NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
444770 |
2kie   |
16271 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kie
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 1598
_Distance_constraint_stats_list.Viol_count 2427
_Distance_constraint_stats_list.Viol_total 3283.633
_Distance_constraint_stats_list.Viol_max 0.448
_Distance_constraint_stats_list.Viol_rms 0.0246
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0676
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 0.021 0.021 11 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 0.639 0.174 7 0 "[ . 1 . 2]"
1 6 MET 0.904 0.174 7 0 "[ . 1 . 2]"
1 7 GLU 1.248 0.107 3 0 "[ . 1 . 2]"
1 8 PRO 1.053 0.223 15 0 "[ . 1 . 2]"
1 9 PRO 2.910 0.238 15 0 "[ . 1 . 2]"
1 10 LEU 3.373 0.238 15 0 "[ . 1 . 2]"
1 11 PRO 2.388 0.164 3 0 "[ . 1 . 2]"
1 12 VAL 3.472 0.164 3 0 "[ . 1 . 2]"
1 13 GLY 0.099 0.063 11 0 "[ . 1 . 2]"
1 14 ALA 1.978 0.149 11 0 "[ . 1 . 2]"
1 15 GLN 7.686 0.250 11 0 "[ . 1 . 2]"
1 16 PRO 3.845 0.250 11 0 "[ . 1 . 2]"
1 17 LEU 2.156 0.140 8 0 "[ . 1 . 2]"
1 18 ALA 5.908 0.155 18 0 "[ . 1 . 2]"
1 19 THR 1.110 0.107 14 0 "[ . 1 . 2]"
1 20 VAL 5.240 0.245 19 0 "[ . 1 . 2]"
1 21 GLU 0.127 0.027 13 0 "[ . 1 . 2]"
1 22 GLY 0.809 0.069 14 0 "[ . 1 . 2]"
1 23 MET 2.865 0.144 2 0 "[ . 1 . 2]"
1 24 GLU 1.341 0.102 1 0 "[ . 1 . 2]"
1 25 MET 4.777 0.226 18 0 "[ . 1 . 2]"
1 26 LYS 0.937 0.061 6 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PRO 0.098 0.030 18 0 "[ . 1 . 2]"
1 29 LEU 0.450 0.044 8 0 "[ . 1 . 2]"
1 30 ARG 6.374 0.275 1 0 "[ . 1 . 2]"
1 31 GLU 3.748 0.275 1 0 "[ . 1 . 2]"
1 32 PRO 0.357 0.056 11 0 "[ . 1 . 2]"
1 33 CYS 1.658 0.142 3 0 "[ . 1 . 2]"
1 34 ALA 1.383 0.090 7 0 "[ . 1 . 2]"
1 35 LEU 3.745 0.172 15 0 "[ . 1 . 2]"
1 36 THR 0.455 0.115 16 0 "[ . 1 . 2]"
1 37 LEU 4.125 0.155 18 0 "[ . 1 . 2]"
1 38 ALA 0.828 0.138 11 0 "[ . 1 . 2]"
1 39 GLN 3.583 0.133 8 0 "[ . 1 . 2]"
1 40 ARG 5.253 0.151 16 0 "[ . 1 . 2]"
1 41 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 2.178 0.140 11 0 "[ . 1 . 2]"
1 43 GLN 4.504 0.151 16 0 "[ . 1 . 2]"
1 44 TYR 1.791 0.100 18 0 "[ . 1 . 2]"
1 45 GLU 0.620 0.063 6 0 "[ . 1 . 2]"
1 46 LEU 1.230 0.308 6 0 "[ . 1 . 2]"
1 47 ILE 0.914 0.308 6 0 "[ . 1 . 2]"
1 48 ILE 1.596 0.134 10 0 "[ . 1 . 2]"
1 49 GLN 3.767 0.142 3 0 "[ . 1 . 2]"
1 50 LEU 2.285 0.239 8 0 "[ . 1 . 2]"
1 51 HIS 0.357 0.056 11 0 "[ . 1 . 2]"
1 52 GLU 1.370 0.143 4 0 "[ . 1 . 2]"
1 53 LYS 0.934 0.076 7 0 "[ . 1 . 2]"
1 54 GLU 3.773 0.183 19 0 "[ . 1 . 2]"
1 55 GLN 2.725 0.183 19 0 "[ . 1 . 2]"
1 56 HIS 0.225 0.065 8 0 "[ . 1 . 2]"
1 57 VAL 3.096 0.175 11 0 "[ . 1 . 2]"
1 58 GLN 3.477 0.175 11 0 "[ . 1 . 2]"
1 59 ASP 1.930 0.111 6 0 "[ . 1 . 2]"
1 60 ILE 0.316 0.073 16 0 "[ . 1 . 2]"
1 61 ILE 1.191 0.082 4 0 "[ . 1 . 2]"
1 62 PRO 0.005 0.005 1 0 "[ . 1 . 2]"
1 63 ILE 0.529 0.068 13 0 "[ . 1 . 2]"
1 64 ASN 0.667 0.072 12 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 HIS 0.372 0.078 11 0 "[ . 1 . 2]"
1 67 PHE 3.442 0.173 9 0 "[ . 1 . 2]"
1 68 ARG 3.337 0.236 10 0 "[ . 1 . 2]"
1 69 CYS 2.273 0.236 10 0 "[ . 1 . 2]"
1 70 VAL 4.303 0.211 17 0 "[ . 1 . 2]"
1 71 GLN 0.940 0.120 10 0 "[ . 1 . 2]"
1 72 GLU 5.039 0.322 19 0 "[ . 1 . 2]"
1 73 ALA 4.859 0.322 19 0 "[ . 1 . 2]"
1 74 GLU 0.691 0.095 12 0 "[ . 1 . 2]"
1 75 GLU 2.208 0.277 19 0 "[ . 1 . 2]"
1 76 THR 6.911 0.310 19 0 "[ . 1 . 2]"
1 77 LEU 2.531 0.220 11 0 "[ . 1 . 2]"
1 78 LEU 3.840 0.237 5 0 "[ . 1 . 2]"
1 79 ILE 5.852 0.237 5 0 "[ . 1 . 2]"
1 80 ASP 3.475 0.175 5 0 "[ . 1 . 2]"
1 81 ILE 0.093 0.032 3 0 "[ . 1 . 2]"
1 82 ALA 0.351 0.158 7 0 "[ . 1 . 2]"
1 83 SER 2.204 0.122 8 0 "[ . 1 . 2]"
1 84 ASN 3.354 0.274 8 0 "[ . 1 . 2]"
1 85 SER 1.523 0.274 8 0 "[ . 1 . 2]"
1 86 GLY 2.320 0.115 12 0 "[ . 1 . 2]"
1 87 CYS 1.835 0.102 11 0 "[ . 1 . 2]"
1 88 LYS 4.308 0.212 20 0 "[ . 1 . 2]"
1 89 ILE 1.826 0.173 19 0 "[ . 1 . 2]"
1 90 ARG 4.184 0.247 19 0 "[ . 1 . 2]"
1 91 VAL 5.771 0.142 8 0 "[ . 1 . 2]"
1 92 GLN 1.643 0.208 20 0 "[ . 1 . 2]"
