1 50 VAL MG2 1 92 VAL MG2 . . 3.150 2.658 1.948 3.148 . 0 0 "[ . 1 . 2]" 1
1405 1 26 VAL MG1 1 27 LEU H . . 4.250 4.216 4.070 4.276 0.026 19 0 "[ . 1 . 2]" 1
1406 1 26 VAL MG1 1 112 THR H . . 4.240 3.844 3.551 4.123 . 0 0 "[ . 1 . 2]" 1
1407 1 92 VAL HA 1 93 ARG HA . . 5.250 4.440 4.394 4.496 . 0 0 "[ . 1 . 2]" 1
1408 1 93 ARG HA 1 103 ASP HA . . 4.240 3.156 2.580 4.016 . 0 0 "[ . 1 . 2]" 1
1409 1 93 ARG HA 1 94 PRO HG2 . . 4.660 4.214 4.128 4.406 . 0 0 "[ . 1 . 2]" 1
1410 1 93 ARG HA 1 94 PRO HD3 . . 3.370 2.310 2.253 2.422 . 0 0 "[ . 1 . 2]" 1
1411 1 93 ARG HA 1 94 PRO HD2 . . 3.460 2.027 1.922 2.267 . 0 0 "[ . 1 . 2]" 1
1412 1 93 ARG HA 1 94 PRO HG3 . . 4.510 4.329 4.315 4.399 . 0 0 "[ . 1 . 2]" 1
1413 1 73 THR H 1 73 THR MG . . 3.510 2.503 2.180 2.883 . 0 0 "[ . 1 . 2]" 1
1414 1 73 THR HA 1 73 THR MG . . 2.910 2.342 2.157 2.595 . 0 0 "[ . 1 . 2]" 1
1415 1 72 PRO QG 1 73 THR MG . . 3.480 2.589 2.214 2.823 . 0 0 "[ . 1 . 2]" 1
1416 1 112 THR MG 1 113 GLU H . . 3.880 3.346 3.005 3.899 0.019 16 0 "[ . 1 . 2]" 1
1417 1 112 THR H 1 112 THR MG . . 3.660 2.321 1.879 2.558 . 0 0 "[ . 1 . 2]" 1
1418 1 71 VAL MG1 1 72 PRO QD . . 4.310 3.171 2.357 4.138 . 0 0 "[ . 1 . 2]" 1
1419 1 87 THR MG 1 88 TYR H . . 3.510 2.154 1.880 2.485 . 0 0 "[ . 1 . 2]" 1
1420 1 87 THR MG 1 109 VAL H . . 4.000 2.859 2.555 3.102 . 0 0 "[ . 1 . 2]" 1
1421 1 87 THR MG 1 110 ARG HA . . 3.940 2.960 2.588 3.204 . 0 0 "[ . 1 . 2]" 1
1422 1 87 THR HA 1 87 THR MG . . 3.280 2.243 2.119 2.341 . 0 0 "[ . 1 . 2]" 1
1423 1 87 THR MG 1 108 THR HB . . 3.260 1.922 1.829 2.246 . 0 0 "[ . 1 . 2]" 1
1424 1 38 VAL MG2 1 39 ASP H . . 4.160 3.836 3.439 4.114 . 0 0 "[ . 1 . 2]" 1
1425 1 38 VAL MG2 1 41 GLN H . . 4.890 2.837 2.195 4.370 . 0 0 "[ . 1 . 2]" 1
1426 1 38 VAL MG2 1 40 ARG H . . 3.700 3.610 3.215 3.715 0.015 4 0 "[ . 1 . 2]" 1
1427 1 38 VAL MG2 1 48 TYR QE . . 4.370 4.208 3.782 4.371 0.001 7 0 "[ . 1 . 2]" 1
1428 1 36 TRP HD1 1 38 VAL MG2 . . 4.580 4.396 4.058 4.568 . 0 0 "[ . 1 . 2]" 1
1429 1 38 VAL HA 1 38 VAL MG2 . . 3.350 3.193 3.187 3.201 . 0 0 "[ . 1 . 2]" 1
1430 1 37 THR HA 1 38 VAL MG2 . . 3.970 3.806 3.600 4.002 0.032 4 0 "[ . 1 . 2]" 1
1431 1 38 VAL MG2 1 41 GLN HA . . 3.830 2.200 1.856 2.869 . 0 0 "[ . 1 . 2]" 1
1432 1 38 VAL MG2 1 39 ASP QB . . 5.240 4.865 4.701 5.104 . 0 0 "[ . 1 . 2]" 1
1433 1 34 VAL H 1 34 VAL MG1 . . 4.000 3.862 3.800 3.920 . 0 0 "[ . 1 . 2]" 1
1434 1 34 VAL MG1 1 36 TRP HZ3 . . 4.550 2.654 2.148 3.312 . 0 0 "[ . 1 . 2]" 1
1435 1 34 VAL HA 1 34 VAL MG1 . . 3.350 2.319 2.225 2.434 . 0 0 "[ . 1 . 2]" 1
1436 1 34 VAL MG1 1 79 LEU MD1 . . 4.330 3.899 3.487 4.244 . 0 0 "[ . 1 . 2]" 1
1437 1 19 VAL MG2 1 94 PRO HG3 . . 3.240 2.572 2.214 2.867 . 0 0 "[ . 1 . 2]" 1
1438 1 19 VAL MG2 1 20 ARG H . . 4.240 4.051 3.917 4.231 . 0 0 "[ . 1 . 2]" 1
1439 1 19 VAL H 1 19 VAL MG2 . . 3.590 2.428 1.957 2.768 . 0 0 "[ . 1 . 2]" 1
1440 1 19 VAL MG2 1 48 TYR QE . . 3.480 3.031 2.638 3.395 . 0 0 "[ . 1 . 2]" 1
1441 1 19 VAL MG2 1 36 TRP HD1 . . 4.490 3.772 3.238 4.254 . 0 0 "[ . 1 . 2]" 1
1442 1 19 VAL MG2 1 93 ARG HA . . 4.360 3.531 2.846 4.256 . 0 0 "[ . 1 . 2]" 1
1443 1 19 VAL HA 1 19 VAL MG2 . . 3.280 2.361 2.275 2.465 . 0 0 "[ . 1 . 2]" 1
1444 1 19 VAL MG2 1 94 PRO HD2 . . 4.100 3.147 2.706 3.677 . 0 0 "[ . 1 . 2]" 1
1445 1 50 VAL MG1 1 52 TYR HB2 . . 4.950 4.738 4.556 4.954 0.004 20 0 "[ . 1 . 2]" 1
1446 1 50 VAL MG1 1 51 MET H . . 3.510 3.293 2.818 3.518 0.008 12 0 "[ . 1 . 2]" 1
1447 1 50 VAL HA 1 50 VAL MG1 . . 3.300 2.411 2.281 2.473 . 0 0 "[ . 1 . 2]" 1
1448 1 50 VAL MG1 1 92 VAL MG1 . . 4.660 4.470 4.096 4.662 0.002 15 0 "[ . 1 . 2]" 1
1449 1 36 TRP HZ3 1 50 VAL MG1 . . 4.660 3.872 3.202 4.463 . 0 0 "[ . 1 . 2]" 1
1450 1 24 PRO HB3 1 32 VAL MG1 . . 3.820 3.274 3.080 3.486 . 0 0 "[ . 1 . 2]" 1
1451 1 26 VAL HB 1 32 VAL MG1 . . 4.140 3.183 2.811 3.482 . 0 0 "[ . 1 . 2]" 1
1452 1 71 VAL HA 1 71 VAL MG1 . . 3.350 2.658 2.079 3.186 . 0 0 "[ . 1 . 2]" 1
1453 1 71 VAL MG1 1 74 GLU H . . 4.490 2.750 1.788 4.016 . 0 0 "[ . 1 . 2]" 1
1454 1 71 VAL MG1 1 73 THR H . . 4.510 2.766 1.843 4.172 . 0 0 "[ . 1 . 2]" 1
1455 1 71 VAL MG1 1 74 GLU QG . . 3.590 2.066 1.795 2.778 . 0 0 "[ . 1 . 2]" 1
1456 1 87 THR MG 1 108 THR HA . . 4.360 3.228 3.064 3.401 . 0 0 "[ . 1 . 2]" 1
1457 1 38 VAL MG2 1 48 TYR HH . . 4.070 2.864 1.982 3.567 . 0 0 "[ . 1 . 2]" 1
1458 1 38 VAL MG2 1 42 PRO HD2 . . 4.580 3.075 2.624 3.504 . 0 0 "[ . 1 . 2]" 1
1459 1 26 VAL H 1 26 VAL MG2 . . 3.880 3.738 3.699 3.775 . 0 0 "[ . 1 . 2]" 1
1460 1 26 VAL MG2 1 27 LEU H . . 4.250 3.018 2.686 3.491 . 0 0 "[ . 1 . 2]" 1
1461 1 26 VAL MG2 1 111 THR HA . . 3.960 2.243 1.992 2.434 . 0 0 "[ . 1 . 2]" 1
1462 1 26 VAL HA 1 26 VAL MG2 . . 3.560 2.438 2.251 2.528 . 0 0 "[ . 1 . 2]" 1
1463 1 109 VAL MG2 1 110 ARG HA . . 4.890 4.051 3.827 4.263 . 0 0 "[ . 1 . 2]" 1
1464 1 109 VAL HA 1 109 VAL MG2 . . 3.170 2.313 2.160 2.434 . 0 0 "[ . 1 . 2]" 1
1465 1 109 VAL H 1 109 VAL MG2 . . 4.360 3.866 3.833 3.922 . 0 0 "[ . 1 . 2]" 1
1466 1 27 LEU MD2 1 33 GLN H . . 4.240 3.783 1.745 4.232 . 0 0 "[ . 1 . 2]" 1
1467 1 27 LEU H 1 27 LEU MD2 . . 3.940 3.191 1.738 3.648 . 0 0 "[ . 1 . 2]" 1
1468 1 27 LEU MD2 1 33 GLN HA . . 5.500 5.139 3.417 5.504 0.004 15 0 "[ . 1 . 2]" 1
1469 1 27 LEU HA 1 27 LEU MD2 . . 3.830 2.254 1.964 3.061 . 0 0 "[ . 1 . 2]" 1
1470 1 27 LEU MD2 1 33 GLN HB3 . . 4.290 3.309 2.008 3.968 . 0 0 "[ . 1 . 2]" 1
1471 1 27 LEU MD2 1 33 GLN HB2 . . 4.290 3.139 1.974 3.676 . 0 0 "[ . 1 . 2]" 1
1472 1 27 LEU HB3 1 27 LEU MD2 . . 3.300 2.440 2.199 3.191 . 0 0 "[ . 1 . 2]" 1
1473 1 26 VAL H 1 32 VAL MG1 . . 4.580 3.763 3.488 4.154 . 0 0 "[ . 1 . 2]" 1
1474 1 19 VAL MG1 1 20 ARG H . . 3.590 2.442 1.966 3.205 . 0 0 "[ . 1 . 2]" 1
1475 1 19 VAL MG1 1 48 TYR QE . . 4.240 3.884 3.392 4.220 . 0 0 "[ . 1 . 2]" 1
1476 1 19 VAL MG1 1 93 ARG HA . . 5.210 4.264 3.738 4.723 . 0 0 "[ . 1 . 2]" 1
1477 1 19 VAL HA 1 19 VAL MG1 . . 3.200 2.367 2.237 2.448 . 0 0 "[ . 1 . 2]" 1
1478 1 19 VAL MG1 1 104 SER HB2 . . 4.000 3.039 2.003 3.972 . 0 0 "[ . 1 . 2]" 1
1479 1 19 VAL MG1 1 104 SER HB3 . . 4.000 2.939 1.971 4.012 0.012 16 0 "[ . 1 . 2]" 1
1480 1 19 VAL MG1 1 36 TRP HB3 . . 3.970 3.464 3.002 3.882 . 0 0 "[ . 1 . 2]" 1
1481 1 19 VAL MG1 1 36 TRP HB2 . . 3.480 2.310 1.909 2.655 . 0 0 "[ . 1 . 2]" 1
1482 1 37 THR H 1 37 THR MG . . 3.940 2.612 2.061 3.368 . 0 0 "[ . 1 . 2]" 1
1483 1 36 TRP HA 1 37 THR MG . . 4.660 3.757 3.384 4.157 . 0 0 "[ . 1 . 2]" 1
1484 1 37 THR HA 1 37 THR MG . . 3.350 2.838 2.171 3.205 . 0 0 "[ . 1 . 2]" 1
1485 1 22 HIS QB 1 37 THR MG . . 5.500 5.159 4.685 5.499 . 0 0 "[ . 1 . 2]" 1
1486 1 36 TRP HB2 1 37 THR MG . . 4.950 4.676 4.267 4.966 0.016 14 0 "[ . 1 . 2]" 1
1487 1 17 VAL MG2 1 18 LEU H . . 4.070 3.283 1.915 4.082 0.012 1 0 "[ . 1 . 2]" 1
1488 1 17 VAL H 1 17 VAL MG2 . . 4.070 2.804 1.875 3.766 . 0 0 "[ . 1 . 2]" 1
1489 1 17 VAL HA 1 17 VAL MG2 . . 3.370 2.307 2.186 2.430 . 0 0 "[ . 1 . 2]" 1
1490 1 17 VAL MG2 1 42 PRO HD2 . . 4.430 3.799 3.346 4.393 . 0 0 "[ . 1 . 2]" 1
1491 1 35 THR HA 1 35 THR MG . . 3.280 2.236 2.068 2.379 . 0 0 "[ . 1 . 2]" 1
1492 1 35 THR MG 1 76 SER QB . . 3.260 2.830 2.271 3.255 . 0 0 "[ . 1 . 2]" 1
1493 1 88 TYR H 1 108 THR MG . . 4.660 4.145 3.828 4.516 . 0 0 "[ . 1 . 2]" 1
1494 1 90 ILE H 1 108 THR MG . . 4.630 4.110 3.901 4.326 . 0 0 "[ . 1 . 2]" 1
1495 1 108 THR MG 1 109 VAL H . . 3.850 3.644 3.529 3.736 . 0 0 "[ . 1 . 2]" 1
1496 1 108 THR HA 1 108 THR MG . . 3.280 2.095 2.015 2.199 . 0 0 "[ . 1 . 2]" 1
1497 1 89 GLU HA 1 108 THR MG . . 3.480 2.541 2.374 2.752 . 0 0 "[ . 1 . 2]" 1
1498 1 108 THR H 1 108 THR MG . . 3.510 3.094 2.903 3.324 . 0 0 "[ . 1 . 2]" 1
1499 1 88 TYR HA 1 108 THR MG . . 4.950 4.682 4.473 4.942 . 0 0 "[ . 1 . 2]" 1
1500 1 87 THR HB 1 108 THR MG . . 4.060 3.783 3.471 4.061 0.001 10 0 "[ . 1 . 2]" 1
1501 1 29 PRO HD2 1 30 THR MG . . 4.250 4.105 3.922 4.246 . 0 0 "[ . 1 . 2]" 1
1502 1 30 THR MG 1 31 THR H . . 4.490 4.197 4.127 4.287 . 0 0 "[ . 1 . 2]" 1
1503 1 29 PRO HA 1 30 THR MG . . 5.320 4.512 4.305 4.689 . 0 0 "[ . 1 . 2]" 1
1504 1 33 GLN HE21 1 35 THR MG . . 4.910 4.325 3.659 4.874 . 0 0 "[ . 1 . 2]" 1
1505 1 34 VAL HA 1 34 VAL MG2 . . 3.350 2.408 2.289 2.549 . 0 0 "[ . 1 . 2]" 1
1506 1 34 VAL H 1 34 VAL MG2 . . 4.000 2.674 2.328 2.886 . 0 0 "[ . 1 . 2]" 1
1507 1 34 VAL MG2 1 36 TRP HZ3 . . 4.550 4.416 4.157 4.544 . 0 0 "[ . 1 . 2]" 1
1508 1 80 VAL MG1 1 81 ASN H . . 3.740 3.582 3.416 3.719 . 0 0 "[ . 1 . 2]" 1
1509 1 80 VAL H 1 80 VAL MG1 . . 3.530 2.653 2.438 3.085 . 0 0 "[ . 1 . 2]" 1
1510 1 80 VAL HA 1 80 VAL MG1 . . 3.140 2.349 2.249 2.442 . 0 0 "[ . 1 . 2]" 1
1511 1 31 THR HB 1 80 VAL MG1 . . 4.500 4.072 3.716 4.399 . 0 0 "[ . 1 . 2]" 1
1512 1 78 VAL H 1 78 VAL MG1 . . 3.920 3.864 3.782 3.918 . 0 0 "[ . 1 . 2]" 1
1513 1 78 VAL HA 1 78 VAL MG1 . . 3.230 2.342 2.254 2.457 . 0 0 "[ . 1 . 2]" 1
1514 1 78 VAL MG2 1 79 LEU H . . 4.790 4.100 3.957 4.232 . 0 0 "[ . 1 . 2]" 1
1515 1 78 VAL HA 1 78 VAL MG2 . . 3.230 2.365 2.270 2.501 . 0 0 "[ . 1 . 2]" 1
1516 1 24 PRO HD2 1 107 LYS HB2 . . 4.490 3.602 3.109 4.193 . 0 0 "[ . 1 . 2]" 1
1517 1 71 VAL HA 1 72 PRO QD . . 2.980 1.852 1.851 1.857 . 0 0 "[ . 1 . 2]" 1
1518 1 24 PRO HD3 1 107 LYS HB2 . . 4.490 2.327 2.025 2.907 . 0 0 "[ . 1 . 2]" 1
1519 1 24 PRO HD3 1 107 LYS HB3 . . 4.490 2.192 1.997 2.537 . 0 0 "[ . 1 . 2]" 1
1520 1 30 THR MG 1 81 ASN H . . 5.190 4.998 4.746 5.194 0.004 10 0 "[ . 1 . 2]" 1
1521 1 30 THR MG 1 84 LYS H . . 5.050 4.642 4.230 5.036 . 0 0 "[ . 1 . 2]" 1
1522 1 30 THR HA 1 30 THR MG . . 3.150 2.258 2.141 2.369 . 0 0 "[ . 1 . 2]" 1