1 93 GLY 0.811 0.208 20 0 "[ . 1 . 2]"
1 94 ASP 0.448 0.107 7 0 "[ . 1 . 2]"
1 95 TRP 0.217 0.053 1 0 "[ . 1 . 2]"
1 96 ILE 0.954 0.107 7 0 "[ . 1 . 2]"
1 97 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLU 0.693 0.144 1 0 "[ . 1 . 2]"
1 99 ARG 1.180 0.166 1 0 "[ . 1 . 2]"
1 100 ARG 4.190 0.226 18 0 "[ . 1 . 2]"
1 101 PHE 6.951 0.247 19 0 "[ . 1 . 2]"
1 102 GLU 2.100 0.180 18 0 "[ . 1 . 2]"
1 103 ILE 3.174 0.245 19 0 "[ . 1 . 2]"
1 104 PRO 2.174 0.142 6 0 "[ . 1 . 2]"
1 105 ASP 2.454 0.113 15 0 "[ . 1 . 2]"
1 106 GLU 2.886 0.160 5 0 "[ . 1 . 2]"
1 107 GLU 1.423 0.252 19 0 "[ . 1 . 2]"
1 108 HIS 2.144 0.160 5 0 "[ . 1 . 2]"
1 109 CYS 4.748 0.156 11 0 "[ . 1 . 2]"
1 110 LEU 15.129 0.448 12 0 "[ . 1 . 2]"
1 111 LYS 8.811 0.448 12 0 "[ . 1 . 2]"
1 112 PHE 3.354 0.218 14 0 "[ . 1 . 2]"
1 113 LEU 5.947 0.255 14 0 "[ . 1 . 2]"
1 114 SER 0.839 0.115 4 0 "[ . 1 . 2]"
1 115 ALA 0.896 0.115 4 0 "[ . 1 . 2]"
1 116 VAL 1.336 0.104 10 0 "[ . 1 . 2]"
1 117 LEU 3.597 0.200 18 0 "[ . 1 . 2]"
1 118 ALA 3.963 0.200 18 0 "[ . 1 . 2]"
1 119 ALA 1.225 0.111 8 0 "[ . 1 . 2]"
1 120 GLN 3.768 0.132 6 0 "[ . 1 . 2]"
1 121 LYS 8.647 0.230 10 0 "[ . 1 . 2]"
1 122 ALA 7.523 0.230 10 0 "[ . 1 . 2]"
1 123 GLN 1.899 0.105 10 0 "[ . 1 . 2]"
1 124 SER 0.280 0.075 1 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 19 THR HA 1 20 VAL QG 0.000 . 5.040 3.362 3.099 3.762 . 0 0 "[ . 1 . 2]" 1
2 1 36 THR HB 1 47 ILE HB 0.000 . 3.800 2.564 2.330 2.815 . 0 0 "[ . 1 . 2]" 1
3 1 36 THR HB 1 47 ILE MG 0.000 . 4.600 3.592 3.408 3.893 . 0 0 "[ . 1 . 2]" 1
4 1 36 THR HB 1 47 ILE MD 0.000 . 4.640 3.655 3.288 4.201 . 0 0 "[ . 1 . 2]" 1
5 1 19 THR HB 1 36 THR MG 0.000 . 3.990 2.358 2.238 2.598 . 0 0 "[ . 1 . 2]" 1
6 1 11 PRO QD 1 47 ILE MD 0.000 . 3.740 2.181 1.898 2.732 . 0 0 "[ . 1 . 2]" 1
7 1 38 ALA H 1 47 ILE MD 0.000 . 4.990 4.380 4.133 4.718 . 0 0 "[ . 1 . 2]" 1
8 1 17 LEU H 1 36 THR MG 0.000 . 5.130 4.255 3.874 4.601 . 0 0 "[ . 1 . 2]" 1
9 1 19 THR HA 1 36 THR MG 0.000 . 4.990 2.765 2.605 3.536 . 0 0 "[ . 1 . 2]" 1
10 1 16 PRO QG 1 36 THR MG 0.000 . 4.940 3.753 2.928 4.400 . 0 0 "[ . 1 . 2]" 1
11 1 16 PRO QB 1 36 THR MG 0.000 . 3.490 2.425 2.122 2.853 . 0 0 "[ . 1 . 2]" 1
12 1 10 LEU HG 1 36 THR MG 0.000 . 4.460 4.183 2.658 4.506 0.046 10 0 "[ . 1 . 2]" 1
13 1 36 THR MG 1 47 ILE MD 0.000 . 4.520 3.200 2.834 3.541 . 0 0 "[ . 1 . 2]" 1
14 1 119 ALA HA 1 122 ALA MB 0.000 . 3.680 2.924 2.627 3.162 . 0 0 "[ . 1 . 2]" 1
15 1 121 LYS H 1 122 ALA MB 0.000 . 4.870 4.297 4.211 4.367 . 0 0 "[ . 1 . 2]" 1
16 1 119 ALA MB 1 122 ALA MB 0.000 . 5.200 4.135 3.907 4.314 . 0 0 "[ . 1 . 2]" 1
17 1 121 LYS QD 1 122 ALA MB 0.000 . 4.930 4.876 4.677 5.151 0.221 19 0 "[ . 1 . 2]" 1
18 1 121 LYS HA 1 121 LYS QG 0.000 . 3.520 2.406 2.370 2.442 . 0 0 "[ . 1 . 2]" 1
19 1 121 LYS HA 1 121 LYS QD 0.000 . 4.120 4.009 3.942 4.188 0.068 3 0 "[ . 1 . 2]" 1
20 1 118 ALA HA 1 121 LYS QD 0.000 . 4.340 2.967 2.273 3.358 . 0 0 "[ . 1 . 2]" 1
21 1 121 LYS H 1 121 LYS QG 0.000 . 4.060 3.480 2.070 3.952 . 0 0 "[ . 1 . 2]" 1
22 1 121 LYS QE 1 121 LYS QG 0.000 . 3.450 2.202 2.126 2.321 . 0 0 "[ . 1 . 2]" 1
23 1 120 GLN HA 1 120 GLN QG 0.000 . 3.850 2.318 2.256 2.581 . 0 0 "[ . 1 . 2]" 1
24 1 120 GLN HA 1 123 GLN QG 0.000 . 3.890 2.949 2.266 3.572 . 0 0 "[ . 1 . 2]" 1
25 1 63 ILE MG 1 120 GLN HA 0.000 . 3.820 2.933 2.720 3.182 . 0 0 "[ . 1 . 2]" 1
26 1 120 GLN H 1 120 GLN QB 0.000 . 3.180 2.332 2.250 2.382 . 0 0 "[ . 1 . 2]" 1
27 1 67 PHE QE 1 120 GLN QG 0.000 . 4.490 3.366 2.862 3.902 . 0 0 "[ . 1 . 2]" 1
28 1 63 ILE MG 1 120 GLN QG 0.000 . 4.100 2.092 1.905 2.832 . 0 0 "[ . 1 . 2]" 1
29 1 119 ALA MB 1 120 GLN QG 0.000 . 5.210 3.141 3.003 3.303 . 0 0 "[ . 1 . 2]" 1
30 1 116 VAL QG 1 120 GLN QG 0.000 . 4.760 3.042 2.699 3.214 . 0 0 "[ . 1 . 2]" 1
31 1 47 ILE MG 1 61 ILE H 0.000 . 5.500 4.346 4.017 4.701 . 0 0 "[ . 1 . 2]" 1
32 1 44 TYR QD 1 119 ALA MB 0.000 . 4.120 2.461 2.148 2.851 . 0 0 "[ . 1 . 2]" 1
33 1 47 ILE MG 1 58 GLN HE21 0.000 . 5.010 2.985 1.652 4.692 . 0 0 "[ . 1 . 2]" 1