1523 1 25 VAL MG2 1 26 VAL H . . 4.660 4.131 3.978 4.204 . 0 0 "[ . 1 . 2]" 1
1524 1 25 VAL H 1 25 VAL MG2 . . 3.430 2.006 1.879 2.221 . 0 0 "[ . 1 . 2]" 1
1525 1 25 VAL HA 1 25 VAL MG2 . . 3.040 2.383 2.276 2.447 . 0 0 "[ . 1 . 2]" 1
1526 1 86 VAL H 1 86 VAL MG1 . . 4.250 2.574 2.396 2.796 . 0 0 "[ . 1 . 2]" 1
1527 1 54 GLN HA 1 86 VAL MG1 . . 4.660 4.262 3.662 4.607 . 0 0 "[ . 1 . 2]" 1
1528 1 83 LYS QE 1 86 VAL MG1 . . 5.500 3.838 2.904 4.691 . 0 0 "[ . 1 . 2]" 1
1529 1 10 VAL MG2 1 11 GLN QG . . 4.360 3.753 3.110 4.364 0.004 4 0 "[ . 1 . 2]" 1
1530 1 10 VAL MG2 1 11 GLN HB2 . . 6.250 5.114 4.728 5.864 . 0 0 "[ . 1 . 2]" 1
1531 1 10 VAL MG2 1 11 GLN HB3 . . 6.250 5.811 5.288 6.422 0.172 20 0 "[ . 1 . 2]" 1
1532 1 72 PRO QD 1 73 THR MG . . 5.230 3.453 3.043 3.775 . 0 0 "[ . 1 . 2]" 1
1533 1 61 THR H 1 61 THR MG . . 3.730 3.253 3.032 3.399 . 0 0 "[ . 1 . 2]" 1
1534 1 61 THR MG 1 62 SER HA . . 4.360 3.599 3.452 3.821 . 0 0 "[ . 1 . 2]" 1
1535 1 60 ALA HA 1 61 THR MG . . 4.580 4.124 3.913 4.357 . 0 0 "[ . 1 . 2]" 1
1536 1 38 VAL MG1 1 48 TYR QE . . 3.630 2.975 2.621 3.236 . 0 0 "[ . 1 . 2]" 1
1537 1 19 VAL HA 1 38 VAL MG1 . . 3.780 2.517 2.143 3.279 . 0 0 "[ . 1 . 2]" 1
1538 1 38 VAL MG1 1 75 ARG HD3 . . 5.070 3.945 2.304 5.079 0.009 4 0 "[ . 1 . 2]" 1
1539 1 25 VAL MG1 1 33 GLN H . . 4.660 4.379 4.065 4.619 . 0 0 "[ . 1 . 2]" 1
1540 1 25 VAL HA 1 25 VAL MG1 . . 3.190 2.356 2.266 2.465 . 0 0 "[ . 1 . 2]" 1
1541 1 25 VAL MG1 1 26 VAL HA . . 4.660 4.096 3.870 4.263 . 0 0 "[ . 1 . 2]" 1
1542 1 25 VAL MG1 1 27 LEU HG . . 4.500 3.426 2.836 4.474 . 0 0 "[ . 1 . 2]" 1
1543 1 49 ARG HA 1 50 VAL MG2 . . 4.530 3.841 3.654 4.150 . 0 0 "[ . 1 . 2]" 1
1544 1 50 VAL MG2 1 92 VAL HA . . 4.700 3.577 3.070 4.300 . 0 0 "[ . 1 . 2]" 1
1545 1 48 TYR HB3 1 50 VAL MG2 . . 4.650 3.287 2.901 3.567 . 0 0 "[ . 1 . 2]" 1
1546 1 10 VAL MG1 1 11 GLN QG . . 4.360 2.346 1.974 2.878 . 0 0 "[ . 1 . 2]" 1
1547 1 10 VAL MG1 1 11 GLN HB3 . . 6.250 4.380 4.021 5.141 . 0 0 "[ . 1 . 2]" 1
1548 1 48 TYR QD 1 92 VAL MG1 . . 3.590 2.608 2.105 3.035 . 0 0 "[ . 1 . 2]" 1
1549 1 92 VAL MG1 1 93 ARG HA . . 4.890 3.369 3.125 3.652 . 0 0 "[ . 1 . 2]" 1
1550 1 92 VAL HA 1 92 VAL MG1 . . 3.630 2.375 2.240 2.493 . 0 0 "[ . 1 . 2]" 1
1551 1 50 VAL HA 1 92 VAL MG1 . . 4.360 4.064 3.652 4.363 0.003 17 0 "[ . 1 . 2]" 1
1552 1 48 TYR HB3 1 92 VAL MG1 . . 3.430 2.875 2.584 3.091 . 0 0 "[ . 1 . 2]" 1
1553 1 19 VAL MG2 1 92 VAL MG1 . . 3.560 3.152 2.373 3.570 0.010 10 0 "[ . 1 . 2]" 1
1554 1 19 VAL MG1 1 92 VAL MG1 . . 3.300 2.358 1.931 2.885 . 0 0 "[ . 1 . 2]" 1
1555 1 19 VAL MG2 1 94 PRO HD3 . . 4.000 2.022 1.783 2.423 . 0 0 "[ . 1 . 2]" 1
1556 1 94 PRO HD2 1 101 GLY HA2 . . 5.330 4.582 4.334 4.970 . 0 0 "[ . 1 . 2]" 1
1557 1 94 PRO HD2 1 102 MET HA . . 5.500 5.083 4.793 5.490 . 0 0 "[ . 1 . 2]" 1
1558 1 93 ARG HB3 1 94 PRO HD2 . . 4.360 3.722 2.854 4.167 . 0 0 "[ . 1 . 2]" 1
1559 1 94 PRO HD2 1 101 GLY HA3 . . 4.360 3.088 2.728 3.465 . 0 0 "[ . 1 . 2]" 1
1560 1 93 ARG HB2 1 94 PRO HD2 . . 4.360 3.174 2.258 4.409 0.049 18 0 "[ . 1 . 2]" 1
1561 1 61 THR HA 1 61 THR MG . . 3.560 3.197 3.171 3.207 . 0 0 "[ . 1 . 2]" 1
1562 1 38 VAL MG1 1 48 TYR HH . . 4.490 2.459 1.936 3.577 . 0 0 "[ . 1 . 2]" 1
1563 1 25 VAL MG1 1 27 LEU H . . 4.560 3.947 3.341 4.402 . 0 0 "[ . 1 . 2]" 1
1564 1 50 VAL H 1 50 VAL MG2 . . 3.410 2.500 2.125 2.760 . 0 0 "[ . 1 . 2]" 1
1565 1 36 TRP HZ2 1 50 VAL MG2 . . 4.410 4.177 3.779 4.422 0.012 17 0 "[ . 1 . 2]" 1
1566 1 36 TRP HZ3 1 50 VAL MG2 . . 3.630 2.715 2.127 3.251 . 0 0 "[ . 1 . 2]" 1
1567 1 50 VAL HA 1 50 VAL MG2 . . 3.430 2.354 2.278 2.483 . 0 0 "[ . 1 . 2]" 1
1568 1 50 VAL MG2 1 92 VAL MG1 . . 3.740 3.170 2.827 3.515 . 0 0 "[ . 1 . 2]" 1
1569 1 55 THR H 1 86 VAL MG2 . . 5.190 3.046 2.684 3.424 . 0 0 "[ . 1 . 2]" 1
1570 1 86 VAL MG2 1 87 THR H . . 4.070 2.055 1.860 2.312 . 0 0 "[ . 1 . 2]" 1
1571 1 54 GLN HA 1 86 VAL MG2 . . 4.660 3.764 3.448 4.109 . 0 0 "[ . 1 . 2]" 1
1572 1 83 LYS QE 1 86 VAL MG2 . . 5.500 4.729 3.885 5.471 . 0 0 "[ . 1 . 2]" 1
1573 1 42 PRO HD3 1 45 ILE MG . . 4.950 4.627 4.427 4.870 . 0 0 "[ . 1 . 2]" 1
1574 1 41 GLN HA 1 42 PRO HD3 . . 3.230 2.377 2.276 2.558 . 0 0 "[ . 1 . 2]" 1
1575 1 94 PRO HD3 1 101 GLY HA3 . . 4.900 4.480 4.230 4.681 . 0 0 "[ . 1 . 2]" 1
1576 1 28 THR HB 1 29 PRO HD3 . . 3.560 3.447 3.430 3.495 . 0 0 "[ . 1 . 2]" 1
1577 1 28 THR MG 1 29 PRO HD3 . . 4.240 3.207 3.015 3.337 . 0 0 "[ . 1 . 2]" 1
1578 1 94 PRO HD2 1 102 MET H . . 4.890 3.954 2.214 4.573 . 0 0 "[ . 1 . 2]" 1
1579 1 41 GLN HG3 1 42 PRO HD2 . . 4.660 3.017 2.520 3.995 . 0 0 "[ . 1 . 2]" 1
1580 1 41 GLN HB2 1 42 PRO HD2 . . 4.890 4.027 3.814 4.300 . 0 0 "[ . 1 . 2]" 1
1581 1 38 VAL MG1 1 42 PRO HD2 . . 4.490 3.802 3.411 4.465 . 0 0 "[ . 1 . 2]" 1
1582 1 41 GLN HA 1 42 PRO HD2 . . 3.260 1.953 1.912 2.049 . 0 0 "[ . 1 . 2]" 1
1583 1 42 PRO HD2 1 45 ILE MG . . 4.160 3.533 3.303 3.733 . 0 0 "[ . 1 . 2]" 1
1584 1 71 VAL MG2 1 73 THR H . . 4.510 3.457 1.843 4.552 0.042 14 0 "[ . 1 . 2]" 1
1585 1 71 VAL HA 1 71 VAL MG2 . . 3.350 2.430 2.318 2.662 . 0 0 "[ . 1 . 2]" 1
1586 1 71 VAL MG2 1 74 GLU HA . . 5.500 4.881 3.647 5.618 0.118 14 0 "[ . 1 . 2]" 1
1587 1 71 VAL MG2 1 74 GLU QG . . 3.590 2.672 1.969 3.364 . 0 0 "[ . 1 . 2]" 1
1588 1 71 VAL MG2 1 72 PRO QD . . 4.310 3.213 2.396 3.879 . 0 0 "[ . 1 . 2]" 1
1589 1 28 THR HA 1 29 PRO HD3 . . 3.410 2.343 2.331 2.354 . 0 0 "[ . 1 . 2]" 1
1590 1 28 THR HA 1 29 PRO HD2 . . 3.660 2.496 2.474 2.519 . 0 0 "[ . 1 . 2]" 1
1591 1 28 THR HB 1 29 PRO HD2 . . 3.460 2.002 1.984 2.059 . 0 0 "[ . 1 . 2]" 1
1592 1 28 THR MG 1 29 PRO HD2 . . 4.260 2.346 2.222 2.505 . 0 0 "[ . 1 . 2]" 1
1593 1 82 LEU H 1 82 LEU MD2 . . 3.850 3.712 3.493 3.843 . 0 0 "[ . 1 . 2]" 1
1594 1 80 VAL H 1 82 LEU MD2 . . 4.660 4.471 4.026 4.657 . 0 0 "[ . 1 . 2]" 1
1595 1 82 LEU MD2 1 88 TYR QD . . 4.170 3.538 3.145 3.773 . 0 0 "[ . 1 . 2]" 1
1596 1 82 LEU HA 1 82 LEU MD2 . . 2.990 2.091 1.977 2.404 . 0 0 "[ . 1 . 2]" 1
1597 1 52 TYR HB2 1 82 LEU MD2 . . 5.190 4.102 3.723 4.386 . 0 0 "[ . 1 . 2]" 1
1598 1 79 LEU HB3 1 82 LEU MD2 . . 3.740 2.536 2.117 2.951 . 0 0 "[ . 1 . 2]" 1
1599 1 82 LEU HB3 1 82 LEU MD2 . . 3.370 2.322 2.134 2.399 . 0 0 "[ . 1 . 2]" 1
1600 1 79 LEU HB2 1 82 LEU MD2 . . 3.740 3.101 2.566 3.531 . 0 0 "[ . 1 . 2]" 1
1601 1 88 TYR H 1 109 VAL MG1 . . 4.030 2.489 2.297 2.843 . 0 0 "[ . 1 . 2]" 1
1602 1 109 VAL MG1 1 110 ARG H . . 4.360 4.054 3.871 4.156 . 0 0 "[ . 1 . 2]" 1
1603 1 88 TYR QD 1 109 VAL MG1 . . 4.070 3.321 3.079 3.457 . 0 0 "[ . 1 . 2]" 1
1604 1 108 THR HA 1 109 VAL MG1 . . 4.240 3.711 3.580 3.862 . 0 0 "[ . 1 . 2]" 1
1605 1 87 THR HA 1 109 VAL MG1 . . 4.900 3.953 3.812 4.262 . 0 0 "[ . 1 . 2]" 1
1606 1 89 GLU HA 1 109 VAL MG1 . . 5.400 4.323 4.226 4.445 . 0 0 "[ . 1 . 2]" 1
1607 1 109 VAL MG1 1 111 THR HA . . 5.240 4.862 4.437 5.136 . 0 0 "[ . 1 . 2]" 1
1608 1 88 TYR HB3 1 109 VAL MG1 . . 4.070 2.719 2.560 2.897 . 0 0 "[ . 1 . 2]" 1
1609 1 24 PRO HB3 1 109 VAL MG1 . . 4.370 4.110 3.817 4.373 0.003 9 0 "[ . 1 . 2]" 1
1610 1 24 PRO HB2 1 109 VAL MG1 . . 4.370 3.271 3.039 3.569 . 0 0 "[ . 1 . 2]" 1
1611 1 79 LEU MD1 1 109 VAL MG1 . . 4.660 3.848 3.485 4.153 . 0 0 "[ . 1 . 2]" 1
1612 1 82 LEU MD1 1 109 VAL MG1 . . 4.490 3.625 3.469 3.769 . 0 0 "[ . 1 . 2]" 1
1613 1 20 ARG HA 1 20 ARG HD2 . . 5.340 4.046 2.127 4.751 . 0 0 "[ . 1 . 2]" 1
1614 1 20 ARG HA 1 20 ARG HD3 . . 5.340 3.847 2.432 4.740 . 0 0 "[ . 1 . 2]" 1
1615 1 90 ILE MD 1 90 ILE MG . . 3.180 2.959 2.296 3.170 . 0 0 "[ . 1 . 2]" 1
1616 1 33 GLN HG2 1 76 SER QB . . 5.230 3.954 3.147 4.946 . 0 0 "[ . 1 . 2]" 1
1617 1 33 GLN HG3 1 76 SER QB . . 5.230 4.574 3.821 5.233 0.003 4 0 "[ . 1 . 2]" 1
1618 1 54 GLN HG3 1 60 ALA MB . . 4.890 4.544 4.116 4.894 0.004 13 0 "[ . 1 . 2]" 1
1619 1 13 GLU HG3 1 44 PHE QD . . 5.230 4.750 3.790 5.354 0.124 12 0 "[ . 1 . 2]" 1
1620 1 13 GLU HG3 1 44 PHE QE . . 5.500 2.796 2.049 3.499 . 0 0 "[ . 1 . 2]" 1
1621 1 110 ARG HG2 1 112 THR H . . 5.230 4.888 4.662 5.100 . 0 0 "[ . 1 . 2]" 1
1622 1 95 TYR HA 1 96 PHE QB . . 5.230 4.025 3.998 4.043 . 0 0 "[ . 1 . 2]" 1
1623 1 36 TRP HD1 1 75 ARG HA . . 5.230 4.487 3.985 4.862 . 0 0 "[ . 1 . 2]" 1
1624 1 35 THR MG 1 75 ARG HA . . 5.500 5.335 5.074 5.504 0.004 1 0 "[ . 1 . 2]" 1
1625 1 38 VAL MG1 1 75 ARG HA . . 5.500 5.168 4.420 5.505 0.005 13 0 "[ . 1 . 2]" 1
1626 1 36 TRP H 1 75 ARG HA . . 5.230 4.656 4.234 4.951 . 0 0 "[ . 1 . 2]" 1
1627 1 48 TYR HB2 1 75 ARG HA . . 5.230 5.039 4.645 5.238 0.008 18 0 "[ . 1 . 2]" 1
1628 1 69 ALA MB 1 92 VAL MG1 . . 5.500 5.415 5.173 5.502 0.002 7 0 "[ . 1 . 2]" 1
1629 1 69 ALA MB 1 75 ARG HA . . 5.500 5.449 5.194 5.529 0.029 13 0 "[ . 1 . 2]" 1
1630 1 47 GLY HA2 1 69 ALA MB . . 4.890 4.237 3.812 4.663 . 0 0 "[ . 1 . 2]" 1
1631 1 47 GLY HA3 1 69 ALA MB . . 4.890 3.967 3.408 4.407 . 0 0 "[ . 1 . 2]" 1
1632 1 69 ALA MB 1 72 PRO HA . . 5.500 5.026 4.619 5.337 . 0 0 "[ . 1 . 2]" 1
1633 1 69 ALA MB 1 70 LYS HA . . 4.890 4.341 4.180 4.466 . 0 0 "[ . 1 . 2]" 1
1634 1 69 ALA MB 1 77 ALA HA . . 4.890 4.696 4.261 4.898 0.008 11 0 "[ . 1 . 2]" 1
1635 1 48 TYR HB3 1 69 ALA MB . . 4.120 3.885 3.570 4.123 0.003 10 0 "[ . 1 . 2]" 1
1636 1 69 ALA MB 1 74 GLU HB2 . . 3.940 3.315 2.932 3.661 . 0 0 "[ . 1 . 2]" 1
1637 1 54 GLN QB 1 62 SER HB3 . . 5.500 5.134 4.401 5.365 . 0 0 "[ . 1 . 2]" 1
1638 1 13 GLU HG2 1 44 PHE QE . . 5.500 2.189 1.968 2.897 . 0 0 "[ . 1 . 2]" 1
1639 1 13 GLU HG2 1 44 PHE QD . . 5.230 3.884 3.295 4.208 . 0 0 "[ . 1 . 2]" 1
1640 1 14 LEU HA 1 17 VAL HB . . 5.500 4.362 3.579 5.349 . 0 0 "[ . 1 . 2]" 1
1641 1 21 LEU HG 1 22 HIS H . . 4.890 3.746 3.019 4.861 . 0 0 "[ . 1 . 2]" 1
1642 1 21 LEU HG 1 107 LYS QG . . 4.190 2.776 2.072 4.202 0.012 13 0 "[ . 1 . 2]" 1
1643 1 79 LEU HA 1 82 LEU HG . . 5.500 4.949 4.500 5.276 . 0 0 "[ . 1 . 2]" 1
1644 1 81 ASN HA 1 82 LEU HG . . 5.500 4.769 4.624 5.088 . 0 0 "[ . 1 . 2]" 1
1645 1 80 VAL HA 1 82 LEU HG . . 5.230 3.240 3.070 3.353 . 0 0 "[ . 1 . 2]" 1
1646 1 90 ILE MD 1 91 LYS H . . 5.190 4.966 4.880 5.078 . 0 0 "[ . 1 . 2]" 1
1647 1 52 TYR QD 1 90 ILE MD . . 5.230 4.524 4.301 4.907 . 0 0 "[ . 1 . 2]" 1
1648 1 89 GLU HA 1 90 ILE MD . . 5.230 3.309 2.615 4.552 . 0 0 "[ . 1 . 2]" 1
1649 1 24 PRO HD2 1 90 ILE MD . . 5.500 5.496 5.466 5.518 0.018 13 0 "[ . 1 . 2]" 1
1650 1 24 PRO HD3 1 90 ILE MD . . 5.500 4.856 4.696 5.066 . 0 0 "[ . 1 . 2]" 1
1651 1 8 ARG HA 1 10 VAL HB . . 5.500 4.865 4.114 5.170 . 0 0 "[ . 1 . 2]" 1
1652 1 9 GLN HA 1 10 VAL HB . . 5.500 5.554 5.521 5.594 0.094 14 0 "[ . 1 . 2]" 1
1653 1 15 GLY HA3 1 16 ASP HB2 . . 5.500 5.064 4.924 5.323 . 0 0 "[ . 1 . 2]" 1
1654 1 15 GLY HA2 1 102 MET HB2 . . 5.500 3.879 2.000 5.048 . 0 0 "[ . 1 . 2]" 1
1655 1 15 GLY HA2 1 102 MET HB3 . . 5.500 4.510 3.179 5.368 . 0 0 "[ . 1 . 2]" 1
1656 1 85 GLY HA3 1 113 GLU HB2 . . 5.500 4.154 2.417 4.945 . 0 0 "[ . 1 . 2]" 1
1657 1 14 LEU HB3 1 44 PHE HZ . . 5.430 3.794 3.327 4.599 . 0 0 "[ . 1 . 2]" 1
1658 1 14 LEU HB2 1 44 PHE HZ . . 4.980 2.487 1.990 3.678 . 0 0 "[ . 1 . 2]" 1
1659 1 14 LEU HA 1 17 VAL H . . 4.890 4.419 3.982 4.900 0.010 14 0 "[ . 1 . 2]" 1
1660 1 90 ILE MD 1 108 THR HA . . 4.890 3.874 3.406 4.874 . 0 0 "[ . 1 . 2]" 1
1661 1 90 ILE MD 1 109 VAL MG1 . . 2.790 2.005 1.793 2.216 . 0 0 "[ . 1 . 2]" 1
1662 1 22 HIS HD2 1 35 THR MG . . 4.670 3.853 3.294 4.425 . 0 0 "[ . 1 . 2]" 1
1663 1 22 HIS HD2 1 37 THR MG . . 4.280 3.339 2.635 3.753 . 0 0 "[ . 1 . 2]" 1
1664 1 20 ARG QB 1 22 HIS HD2 . . 4.490 3.815 3.366 4.498 0.008 17 0 "[ . 1 . 2]" 1
1665 1 22 HIS HD2 1 36 TRP HB2 . . 4.770 4.304 4.026 4.633 . 0 0 "[ . 1 . 2]" 1
1666 1 22 HIS QB 1 22 HIS HD2 . . 3.560 2.987 2.793 3.153 . 0 0 "[ . 1 . 2]" 1
1667 1 21 LEU HA 1 22 HIS HD2 . . 4.280 3.177 2.643 4.058 . 0 0 "[ . 1 . 2]" 1
1668 1 22 HIS HD2 1 36 TRP HA . . 3.620 2.203 1.998 2.544 . 0 0 "[ . 1 . 2]" 1
1669 1 22 HIS HD2 1 36 TRP H . . 5.220 4.506 3.971 4.935 . 0 0 "[ . 1 . 2]" 1
1670 1 22 HIS H 1 22 HIS HD2 . . 3.810 2.040 1.897 2.896 . 0 0 "[ . 1 . 2]" 1
1671 1 22 HIS HD2 1 37 THR H . . 4.000 3.132 2.379 3.630 . 0 0 "[ . 1 . 2]" 1
1672 1 22 HIS HE1 1 35 THR MG . . 5.500 5.329 4.676 5.507 0.007 18 0 "[ . 1 . 2]" 1
1673 1 22 HIS HE1 1 37 THR MG . . 4.010 3.472 2.846 3.992 . 0 0 "[ . 1 . 2]" 1
1674 1 22 HIS HE1 1 37 THR HB . . 5.500 4.902 3.749 5.512 0.012 17 0 "[ . 1 . 2]" 1
1675 1 36 TRP HD1 1 92 VAL MG1 . . 4.800 3.390 2.863 3.798 . 0 0 "[ . 1 . 2]" 1
1676 1 19 VAL MG1 1 36 TRP HD1 . . 3.330 2.433 1.959 2.997 . 0 0 "[ . 1 . 2]" 1
1677 1 36 TRP HD1 1 38 VAL MG1 . . 2.880 2.448 2.075 2.740 . 0 0 "[ . 1 . 2]" 1
1678 1 36 TRP HB2 1 36 TRP HD1 . . 3.300 2.687 2.629 2.757 . 0 0 "[ . 1 . 2]" 1
1679 1 36 TRP HD1 1 37 THR HA . . 4.240 3.616 3.169 3.984 . 0 0 "[ . 1 . 2]" 1
1680 1 36 TRP HA 1 36 TRP HD1 . . 4.490 4.352 4.249 4.479 . 0 0 "[ . 1 . 2]" 1
1681 1 36 TRP HD1 1 48 TYR QE . . 4.750 4.400 3.834 4.744 . 0 0 "[ . 1 . 2]" 1
1682 1 36 TRP HD1 1 37 THR H . . 4.280 3.609 3.022 4.214 . 0 0 "[ . 1 . 2]" 1
1683 1 36 TRP HE3 1 92 VAL MG2 . . 4.000 2.346 2.071 2.681 . 0 0 "[ . 1 . 2]" 1
1684 1 36 TRP HE3 1 50 VAL MG2 . . 4.490 4.136 3.833 4.457 . 0 0 "[ . 1 . 2]" 1
1685 1 34 VAL HB 1 36 TRP HE3 . . 4.490 3.992 3.729 4.257 . 0 0 "[ . 1 . 2]" 1
1686 1 36 TRP HB3 1 36 TRP HE3 . . 3.810 2.547 2.473 2.632 . 0 0 "[ . 1 . 2]" 1
1687 1 36 TRP HE3 1 76 SER HA . . 4.280 3.494 3.107 4.271 . 0 0 "[ . 1 . 2]" 1
1688 1 35 THR HA 1 36 TRP HE3 . . 4.000 3.110 2.758 3.541 . 0 0 "[ . 1 . 2]" 1
1689 1 36 TRP HZ2 1 92 VAL MG1 . . 4.490 3.638 3.219 3.953 . 0 0 "[ . 1 . 2]" 1
1690 1 35 THR MG 1 76 SER H . . 5.400 5.142 4.746 5.382 . 0 0 "[ . 1 . 2]" 1
1691 1 36 TRP HZ2 1 77 ALA MB . . 4.940 4.783 4.479 4.931 . 0 0 "[ . 1 . 2]" 1
1692 1 76 SER H 1 77 ALA MB . . 5.350 4.447 4.213 4.783 . 0 0 "[ . 1 . 2]" 1
1693 1 36 TRP HZ2 1 48 TYR HB3 . . 3.900 3.022 2.752 3.311 . 0 0 "[ . 1 . 2]" 1
1694 1 36 TRP HZ2 1 48 TYR HB2 . . 3.620 2.715 2.399 3.000 . 0 0 "[ . 1 . 2]" 1
1695 1 36 TRP HZ3 1 76 SER HA . . 4.280 2.808 2.139 3.836 . 0 0 "[ . 1 . 2]" 1
1696 1 36 TRP HZ3 1 69 ALA MB . . 5.330 5.273 5.153 5.336 0.006 18 0 "[ . 1 . 2]" 1
1697 1 36 TRP HH2 1 50 VAL MG2 . . 3.670 2.833 2.259 3.315 . 0 0 "[ . 1 . 2]" 1
1698 1 36 TRP HH2 1 67 LEU MD2 . . 5.350 5.221 4.813 5.343 . 0 0 "[ . 1 . 2]" 1
1699 1 36 TRP HH2 1 77 ALA MB . . 3.250 2.698 2.425 2.886 . 0 0 "[ . 1 . 2]" 1
1700 1 36 TRP HH2 1 48 TYR HB3 . . 4.490 3.898 3.477 4.308 . 0 0 "[ . 1 . 2]" 1
1701 1 36 TRP HH2 1 48 TYR HB2 . . 4.120 3.694 3.300 4.062 . 0 0 "[ . 1 . 2]" 1
1702 1 36 TRP HH2 1 76 SER HA . . 4.490 3.772 3.284 4.211 . 0 0 "[ . 1 . 2]" 1
1703 1 36 TRP HH2 1 77 ALA H . . 4.490 3.932 3.355 4.351 . 0 0 "[ . 1 . 2]" 1
1704 1 53 ARG HD3 1 64 TRP HD1 . . 4.800 3.147 2.941 3.390 . 0 0 "[ . 1 . 2]" 1
1705 1 51 MET ME 1 64 TRP HD1 . . 4.280 4.090 3.779 4.296 0.016 18 0 "[ . 1 . 2]" 1
1706 1 64 TRP HB2 1 64 TRP HD1 . . 3.470 2.632 2.594 2.720 . 0 0 "[ . 1 . 2]" 1
1707 1 64 TRP HB3 1 64 TRP HD1 . . 3.810 3.786 3.745 3.846 0.036 13 0 "[ . 1 . 2]" 1
1708 1 64 TRP HA 1 64 TRP HD1 . . 4.070 3.931 3.727 4.048 . 0 0 "[ . 1 . 2]" 1
1709 1 64 TRP H 1 64 TRP HD1 . . 3.270 3.078 2.750 3.204 . 0 0 "[ . 1 . 2]" 1
1710 1 53 ARG HD3 1 64 TRP HE3 . . 5.500 4.338 4.026 4.682 . 0 0 "[ . 1 . 2]" 1
1711 1 53 ARG HB3 1 64 TRP HE3 . . 4.280 2.947 2.793 3.133 . 0 0 "[ . 1 . 2]" 1
1712 1 51 MET HB3 1 64 TRP HE3 . . 3.470 2.476 2.074 2.614 . 0 0 "[ . 1 . 2]" 1
1713 1 64 TRP HB3 1 64 TRP HE3 . . 3.520 2.632 2.507 2.712 . 0 0 "[ . 1 . 2]" 1
1714 1 64 TRP HE3 1 91 LYS HE2 . . 5.500 4.211 3.270 5.519 0.019 13 0 "[ . 1 . 2]" 1
1715 1 64 TRP HA 1 64 TRP HE3 . . 3.900 3.209 2.999 3.557 . 0 0 "[ . 1 . 2]" 1
1716 1 51 MET HA 1 64 TRP HE3 . . 4.280 3.916 3.775 4.153 . 0 0 "[ . 1 . 2]" 1
1717 1 52 TYR HA 1 64 TRP HE3 . . 3.810 3.495 3.230 3.738 . 0 0 "[ . 1 . 2]" 1
1718 1 52 TYR H 1 64 TRP HE3 . . 3.670 2.727 2.249 3.072 . 0 0 "[ . 1 . 2]" 1
1719 1 53 ARG HD3 1 64 TRP HZ2 . . 4.980 3.729 3.326 3.894 . 0 0 "[ . 1 . 2]" 1
1720 1 53 ARG HB3 1 64 TRP HZ2 . . 5.350 5.196 4.748 5.353 0.003 12 0 "[ . 1 . 2]" 1
1721 1 64 TRP HZ2 1 89 GLU QG . . 4.280 3.953 3.542 4.283 0.003 9 0 "[ . 1 . 2]" 1
1722 1 53 ARG HE 1 64 TRP HZ2 . . 4.120 2.858 2.010 3.425 . 0 0 "[ . 1 . 2]" 1
1723 1 53 ARG HD3 1 64 TRP HZ3 . . 5.500 5.163 4.870 5.383 . 0 0 "[ . 1 . 2]" 1
1724 1 64 TRP HZ3 1 90 ILE MG . . 4.380 4.191 3.996 4.351 . 0 0 "[ . 1 . 2]" 1
1725 1 51 MET HB3 1 64 TRP HZ3 . . 4.120 3.082 2.832 3.343 . 0 0 "[ . 1 . 2]" 1
1726 1 64 TRP HZ3 1 89 GLU QG . . 5.500 4.268 3.755 4.797 . 0 0 "[ . 1 . 2]" 1
1727 1 52 TYR HB3 1 64 TRP HZ3 . . 4.490 4.387 4.273 4.495 0.005 17 0 "[ . 1 . 2]" 1
1728 1 64 TRP HZ3 1 90 ILE HA . . 4.120 2.983 2.618 3.197 . 0 0 "[ . 1 . 2]" 1
1729 1 52 TYR HA 1 64 TRP HZ3 . . 3.560 2.095 2.001 2.352 . 0 0 "[ . 1 . 2]" 1
1730 1 53 ARG H 1 64 TRP HZ3 . . 4.120 3.410 3.148 3.684 . 0 0 "[ . 1 . 2]" 1
1731 1 64 TRP HZ3 1 91 LYS H . . 4.280 3.962 3.449 4.264 . 0 0 "[ . 1 . 2]" 1
1732 1 64 TRP HH2 1 91 LYS HE3 . . 4.800 3.864 2.401 4.759 . 0 0 "[ . 1 . 2]" 1
1733 1 64 TRP HH2 1 90 ILE MG . . 5.500 5.433 5.096 5.511 0.011 13 0 "[ . 1 . 2]" 1
1734 1 64 TRP HH2 1 89 GLU QB . . 4.000 2.566 2.027 3.424 . 0 0 "[ . 1 . 2]" 1
1735 1 64 TRP HH2 1 89 GLU QG . . 3.400 2.468 1.991 2.961 . 0 0 "[ . 1 . 2]" 1
1736 1 45 ILE MD 1 48 TYR QD . . 4.360 3.275 2.866 3.584 . 0 0 "[ . 1 . 2]" 1
1737 1 19 VAL MG2 1 48 TYR QD . . 4.640 4.118 3.629 4.515 . 0 0 "[ . 1 . 2]" 1
1738 1 48 TYR QE 1 92 VAL MG1 . . 4.490 3.613 3.102 4.220 . 0 0 "[ . 1 . 2]" 1
1739 1 45 ILE MD 1 48 TYR QE . . 3.620 2.720 2.397 2.992 . 0 0 "[ . 1 . 2]" 1
1740 1 36 TRP HE1 1 48 TYR QE . . 4.280 3.229 2.766 3.552 . 0 0 "[ . 1 . 2]" 1
1741 1 52 TYR QD 1 82 LEU MD2 . . 3.670 2.755 2.299 3.152 . 0 0 "[ . 1 . 2]" 1
1742 1 52 TYR QD 1 79 LEU MD2 . . 3.620 2.520 2.200 2.756 . 0 0 "[ . 1 . 2]" 1
1743 1 52 TYR QD 1 65 GLN HB2 . . 3.900 3.376 2.906 3.762 . 0 0 "[ . 1 . 2]" 1
1744 1 52 TYR QD 1 90 ILE MG . . 4.000 3.680 3.335 3.912 . 0 0 "[ . 1 . 2]" 1
1745 1 50 VAL MG1 1 52 TYR QD . . 3.670 3.200 2.882 3.445 . 0 0 "[ . 1 . 2]" 1
1746 1 52 TYR QD 1 65 GLN HB3 . . 4.790 3.913 3.406 4.291 . 0 0 "[ . 1 . 2]" 1
1747 1 52 TYR QD 1 90 ILE HG13 . . 5.190 4.410 3.952 5.181 . 0 0 "[ . 1 . 2]" 1
1748 1 51 MET HA 1 52 TYR QD . . 3.810 2.990 2.672 3.266 . 0 0 "[ . 1 . 2]" 1
1749 1 52 TYR QD 1 66 ASN HA . . 4.120 3.636 3.217 3.982 . 0 0 "[ . 1 . 2]" 1
1750 1 52 TYR H 1 52 TYR QD . . 3.430 2.531 2.113 2.906 . 0 0 "[ . 1 . 2]" 1
1751 1 52 TYR QE 1 82 LEU MD2 . . 3.090 2.625 2.030 3.002 . 0 0 "[ . 1 . 2]" 1
1752 1 52 TYR QE 1 79 LEU MD2 . . 3.430 2.873 2.634 3.131 . 0 0 "[ . 1 . 2]" 1
1753 1 52 TYR QE 1 65 GLN HB2 . . 3.670 3.325 2.964 3.647 . 0 0 "[ . 1 . 2]" 1
1754 1 50 VAL MG1 1 52 TYR QE . . 4.770 4.583 4.294 4.767 . 0 0 "[ . 1 . 2]" 1
1755 1 52 TYR QE 1 67 LEU MD1 . . 4.280 3.623 2.952 4.131 . 0 0 "[ . 1 . 2]" 1
1756 1 52 TYR QE 1 65 GLN HB3 . . 3.850 2.898 2.368 3.245 . 0 0 "[ . 1 . 2]" 1
1757 1 52 TYR QE 1 67 LEU HB3 . . 4.360 3.705 3.286 4.042 . 0 0 "[ . 1 . 2]" 1
1758 1 52 TYR QE 1 66 ASN HA . . 4.250 3.801 3.207 4.174 . 0 0 "[ . 1 . 2]" 1
1759 1 52 TYR H 1 52 TYR QE . . 4.490 4.187 3.816 4.493 0.003 18 0 "[ . 1 . 2]" 1
1760 1 52 TYR QE 1 67 LEU H . . 4.000 3.553 2.965 3.971 . 0 0 "[ . 1 . 2]" 1