34 1 44 TYR QB 1 119 ALA MB 0.000 . 4.190 2.264 2.145 2.436 . 0 0 "[ . 1 . 2]" 1
35 1 63 ILE MG 1 119 ALA MB 0.000 . 4.280 2.727 2.286 3.077 . 0 0 "[ . 1 . 2]" 1
36 1 37 LEU HG 1 119 ALA MB 0.000 . 5.030 4.188 4.019 4.430 . 0 0 "[ . 1 . 2]" 1
37 1 47 ILE MG 1 49 GLN QG 0.000 . 4.630 2.405 2.216 3.069 . 0 0 "[ . 1 . 2]" 1
38 1 36 THR MG 1 47 ILE MG 0.000 . 5.820 4.296 4.092 4.664 . 0 0 "[ . 1 . 2]" 1
39 1 38 ALA MB 1 47 ILE MG 0.000 . 6.410 4.713 4.310 5.260 . 0 0 "[ . 1 . 2]" 1
40 1 118 ALA HA 1 121 LYS H 0.000 . 4.210 3.488 3.398 3.672 . 0 0 "[ . 1 . 2]" 1
41 1 118 ALA HA 1 121 LYS QB 0.000 . 3.750 2.479 2.303 2.884 . 0 0 "[ . 1 . 2]" 1
42 1 118 ALA HA 1 122 ALA MB 0.000 . 4.890 4.337 4.117 4.587 . 0 0 "[ . 1 . 2]" 1
43 1 118 ALA MB 1 119 ALA HA 0.000 . 4.830 3.825 3.790 3.841 . 0 0 "[ . 1 . 2]" 1
44 1 118 ALA MB 1 120 GLN H 0.000 . 5.210 4.678 4.542 4.730 . 0 0 "[ . 1 . 2]" 1
45 1 118 ALA MB 1 121 LYS H 0.000 . 5.320 4.647 4.579 4.769 . 0 0 "[ . 1 . 2]" 1
46 1 118 ALA MB 1 121 LYS QB 0.000 . 4.940 3.850 3.736 4.061 . 0 0 "[ . 1 . 2]" 1
47 1 118 ALA MB 1 121 LYS QD 0.000 . 4.410 4.023 3.565 4.369 . 0 0 "[ . 1 . 2]" 1
48 1 118 ALA MB 1 119 ALA MB 0.000 . 5.020 3.806 3.695 3.876 . 0 0 "[ . 1 . 2]" 1
49 1 117 LEU HA 1 120 GLN QB 0.000 . 5.110 3.066 2.713 3.324 . 0 0 "[ . 1 . 2]" 1
50 1 116 VAL H 1 117 LEU QB 0.000 . 4.890 4.412 4.344 4.451 . 0 0 "[ . 1 . 2]" 1
51 1 114 SER HA 1 117 LEU QB 0.000 . 4.180 2.776 2.653 2.871 . 0 0 "[ . 1 . 2]" 1
52 1 117 LEU QB 1 118 ALA H 0.000 . 3.020 2.436 2.349 2.496 . 0 0 "[ . 1 . 2]" 1
53 1 117 LEU QB 1 118 ALA MB 0.000 . 4.640 3.805 3.719 3.869 . 0 0 "[ . 1 . 2]" 1
54 1 117 LEU HA 1 117 LEU QD 0.000 . 3.940 2.185 2.079 3.052 . 0 0 "[ . 1 . 2]" 1
55 1 117 LEU H 1 117 LEU QD 0.000 . 4.700 3.696 3.675 3.742 . 0 0 "[ . 1 . 2]" 1
56 1 117 LEU QD 1 120 GLN H 0.000 . 6.000 4.310 4.111 4.994 . 0 0 "[ . 1 . 2]" 1
57 1 116 VAL HA 1 118 ALA H 0.000 . 4.670 4.518 4.371 4.668 . 0 0 "[ . 1 . 2]" 1
58 1 37 LEU QD 1 116 VAL HA 0.000 . 3.770 2.090 2.038 2.190 . 0 0 "[ . 1 . 2]" 1
59 1 116 VAL HA 1 119 ALA MB 0.000 . 3.720 2.574 2.403 2.714 . 0 0 "[ . 1 . 2]" 1
60 1 113 LEU HA 1 116 VAL QG 0.000 . 4.380 3.525 3.217 3.651 . 0 0 "[ . 1 . 2]" 1
61 1 37 LEU QD 1 116 VAL QG 0.000 . 3.950 2.027 1.901 2.259 . 0 0 "[ . 1 . 2]" 1
62 1 116 VAL QG 1 119 ALA MB 0.000 . 4.560 3.210 3.117 3.320 . 0 0 "[ . 1 . 2]" 1
63 1 112 PHE QD 1 116 VAL QG 0.000 . 3.880 2.901 2.731 2.993 . 0 0 "[ . 1 . 2]" 1
64 1 67 PHE HZ 1 116 VAL QG 0.000 . 3.620 3.285 2.729 3.625 0.005 3 0 "[ . 1 . 2]" 1
65 1 116 VAL H 1 116 VAL QG 0.000 . 3.430 2.243 2.188 2.293 . 0 0 "[ . 1 . 2]" 1
66 1 37 LEU QB 1 116 VAL QG 0.000 . 4.280 2.341 2.210 2.527 . 0 0 "[ . 1 . 2]" 1
67 1 69 CYS QB 1 91 VAL QG 0.000 . 4.090 3.267 2.183 3.859 . 0 0 "[ . 1 . 2]" 1
68 1 69 CYS QB 1 116 VAL QG 0.000 . 3.800 2.778 2.176 3.432 . 0 0 "[ . 1 . 2]" 1
69 1 115 ALA HA 1 118 ALA MB 0.000 . 3.850 2.827 2.695 3.007 . 0 0 "[ . 1 . 2]" 1
70 1 115 ALA MB 1 116 VAL QG 0.000 . 4.510 2.963 2.901 3.038 . 0 0 "[ . 1 . 2]" 1
71 1 37 LEU QD 1 115 ALA MB 0.000 . 3.880 1.951 1.910 2.025 . 0 0 "[ . 1 . 2]" 1
72 1 115 ALA MB 1 119 ALA MB 0.000 . 6.020 4.340 4.063 4.634 . 0 0 "[ . 1 . 2]" 1
73 1 18 ALA MB 1 115 ALA MB 0.000 . 3.810 2.328 2.180 2.465 . 0 0 "[ . 1 . 2]" 1
74 1 115 ALA MB 1 116 VAL HB 0.000 . 4.940 4.395 4.347 4.513 . 0 0 "[ . 1 . 2]" 1
75 1 115 ALA MB 1 116 VAL HA 0.000 . 4.730 3.758 3.739 3.774 . 0 0 "[ . 1 . 2]" 1
76 1 112 PHE QD 1 115 ALA MB 0.000 . 5.280 4.337 3.921 4.529 . 0 0 "[ . 1 . 2]" 1
77 1 18 ALA H 1 115 ALA MB 0.000 . 4.870 4.208 3.892 4.409 . 0 0 "[ . 1 . 2]" 1
78 1 112 PHE H 1 115 ALA MB 0.000 . 5.510 4.784 4.727 4.866 . 0 0 "[ . 1 . 2]" 1
79 1 115 ALA MB 1 117 LEU H 0.000 . 5.870 4.533 4.465 4.615 . 0 0 "[ . 1 . 2]" 1
80 1 113 LEU HA 1 116 VAL H 0.000 . 4.150 3.713 3.505 3.848 . 0 0 "[ . 1 . 2]" 1
81 1 112 PHE QD 1 113 LEU HA 0.000 . 4.790 3.665 3.476 4.115 . 0 0 "[ . 1 . 2]" 1