1761 1 54 GLN QB 1 88 TYR QD . . 4.730 4.061 3.857 4.436 . 0 0 "[ . 1 . 2]" 1
1762 1 83 LYS QB 1 88 TYR QD . . 5.200 4.418 4.199 4.818 . 0 0 "[ . 1 . 2]" 1
1763 1 54 GLN H 1 88 TYR QD . . 4.940 3.879 3.496 4.417 . 0 0 "[ . 1 . 2]" 1
1764 1 82 LEU MD2 1 88 TYR QE . . 3.840 3.323 2.892 3.732 . 0 0 "[ . 1 . 2]" 1
1765 1 88 TYR QE 1 111 THR MG . . 3.920 3.437 2.990 3.847 . 0 0 "[ . 1 . 2]" 1
1766 1 82 LEU HB3 1 88 TYR QE . . 3.620 3.393 3.203 3.547 . 0 0 "[ . 1 . 2]" 1
1767 1 83 LYS QB 1 88 TYR QE . . 3.530 2.267 1.990 2.652 . 0 0 "[ . 1 . 2]" 1
1768 1 54 GLN HG3 1 88 TYR QE . . 3.670 3.280 2.881 3.543 . 0 0 "[ . 1 . 2]" 1
1769 1 82 LEU HA 1 88 TYR QE . . 4.280 4.194 3.880 4.287 0.007 11 0 "[ . 1 . 2]" 1
1770 1 88 TYR HA 1 88 TYR QE . . 4.770 4.473 4.435 4.517 . 0 0 "[ . 1 . 2]" 1
1771 1 88 TYR QE 1 111 THR HG1 . . 4.280 3.693 3.159 4.160 . 0 0 "[ . 1 . 2]" 1
1772 1 52 TYR QE 1 88 TYR QE . . 4.900 4.718 4.176 4.904 0.004 18 0 "[ . 1 . 2]" 1
1773 1 83 LYS H 1 88 TYR QE . . 3.620 2.574 2.323 2.845 . 0 0 "[ . 1 . 2]" 1
1774 1 88 TYR QE 1 111 THR H . . 5.500 5.233 4.969 5.510 0.010 13 0 "[ . 1 . 2]" 1
1775 1 49 ARG HB2 1 95 TYR QD . . 3.560 2.099 1.994 2.372 . 0 0 "[ . 1 . 2]" 1
1776 1 49 ARG HB3 1 95 TYR QD . . 3.620 3.239 2.814 3.605 . 0 0 "[ . 1 . 2]" 1
1777 1 95 TYR QD 1 97 ASN HA . . 4.490 3.668 3.433 4.003 . 0 0 "[ . 1 . 2]" 1
1778 1 95 TYR QD 1 96 PHE HA . . 3.810 3.645 3.159 3.817 0.007 17 0 "[ . 1 . 2]" 1
1779 1 95 TYR HA 1 95 TYR QD . . 3.810 3.610 3.491 3.672 . 0 0 "[ . 1 . 2]" 1
1780 1 49 ARG HA 1 95 TYR QD . . 4.140 3.742 3.357 4.105 . 0 0 "[ . 1 . 2]" 1
1781 1 46 GLN H 1 95 TYR QD . . 5.230 4.656 3.966 5.083 . 0 0 "[ . 1 . 2]" 1
1782 1 48 TYR H 1 95 TYR QD . . 5.500 4.195 3.394 4.664 . 0 0 "[ . 1 . 2]" 1
1783 1 95 TYR QD 1 96 PHE H . . 3.810 2.948 2.769 3.215 . 0 0 "[ . 1 . 2]" 1
1784 1 95 TYR QD 1 97 ASN H . . 3.900 3.419 3.141 3.757 . 0 0 "[ . 1 . 2]" 1
1785 1 49 ARG H 1 95 TYR QD . . 3.670 2.145 1.894 2.604 . 0 0 "[ . 1 . 2]" 1
1786 1 46 GLN HB3 1 95 TYR QE . . 3.990 3.739 2.760 3.999 0.009 15 0 "[ . 1 . 2]" 1
1787 1 68 ASP HB3 1 95 TYR QE . . 4.980 4.191 2.875 4.795 . 0 0 "[ . 1 . 2]" 1
1788 1 47 GLY HA2 1 95 TYR QE . . 5.330 5.062 4.496 5.315 . 0 0 "[ . 1 . 2]" 1
1789 1 47 GLY HA3 1 95 TYR QE . . 4.000 3.669 3.106 3.982 . 0 0 "[ . 1 . 2]" 1
1790 1 52 TYR QE 1 79 LEU HA . . 5.330 4.873 4.553 5.230 . 0 0 "[ . 1 . 2]" 1
1791 1 95 TYR QE 1 96 PHE HA . . 5.500 4.579 4.149 4.784 . 0 0 "[ . 1 . 2]" 1
1792 1 68 ASP HA 1 95 TYR QE . . 4.120 3.491 2.876 3.891 . 0 0 "[ . 1 . 2]" 1
1793 1 49 ARG HA 1 95 TYR QE . . 4.000 3.349 2.994 3.808 . 0 0 "[ . 1 . 2]" 1
1794 1 48 TYR H 1 95 TYR QE . . 3.670 2.995 2.026 3.660 . 0 0 "[ . 1 . 2]" 1
1795 1 49 ARG H 1 95 TYR QE . . 3.900 3.459 2.967 3.874 . 0 0 "[ . 1 . 2]" 1
1796 1 10 VAL MG1 1 44 PHE QD . . 4.610 3.973 2.394 4.660 0.050 12 0 "[ . 1 . 2]" 1
1797 1 10 VAL MG2 1 44 PHE QD . . 4.610 2.395 1.958 3.077 . 0 0 "[ . 1 . 2]" 1
1798 1 10 VAL HB 1 44 PHE QD . . 4.970 3.969 2.686 4.970 0.000 4 0 "[ . 1 . 2]" 1
1799 1 44 PHE QD 1 45 ILE HB . . 4.550 4.212 3.923 4.410 . 0 0 "[ . 1 . 2]" 1
1800 1 13 GLU QB 1 44 PHE QD . . 3.900 3.819 3.551 3.971 0.071 18 0 "[ . 1 . 2]" 1
1801 1 10 VAL HA 1 44 PHE QD . . 4.490 3.280 2.681 3.628 . 0 0 "[ . 1 . 2]" 1
1802 1 44 PHE QD 1 45 ILE HA . . 4.490 3.378 2.904 3.913 . 0 0 "[ . 1 . 2]" 1
1803 1 44 PHE QD 1 96 PHE QD . . 3.820 2.579 1.980 3.264 . 0 0 "[ . 1 . 2]" 1
1804 1 44 PHE QD 1 99 PHE HZ . . 4.280 4.283 4.215 4.328 0.048 12 0 "[ . 1 . 2]" 1
1805 1 44 PHE H 1 44 PHE QD . . 3.900 1.985 1.884 2.432 . 0 0 "[ . 1 . 2]" 1
1806 1 14 LEU HB2 1 44 PHE QE . . 4.280 2.743 2.378 3.148 . 0 0 "[ . 1 . 2]" 1
1807 1 13 GLU QB 1 44 PHE QE . . 4.280 2.432 1.927 3.428 . 0 0 "[ . 1 . 2]" 1
1808 1 13 GLU QB 1 44 PHE HZ . . 4.810 3.411 1.988 4.567 . 0 0 "[ . 1 . 2]" 1
1809 1 14 LEU HA 1 44 PHE HZ . . 4.490 2.318 2.016 3.163 . 0 0 "[ . 1 . 2]" 1
1810 1 14 LEU MD1 1 99 PHE QE . . 4.950 2.877 2.101 3.981 . 0 0 "[ . 1 . 2]" 1
1811 1 14 LEU MD2 1 99 PHE QE . . 4.950 3.432 2.749 3.996 . 0 0 "[ . 1 . 2]" 1
1812 1 46 GLN HB2 1 96 PHE QD . . 3.900 3.555 2.618 3.925 0.025 13 0 "[ . 1 . 2]" 1
1813 1 46 GLN QG 1 96 PHE QD . . 3.900 2.508 1.937 3.067 . 0 0 "[ . 1 . 2]" 1
1814 1 96 PHE QB 1 99 PHE QE . . 3.640 2.163 1.957 2.478 . 0 0 "[ . 1 . 2]" 1
1815 1 45 ILE HA 1 96 PHE QD . . 3.900 2.676 2.319 3.373 . 0 0 "[ . 1 . 2]" 1
1816 1 96 PHE HA 1 96 PHE QD . . 3.620 2.354 2.017 3.119 . 0 0 "[ . 1 . 2]" 1
1817 1 46 GLN H 1 96 PHE QD . . 4.000 3.123 2.709 4.007 0.007 14 0 "[ . 1 . 2]" 1
1818 1 96 PHE H 1 96 PHE QD . . 5.160 4.227 4.167 4.270 . 0 0 "[ . 1 . 2]" 1
1819 1 96 PHE H 1 99 PHE QE . . 5.320 3.501 3.053 3.995 . 0 0 "[ . 1 . 2]" 1
1820 1 14 LEU MD1 1 99 PHE QD . . 4.650 2.473 1.971 3.240 . 0 0 "[ . 1 . 2]" 1
1821 1 14 LEU MD2 1 99 PHE QD . . 4.650 2.290 1.900 2.673 . 0 0 "[ . 1 . 2]" 1
1822 1 14 LEU HG 1 99 PHE QD . . 5.500 4.570 4.051 5.036 . 0 0 "[ . 1 . 2]" 1
1823 1 98 GLU HB2 1 99 PHE QD . . 4.870 4.810 4.641 4.969 0.099 5 0 "[ . 1 . 2]" 1
1824 1 11 GLN QG 1 99 PHE QD . . 4.870 4.620 3.912 4.876 0.006 20 0 "[ . 1 . 2]" 1
1825 1 97 ASN HB3 1 99 PHE QD . . 5.500 4.943 4.125 5.360 . 0 0 "[ . 1 . 2]" 1
1826 1 96 PHE QB 1 99 PHE QD . . 4.610 3.518 3.178 3.757 . 0 0 "[ . 1 . 2]" 1
1827 1 7 GLY HA2 1 96 PHE QE . . 4.890 4.598 3.720 4.902 0.012 16 0 "[ . 1 . 2]" 1
1828 1 44 PHE HA 1 96 PHE QE . . 5.280 3.593 2.947 4.626 . 0 0 "[ . 1 . 2]" 1
1829 1 46 GLN HA 1 96 PHE QE . . 5.500 4.712 4.252 5.188 . 0 0 "[ . 1 . 2]" 1
1830 1 96 PHE HA 1 96 PHE QE . . 5.500 4.503 4.376 4.649 . 0 0 "[ . 1 . 2]" 1
1831 1 99 PHE HA 1 99 PHE QD . . 3.680 3.647 3.569 3.696 0.016 16 0 "[ . 1 . 2]" 1
1832 1 44 PHE QD 1 96 PHE QE . . 4.460 3.694 2.565 4.365 . 0 0 "[ . 1 . 2]" 1
1833 1 96 PHE QE 1 97 ASN HD22 . . 4.770 3.714 2.334 4.735 . 0 0 "[ . 1 . 2]" 1
1834 1 99 PHE H 1 99 PHE QD . . 3.520 2.177 1.939 2.483 . 0 0 "[ . 1 . 2]" 1
1835 1 99 PHE QD 1 100 GLN H . . 4.250 3.897 3.473 4.272 0.022 6 0 "[ . 1 . 2]" 1
1836 1 98 GLU H 1 99 PHE QD . . 4.490 3.216 2.891 3.498 . 0 0 "[ . 1 . 2]" 1
1837 1 9 GLN QG 1 44 PHE HZ . . 5.500 5.460 5.276 5.535 0.035 3 0 "[ . 1 . 2]" 1
1838 1 64 TRP HH2 1 91 LYS HE2 . . 4.800 2.899 2.498 3.665 . 0 0 "[ . 1 . 2]" 1
1839 1 86 VAL H 1 88 TYR QE . . 4.800 4.722 4.467 4.804 0.004 15 0 "[ . 1 . 2]" 1
1840 1 36 TRP HH2 1 92 VAL MG2 . . 4.800 4.205 3.666 4.685 . 0 0 "[ . 1 . 2]" 1
1841 1 36 TRP HH2 1 75 ARG HA . . 4.800 3.950 3.616 4.233 . 0 0 "[ . 1 . 2]" 1
1842 1 36 TRP HH2 1 77 ALA HA . . 4.800 4.536 4.120 4.788 . 0 0 "[ . 1 . 2]" 1
1843 1 7 GLY HA3 1 96 PHE HZ . . 5.400 4.764 4.072 5.411 0.011 5 0 "[ . 1 . 2]" 1
1844 1 48 TYR QE 1 94 PRO HB3 . . 3.520 2.301 1.996 2.612 . 0 0 "[ . 1 . 2]" 1
1845 1 54 GLN HG3 1 88 TYR QD . . 4.800 3.997 3.712 4.565 . 0 0 "[ . 1 . 2]" 1
1846 1 7 GLY QA 1 10 VAL H . . 4.340 3.561 3.301 3.943 . 0 0 "[ . 1 . 2]" 1
1847 1 7 GLY QA 1 10 VAL HB . . 4.120 3.139 2.427 4.127 0.007 4 0 "[ . 1 . 2]" 1
1848 1 7 GLY QA 1 10 VAL QG . . 3.750 2.772 1.918 3.566 . 0 0 "[ . 1 . 2]" 1
1849 1 7 GLY QA 1 96 PHE QE . . 4.020 3.773 3.380 4.041 0.021 12 0 "[ . 1 . 2]" 1
1850 1 7 GLY QA 1 96 PHE HZ . . 4.740 4.357 3.888 4.739 . 0 0 "[ . 1 . 2]" 1
1851 1 8 ARG H 1 8 ARG QG . . 3.740 2.925 2.023 3.829 0.089 20 0 "[ . 1 . 2]" 1
1852 1 8 ARG HA 1 8 ARG QG . . 3.620 2.607 2.148 3.424 . 0 0 "[ . 1 . 2]" 1
1853 1 8 ARG HA 1 10 VAL QG . . 4.720 3.587 3.289 4.393 . 0 0 "[ . 1 . 2]" 1
1854 1 8 ARG QB 1 10 VAL QG . . 5.140 4.674 4.400 5.030 . 0 0 "[ . 1 . 2]" 1
1855 1 8 ARG QG 1 9 GLN H . . 5.170 3.658 1.877 4.418 . 0 0 "[ . 1 . 2]" 1
1856 1 9 GLN HA 1 12 LYS QG . . 4.770 4.001 3.176 4.666 . 0 0 "[ . 1 . 2]" 1
1857 1 9 GLN QB 1 10 VAL QG . . 4.730 4.494 3.800 4.831 0.101 11 0 "[ . 1 . 2]" 1
1858 1 10 VAL H 1 10 VAL QG . . 3.200 2.099 1.914 2.492 . 0 0 "[ . 1 . 2]" 1
1859 1 10 VAL HA 1 10 VAL QG . . 3.080 2.152 2.025 2.314 . 0 0 "[ . 1 . 2]" 1
1860 1 10 VAL HA 1 44 PHE QB . . 4.770 3.887 3.528 4.295 . 0 0 "[ . 1 . 2]" 1
1861 1 10 VAL QG 1 11 GLN H . . 3.880 2.118 1.730 2.929 . 0 0 "[ . 1 . 2]" 1
1862 1 10 VAL QG 1 11 GLN HA . . 4.370 3.204 2.973 3.658 . 0 0 "[ . 1 . 2]" 1
1863 1 10 VAL QG 1 11 GLN QB . . 4.030 3.288 2.730 4.074 0.044 7 0 "[ . 1 . 2]" 1
1864 1 10 VAL MG1 1 11 GLN HB2 . . 6.250 3.545 2.803 4.710 . 0 0 "[ . 1 . 2]" 1
1865 1 10 VAL QG 1 11 GLN QG . . 3.830 2.322 1.958 2.840 . 0 0 "[ . 1 . 2]" 1
1866 1 10 VAL QG 1 14 LEU HB2 . . 4.850 3.039 2.401 3.525 . 0 0 "[ . 1 . 2]" 1
1867 1 10 VAL QG 1 14 LEU HB3 . . 4.850 3.908 3.510 4.330 . 0 0 "[ . 1 . 2]" 1
1868 1 10 VAL QG 1 14 LEU QD . . 3.230 3.028 2.609 3.235 0.005 6 0 "[ . 1 . 2]" 1
1869 1 10 VAL QG 1 44 PHE HA . . 5.440 5.182 4.730 5.492 0.052 14 0 "[ . 1 . 2]" 1
1870 1 10 VAL QG 1 44 PHE QB . . 3.790 3.144 2.759 3.645 . 0 0 "[ . 1 . 2]" 1
1871 1 10 VAL QG 1 44 PHE QD . . 3.950 2.244 1.954 2.482 . 0 0 "[ . 1 . 2]" 1
1872 1 10 VAL QG 1 44 PHE QE . . 4.040 2.111 1.825 2.503 . 0 0 "[ . 1 . 2]" 1
1873 1 10 VAL QG 1 44 PHE HZ . . 4.760 3.545 2.829 4.082 . 0 0 "[ . 1 . 2]" 1
1874 1 10 VAL QG 1 96 PHE QB . . 3.810 2.650 2.345 3.058 . 0 0 "[ . 1 . 2]" 1
1875 1 10 VAL QG 1 96 PHE QD . . 4.540 2.573 1.914 3.106 . 0 0 "[ . 1 . 2]" 1
1876 1 10 VAL QG 1 96 PHE QE . . 3.840 3.288 2.161 3.862 0.022 10 0 "[ . 1 . 2]" 1
1877 1 10 VAL QG 1 99 PHE HB2 . . 5.190 5.058 4.812 5.192 0.002 9 0 "[ . 1 . 2]" 1
1878 1 10 VAL QG 1 99 PHE HB3 . . 5.440 5.358 5.208 5.457 0.017 1 0 "[ . 1 . 2]" 1
1879 1 10 VAL QG 1 99 PHE QD . . 3.900 3.523 3.320 3.630 . 0 0 "[ . 1 . 2]" 1