82 1 112 PHE QE 1 113 LEU HA 0.000 . 5.130 4.355 4.200 4.777 . 0 0 "[ . 1 . 2]" 1
83 1 112 PHE QB 1 113 LEU HA 0.000 . 5.500 4.288 4.266 4.339 . 0 0 "[ . 1 . 2]" 1
84 1 113 LEU HA 1 113 LEU QD 0.000 . 3.610 2.106 1.992 2.215 . 0 0 "[ . 1 . 2]" 1
85 1 113 LEU HA 1 113 LEU HG 0.000 . 3.320 2.890 2.470 3.575 0.255 14 0 "[ . 1 . 2]" 1
86 1 18 ALA MB 1 116 VAL QG 0.000 . 5.440 4.065 3.787 4.253 . 0 0 "[ . 1 . 2]" 1
87 1 18 ALA MB 1 112 PHE HA 0.000 . 4.390 2.983 2.637 3.416 . 0 0 "[ . 1 . 2]" 1
88 1 18 ALA MB 1 112 PHE QB 0.000 . 4.710 3.989 3.595 4.481 . 0 0 "[ . 1 . 2]" 1
89 1 113 LEU H 1 113 LEU QB 0.000 . 2.920 2.337 2.142 2.399 . 0 0 "[ . 1 . 2]" 1
90 1 112 PHE QD 1 113 LEU HG 0.000 . 4.330 2.561 2.315 4.548 0.218 14 0 "[ . 1 . 2]" 1
91 1 8 PRO QG 1 10 LEU H 0.000 . 4.410 3.739 3.530 4.633 0.223 15 0 "[ . 1 . 2]" 1
92 1 113 LEU H 1 113 LEU HG 0.000 . 3.750 2.436 2.207 3.979 0.229 7 0 "[ . 1 . 2]" 1
93 1 107 GLU HA 1 110 LEU HG 0.000 . 4.060 3.226 2.753 3.492 . 0 0 "[ . 1 . 2]" 1
94 1 113 LEU H 1 113 LEU QD 0.000 . 4.250 2.999 1.951 3.270 . 0 0 "[ . 1 . 2]" 1
95 1 113 LEU QD 1 114 SER H 0.000 . 4.930 4.093 3.847 4.176 . 0 0 "[ . 1 . 2]" 1
96 1 20 VAL H 1 112 PHE QB 0.000 . 5.020 4.689 4.475 5.014 . 0 0 "[ . 1 . 2]" 1
97 1 112 PHE QB 1 116 VAL QG 0.000 . 5.560 4.195 4.090 4.346 . 0 0 "[ . 1 . 2]" 1
98 1 112 PHE QD 1 113 LEU QD 0.000 . 4.740 2.443 1.989 3.156 . 0 0 "[ . 1 . 2]" 1
99 1 112 PHE HA 1 112 PHE QD 0.000 . 3.780 2.521 2.293 2.644 . 0 0 "[ . 1 . 2]" 1
100 1 112 PHE HA 1 115 ALA MB 0.000 . 3.670 3.178 3.091 3.263 . 0 0 "[ . 1 . 2]" 1
101 1 111 LYS HA 1 111 LYS QG 0.000 . 3.510 2.373 2.277 2.976 . 0 0 "[ . 1 . 2]" 1
102 1 111 LYS QE 1 111 LYS QG 0.000 . 3.350 2.179 2.108 2.300 . 0 0 "[ . 1 . 2]" 1
103 1 111 LYS HA 1 111 LYS QD 0.000 . 4.460 3.777 2.131 3.971 . 0 0 "[ . 1 . 2]" 1
104 1 111 LYS H 1 111 LYS QD 0.000 . 4.470 3.758 3.142 4.244 . 0 0 "[ . 1 . 2]" 1
105 1 110 LEU QD 1 111 LYS QE 0.000 . 4.900 4.766 3.444 4.954 0.054 9 0 "[ . 1 . 2]" 1
106 1 110 LEU HA 1 113 LEU QB 0.000 . 4.130 2.970 2.821 3.036 . 0 0 "[ . 1 . 2]" 1
107 1 110 LEU H 1 110 LEU QB 0.000 . 3.190 2.450 2.396 2.637 . 0 0 "[ . 1 . 2]" 1
108 1 110 LEU QB 1 111 LYS H 0.000 . 3.640 2.547 2.388 3.461 . 0 0 "[ . 1 . 2]" 1
109 1 110 LEU H 1 110 LEU QD 0.000 . 3.800 3.010 2.719 3.111 . 0 0 "[ . 1 . 2]" 1
110 1 107 GLU HA 1 110 LEU QD 0.000 . 3.840 2.491 2.115 2.709 . 0 0 "[ . 1 . 2]" 1
111 1 110 LEU QD 1 111 LYS HA 0.000 . 4.620 4.791 2.613 5.068 0.448 12 0 "[ . 1 . 2]" 1
112 1 106 GLU QG 1 110 LEU QD 0.000 . 3.690 2.562 2.219 2.724 . 0 0 "[ . 1 . 2]" 1
113 1 109 CYS HA 1 112 PHE QB 0.000 . 4.610 2.478 2.314 2.977 . 0 0 "[ . 1 . 2]" 1
114 1 103 ILE HB 1 109 CYS QB 0.000 . 4.020 3.184 2.839 3.469 . 0 0 "[ . 1 . 2]" 1
115 1 109 CYS QB 1 110 LEU HG 0.000 . 5.500 3.479 3.237 4.143 . 0 0 "[ . 1 . 2]" 1
116 1 20 VAL QG 1 108 HIS QB 0.000 . 4.570 1.998 1.817 2.214 . 0 0 "[ . 1 . 2]" 1
117 1 106 GLU QG 1 107 GLU HA 0.000 . 4.110 3.458 3.375 3.547 . 0 0 "[ . 1 . 2]" 1
118 1 107 GLU H 1 107 GLU QB 0.000 . 3.650 2.512 2.412 2.706 . 0 0 "[ . 1 . 2]" 1
119 1 107 GLU QB 1 110 LEU QD 0.000 . 4.950 3.735 3.258 3.941 . 0 0 "[ . 1 . 2]" 1
120 1 107 GLU HA 1 107 GLU QG 0.000 . 3.670 3.334 3.277 3.460 . 0 0 "[ . 1 . 2]" 1
121 1 107 GLU H 1 107 GLU QG 0.000 . 3.130 2.158 1.794 2.537 . 0 0 "[ . 1 . 2]" 1
122 1 106 GLU HA 1 109 CYS QB 0.000 . 3.780 2.384 2.263 2.467 . 0 0 "[ . 1 . 2]" 1
123 1 106 GLU HA 1 106 GLU QG 0.000 . 3.680 2.348 2.315 2.380 . 0 0 "[ . 1 . 2]" 1
124 1 106 GLU QB 1 110 LEU QD 0.000 . 4.980 4.106 3.818 4.258 . 0 0 "[ . 1 . 2]" 1
125 1 106 GLU QG 1 107 GLU H 0.000 . 3.660 3.385 3.303 3.521 . 0 0 "[ . 1 . 2]" 1
126 1 103 ILE MG 1 105 ASP QB 0.000 . 5.040 2.715 2.504 2.909 . 0 0 "[ . 1 . 2]" 1
127 1 105 ASP QB 1 108 HIS QB 0.000 . 4.140 2.098 2.054 2.191 . 0 0 "[ . 1 . 2]" 1
128 1 104 PRO QB 1 105 ASP H 0.000 . 3.760 3.567 3.506 3.633 . 0 0 "[ . 1 . 2]" 1
129 1 103 ILE MG 1 104 PRO QD 0.000 . 4.560 3.067 2.831 3.211 . 0 0 "[ . 1 . 2]" 1
130 1 104 PRO QG 1 105 ASP H 0.000 . 3.570 3.014 2.908 3.130 . 0 0 "[ . 1 . 2]" 1
131 1 103 ILE MD 1 112 PHE QE 0.000 . 5.030 3.416 2.253 4.371 . 0 0 "[ . 1 . 2]" 1
132 1 103 ILE MD 1 112 PHE QB 0.000 . 5.450 3.676 2.967 4.002 . 0 0 "[ . 1 . 2]" 1
133 1 20 VAL HB 1 103 ILE MD 0.000 . 5.020 4.069 2.822 5.265 0.245 19 0 "[ . 1 . 2]" 1
134 1 103 ILE MD 1 103 ILE MG 0.000 . 3.780 2.383 1.801 3.146 . 0 0 "[ . 1 . 2]" 1
135 1 20 VAL QG 1 103 ILE MD 0.000 . 3.950 2.629 1.858 3.886 . 0 0 "[ . 1 . 2]" 1
136 1 35 LEU QD 1 103 ILE MD 0.000 . 4.170 2.262 1.775 3.576 . 0 0 "[ . 1 . 2]" 1
137 1 20 VAL QG 1 103 ILE MG 0.000 . 3.950 2.461 1.896 3.090 . 0 0 "[ . 1 . 2]" 1
138 1 103 ILE MG 1 108 HIS QB 0.000 . 4.210 2.781 1.998 3.081 . 0 0 "[ . 1 . 2]" 1
139 1 103 ILE MG 1 109 CYS QB 0.000 . 3.910 2.423 2.165 3.082 . 0 0 "[ . 1 . 2]" 1
140 1 103 ILE MG 1 106 GLU HA 0.000 . 5.360 4.192 3.785 4.752 . 0 0 "[ . 1 . 2]" 1
141 1 103 ILE MG 1 109 CYS HA 0.000 . 4.550 2.456 2.258 2.910 . 0 0 "[ . 1 . 2]" 1
142 1 103 ILE MG 1 110 LEU H 0.000 . 5.300 4.873 4.655 5.138 . 0 0 "[ . 1 . 2]" 1
143 1 103 ILE MG 1 113 LEU H 0.000 . 5.970 5.529 5.290 5.953 . 0 0 "[ . 1 . 2]" 1
144 1 31 GLU QB 1 32 PRO QD 0.000 . 4.320 2.614 2.384 3.445 . 0 0 "[ . 1 . 2]" 1
145 1 102 GLU H 1 102 GLU QG 0.000 . 4.210 4.097 4.073 4.123 . 0 0 "[ . 1 . 2]" 1
146 1 89 ILE QG 1 101 PHE QB 0.000 . 4.260 2.139 2.034 2.244 . 0 0 "[ . 1 . 2]" 1
147 1 101 PHE QB 1 103 ILE QG 0.000 . 5.300 4.064 3.709 4.553 . 0 0 "[ . 1 . 2]" 1
148 1 8 PRO QB 1 9 PRO QD 0.000 . 3.660 2.229 2.214 2.250 . 0 0 "[ . 1 . 2]" 1
149 1 97 ARG QB 1 98 GLU H 0.000 . 3.580 2.465 1.841 3.362 . 0 0 "[ . 1 . 2]" 1
150 1 39 GLN QG 1 44 TYR QD 0.000 . 4.940 3.795 3.441 3.982 . 0 0 "[ . 1 . 2]" 1
151 1 50 LEU H 1 57 VAL HB 0.000 . 5.500 4.049 3.233 5.470 . 0 0 "[ . 1 . 2]" 1
152 1 67 PHE QE 1 91 VAL HB 0.000 . 5.000 4.341 4.065 4.533 . 0 0 "[ . 1 . 2]" 1
153 1 91 VAL HB 1 101 PHE QD 0.000 . 5.250 3.810 3.209 4.163 . 0 0 "[ . 1 . 2]" 1
154 1 91 VAL QG 1 101 PHE QE 0.000 . 4.590 2.553 2.095 2.894 . 0 0 "[ . 1 . 2]" 1
155 1 35 LEU QD 1 89 ILE MD 0.000 . 4.270 2.223 1.887 2.798 . 0 0 "[ . 1 . 2]" 1
156 1 89 ILE MD 1 89 ILE MG 0.000 . 3.770 2.445 1.810 3.086 . 0 0 "[ . 1 . 2]" 1
157 1 89 ILE MD 1 103 ILE QG 0.000 . 4.930 4.449 3.467 4.975 0.045 4 0 "[ . 1 . 2]" 1
158 1 89 ILE MD 1 101 PHE QB 0.000 . 4.610 2.562 2.044 3.164 . 0 0 "[ . 1 . 2]" 1
159 1 89 ILE MD 1 101 PHE QD 0.000 . 3.950 2.940 2.240 3.992 0.042 6 0 "[ . 1 . 2]" 1
160 1 89 ILE MD 1 112 PHE QE 0.000 . 4.460 2.526 2.056 3.442 . 0 0 "[ . 1 . 2]" 1
161 1 89 ILE MG 1 103 ILE MD 0.000 . 5.000 4.143 2.919 5.026 0.026 7 0 "[ . 1 . 2]" 1
162 1 71 GLN QG 1 89 ILE MG 0.000 . 3.930 3.187 2.418 3.702 . 0 0 "[ . 1 . 2]" 1
163 1 89 ILE H 1 89 ILE MG 0.000 . 4.040 2.791 2.627 3.128 . 0 0 "[ . 1 . 2]" 1
164 1 48 ILE MG 1 101 PHE HZ 0.000 . 4.050 2.524 2.168 3.698 . 0 0 "[ . 1 . 2]" 1
165 1 89 ILE MG 1 112 PHE QE 0.000 . 4.380 2.670 2.217 3.310 . 0 0 "[ . 1 . 2]" 1
166 1 72 GLU H 1 89 ILE MG 0.000 . 4.370 3.909 3.618 4.225 . 0 0 "[ . 1 . 2]" 1
167 1 89 ILE QG 1 101 PHE QD 0.000 . 3.750 3.175 2.294 3.838 0.088 8 0 "[ . 1 . 2]" 1
168 1 88 LYS QB 1 88 LYS QD 0.000 . 3.290 2.128 2.102 2.309 . 0 0 "[ . 1 . 2]" 1
169 1 17 LEU QD 1 39 GLN H 0.000 . 4.440 3.308 3.075 3.698 . 0 0 "[ . 1 . 2]" 1
170 1 87 CYS QB 1 103 ILE HB 0.000 . 5.100 3.612 3.155 4.632 . 0 0 "[ . 1 . 2]" 1
171 1 71 GLN QG 1 87 CYS QB 0.000 . 4.390 2.949 2.221 3.362 . 0 0 "[ . 1 . 2]" 1
172 1 80 ASP H 1 83 SER QB 0.000 . 5.500 5.433 4.867 5.622 0.122 8 0 "[ . 1 . 2]" 1
173 1 82 ALA H 1 83 SER QB 0.000 . 5.500 4.663 4.468 4.958 . 0 0 "[ . 1 . 2]" 1
174 1 79 ILE MG 1 83 SER QB 0.000 . 5.130 4.020 2.423 4.468 . 0 0 "[ . 1 . 2]" 1
175 1 81 ILE H 1 82 ALA MB 0.000 . 5.080 4.237 3.687 4.318 . 0 0 "[ . 1 . 2]" 1
176 1 82 ALA MB 1 83 SER QB 0.000 . 5.020 3.569 3.242 4.008 . 0 0 "[ . 1 . 2]" 1
177 1 79 ILE MG 1 82 ALA MB 0.000 . 4.480 2.061 1.828 2.990 . 0 0 "[ . 1 . 2]" 1
178 1 79 ILE MD 1 80 ASP H 0.000 . 6.000 4.637 3.533 5.106 . 0 0 "[ . 1 . 2]" 1