1880 1 10 VAL QG 1 99 PHE QE . . 3.800 1.960 1.830 2.142 . 0 0 "[ . 1 . 2]" 1
1881 1 11 GLN H 1 11 GLN QB . . 3.110 2.305 2.156 2.634 . 0 0 "[ . 1 . 2]" 1
1882 1 11 GLN HA 1 14 LEU QD . . 4.050 3.017 2.736 3.545 . 0 0 "[ . 1 . 2]" 1
1883 1 11 GLN QG 1 14 LEU QD . . 3.640 3.468 3.055 3.671 0.031 20 0 "[ . 1 . 2]" 1
1884 1 12 LYS H 1 12 LYS QG . . 4.270 4.093 4.014 4.200 . 0 0 "[ . 1 . 2]" 1
1885 1 12 LYS QE 1 12 LYS QG . . 3.280 2.250 2.065 2.509 . 0 0 "[ . 1 . 2]" 1
1886 1 12 LYS QG 1 13 GLU HA . . 5.340 4.308 3.546 5.051 . 0 0 "[ . 1 . 2]" 1
1887 1 13 GLU H 1 13 GLU QG . . 3.860 3.841 3.775 3.898 0.038 13 0 "[ . 1 . 2]" 1
1888 1 13 GLU HA 1 13 GLU QG . . 3.270 3.008 2.640 3.222 . 0 0 "[ . 1 . 2]" 1
1889 1 13 GLU HA 1 17 VAL QG . . 4.850 3.890 3.050 4.362 . 0 0 "[ . 1 . 2]" 1
1890 1 13 GLU QG 1 14 LEU H . . 4.290 3.068 2.915 3.369 . 0 0 "[ . 1 . 2]" 1
1891 1 13 GLU QG 1 14 LEU HA . . 4.030 3.127 3.026 3.257 . 0 0 "[ . 1 . 2]" 1
1892 1 13 GLU QG 1 14 LEU HB2 . . 4.560 4.559 4.437 4.620 0.060 12 0 "[ . 1 . 2]" 1
1893 1 13 GLU QG 1 17 VAL QG . . 3.170 2.381 1.780 3.135 . 0 0 "[ . 1 . 2]" 1
1894 1 13 GLU QG 1 44 PHE QD . . 4.490 3.715 3.140 4.062 . 0 0 "[ . 1 . 2]" 1
1895 1 13 GLU QG 1 44 PHE QE . . 4.770 1.992 1.810 2.196 . 0 0 "[ . 1 . 2]" 1
1896 1 13 GLU QG 1 44 PHE HZ . . 5.340 2.883 1.909 3.747 . 0 0 "[ . 1 . 2]" 1
1897 1 14 LEU H 1 14 LEU QD . . 4.080 3.723 3.674 3.763 . 0 0 "[ . 1 . 2]" 1
1898 1 14 LEU HA 1 14 LEU QD . . 3.270 2.554 2.272 2.684 . 0 0 "[ . 1 . 2]" 1
1899 1 14 LEU HA 1 17 VAL QG . . 3.480 2.895 2.231 3.333 . 0 0 "[ . 1 . 2]" 1
1900 1 14 LEU HB2 1 14 LEU QD . . 3.100 2.018 1.962 2.101 . 0 0 "[ . 1 . 2]" 1
1901 1 14 LEU HG 1 17 VAL QG . . 5.440 4.655 4.211 5.179 . 0 0 "[ . 1 . 2]" 1
1902 1 14 LEU QD 1 15 GLY H . . 4.500 3.073 2.763 3.685 . 0 0 "[ . 1 . 2]" 1
1903 1 14 LEU QD 1 15 GLY HA3 . . 4.890 3.994 3.741 4.362 . 0 0 "[ . 1 . 2]" 1
1904 1 14 LEU QD 1 44 PHE QE . . 4.270 2.678 2.165 3.384 . 0 0 "[ . 1 . 2]" 1
1905 1 14 LEU QD 1 44 PHE HZ . . 4.730 3.113 2.038 4.400 . 0 0 "[ . 1 . 2]" 1
1906 1 14 LEU QD 1 45 ILE HA . . 5.340 4.767 4.200 5.343 0.003 2 0 "[ . 1 . 2]" 1
1907 1 14 LEU QD 1 94 PRO HB2 . . 3.810 3.016 2.120 3.548 . 0 0 "[ . 1 . 2]" 1
1908 1 14 LEU QD 1 94 PRO HG2 . . 3.810 2.793 2.293 3.175 . 0 0 "[ . 1 . 2]" 1
1909 1 14 LEU QD 1 94 PRO HG3 . . 4.480 4.061 3.505 4.476 . 0 0 "[ . 1 . 2]" 1
1910 1 14 LEU QD 1 95 TYR HA . . 3.860 2.895 2.093 3.216 . 0 0 "[ . 1 . 2]" 1
1911 1 14 LEU QD 1 96 PHE H . . 3.850 3.474 3.001 3.787 . 0 0 "[ . 1 . 2]" 1
1912 1 14 LEU QD 1 96 PHE HA . . 5.440 4.868 4.395 5.307 . 0 0 "[ . 1 . 2]" 1
1913 1 14 LEU QD 1 96 PHE QB . . 3.640 3.343 2.953 3.638 . 0 0 "[ . 1 . 2]" 1
1914 1 14 LEU QD 1 99 PHE HB2 . . 3.910 2.857 2.379 3.234 . 0 0 "[ . 1 . 2]" 1
1915 1 14 LEU QD 1 99 PHE HB3 . . 4.360 4.096 3.666 4.385 0.025 16 0 "[ . 1 . 2]" 1
1916 1 14 LEU QD 1 99 PHE QD . . 4.050 2.079 1.814 2.367 . 0 0 "[ . 1 . 2]" 1
1917 1 14 LEU QD 1 99 PHE QE . . 4.180 2.710 2.070 3.276 . 0 0 "[ . 1 . 2]" 1
1918 1 14 LEU QD 1 100 GLN H . . 4.830 3.537 3.173 3.981 . 0 0 "[ . 1 . 2]" 1
1919 1 14 LEU QD 1 100 GLN HA . . 4.030 3.053 2.579 3.484 . 0 0 "[ . 1 . 2]" 1
1920 1 14 LEU QD 1 101 GLY H . . 3.860 2.193 1.831 2.961 . 0 0 "[ . 1 . 2]" 1
1921 1 14 LEU QD 1 101 GLY HA2 . . 4.170 2.144 1.946 2.560 . 0 0 "[ . 1 . 2]" 1
1922 1 14 LEU QD 1 101 GLY HA3 . . 4.260 2.309 1.953 2.850 . 0 0 "[ . 1 . 2]" 1
1923 1 15 GLY H 1 17 VAL QG . . 4.880 4.576 4.100 4.883 0.003 2 0 "[ . 1 . 2]" 1
1924 1 15 GLY HA2 1 102 MET QG . . 4.250 2.801 2.052 3.747 . 0 0 "[ . 1 . 2]" 1
1925 1 15 GLY HA3 1 102 MET QB . . 5.340 4.662 3.146 5.346 0.006 14 0 "[ . 1 . 2]" 1
1926 1 15 GLY HA3 1 102 MET QG . . 4.570 3.843 3.146 4.579 0.009 18 0 "[ . 1 . 2]" 1
1927 1 16 ASP HB2 1 17 VAL QG . . 5.440 4.432 3.483 5.281 . 0 0 "[ . 1 . 2]" 1
1928 1 16 ASP HB3 1 17 VAL QG . . 5.440 3.806 3.232 4.615 . 0 0 "[ . 1 . 2]" 1
1929 1 17 VAL H 1 17 VAL QG . . 3.250 2.180 1.870 2.997 . 0 0 "[ . 1 . 2]" 1
1930 1 17 VAL HA 1 18 LEU QB . . 4.360 3.990 3.909 4.095 . 0 0 "[ . 1 . 2]" 1
1931 1 17 VAL HA 1 40 ARG QD . . 4.390 3.715 2.100 4.395 0.005 2 0 "[ . 1 . 2]" 1
1932 1 17 VAL QG 1 18 LEU H . . 3.390 2.382 1.908 2.866 . 0 0 "[ . 1 . 2]" 1
1933 1 17 VAL QG 1 38 VAL HA . . 4.850 3.651 3.312 4.045 . 0 0 "[ . 1 . 2]" 1
1934 1 17 VAL QG 1 39 ASP H . . 4.300 3.519 2.693 4.194 . 0 0 "[ . 1 . 2]" 1
1935 1 17 VAL QG 1 40 ARG H . . 3.940 2.715 1.707 3.720 . 0 0 "[ . 1 . 2]" 1
1936 1 17 VAL QG 1 40 ARG QD . . 4.850 3.916 3.217 4.601 . 0 0 "[ . 1 . 2]" 1
1937 1 17 VAL QG 1 41 GLN HA . . 5.280 3.478 3.073 3.806 . 0 0 "[ . 1 . 2]" 1
1938 1 17 VAL QG 1 42 PRO HA . . 5.440 3.967 3.306 4.665 . 0 0 "[ . 1 . 2]" 1
1939 1 17 VAL QG 1 42 PRO QG . . 3.910 2.578 2.076 3.376 . 0 0 "[ . 1 . 2]" 1
1940 1 17 VAL QG 1 42 PRO HD3 . . 3.790 2.154 1.891 2.640 . 0 0 "[ . 1 . 2]" 1
1941 1 18 LEU H 1 18 LEU QB . . 3.180 2.413 2.266 2.530 . 0 0 "[ . 1 . 2]" 1
1942 1 18 LEU H 1 18 LEU QD . . 4.460 3.776 3.613 3.892 . 0 0 "[ . 1 . 2]" 1
1943 1 18 LEU HA 1 18 LEU QD . . 3.200 2.638 1.980 3.045 . 0 0 "[ . 1 . 2]" 1
1944 1 18 LEU QB 1 39 ASP QB . . 3.700 3.181 2.330 3.685 . 0 0 "[ . 1 . 2]" 1
1945 1 18 LEU QB 1 102 MET ME . . 5.340 4.290 2.764 4.998 . 0 0 "[ . 1 . 2]" 1
1946 1 18 LEU QD 1 19 VAL H . . 3.920 3.059 2.289 3.911 . 0 0 "[ . 1 . 2]" 1
1947 1 18 LEU QD 1 20 ARG QD . . 4.410 3.960 3.238 4.424 0.014 13 0 "[ . 1 . 2]" 1
1948 1 18 LEU QD 1 39 ASP QB . . 4.670 4.071 3.499 4.667 . 0 0 "[ . 1 . 2]" 1
1949 1 19 VAL HB 1 104 SER QB . . 3.610 2.622 2.036 3.591 . 0 0 "[ . 1 . 2]" 1
1950 1 19 VAL MG1 1 104 SER QB . . 3.430 2.439 1.951 3.387 . 0 0 "[ . 1 . 2]" 1
1951 1 19 VAL MG2 1 104 SER QB . . 4.620 3.952 3.431 4.686 0.066 16 0 "[ . 1 . 2]" 1
1952 1 20 ARG H 1 20 ARG QG . . 4.180 3.435 2.492 4.123 . 0 0 "[ . 1 . 2]" 1
1953 1 20 ARG HA 1 20 ARG QG . . 3.670 2.417 2.139 3.047 . 0 0 "[ . 1 . 2]" 1
1954 1 20 ARG HA 1 20 ARG QD . . 4.530 3.421 2.100 4.119 . 0 0 "[ . 1 . 2]" 1
1955 1 20 ARG QG 1 21 LEU H . . 4.570 3.871 2.498 4.489 . 0 0 "[ . 1 . 2]" 1
1956 1 20 ARG QG 1 37 THR H . . 5.340 4.656 3.067 5.234 . 0 0 "[ . 1 . 2]" 1
1957 1 20 ARG QD 1 22 HIS HD2 . . 5.340 5.075 3.371 5.347 0.007 14 0 "[ . 1 . 2]" 1
1958 1 20 ARG QD 1 37 THR MG . . 5.340 3.941 2.066 5.285 . 0 0 "[ . 1 . 2]" 1
1959 1 21 LEU H 1 21 LEU QD . . 3.970 3.715 3.495 3.863 . 0 0 "[ . 1 . 2]" 1
1960 1 21 LEU H 1 104 SER QB . . 4.730 2.960 2.039 3.757 . 0 0 "[ . 1 . 2]" 1
1961 1 21 LEU HA 1 21 LEU QD . . 3.270 2.095 1.950 2.839 . 0 0 "[ . 1 . 2]" 1
1962 1 21 LEU HB2 1 104 SER QB . . 4.150 2.342 1.954 3.394 . 0 0 "[ . 1 . 2]" 1
1963 1 21 LEU HB3 1 21 LEU QD . . 3.110 2.213 2.051 2.359 . 0 0 "[ . 1 . 2]" 1
1964 1 21 LEU HB3 1 104 SER QB . . 4.340 3.191 2.519 3.597 . 0 0 "[ . 1 . 2]" 1
1965 1 21 LEU QD 1 22 HIS H . . 3.680 2.770 2.013 3.541 . 0 0 "[ . 1 . 2]" 1
1966 1 21 LEU QD 1 24 PRO QD . . 4.200 3.344 2.729 3.758 . 0 0 "[ . 1 . 2]" 1
1967 1 21 LEU QD 1 34 VAL HB . . 4.690 4.488 4.128 4.699 0.009 10 0 "[ . 1 . 2]" 1
1968 1 21 LEU QD 1 35 THR H . . 4.210 3.191 2.525 3.679 . 0 0 "[ . 1 . 2]" 1
1969 1 21 LEU QD 1 36 TRP H . . 5.080 4.385 4.096 4.923 . 0 0 "[ . 1 . 2]" 1
1970 1 21 LEU QD 1 36 TRP HA . . 4.330 3.302 3.010 3.911 . 0 0 "[ . 1 . 2]" 1
1971 1 21 LEU QD 1 36 TRP HB2 . . 3.920 3.286 2.703 3.930 0.010 17 0 "[ . 1 . 2]" 1
1972 1 21 LEU QD 1 36 TRP HB3 . . 3.660 2.277 1.849 3.100 . 0 0 "[ . 1 . 2]" 1
1973 1 21 LEU QD 1 36 TRP HE3 . . 4.220 3.081 2.723 3.915 . 0 0 "[ . 1 . 2]" 1
1974 1 21 LEU QD 1 91 LYS HA . . 3.470 2.040 1.777 2.336 . 0 0 "[ . 1 . 2]" 1
1975 1 21 LEU QD 1 91 LYS HB2 . . 4.460 3.676 3.373 4.004 . 0 0 "[ . 1 . 2]" 1
1976 1 21 LEU QD 1 91 LYS HB3 . . 4.610 3.737 3.159 4.346 . 0 0 "[ . 1 . 2]" 1
1977 1 21 LEU QD 1 92 VAL H . . 3.630 2.397 1.795 3.096 . 0 0 "[ . 1 . 2]" 1
1978 1 21 LEU QD 1 104 SER H . . 5.440 4.576 4.106 4.986 . 0 0 "[ . 1 . 2]" 1
1979 1 21 LEU QD 1 104 SER QB . . 4.260 2.938 1.973 3.854 . 0 0 "[ . 1 . 2]" 1
1980 1 21 LEU QD 1 105 GLU H . . 4.800 4.293 4.027 4.790 . 0 0 "[ . 1 . 2]" 1
1981 1 21 LEU QD 1 106 SER HA . . 4.050 3.121 2.474 3.750 . 0 0 "[ . 1 . 2]" 1
1982 1 21 LEU QD 1 107 LYS H . . 3.780 2.548 1.963 3.309 . 0 0 "[ . 1 . 2]" 1
1983 1 21 LEU QD 1 107 LYS QB . . 3.760 2.447 1.947 3.059 . 0 0 "[ . 1 . 2]" 1
1984 1 21 LEU QD 1 107 LYS QG . . 3.580 2.334 1.714 2.905 . 0 0 "[ . 1 . 2]" 1
1985 1 21 LEU QD 1 107 LYS QD . . 4.780 3.940 3.167 4.531 . 0 0 "[ . 1 . 2]" 1
1986 1 21 LEU QD 1 107 LYS QE . . 4.330 3.840 2.818 4.319 . 0 0 "[ . 1 . 2]" 1
1987 1 23 ASN H 1 23 ASN QB . . 3.610 2.653 2.144 3.290 . 0 0 "[ . 1 . 2]" 1
1988 1 23 ASN QB 1 24 PRO QD . . 4.300 2.969 2.236 3.501 . 0 0 "[ . 1 . 2]" 1
1989 1 24 PRO QB 1 25 VAL H . . 3.930 3.857 3.736 3.904 . 0 0 "[ . 1 . 2]" 1
1990 1 24 PRO QB 1 32 VAL MG1 . . 3.310 2.162 1.937 2.411 . 0 0 "[ . 1 . 2]" 1
1991 1 24 PRO QB 1 90 ILE MG . . 4.990 4.396 3.803 4.927 . 0 0 "[ . 1 . 2]" 1
1992 1 24 PRO QB 1 90 ILE MD . . 3.680 3.066 2.379 3.485 . 0 0 "[ . 1 . 2]" 1
1993 1 24 PRO QB 1 109 VAL H . . 5.340 4.915 4.612 5.242 . 0 0 "[ . 1 . 2]" 1
1994 1 24 PRO QB 1 109 VAL HA . . 5.010 4.385 3.816 4.739 . 0 0 "[ . 1 . 2]" 1
1995 1 24 PRO QB 1 109 VAL HB . . 3.610 2.397 1.982 2.775 . 0 0 "[ . 1 . 2]" 1
1996 1 24 PRO QB 1 109 VAL MG1 . . 3.490 3.148 2.926 3.401 . 0 0 "[ . 1 . 2]" 1
1997 1 24 PRO QB 1 109 VAL MG2 . . 4.160 2.687 2.124 3.133 . 0 0 "[ . 1 . 2]" 1
1998 1 24 PRO QD 1 90 ILE MD . . 4.770 4.549 4.447 4.680 . 0 0 "[ . 1 . 2]" 1
1999 1 24 PRO QD 1 107 LYS QB . . 3.220 1.903 1.747 2.154 . 0 0 "[ . 1 . 2]" 1