179 1 81 ILE MD 1 82 ALA H 0.000 . 6.000 4.493 4.418 4.744 . 0 0 "[ . 1 . 2]" 1
180 1 63 ILE MD 1 63 ILE MG 0.000 . 3.980 1.855 1.825 1.889 . 0 0 "[ . 1 . 2]" 1
181 1 37 LEU QD 1 63 ILE MD 0.000 . 4.000 1.862 1.832 1.953 . 0 0 "[ . 1 . 2]" 1
182 1 63 ILE MD 1 119 ALA MB 0.000 . 4.290 2.307 2.074 2.545 . 0 0 "[ . 1 . 2]" 1
183 1 63 ILE MD 1 116 VAL QG 0.000 . 4.180 2.830 2.315 3.207 . 0 0 "[ . 1 . 2]" 1
184 1 46 LEU QB 1 63 ILE MD 0.000 . 4.240 2.497 2.268 2.710 . 0 0 "[ . 1 . 2]" 1
185 1 44 TYR QB 1 63 ILE MD 0.000 . 3.930 2.141 2.060 2.332 . 0 0 "[ . 1 . 2]" 1
186 1 63 ILE MD 1 67 PHE HZ 0.000 . 5.470 4.522 4.178 4.983 . 0 0 "[ . 1 . 2]" 1
187 1 44 TYR QD 1 63 ILE MD 0.000 . 4.780 3.566 3.405 3.821 . 0 0 "[ . 1 . 2]" 1
188 1 63 ILE MD 1 67 PHE QE 0.000 . 5.170 3.651 3.501 3.852 . 0 0 "[ . 1 . 2]" 1
189 1 63 ILE MD 1 67 PHE QD 0.000 . 4.970 4.358 4.185 4.443 . 0 0 "[ . 1 . 2]" 1
190 1 81 ILE MG 1 82 ALA H 0.000 . 4.720 3.457 3.268 3.897 . 0 0 "[ . 1 . 2]" 1
191 1 81 ILE H 1 81 ILE MG 0.000 . 4.550 3.741 3.727 3.856 . 0 0 "[ . 1 . 2]" 1
192 1 79 ILE H 1 79 ILE MG 0.000 . 4.570 3.824 3.764 3.862 . 0 0 "[ . 1 . 2]" 1
193 1 80 ASP H 1 80 ASP QB 0.000 . 3.060 2.818 2.608 3.235 0.175 5 0 "[ . 1 . 2]" 1
194 1 79 ILE MG 1 80 ASP QB 0.000 . 5.030 4.431 4.205 4.668 . 0 0 "[ . 1 . 2]" 1
195 1 78 LEU H 1 78 LEU QB 0.000 . 3.530 2.324 2.139 2.549 . 0 0 "[ . 1 . 2]" 1
196 1 20 VAL QG 1 112 PHE QD 0.000 . 4.010 2.738 2.164 3.473 . 0 0 "[ . 1 . 2]" 1
197 1 20 VAL QG 1 112 PHE QB 0.000 . 3.840 1.971 1.805 2.177 . 0 0 "[ . 1 . 2]" 1
198 1 14 ALA MB 1 40 ARG QD 0.000 . 3.670 2.775 2.270 3.255 . 0 0 "[ . 1 . 2]" 1
199 1 11 PRO QD 1 14 ALA MB 0.000 . 4.470 2.901 2.185 4.015 . 0 0 "[ . 1 . 2]" 1
200 1 11 PRO QB 1 14 ALA MB 0.000 . 3.880 2.752 2.056 3.623 . 0 0 "[ . 1 . 2]" 1
201 1 11 PRO QG 1 14 ALA MB 0.000 . 4.150 2.424 2.036 3.056 . 0 0 "[ . 1 . 2]" 1
202 1 14 ALA MB 1 47 ILE MD 0.000 . 4.730 2.554 2.166 3.135 . 0 0 "[ . 1 . 2]" 1
203 1 71 GLN QB 1 113 LEU QD 0.000 . 4.230 3.239 1.997 3.762 . 0 0 "[ . 1 . 2]" 1
204 1 70 VAL QG 1 71 GLN H 0.000 . 4.100 3.552 3.476 3.608 . 0 0 "[ . 1 . 2]" 1
205 1 70 VAL QG 1 90 ARG QB 0.000 . 4.270 2.085 1.987 2.306 . 0 0 "[ . 1 . 2]" 1
206 1 67 PHE QD 1 69 CYS QB 0.000 . 4.660 4.596 4.365 4.734 0.074 6 0 "[ . 1 . 2]" 1
207 1 63 ILE HA 1 67 PHE QE 0.000 . 4.730 3.946 3.802 4.121 . 0 0 "[ . 1 . 2]" 1
208 1 44 TYR QB 1 63 ILE HB 0.000 . 3.940 2.603 2.345 2.799 . 0 0 "[ . 1 . 2]" 1
209 1 63 ILE MG 1 120 GLN QB 0.000 . 4.280 3.753 3.598 4.273 . 0 0 "[ . 1 . 2]" 1
210 1 44 TYR QB 1 63 ILE MG 0.000 . 4.420 3.027 2.771 3.265 . 0 0 "[ . 1 . 2]" 1
211 1 63 ILE MG 1 67 PHE QD 0.000 . 4.020 2.316 2.277 2.412 . 0 0 "[ . 1 . 2]" 1
212 1 61 ILE MD 1 61 ILE MG 0.000 . 3.980 1.886 1.808 2.015 . 0 0 "[ . 1 . 2]" 1
213 1 36 THR MG 1 47 ILE HB 0.000 . 4.740 3.463 3.239 3.850 . 0 0 "[ . 1 . 2]" 1
214 1 60 ILE MD 1 61 ILE H 0.000 . 5.900 4.536 3.738 5.357 . 0 0 "[ . 1 . 2]" 1
215 1 11 PRO QD 1 60 ILE MD 0.000 . 4.700 3.712 3.138 4.400 . 0 0 "[ . 1 . 2]" 1
216 1 11 PRO QB 1 60 ILE MD 0.000 . 4.730 4.146 3.592 4.803 0.073 16 0 "[ . 1 . 2]" 1
217 1 48 ILE HB 1 48 ILE MD 0.000 . 3.750 2.408 2.241 3.216 . 0 0 "[ . 1 . 2]" 1
218 1 48 ILE MD 1 101 PHE HZ 0.000 . 3.930 2.472 2.221 3.805 . 0 0 "[ . 1 . 2]" 1
219 1 48 ILE MD 1 101 PHE QE 0.000 . 4.270 2.948 2.548 3.615 . 0 0 "[ . 1 . 2]" 1
220 1 48 ILE H 1 48 ILE MD 0.000 . 4.850 3.582 2.906 3.895 . 0 0 "[ . 1 . 2]" 1
221 1 48 ILE MG 1 101 PHE QE 0.000 . 4.090 2.315 2.042 2.554 . 0 0 "[ . 1 . 2]" 1
222 1 33 CYS QB 1 48 ILE MG 0.000 . 4.480 3.138 2.628 3.641 . 0 0 "[ . 1 . 2]" 1
223 1 35 LEU QB 1 116 VAL QG 0.000 . 5.350 4.100 3.895 4.305 . 0 0 "[ . 1 . 2]" 1
224 1 35 LEU QB 1 112 PHE HZ 0.000 . 5.500 3.147 2.616 3.685 . 0 0 "[ . 1 . 2]" 1
225 1 35 LEU QB 1 112 PHE QE 0.000 . 5.410 2.373 2.255 2.777 . 0 0 "[ . 1 . 2]" 1
226 1 35 LEU QB 1 112 PHE QD 0.000 . 4.240 3.267 3.003 3.582 . 0 0 "[ . 1 . 2]" 1
227 1 57 VAL QG 1 58 GLN H 0.000 . 3.860 2.709 2.349 3.522 . 0 0 "[ . 1 . 2]" 1
228 1 19 THR H 1 19 THR MG 0.000 . 3.940 2.174 2.051 2.303 . 0 0 "[ . 1 . 2]" 1
229 1 19 THR MG 1 20 VAL H 0.000 . 4.780 4.067 3.677 4.187 . 0 0 "[ . 1 . 2]" 1
230 1 16 PRO QG 1 19 THR MG 0.000 . 5.700 4.850 4.481 5.405 . 0 0 "[ . 1 . 2]" 1
231 1 16 PRO QB 1 19 THR MG 0.000 . 4.920 3.858 3.523 4.338 . 0 0 "[ . 1 . 2]" 1
232 1 57 VAL H 1 57 VAL QG 0.000 . 3.870 2.100 1.766 2.678 . 0 0 "[ . 1 . 2]" 1
233 1 15 GLN H 1 15 GLN QB 0.000 . 3.260 2.546 2.441 2.650 . 0 0 "[ . 1 . 2]" 1
234 1 7 GLU QB 1 8 PRO QD 0.000 . 3.560 2.949 2.255 3.630 0.070 6 0 "[ . 1 . 2]" 1
235 1 55 GLN H 1 55 GLN QG 0.000 . 4.270 3.254 1.946 4.305 0.035 15 0 "[ . 1 . 2]" 1
236 1 54 GLU HA 1 54 GLU QG 0.000 . 3.650 2.579 2.304 3.310 . 0 0 "[ . 1 . 2]" 1
237 1 28 PRO QB 1 29 LEU QD 0.000 . 4.460 3.123 3.086 3.163 . 0 0 "[ . 1 . 2]" 1
238 1 113 LEU HA 1 116 VAL HB 0.000 . 3.580 2.845 2.627 3.017 . 0 0 "[ . 1 . 2]" 1
239 1 47 ILE MG 1 58 GLN QB 0.000 . 4.620 3.576 2.204 4.406 . 0 0 "[ . 1 . 2]" 1
240 1 32 PRO QB 1 51 HIS QB 0.000 . 3.710 2.464 2.264 2.843 . 0 0 "[ . 1 . 2]" 1
241 1 9 PRO QB 1 56 HIS QB 0.000 . 4.150 3.838 3.094 4.215 0.065 8 0 "[ . 1 . 2]" 1
242 1 46 LEU QB 1 61 ILE H 0.000 . 5.500 4.255 4.052 4.620 . 0 0 "[ . 1 . 2]" 1
243 1 47 ILE MG 1 59 ASP QB 0.000 . 6.000 4.307 3.887 4.829 . 0 0 "[ . 1 . 2]" 1
244 1 121 LYS QB 1 122 ALA H 0.000 . 3.110 2.409 2.324 2.472 . 0 0 "[ . 1 . 2]" 1
245 1 32 PRO QB 1 51 HIS HD2 0.000 . 4.310 2.718 2.240 3.476 . 0 0 "[ . 1 . 2]" 1
246 1 26 LYS QB 1 29 LEU QD 0.000 . 5.150 2.575 2.383 2.808 . 0 0 "[ . 1 . 2]" 1
247 1 26 LYS QD 1 29 LEU QD 0.000 . 4.740 3.498 3.095 4.212 . 0 0 "[ . 1 . 2]" 1
248 1 17 LEU QB 1 18 ALA H 0.000 . 3.410 2.440 2.387 2.654 . 0 0 "[ . 1 . 2]" 1
249 1 17 LEU QB 1 37 LEU QD 0.000 . 4.260 2.738 2.490 2.888 . 0 0 "[ . 1 . 2]" 1
250 1 23 MET H 1 23 MET ME 0.000 . 4.800 4.650 3.756 4.944 0.144 2 0 "[ . 1 . 2]" 1
251 1 21 GLU H 1 21 GLU QG 0.000 . 4.340 3.283 1.779 4.091 . 0 0 "[ . 1 . 2]" 1
252 1 25 MET H 1 25 MET ME 0.000 . 5.260 3.447 3.185 3.677 . 0 0 "[ . 1 . 2]" 1
253 1 25 MET ME 1 100 ARG QD 0.000 . 4.170 3.280 2.801 3.686 . 0 0 "[ . 1 . 2]" 1
254 1 25 MET ME 1 102 GLU H 0.000 . 5.480 3.868 3.646 4.132 . 0 0 "[ . 1 . 2]" 1
255 1 28 PRO QD 1 29 LEU HG 0.000 . 4.660 4.639 4.583 4.690 0.030 18 0 "[ . 1 . 2]" 1
256 1 9 PRO QD 1 10 LEU QB 0.000 . 4.370 4.366 4.048 4.471 0.101 10 0 "[ . 1 . 2]" 1
257 1 10 LEU QD 1 11 PRO QD 0.000 . 3.750 2.875 2.149 3.586 . 0 0 "[ . 1 . 2]" 1
258 1 10 LEU QB 1 11 PRO QD 0.000 . 3.690 2.327 2.193 2.687 . 0 0 "[ . 1 . 2]" 1
259 1 10 LEU QB 1 14 ALA MB 0.000 . 5.760 3.604 2.946 4.109 . 0 0 "[ . 1 . 2]" 1
260 1 10 LEU QB 1 36 THR MG 0.000 . 5.410 3.668 3.040 4.554 . 0 0 "[ . 1 . 2]" 1
261 1 10 LEU QD 1 36 THR HB 0.000 . 4.140 2.671 2.258 3.801 . 0 0 "[ . 1 . 2]" 1
262 1 10 LEU QD 1 49 GLN HE21 0.000 . 4.900 3.279 2.150 4.833 . 0 0 "[ . 1 . 2]" 1
263 1 10 LEU QD 1 36 THR MG 0.000 . 3.770 1.980 1.824 2.199 . 0 0 "[ . 1 . 2]" 1
264 1 10 LEU H 1 10 LEU QD 0.000 . 3.600 2.620 1.747 3.072 . 0 0 "[ . 1 . 2]" 1
265 1 10 LEU H 1 10 LEU HG 0.000 . 4.190 2.328 1.858 3.935 . 0 0 "[ . 1 . 2]" 1
266 1 11 PRO QG 1 47 ILE MD 0.000 . 4.150 2.619 2.038 3.206 . 0 0 "[ . 1 . 2]" 1
267 1 11 PRO QG 1 60 ILE MD 0.000 . 4.180 2.817 2.272 3.490 . 0 0 "[ . 1 . 2]" 1
268 1 12 VAL H 1 12 VAL HB 0.000 . 3.810 2.686 2.407 3.596 . 0 0 "[ . 1 . 2]" 1
269 1 9 PRO QB 1 10 LEU H 0.000 . 3.110 3.185 2.812 3.348 0.238 15 0 "[ . 1 . 2]" 1
270 1 39 GLN QB 1 40 ARG H 0.000 . 4.120 3.844 3.785 3.903 . 0 0 "[ . 1 . 2]" 1
271 1 39 GLN QB 1 44 TYR QD 0.000 . 4.800 3.592 2.975 3.811 . 0 0 "[ . 1 . 2]" 1
272 1 39 GLN QB 1 44 TYR QE 0.000 . 4.900 3.629 3.199 3.805 . 0 0 "[ . 1 . 2]" 1
273 1 38 ALA MB 1 39 GLN QB 0.000 . 5.440 4.373 4.300 4.432 . 0 0 "[ . 1 . 2]" 1
274 1 43 GLN QB 1 44 TYR H 0.000 . 4.260 3.496 3.373 3.694 . 0 0 "[ . 1 . 2]" 1
275 1 12 VAL QG 1 13 GLY H 0.000 . 4.180 2.840 1.844 3.587 . 0 0 "[ . 1 . 2]" 1