2000 1 24 PRO QD 1 107 LYS QG . . 3.960 2.687 2.392 2.902 . 0 0 "[ . 1 . 2]" 1
2001 1 24 PRO QD 1 107 LYS QD . . 4.300 3.073 2.508 4.078 . 0 0 "[ . 1 . 2]" 1
2002 1 24 PRO QD 1 107 LYS QE . . 4.480 3.870 2.594 4.434 . 0 0 "[ . 1 . 2]" 1
2003 1 24 PRO QD 1 109 VAL HB . . 4.770 3.964 3.827 4.187 . 0 0 "[ . 1 . 2]" 1
2004 1 24 PRO QD 1 109 VAL MG1 . . 5.350 4.952 4.833 5.227 . 0 0 "[ . 1 . 2]" 1
2005 1 24 PRO QD 1 109 VAL MG2 . . 5.350 4.450 4.238 4.716 . 0 0 "[ . 1 . 2]" 1
2006 1 25 VAL HB 1 27 LEU QD . . 3.750 3.242 2.871 3.573 . 0 0 "[ . 1 . 2]" 1
2007 1 25 VAL HB 1 33 GLN QB . . 3.270 2.746 2.188 3.089 . 0 0 "[ . 1 . 2]" 1
2008 1 26 VAL H 1 26 VAL QG . . 2.990 1.946 1.865 2.065 . 0 0 "[ . 1 . 2]" 1
2009 1 26 VAL HA 1 26 VAL QG . . 2.940 2.363 2.208 2.434 . 0 0 "[ . 1 . 2]" 1
2010 1 26 VAL HA 1 27 LEU QD . . 4.620 4.131 2.651 4.592 . 0 0 "[ . 1 . 2]" 1
2011 1 26 VAL QG 1 27 LEU H . . 3.370 2.947 2.651 3.314 . 0 0 "[ . 1 . 2]" 1
2012 1 26 VAL QG 1 28 THR H . . 3.610 2.949 2.616 3.573 . 0 0 "[ . 1 . 2]" 1
2013 1 26 VAL QG 1 29 PRO HA . . 4.130 3.527 3.171 3.689 . 0 0 "[ . 1 . 2]" 1
2014 1 26 VAL QG 1 111 THR HA . . 3.250 2.230 1.987 2.412 . 0 0 "[ . 1 . 2]" 1
2015 1 26 VAL QG 1 112 THR H . . 3.340 2.822 2.446 3.151 . 0 0 "[ . 1 . 2]" 1
2016 1 27 LEU HA 1 27 LEU QD . . 2.720 2.097 1.959 2.295 . 0 0 "[ . 1 . 2]" 1
2017 1 27 LEU HB2 1 27 LEU QD . . 2.950 2.258 2.199 2.305 . 0 0 "[ . 1 . 2]" 1
2018 1 27 LEU HB2 1 78 VAL QG . . 5.440 4.759 4.474 5.021 . 0 0 "[ . 1 . 2]" 1
2019 1 27 LEU HB3 1 27 LEU QD . . 2.880 2.123 2.024 2.343 . 0 0 "[ . 1 . 2]" 1
2020 1 27 LEU QD 1 28 THR H . . 4.490 3.822 3.193 4.031 . 0 0 "[ . 1 . 2]" 1
2021 1 27 LEU QD 1 31 THR HB . . 4.380 4.141 3.839 4.354 . 0 0 "[ . 1 . 2]" 1
2022 1 27 LEU QD 1 31 THR MG . . 3.590 3.539 3.347 3.598 0.008 16 0 "[ . 1 . 2]" 1
2023 1 27 LEU QD 1 32 VAL H . . 4.920 4.771 4.023 4.930 0.010 15 0 "[ . 1 . 2]" 1
2024 1 27 LEU QD 1 32 VAL HA . . 5.000 3.444 2.062 3.910 . 0 0 "[ . 1 . 2]" 1
2025 1 27 LEU QD 1 33 GLN H . . 3.600 2.887 1.743 3.330 . 0 0 "[ . 1 . 2]" 1
2026 1 27 LEU QD 1 33 GLN HA . . 4.300 3.556 3.352 3.797 . 0 0 "[ . 1 . 2]" 1
2027 1 27 LEU QD 1 33 GLN QB . . 2.830 1.876 1.774 2.040 . 0 0 "[ . 1 . 2]" 1
2028 1 27 LEU QD 1 33 GLN QE . . 5.270 4.301 3.969 4.848 . 0 0 "[ . 1 . 2]" 1
2029 1 27 LEU QD 1 34 VAL H . . 5.440 5.116 4.840 5.352 . 0 0 "[ . 1 . 2]" 1
2030 1 28 THR HA 1 29 PRO QG . . 4.600 4.064 4.049 4.079 . 0 0 "[ . 1 . 2]" 1
2031 1 28 THR HB 1 29 PRO QG . . 4.250 3.513 3.495 3.554 . 0 0 "[ . 1 . 2]" 1
2032 1 29 PRO QG 1 84 LYS QE . . 4.770 3.578 3.126 4.276 . 0 0 "[ . 1 . 2]" 1
2033 1 30 THR MG 1 84 LYS QB . . 4.390 3.796 2.947 4.357 . 0 0 "[ . 1 . 2]" 1
2034 1 31 THR HA 1 78 VAL QG . . 4.460 3.992 3.787 4.208 . 0 0 "[ . 1 . 2]" 1
2035 1 31 THR HB 1 78 VAL QG . . 3.790 3.754 3.631 3.797 0.007 11 0 "[ . 1 . 2]" 1
2036 1 31 THR MG 1 78 VAL QG . . 2.780 1.768 1.695 1.859 . 0 0 "[ . 1 . 2]" 1
2037 1 32 VAL H 1 78 VAL QG . . 3.820 3.252 2.825 3.618 . 0 0 "[ . 1 . 2]" 1
2038 1 32 VAL H 1 79 LEU QB . . 4.150 3.162 2.836 3.385 . 0 0 "[ . 1 . 2]" 1
2039 1 33 GLN H 1 33 GLN QB . . 3.180 2.314 2.246 2.417 . 0 0 "[ . 1 . 2]" 1
2040 1 33 GLN H 1 33 GLN QG . . 4.180 3.998 3.897 4.129 . 0 0 "[ . 1 . 2]" 1
2041 1 33 GLN H 1 34 VAL QG . . 4.550 4.345 4.089 4.522 . 0 0 "[ . 1 . 2]" 1
2042 1 33 GLN HA 1 78 VAL QG . . 4.320 2.705 2.212 3.163 . 0 0 "[ . 1 . 2]" 1
2043 1 33 GLN QB 1 34 VAL H . . 3.840 3.638 3.305 3.882 0.042 13 0 "[ . 1 . 2]" 1
2044 1 33 GLN QG 1 34 VAL H . . 3.350 2.641 1.964 3.286 . 0 0 "[ . 1 . 2]" 1
2045 1 33 GLN QG 1 76 SER QB . . 4.490 3.681 3.012 4.414 . 0 0 "[ . 1 . 2]" 1
2046 1 33 GLN QE 1 35 THR MG . . 4.240 3.753 3.168 4.103 . 0 0 "[ . 1 . 2]" 1
2047 1 33 GLN QE 1 76 SER QB . . 3.940 2.655 1.804 3.244 . 0 0 "[ . 1 . 2]" 1
2048 1 33 GLN QE 1 78 VAL QG . . 4.380 3.973 3.368 4.384 0.004 11 0 "[ . 1 . 2]" 1
2049 1 34 VAL H 1 34 VAL QG . . 3.240 2.626 2.310 2.816 . 0 0 "[ . 1 . 2]" 1
2050 1 34 VAL H 1 78 VAL QG . . 4.360 3.501 3.017 4.188 . 0 0 "[ . 1 . 2]" 1
2051 1 34 VAL QG 1 35 THR H . . 3.480 2.332 1.956 2.730 . 0 0 "[ . 1 . 2]" 1
2052 1 34 VAL QG 1 36 TRP HB3 . . 4.620 3.702 3.517 3.883 . 0 0 "[ . 1 . 2]" 1
2053 1 34 VAL QG 1 36 TRP HE3 . . 3.210 2.244 1.974 2.520 . 0 0 "[ . 1 . 2]" 1
2054 1 34 VAL QG 1 36 TRP HZ3 . . 3.460 2.630 2.141 3.236 . 0 0 "[ . 1 . 2]" 1
2055 1 34 VAL QG 1 77 ALA H . . 4.350 3.478 3.150 3.877 . 0 0 "[ . 1 . 2]" 1
2056 1 34 VAL QG 1 79 LEU MD1 . . 3.180 2.198 1.912 2.426 . 0 0 "[ . 1 . 2]" 1
2057 1 34 VAL QG 1 92 VAL MG1 . . 4.620 4.271 3.907 4.625 0.005 15 0 "[ . 1 . 2]" 1
2058 1 34 VAL QG 1 92 VAL MG2 . . 3.420 2.518 2.064 2.771 . 0 0 "[ . 1 . 2]" 1
2059 1 35 THR MG 1 75 ARG QB . . 4.340 3.564 3.280 3.768 . 0 0 "[ . 1 . 2]" 1
2060 1 36 TRP H 1 75 ARG QB . . 5.190 3.121 2.750 3.433 . 0 0 "[ . 1 . 2]" 1
2061 1 36 TRP HE1 1 75 ARG QB . . 4.620 3.600 2.497 4.054 . 0 0 "[ . 1 . 2]" 1
2062 1 36 TRP HE1 1 75 ARG QD . . 4.090 3.155 1.988 4.097 0.007 4 0 "[ . 1 . 2]" 1
2063 1 38 VAL MG1 1 75 ARG QD . . 4.240 3.153 2.272 3.718 . 0 0 "[ . 1 . 2]" 1
2064 1 38 VAL MG2 1 41 GLN QB . . 4.080 2.456 1.925 3.373 . 0 0 "[ . 1 . 2]" 1
2065 1 38 VAL MG2 1 41 GLN QG . . 5.340 3.007 2.173 3.857 . 0 0 "[ . 1 . 2]" 1
2066 1 38 VAL MG2 1 75 ARG QD . . 4.770 2.941 2.335 3.598 . 0 0 "[ . 1 . 2]" 1
2067 1 40 ARG H 1 40 ARG QG . . 3.560 2.943 2.045 3.560 0.000 11 0 "[ . 1 . 2]" 1
2068 1 40 ARG HA 1 40 ARG QG . . 3.570 2.521 2.322 3.343 . 0 0 "[ . 1 . 2]" 1
2069 1 40 ARG HA 1 40 ARG QD . . 4.790 3.820 2.269 4.341 . 0 0 "[ . 1 . 2]" 1
2070 1 40 ARG HA 1 41 GLN QB . . 4.250 4.139 3.989 4.193 . 0 0 "[ . 1 . 2]" 1
2071 1 40 ARG QG 1 41 GLN H . . 5.000 4.413 3.824 4.733 . 0 0 "[ . 1 . 2]" 1
2072 1 41 GLN H 1 41 GLN QB . . 3.380 2.256 2.184 2.429 . 0 0 "[ . 1 . 2]" 1
2073 1 41 GLN HA 1 42 PRO QG . . 4.620 3.774 3.765 3.808 . 0 0 "[ . 1 . 2]" 1
2074 1 41 GLN QB 1 42 PRO HD2 . . 4.070 3.739 3.583 3.973 . 0 0 "[ . 1 . 2]" 1
2075 1 41 GLN QB 1 42 PRO HD3 . . 5.050 4.395 4.323 4.472 . 0 0 "[ . 1 . 2]" 1
2076 1 41 GLN QG 1 42 PRO HD2 . . 4.010 2.685 2.204 3.140 . 0 0 "[ . 1 . 2]" 1
2077 1 41 GLN QG 1 42 PRO HD3 . . 4.770 3.979 3.555 4.329 . 0 0 "[ . 1 . 2]" 1
2078 1 41 GLN QG 1 45 ILE MG . . 4.010 3.685 3.435 4.002 . 0 0 "[ . 1 . 2]" 1
2079 1 42 PRO HA 1 43 GLN QB . . 4.770 4.263 4.026 4.411 . 0 0 "[ . 1 . 2]" 1
2080 1 42 PRO QG 1 45 ILE MG . . 3.180 2.135 1.932 2.429 . 0 0 "[ . 1 . 2]" 1
2081 1 42 PRO QG 1 45 ILE HG12 . . 4.770 3.975 3.719 4.223 . 0 0 "[ . 1 . 2]" 1
2082 1 42 PRO QG 1 45 ILE MD . . 3.220 1.997 1.816 2.172 . 0 0 "[ . 1 . 2]" 1
2083 1 43 GLN H 1 43 GLN QB . . 3.450 2.333 2.201 2.686 . 0 0 "[ . 1 . 2]" 1
2084 1 43 GLN H 1 43 GLN QG . . 4.460 2.995 1.915 4.079 . 0 0 "[ . 1 . 2]" 1
2085 1 43 GLN QB 1 44 PHE H . . 3.940 2.521 2.359 3.332 . 0 0 "[ . 1 . 2]" 1
2086 1 43 GLN QB 1 44 PHE QD . . 4.770 3.750 3.337 4.770 0.000 10 0 "[ . 1 . 2]" 1
2087 1 43 GLN QB 1 45 ILE H . . 5.340 4.612 4.433 5.068 . 0 0 "[ . 1 . 2]" 1
2088 1 44 PHE QB 1 45 ILE H . . 3.860 3.412 3.313 3.537 . 0 0 "[ . 1 . 2]" 1
2089 1 44 PHE QB 1 96 PHE QD . . 4.580 3.458 2.977 3.929 . 0 0 "[ . 1 . 2]" 1
2090 1 44 PHE QB 1 96 PHE QE . . 4.390 3.120 2.214 3.722 . 0 0 "[ . 1 . 2]" 1
2091 1 48 TYR QE 1 75 ARG QD . . 4.270 3.757 3.036 4.275 0.005 15 0 "[ . 1 . 2]" 1
2092 1 49 ARG HB2 1 66 ASN QB . . 5.050 4.757 4.239 5.017 . 0 0 "[ . 1 . 2]" 1
2093 1 49 ARG HB3 1 66 ASN QB . . 5.050 4.601 4.102 5.047 . 0 0 "[ . 1 . 2]" 1
2094 1 49 ARG QG 1 51 MET QG . . 4.270 2.707 2.222 3.130 . 0 0 "[ . 1 . 2]" 1
2095 1 49 ARG QG 1 66 ASN QD . . 4.810 3.818 2.894 4.685 . 0 0 "[ . 1 . 2]" 1
2096 1 49 ARG QD 1 66 ASN QB . . 3.440 2.728 1.947 3.454 0.014 17 0 "[ . 1 . 2]" 1
2097 1 49 ARG HE 1 66 ASN QD . . 5.290 4.196 1.828 5.281 . 0 0 "[ . 1 . 2]" 1
2098 1 50 VAL H 1 67 LEU QB . . 4.720 3.341 3.019 3.678 . 0 0 "[ . 1 . 2]" 1
2099 1 50 VAL HB 1 67 LEU QB . . 3.390 2.110 1.989 2.295 . 0 0 "[ . 1 . 2]" 1
2100 1 50 VAL MG1 1 67 LEU QB . . 4.770 3.221 2.977 3.526 . 0 0 "[ . 1 . 2]" 1
2101 1 50 VAL MG2 1 67 LEU QB . . 4.340 3.437 3.050 3.653 . 0 0 "[ . 1 . 2]" 1
2102 1 51 MET H 1 51 MET QG . . 3.650 2.834 2.495 3.076 . 0 0 "[ . 1 . 2]" 1
2103 1 51 MET HA 1 51 MET QG . . 3.480 2.298 2.203 2.537 . 0 0 "[ . 1 . 2]" 1
2104 1 51 MET HA 1 66 ASN QB . . 4.420 3.681 2.934 4.319 . 0 0 "[ . 1 . 2]" 1
2105 1 51 MET HB2 1 91 LYS QD . . 3.940 2.812 1.901 3.942 0.002 7 0 "[ . 1 . 2]" 1
2106 1 51 MET HB2 1 91 LYS QE . . 4.840 2.574 1.963 4.030 . 0 0 "[ . 1 . 2]" 1
2107 1 51 MET QG 1 52 TYR H . . 4.160 3.721 3.292 4.138 . 0 0 "[ . 1 . 2]" 1
2108 1 51 MET QG 1 64 TRP HE3 . . 4.520 3.923 3.583 4.311 . 0 0 "[ . 1 . 2]" 1
2109 1 51 MET QG 1 64 TRP HZ3 . . 5.250 5.016 4.791 5.250 0.000 13 0 "[ . 1 . 2]" 1
2110 1 51 MET ME 1 66 ASN QD . . 4.430 3.760 2.807 4.429 . 0 0 "[ . 1 . 2]" 1
2111 1 51 MET ME 1 91 LYS QE . . 3.700 2.894 2.330 3.387 . 0 0 "[ . 1 . 2]" 1
2112 1 52 TYR HA 1 90 ILE QG . . 4.070 2.611 2.327 2.970 . 0 0 "[ . 1 . 2]" 1
2113 1 52 TYR HA 1 91 LYS QE . . 5.340 4.304 3.883 4.653 . 0 0 "[ . 1 . 2]" 1
2114 1 52 TYR HB2 1 90 ILE QG . . 3.670 2.140 1.939 2.480 . 0 0 "[ . 1 . 2]" 1
2115 1 52 TYR HB3 1 90 ILE QG . . 3.830 2.207 1.950 2.490 . 0 0 "[ . 1 . 2]" 1
2116 1 52 TYR QD 1 90 ILE QG . . 4.480 3.757 3.532 3.984 . 0 0 "[ . 1 . 2]" 1
2117 1 52 TYR QE 1 65 GLN QE . . 4.530 3.175 1.889 4.526 . 0 0 "[ . 1 . 2]" 1
2118 1 52 TYR QE 1 67 LEU QB . . 3.730 2.407 2.021 2.641 . 0 0 "[ . 1 . 2]" 1
2119 1 52 TYR QE 1 79 LEU QB . . 4.040 3.658 3.215 3.999 . 0 0 "[ . 1 . 2]" 1
2120 1 53 ARG H 1 53 ARG QG . . 3.570 2.893 2.766 2.961 . 0 0 "[ . 1 . 2]" 1
2121 1 53 ARG H 1 90 ILE QG . . 5.340 3.246 2.815 3.579 . 0 0 "[ . 1 . 2]" 1
2122 1 53 ARG QG 1 54 GLN H . . 4.300 3.310 3.060 3.553 . 0 0 "[ . 1 . 2]" 1
2123 1 53 ARG QG 1 55 THR MG . . 4.070 3.455 2.937 3.783 . 0 0 "[ . 1 . 2]" 1
2124 1 53 ARG QG 1 64 TRP HE3 . . 4.520 3.356 3.098 3.717 . 0 0 "[ . 1 . 2]" 1
2125 1 53 ARG QG 1 64 TRP HZ3 . . 5.340 3.157 2.951 3.540 . 0 0 "[ . 1 . 2]" 1
2126 1 53 ARG QG 1 64 TRP HZ2 . . 4.660 3.053 2.882 3.259 . 0 0 "[ . 1 . 2]" 1
2127 1 53 ARG QG 1 64 TRP HH2 . . 4.390 3.002 2.878 3.323 . 0 0 "[ . 1 . 2]" 1
2128 1 53 ARG QG 1 89 GLU QB . . 3.700 3.123 2.785 3.339 . 0 0 "[ . 1 . 2]" 1
2129 1 54 GLN H 1 86 VAL QG . . 5.440 5.310 5.146 5.443 0.003 9 0 "[ . 1 . 2]" 1
2130 1 54 GLN HA 1 86 VAL QG . . 4.000 3.514 3.300 3.741 . 0 0 "[ . 1 . 2]" 1
2131 1 54 GLN HA 1 88 TYR QB . . 4.830 4.259 3.960 4.435 . 0 0 "[ . 1 . 2]" 1
2132 1 54 GLN QB 1 62 SER QB . . 4.770 4.661 4.229 4.787 0.017 15 0 "[ . 1 . 2]" 1
2133 1 54 GLN QB 1 86 VAL QG . . 4.180 3.527 3.347 3.740 . 0 0 "[ . 1 . 2]" 1
2134 1 54 GLN QE 1 54 GLN HG3 . . 3.350 2.930 2.100 3.350 0.000 1 0 "[ . 1 . 2]" 1
2135 1 54 GLN HG3 1 86 VAL QG . . 3.080 2.090 1.850 2.372 . 0 0 "[ . 1 . 2]" 1
2136 1 54 GLN QE 1 57 GLY QA . . 3.890 2.481 1.993 3.271 . 0 0 "[ . 1 . 2]" 1
2137 1 54 GLN QE 1 59 GLN H . . 4.030 2.894 1.711 3.753 . 0 0 "[ . 1 . 2]" 1
2138 1 54 GLN QE 1 59 GLN QB . . 3.910 2.979 2.194 3.914 0.004 13 0 "[ . 1 . 2]" 1
2139 1 54 GLN QE 1 60 ALA HA . . 5.040 4.263 2.985 5.040 0.000 9 0 "[ . 1 . 2]" 1
2140 1 54 GLN QE 1 60 ALA MB . . 4.640 3.530 2.704 4.609 . 0 0 "[ . 1 . 2]" 1
2141 1 54 GLN QE 1 86 VAL HB . . 5.100 4.068 2.861 5.061 . 0 0 "[ . 1 . 2]" 1
2142 1 54 GLN QE 1 86 VAL QG . . 3.200 2.483 1.827 3.210 0.010 15 0 "[ . 1 . 2]" 1
2143 1 55 THR H 1 86 VAL QG . . 4.240 2.995 2.653 3.335 . 0 0 "[ . 1 . 2]" 1
2144 1 56 SER H 1 56 SER QB . . 3.560 2.540 2.373 2.733 . 0 0 "[ . 1 . 2]" 1
2145 1 56 SER H 1 86 VAL QG . . 4.230 2.520 2.042 2.837 . 0 0 "[ . 1 . 2]" 1
2146 1 56 SER QB 1 57 GLY H . . 3.450 3.031 2.273 3.453 0.003 11 0 "[ . 1 . 2]" 1
2147 1 56 SER QB 1 87 THR H . . 4.560 3.511 2.552 4.001 . 0 0 "[ . 1 . 2]" 1
2148 1 57 GLY QA 1 58 LEU H . . 2.960 2.194 2.110 2.284 . 0 0 "[ . 1 . 2]" 1
2149 1 57 GLY QA 1 58 LEU HA . . 4.770 3.938 3.930 3.962 . 0 0 "[ . 1 . 2]" 1
2150 1 57 GLY QA 1 58 LEU HB2 . . 5.060 4.062 3.966 4.158 . 0 0 "[ . 1 . 2]" 1
2151 1 57 GLY QA 1 58 LEU HB3 . . 5.340 4.643 4.519 4.720 . 0 0 "[ . 1 . 2]" 1
2152 1 57 GLY QA 1 86 VAL QG . . 3.980 3.328 1.921 3.958 . 0 0 "[ . 1 . 2]" 1
2153 1 58 LEU HB2 1 59 GLN QG . . 5.050 4.729 4.309 5.040 . 0 0 "[ . 1 . 2]" 1
2154 1 58 LEU HB3 1 59 GLN QG . . 4.140 3.150 2.777 3.470 . 0 0 "[ . 1 . 2]" 1
2155 1 58 LEU HB3 1 59 GLN QE . . 4.620 3.729 2.775 4.622 0.002 15 0 "[ . 1 . 2]" 1
2156 1 58 LEU MD1 1 62 SER QB . . 4.300 4.111 3.453 4.337 0.037 15 0 "[ . 1 . 2]" 1
2157 1 59 GLN H 1 59 GLN QB . . 3.390 2.357 2.219 2.562 . 0 0 "[ . 1 . 2]" 1
2158 1 59 GLN HA 1 59 GLN QG . . 3.350 2.569 2.303 2.963 . 0 0 "[ . 1 . 2]" 1
2159 1 59 GLN QB 1 62 SER QB . . 4.290 3.413 2.938 3.930 . 0 0 "[ . 1 . 2]" 1
2160 1 61 THR MG 1 62 SER QB . . 4.060 4.008 3.857 4.067 0.007 9 0 "[ . 1 . 2]" 1
2161 1 62 SER H 1 62 SER QB . . 3.380 2.373 2.288 2.672 . 0 0 "[ . 1 . 2]" 1
2162 1 62 SER QB 1 63 SER H . . 3.300 2.409 2.011 3.072 . 0 0 "[ . 1 . 2]" 1
2163 1 63 SER H 1 63 SER QB . . 3.330 2.871 2.410 3.241 . 0 0 "[ . 1 . 2]" 1
2164 1 63 SER QB 1 64 TRP H . . 3.460 3.340 3.083 3.469 0.009 17 0 "[ . 1 . 2]" 1
2165 1 64 TRP HE3 1 91 LYS QE . . 4.770 3.554 3.182 3.848 . 0 0 "[ . 1 . 2]" 1
2166 1 64 TRP HZ3 1 91 LYS QE . . 4.200 2.536 2.261 2.731 . 0 0 "[ . 1 . 2]" 1
2167 1 64 TRP HZ2 1 91 LYS QE . . 4.200 3.752 3.468 4.073 . 0 0 "[ . 1 . 2]" 1
2168 1 64 TRP HH2 1 91 LYS QD . . 4.400 3.518 2.902 4.403 0.003 20 0 "[ . 1 . 2]" 1
2169 1 64 TRP HH2 1 91 LYS QE . . 4.120 2.639 2.328 3.079 . 0 0 "[ . 1 . 2]" 1
2170 1 64 TRP HH2 1 106 SER QB . . 4.520 4.236 3.740 4.530 0.010 18 0 "[ . 1 . 2]" 1
2171 1 65 GLN HA 1 66 ASN QB . . 5.330 4.481 4.379 4.597 . 0 0 "[ . 1 . 2]" 1
2172 1 65 GLN HB3 1 65 GLN QE . . 4.410 3.249 2.156 4.167 . 0 0 "[ . 1 . 2]" 1
2173 1 65 GLN HB3 1 66 ASN QB . . 5.340 4.985 4.853 5.177 . 0 0 "[ . 1 . 2]" 1
2174 1 66 ASN H 1 66 ASN QD . . 4.530 3.881 2.447 4.461 . 0 0 "[ . 1 . 2]" 1
2175 1 66 ASN HA 1 67 LEU QB . . 4.420 4.024 3.988 4.064 . 0 0 "[ . 1 . 2]" 1
2176 1 67 LEU H 1 67 LEU QB . . 3.440 2.421 2.324 2.494 . 0 0 "[ . 1 . 2]" 1
2177 1 67 LEU HA 1 68 ASP QB . . 5.100 4.615 4.181 4.747 . 0 0 "[ . 1 . 2]" 1
2178 1 67 LEU QB 1 79 LEU MD2 . . 3.390 2.558 2.251 2.784 . 0 0 "[ . 1 . 2]" 1
2179 1 68 ASP H 1 68 ASP QB . . 3.280 2.660 2.245 2.797 . 0 0 "[ . 1 . 2]" 1
2180 1 68 ASP QB 1 69 ALA H . . 4.160 3.462 3.218 3.900 . 0 0 "[ . 1 . 2]" 1
2181 1 68 ASP QB 1 70 LYS QD . . 4.420 3.899 1.886 4.351 . 0 0 "[ . 1 . 2]" 1
2182 1 68 ASP QB 1 70 LYS QE . . 4.560 3.430 2.373 4.549 . 0 0 "[ . 1 . 2]" 1
2183 1 69 ALA MB 1 71 VAL QG . . 4.130 2.842 1.983 3.526 . 0 0 "[ . 1 . 2]" 1
2184 1 69 ALA MB 1 74 GLU QB . . 3.410 3.060 2.762 3.370 . 0 0 "[ . 1 . 2]" 1
2185 1 70 LYS H 1 70 LYS QB . . 3.530 3.271 3.174 3.436 . 0 0 "[ . 1 . 2]" 1
2186 1 70 LYS H 1 71 VAL QG . . 4.530 4.094 3.787 4.464 . 0 0 "[ . 1 . 2]" 1
2187 1 70 LYS HA 1 71 VAL QG . . 4.850 4.073 3.781 4.315 . 0 0 "[ . 1 . 2]" 1
2188 1 70 LYS QB 1 71 VAL H . . 4.010 3.795 3.722 3.858 . 0 0 "[ . 1 . 2]" 1
2189 1 70 LYS QB 1 71 VAL QG . . 4.050 3.125 2.738 3.610 . 0 0 "[ . 1 . 2]" 1
2190 1 71 VAL H 1 71 VAL QG . . 3.360 2.709 2.263 3.065 . 0 0 "[ . 1 . 2]" 1
2191 1 71 VAL QG 1 72 PRO HA . . 5.440 4.111 3.874 4.543 . 0 0 "[ . 1 . 2]" 1
2192 1 71 VAL QG 1 72 PRO QG . . 3.980 3.630 3.483 3.777 . 0 0 "[ . 1 . 2]" 1
2193 1 71 VAL QG 1 72 PRO QD . . 3.070 2.537 2.331 2.776 . 0 0 "[ . 1 . 2]" 1
2194 1 71 VAL QG 1 73 THR H . . 3.310 1.967 1.838 2.388 . 0 0 "[ . 1 . 2]" 1
2195 1 71 VAL QG 1 74 GLU H . . 3.540 2.345 1.786 3.021 . 0 0 "[ . 1 . 2]" 1
2196 1 71 VAL QG 1 74 GLU HA . . 4.200 3.591 3.234 4.159 . 0 0 "[ . 1 . 2]" 1
2197 1 71 VAL QG 1 74 GLU QB . . 3.980 2.136 1.727 2.832 . 0 0 "[ . 1 . 2]" 1
2198 1 74 GLU H 1 74 GLU QB . . 3.060 2.351 2.136 2.634 . 0 0 "[ . 1 . 2]" 1
2199 1 74 GLU HA 1 75 ARG QG . . 5.340 4.246 3.466 5.240 . 0 0 "[ . 1 . 2]" 1
2200 1 74 GLU QB 1 75 ARG H . . 3.930 3.373 2.791 3.716 . 0 0 "[ . 1 . 2]" 1
2201 1 74 GLU QB 1 76 SER H . . 3.640 2.764 2.647 2.884 . 0 0 "[ . 1 . 2]" 1
2202 1 75 ARG H 1 75 ARG QG . . 4.250 3.038 1.983 3.940 . 0 0 "[ . 1 . 2]" 1
2203 1 75 ARG QB 1 76 SER H . . 3.940 3.764 3.688 3.827 . 0 0 "[ . 1 . 2]" 1
2204 1 75 ARG QG 1 76 SER H . . 4.770 4.520 3.106 4.795 0.025 12 0 "[ . 1 . 2]" 1
2205 1 77 ALA H 1 78 VAL QG . . 4.690 4.222 3.881 4.582 . 0 0 "[ . 1 . 2]" 1
2206 1 78 VAL H 1 78 VAL QG . . 3.180 2.738 2.440 2.968 . 0 0 "[ . 1 . 2]" 1
2207 1 78 VAL QG 1 79 LEU H . . 3.400 2.731 2.133 3.114 . 0 0 "[ . 1 . 2]" 1
2208 1 78 VAL QG 1 80 VAL H . . 4.780 3.958 3.629 4.502 . 0 0 "[ . 1 . 2]" 1
2209 1 78 VAL QG 1 80 VAL HA . . 4.340 3.940 3.821 4.229 . 0 0 "[ . 1 . 2]" 1
2210 1 79 LEU QB 1 79 LEU MD1 . . 2.830 2.022 1.949 2.085 . 0 0 "[ . 1 . 2]" 1
2211 1 79 LEU QB 1 79 LEU MD2 . . 2.970 2.215 2.069 2.319 . 0 0 "[ . 1 . 2]" 1
2212 1 79 LEU QB 1 80 VAL H . . 3.940 3.392 2.770 3.561 . 0 0 "[ . 1 . 2]" 1
2213 1 79 LEU QB 1 82 LEU HG . . 4.650 3.364 3.072 3.590 . 0 0 "[ . 1 . 2]" 1
2214 1 79 LEU QB 1 82 LEU MD1 . . 3.170 2.114 1.937 2.407 . 0 0 "[ . 1 . 2]" 1
2215 1 79 LEU QB 1 82 LEU MD2 . . 3.130 2.422 2.078 2.810 . 0 0 "[ . 1 . 2]" 1
2216 1 79 LEU MD1 1 90 ILE QG . . 4.160 2.115 1.824 2.521 . 0 0 "[ . 1 . 2]" 1
2217 1 80 VAL HB 1 81 ASN QD . . 5.120 3.590 2.271 4.592 . 0 0 "[ . 1 . 2]" 1
2218 1 80 VAL MG2 1 81 ASN QB . . 3.570 2.990 2.578 3.369 . 0 0 "[ . 1 . 2]" 1
2219 1 80 VAL MG2 1 81 ASN QD . . 3.240 2.366 1.838 2.892 . 0 0 "[ . 1 . 2]" 1
2220 1 81 ASN H 1 81 ASN QD . . 5.200 3.606 2.007 4.574 . 0 0 "[ . 1 . 2]" 1
2221 1 81 ASN QB 1 81 ASN QD . . 3.020 2.245 2.068 2.717 . 0 0 "[ . 1 . 2]" 1
2222 1 82 LEU MD2 1 88 TYR QB . . 5.340 3.857 3.663 4.133 . 0 0 "[ . 1 . 2]" 1
2223 1 83 LYS H 1 83 LYS QG . . 4.360 3.480 2.581 4.064 . 0 0 "[ . 1 . 2]" 1
2224 1 83 LYS H 1 86 VAL QG . . 4.460 3.551 3.304 3.813 . 0 0 "[ . 1 . 2]" 1
2225 1 83 LYS HA 1 83 LYS QG . . 3.560 2.393 2.156 2.851 . 0 0 "[ . 1 . 2]" 1
2226 1 83 LYS HA 1 86 VAL QG . . 4.850 4.069 3.811 4.475 . 0 0 "[ . 1 . 2]" 1
2227 1 83 LYS QB 1 86 VAL QG . . 3.050 1.898 1.768 2.228 . 0 0 "[ . 1 . 2]" 1
2228 1 83 LYS QG 1 84 LYS H . . 4.560 3.014 2.041 4.154 . 0 0 "[ . 1 . 2]" 1
2229 1 83 LYS QG 1 86 VAL QG . . 3.800 3.043 1.966 3.795 . 0 0 "[ . 1 . 2]" 1
2230 1 83 LYS QD 1 86 VAL QG . . 3.860 3.066 1.865 3.872 0.012 13 0 "[ . 1 . 2]" 1
2231 1 83 LYS QE 1 86 VAL QG . . 4.570 3.669 2.827 4.407 . 0 0 "[ . 1 . 2]" 1
2232 1 84 LYS H 1 84 LYS QB . . 3.250 2.660 2.472 2.928 . 0 0 "[ . 1 . 2]" 1
2233 1 84 LYS H 1 86 VAL QG . . 5.180 3.858 3.566 4.285 . 0 0 "[ . 1 . 2]" 1
2234 1 84 LYS HA 1 86 VAL QG . . 4.080 3.832 3.672 4.048 . 0 0 "[ . 1 . 2]" 1
2235 1 84 LYS QB 1 84 LYS QE . . 3.750 2.915 2.100 3.664 . 0 0 "[ . 1 . 2]" 1
2236 1 84 LYS QB 1 85 GLY H . . 3.880 3.099 2.839 3.254 . 0 0 "[ . 1 . 2]" 1
2237 1 85 GLY H 1 86 VAL QG . . 4.690 3.736 3.478 3.943 . 0 0 "[ . 1 . 2]" 1
2238 1 85 GLY HA3 1 86 VAL QG . . 4.850 4.325 4.108 4.502 . 0 0 "[ . 1 . 2]" 1
2239 1 85 GLY HA3 1 113 GLU QB . . 4.850 3.383 2.183 4.338 . 0 0 "[ . 1 . 2]" 1
2240 1 86 VAL H 1 86 VAL QG . . 3.150 2.545 2.378 2.750 . 0 0 "[ . 1 . 2]" 1
2241 1 86 VAL QG 1 87 THR H . . 3.350 2.044 1.854 2.296 . 0 0 "[ . 1 . 2]" 1
2242 1 86 VAL QG 1 87 THR HB . . 4.130 3.727 3.582 3.837 . 0 0 "[ . 1 . 2]" 1
2243 1 86 VAL QG 1 88 TYR H . . 5.370 4.368 4.167 4.562 . 0 0 "[ . 1 . 2]" 1
2244 1 86 VAL QG 1 88 TYR HA . . 5.330 4.069 3.940 4.200 . 0 0 "[ . 1 . 2]" 1
2245 1 86 VAL QG 1 88 TYR QD . . 4.090 2.670 2.339 2.919 . 0 0 "[ . 1 . 2]" 1
2246 1 86 VAL QG 1 88 TYR QE . . 3.190 1.890 1.789 2.067 . 0 0 "[ . 1 . 2]" 1
2247 1 86 VAL QG 1 111 THR H . . 4.800 3.771 3.397 3.952 . 0 0 "[ . 1 . 2]" 1
2248 1 86 VAL QG 1 111 THR HG1 . . 4.330 2.473 2.051 2.953 . 0 0 "[ . 1 . 2]" 1
2249 1 87 THR MG 1 110 ARG QD . . 4.830 4.340 3.862 4.836 0.006 11 0 "[ . 1 . 2]" 1
2250 1 88 TYR H 1 88 TYR QB . . 3.460 2.532 2.417 2.712 . 0 0 "[ . 1 . 2]" 1
2251 1 88 TYR QB 1 89 GLU H . . 3.730 3.301 3.123 3.555 . 0 0 "[ . 1 . 2]" 1
2252 1 88 TYR QB 1 89 GLU HA . . 5.090 4.356 4.284 4.515 . 0 0 "[ . 1 . 2]" 1
2253 1 88 TYR QB 1 90 ILE MD . . 3.720 2.331 1.925 2.856 . 0 0 "[ . 1 . 2]" 1
2254 1 88 TYR QB 1 109 VAL H . . 4.620 3.413 3.250 3.503 . 0 0 "[ . 1 . 2]" 1
2255 1 88 TYR QB 1 109 VAL MG1 . . 3.310 1.885 1.804 2.016 . 0 0 "[ . 1 . 2]" 1
2256 1 89 GLU HA 1 90 ILE QG . . 4.560 4.004 3.360 4.398 . 0 0 "[ . 1 . 2]" 1
2257 1 89 GLU QB 1 106 SER QB . . 4.560 4.046 3.863 4.255 . 0 0 "[ . 1 . 2]" 1
2258 1 90 ILE H 1 90 ILE QG . . 3.930 3.162 2.622 3.415 . 0 0 "[ . 1 . 2]" 1
2259 1 90 ILE H 1 106 SER QB . . 4.460 4.004 3.589 4.350 . 0 0 "[ . 1 . 2]" 1
2260 1 90 ILE HA 1 90 ILE QG . . 3.560 2.456 2.335 2.603 . 0 0 "[ . 1 . 2]" 1
2261 1 90 ILE MG 1 91 LYS QD . . 4.000 3.602 3.380 3.838 . 0 0 "[ . 1 . 2]" 1
2262 1 90 ILE MG 1 91 LYS QE . . 4.720 4.589 4.229 4.732 0.012 18 0 "[ . 1 . 2]" 1
2263 1 90 ILE QG 1 91 LYS H . . 4.340 4.135 4.032 4.203 . 0 0 "[ . 1 . 2]" 1
2264 1 91 LYS H 1 91 LYS QE . . 4.290 3.553 3.113 3.782 . 0 0 "[ . 1 . 2]" 1
2265 1 91 LYS HB3 1 106 SER QB . . 3.940 2.780 2.187 3.378 . 0 0 "[ . 1 . 2]" 1
2266 1 91 LYS QG 1 103 ASP QB . . 4.620 2.711 2.184 4.377 . 0 0 "[ . 1 . 2]" 1
2267 1 91 LYS QD 1 103 ASP QB . . 4.290 4.151 3.214 4.302 0.012 17 0 "[ . 1 . 2]" 1
2268 1 91 LYS QE 1 103 ASP QB . . 5.180 4.585 3.820 5.192 0.012 18 0 "[ . 1 . 2]" 1
2269 1 92 VAL H 1 93 ARG QB . . 5.340 5.112 4.655 5.385 0.045 18 0 "[ . 1 . 2]" 1
2270 1 92 VAL H 1 103 ASP QB . . 5.340 4.922 4.261 5.337 . 0 0 "[ . 1 . 2]" 1
2271 1 92 VAL H 1 104 SER QB . . 4.220 2.992 2.171 3.821 . 0 0 "[ . 1 . 2]" 1
2272 1 92 VAL HB 1 104 SER QB . . 4.390 3.127 2.613 3.702 . 0 0 "[ . 1 . 2]" 1
2273 1 92 VAL MG1 1 104 SER QB . . 5.090 4.101 3.537 4.599 . 0 0 "[ . 1 . 2]" 1
2274 1 93 ARG H 1 93 ARG QB . . 3.680 3.102 2.692 3.277 . 0 0 "[ . 1 . 2]" 1
2275 1 93 ARG H 1 93 ARG QG . . 3.600 2.539 2.130 3.417 . 0 0 "[ . 1 . 2]" 1
2276 1 93 ARG QB 1 94 PRO HD2 . . 3.770 2.890 2.240 3.269 . 0 0 "[ . 1 . 2]" 1
2277 1 93 ARG QB 1 94 PRO HD3 . . 4.690 3.954 3.516 4.192 . 0 0 "[ . 1 . 2]" 1
2278 1 93 ARG QB 1 101 GLY HA3 . . 5.220 4.353 3.652 4.891 . 0 0 "[ . 1 . 2]" 1
2279 1 93 ARG QB 1 103 ASP HA . . 3.930 2.509 1.927 4.012 0.082 18 0 "[ . 1 . 2]" 1
2280 1 93 ARG QB 1 104 SER H . . 4.720 3.826 2.981 4.741 0.021 18 0 "[ . 1 . 2]" 1
2281 1 93 ARG HE 1 93 ARG QG . . 3.640 2.462 2.202 3.229 . 0 0 "[ . 1 . 2]" 1
2282 1 93 ARG QG 1 94 PRO HD3 . . 5.340 4.849 4.193 5.048 . 0 0 "[ . 1 . 2]" 1
2283 1 93 ARG QD 1 100 GLN QB . . 3.440 2.351 1.949 3.478 0.038 2 0 "[ . 1 . 2]" 1
2284 1 93 ARG QD 1 100 GLN QG . . 4.070 2.946 1.874 4.089 0.019 6 0 "[ . 1 . 2]" 1
2285 1 96 PHE QE 1 97 ASN QB . . 4.550 3.987 2.787 4.556 0.006 6 0 "[ . 1 . 2]" 1
2286 1 96 PHE QE 1 97 ASN QD . . 4.080 3.277 2.257 3.884 . 0 0 "[ . 1 . 2]" 1
2287 1 97 ASN QB 1 98 GLU HB2 . . 5.090 4.681 3.815 4.875 . 0 0 "[ . 1 . 2]" 1
2288 1 97 ASN QB 1 98 GLU QG . . 4.760 3.326 2.576 4.863 0.103 5 0 "[ . 1 . 2]" 1
2289 1 97 ASN QB 1 99 PHE H . . 4.040 3.703 3.478 3.917 . 0 0 "[ . 1 . 2]" 1
2290 1 97 ASN QB 1 99 PHE QD . . 4.700 3.972 3.681 4.229 . 0 0 "[ . 1 . 2]" 1
2291 1 97 ASN QB 1 99 PHE QE . . 5.060 2.979 2.611 3.399 . 0 0 "[ . 1 . 2]" 1
2292 1 98 GLU H 1 98 GLU QG . . 3.970 2.454 1.941 3.801 . 0 0 "[ . 1 . 2]" 1
2293 1 98 GLU QG 1 99 PHE H . . 4.720 2.222 1.863 3.214 . 0 0 "[ . 1 . 2]" 1
2294 1 98 GLU QG 1 99 PHE QD . . 3.960 2.495 2.143 3.646 . 0 0 "[ . 1 . 2]" 1
2295 1 100 GLN H 1 100 GLN QB . . 3.360 3.029 2.596 3.179 . 0 0 "[ . 1 . 2]" 1
2296 1 100 GLN H 1 100 GLN QG . . 3.470 2.477 1.930 3.259 . 0 0 "[ . 1 . 2]" 1
2297 1 100 GLN H 1 100 GLN QE . . 4.760 3.563 1.861 4.665 . 0 0 "[ . 1 . 2]" 1
2298 1 100 GLN QB 1 101 GLY H . . 3.760 3.129 2.585 3.530 . 0 0 "[ . 1 . 2]" 1
2299 1 102 MET HA 1 102 MET QG . . 3.560 2.551 2.133 3.405 . 0 0 "[ . 1 . 2]" 1
2300 1 102 MET HA 1 103 ASP QB . . 4.830 4.458 4.165 4.626 . 0 0 "[ . 1 . 2]" 1
2301 1 102 MET QB 1 103 ASP H . . 3.830 3.129 2.452 3.768 . 0 0 "[ . 1 . 2]" 1
2302 1 102 MET QG 1 103 ASP H . . 4.480 3.830 2.895 4.350 . 0 0 "[ . 1 . 2]" 1
2303 1 103 ASP H 1 103 ASP QB . . 3.380 2.705 2.280 3.038 . 0 0 "[ . 1 . 2]" 1
2304 1 103 ASP QB 1 104 SER H . . 3.680 3.122 2.800 3.465 . 0 0 "[ . 1 . 2]" 1
2305 1 104 SER H 1 104 SER QB . . 3.250 2.426 2.158 2.770 . 0 0 "[ . 1 . 2]" 1
2306 1 104 SER QB 1 105 GLU H . . 3.140 2.582 2.088 3.140 0.000 6 0 "[ . 1 . 2]" 1
2307 1 104 SER QB 1 105 GLU QB . . 4.770 4.244 3.693 4.791 0.021 17 0 "[ . 1 . 2]" 1
2308 1 105 GLU HA 1 106 SER QB . . 4.660 4.461 4.304 4.576 . 0 0 "[ . 1 . 2]" 1
2309 1 106 SER QB 1 107 LYS H . . 3.610 3.363 2.909 3.578 . 0 0 "[ . 1 . 2]" 1
2310 1 107 LYS H 1 107 LYS QB . . 3.390 2.437 2.331 2.657 . 0 0 "[ . 1 . 2]" 1
2311 1 107 LYS HA 1 107 LYS QD . . 3.370 2.264 2.006 2.569 . 0 0 "[ . 1 . 2]" 1
2312 1 107 LYS QB 1 108 THR H . . 3.370 2.966 2.408 3.210 . 0 0 "[ . 1 . 2]" 1
2313 1 107 LYS QB 1 108 THR HA . . 5.050 4.307 4.087 4.439 . 0 0 "[ . 1 . 2]" 1
2314 1 107 LYS QD 1 108 THR H . . 4.400 3.493 3.140 3.845 . 0 0 "[ . 1 . 2]" 1
2315 1 110 ARG HA 1 110 ARG QD . . 4.710 4.020 3.871 4.111 . 0 0 "[ . 1 . 2]" 1
2316 1 110 ARG HB2 1 110 ARG QD . . 3.590 2.549 2.284 2.899 . 0 0 "[ . 1 . 2]" 1
2317 1 110 ARG HB3 1 110 ARG QD . . 3.640 2.428 2.137 2.861 . 0 0 "[ . 1 . 2]" 1
2318 1 113 GLU H 1 113 GLU QB . . 3.190 2.571 2.137 3.044 . 0 0 "[ . 1 . 2]" 1
2319 1 113 GLU QB 1 114 GLU H . . 3.600 2.797 2.316 3.589 . 0 0 "[ . 1 . 2]" 1
2320 1 114 GLU QB 1 115 SER H . . 3.870 3.511 2.304 3.900 0.030 4 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 2
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LEU 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 78 VAL HA 1 79 LEU HG . . 4.000 3.751 3.563 3.986 . 0 0 "[ . 1 . 2]" 2
2 1 26 VAL HA 1 26 VAL HB . . 3.000 2.370 2.326 2.469 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 18
_Distance_constraint_stats_list.Viol_count 356
_Distance_constraint_stats_list.Viol_total 3443.596
_Distance_constraint_stats_list.Viol_max 0.810
_Distance_constraint_stats_list.Viol_rms 0.2040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4783
_Distance_constraint_stats_list.Viol_average_violations_only 0.4837
_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 9 GLN 33.053 0.809 14 17 "[***-* * *****+**** *]"
1 10 VAL 22.030 0.810 14 16 "[* **.**-*****+* * **]"
1 12 LYS 23.122 0.809 14 17 "[***-* * *****+**** *]"
1 13 GLU 9.932 0.641 20 1 "[ . 1 . +]"
1 14 LEU 22.030 0.810 14 16 "[* **.**-*****+* * **]"
1 25 VAL 23.302 0.801 12 16 "[ ***-* ****+ *** ***]"
1 33 GLN 23.302 0.801 12 16 "[ ***-* ****+ *** ***]"
1 34 VAL 14.016 0.800 18 7 "[ * *. - 1 * . *+*2]"
1 50 VAL 19.686 0.792 16 13 "[* -** ***1 * **+ * *]"
1 54 GLN 23.141 0.801 1 16 "[+* ***-******* ***2]"
1 61 THR 23.141 0.801 1 16 "[+* ***-******* ***2]"
1 67 LEU 19.686 0.792 16 13 "[* -** ***1 * **+ * *]"
1 77 ALA 14.016 0.800 18 7 "[ * *. - 1 * . *+*2]"
1 90 ILE 36.952 0.794 18 13 "[ **.-***1** ** +**]"
1 107 LYS 36.952 0.794 18 13 "[ **.-***1** ** +**]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 VAL O 1 33 GLN H . . 1.600 2.239 1.830 2.401 0.801 12 16 "[ ***-* ****+ *** ***]" 3
2 1 25 VAL O 1 33 GLN N . . 2.600 3.126 2.724 3.303 0.703 9 12 "[ ***.* *+*-* . ***]" 3
3 1 50 VAL O 1 67 LEU H . . 1.600 2.166 1.885 2.392 0.792 16 13 "[* -** ***1 * **+ * *]" 3
4 1 50 VAL O 1 67 LEU N . . 2.600 3.018 2.779 3.232 0.632 4 9 "[* +* ** 1 * -** 2]" 3
5 1 90 ILE H 1 107 LYS O . . 1.600 2.087 1.852 2.295 0.695 7 9 "[ **.*+ 1* ** * -]" 3
6 1 90 ILE N 1 107 LYS O . . 2.600 3.043 2.820 3.266 0.666 18 4 "[ . * 1* - + 2]" 3
7 1 34 VAL H 1 77 ALA O . . 1.600 2.011 1.793 2.400 0.800 18 7 "[ * *. - 1 * . *+*2]" 3
8 1 34 VAL N 1 77 ALA O . . 2.600 2.890 2.607 3.221 0.621 13 4 "[ *. 1 + . -* 2]" 3
9 1 90 ILE O 1 107 LYS H . . 1.600 2.114 1.821 2.394 0.794 18 12 "[ **.-***1** * +**]" 3
10 1 90 ILE O 1 107 LYS N . . 2.600 3.004 2.767 3.245 0.645 18 7 "[ - . * *1** * + 2]" 3
11 1 10 VAL O 1 14 LEU H . . 1.600 2.235 1.932 2.410 0.810 14 16 "[* *-.********+* * **]" 3
12 1 10 VAL O 1 14 LEU N . . 2.600 3.066 2.791 3.229 0.629 12 11 "[ * .**- **+**. * *2]" 3
13 1 54 GLN O 1 61 THR H . . 1.600 2.234 1.807 2.401 0.801 1 16 "[+* ***-******* ***2]" 3
14 1 54 GLN O 1 61 THR N . . 2.600 3.123 2.738 3.293 0.693 1 12 "[+* .*- ** * ** ***2]" 3
15 1 9 GLN O 1 13 GLU H . . 1.600 1.913 1.784 2.241 0.641 20 1 "[ . 1 . +]" 3
16 1 9 GLN O 1 13 GLU N . . 2.600 2.783 2.597 2.973 0.373 9 0 "[ . 1 . 2]" 3
17 1 9 GLN O 1 12 LYS H . . 1.600 2.274 1.798 2.409 0.809 14 17 "[***** * **-**+**** *]" 3
18 1 9 GLN O 1 12 LYS N . . 2.600 3.082 2.597 3.280 0.680 14 15 "[***-* * ** * +**** *]" 3
stop_
save_
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