276 1 12 VAL QG 1 13 GLY QA 0.000 . 4.610 3.133 2.731 3.671 . 0 0 "[ . 1 . 2]" 1
277 1 73 ALA MB 1 75 GLU QB 0.000 . 6.000 4.280 2.882 5.938 . 0 0 "[ . 1 . 2]" 1
278 1 72 GLU QG 1 73 ALA MB 0.000 . 6.000 4.352 2.852 5.389 . 0 0 "[ . 1 . 2]" 1
279 1 73 ALA MB 1 74 GLU QG 0.000 . 5.600 3.838 2.590 4.456 . 0 0 "[ . 1 . 2]" 1
280 1 73 ALA MB 1 75 GLU QG 0.000 . 6.000 4.411 2.051 5.425 . 0 0 "[ . 1 . 2]" 1
281 1 72 GLU HA 1 73 ALA MB 0.000 . 6.000 4.542 4.111 4.937 . 0 0 "[ . 1 . 2]" 1
282 1 73 ALA MB 1 74 GLU HA 0.000 . 6.000 4.151 3.764 4.402 . 0 0 "[ . 1 . 2]" 1
283 1 73 ALA MB 1 76 THR HA 0.000 . 6.000 4.542 3.849 5.893 . 0 0 "[ . 1 . 2]" 1
284 1 14 ALA MB 1 39 GLN H 0.000 . 5.140 4.321 3.874 4.601 . 0 0 "[ . 1 . 2]" 1
285 1 14 ALA MB 1 15 GLN QB 0.000 . 5.670 4.603 4.328 4.733 . 0 0 "[ . 1 . 2]" 1
286 1 15 GLN QG 1 16 PRO QD 0.000 . 4.080 4.204 4.028 4.330 0.250 11 0 "[ . 1 . 2]" 1
287 1 14 ALA MB 1 15 GLN QG 0.000 . 4.960 4.357 4.131 4.461 . 0 0 "[ . 1 . 2]" 1
288 1 15 GLN QG 1 39 GLN QB 0.000 . 4.420 3.402 3.188 3.916 . 0 0 "[ . 1 . 2]" 1
289 1 43 GLN QG 1 45 GLU QB 0.000 . 4.560 3.327 3.130 3.472 . 0 0 "[ . 1 . 2]" 1
290 1 14 ALA MB 1 40 ARG QB 0.000 . 4.260 3.061 2.462 3.698 . 0 0 "[ . 1 . 2]" 1
291 1 39 GLN H 1 39 GLN QG 0.000 . 4.910 4.045 3.992 4.196 . 0 0 "[ . 1 . 2]" 1
292 1 16 PRO QG 1 38 ALA MB 0.000 . 5.730 3.995 2.851 4.761 . 0 0 "[ . 1 . 2]" 1
293 1 16 PRO QD 1 38 ALA MB 0.000 . 5.330 3.326 2.837 4.026 . 0 0 "[ . 1 . 2]" 1
294 1 76 THR MG 1 77 LEU HA 0.000 . 5.470 4.569 3.811 5.570 0.100 12 0 "[ . 1 . 2]" 1
295 1 18 ALA MB 1 37 LEU QD 0.000 . 4.230 3.316 3.079 3.579 . 0 0 "[ . 1 . 2]" 1
296 1 18 ALA MB 1 37 LEU QB 0.000 . 3.520 2.539 2.259 2.824 . 0 0 "[ . 1 . 2]" 1
297 1 18 ALA MB 1 111 LYS QB 0.000 . 4.820 2.951 2.428 3.220 . 0 0 "[ . 1 . 2]" 1
298 1 17 LEU H 1 18 ALA MB 0.000 . 5.310 4.622 4.228 4.709 . 0 0 "[ . 1 . 2]" 1
299 1 17 LEU HG 1 37 LEU QD 0.000 . 4.570 4.034 3.841 4.293 . 0 0 "[ . 1 . 2]" 1
300 1 32 PRO QG 1 33 CYS H 0.000 . 5.500 4.620 4.560 4.690 . 0 0 "[ . 1 . 2]" 1
301 1 32 PRO QG 1 51 HIS QB 0.000 . 3.910 2.740 2.080 3.949 0.039 15 0 "[ . 1 . 2]" 1
302 1 47 ILE H 1 47 ILE QG 0.000 . 3.840 2.519 2.402 2.672 . 0 0 "[ . 1 . 2]" 1
303 1 34 ALA MB 1 49 GLN QB 0.000 . 3.900 2.258 2.221 2.345 . 0 0 "[ . 1 . 2]" 1
304 1 20 VAL HB 1 21 GLU H 0.000 . 4.270 3.251 2.471 3.912 . 0 0 "[ . 1 . 2]" 1
305 1 20 VAL HB 1 108 HIS QB 0.000 . 4.600 2.916 2.282 4.053 . 0 0 "[ . 1 . 2]" 1
306 1 31 GLU QG 1 32 PRO QD 0.000 . 4.510 3.810 2.265 4.134 . 0 0 "[ . 1 . 2]" 1
307 1 20 VAL HB 1 103 ILE MG 0.000 . 4.700 3.580 2.565 4.612 . 0 0 "[ . 1 . 2]" 1
308 1 20 VAL HB 1 112 PHE QD 0.000 . 4.970 4.485 3.722 5.088 0.118 5 0 "[ . 1 . 2]" 1
309 1 33 CYS QB 1 50 LEU QD 0.000 . 3.850 2.308 1.954 2.762 . 0 0 "[ . 1 . 2]" 1
310 1 33 CYS QB 1 50 LEU HG 0.000 . 4.500 2.960 2.557 4.581 0.081 8 0 "[ . 1 . 2]" 1
311 1 45 GLU QB 1 60 ILE MG 0.000 . 4.060 3.204 2.897 3.563 . 0 0 "[ . 1 . 2]" 1
312 1 38 ALA MB 1 45 GLU QB 0.000 . 5.770 4.602 4.142 4.874 . 0 0 "[ . 1 . 2]" 1
313 1 25 MET QG 1 100 ARG QD 0.000 . 4.920 5.005 4.661 5.146 0.226 18 0 "[ . 1 . 2]" 1
314 1 26 LYS QB 1 26 LYS QE 0.000 . 3.690 3.054 2.164 3.538 . 0 0 "[ . 1 . 2]" 1
315 1 36 THR HB 1 38 ALA MB 0.000 . 6.000 4.538 4.428 4.746 . 0 0 "[ . 1 . 2]" 1
316 1 38 ALA MB 1 47 ILE MD 0.000 . 3.850 2.443 2.088 3.017 . 0 0 "[ . 1 . 2]" 1
317 1 16 PRO QB 1 38 ALA MB 0.000 . 4.080 3.215 3.023 3.496 . 0 0 "[ . 1 . 2]" 1
318 1 17 LEU H 1 38 ALA MB 0.000 . 4.530 3.428 3.268 3.910 . 0 0 "[ . 1 . 2]" 1
319 1 28 PRO QG 1 29 LEU H 0.000 . 2.740 2.547 2.491 2.582 . 0 0 "[ . 1 . 2]" 1
320 1 29 LEU H 1 29 LEU QD 0.000 . 4.260 2.451 2.240 2.638 . 0 0 "[ . 1 . 2]" 1
321 1 29 LEU QD 1 30 ARG H 0.000 . 3.650 2.832 2.522 2.963 . 0 0 "[ . 1 . 2]" 1
322 1 50 LEU H 1 50 LEU QD 0.000 . 4.310 2.440 2.261 2.606 . 0 0 "[ . 1 . 2]" 1
323 1 3 LEU H 1 3 LEU HG 0.000 . 4.470 2.608 2.171 4.491 0.021 11 0 "[ . 1 . 2]" 1
324 1 18 ALA H 1 37 LEU QB 0.000 . 4.940 2.813 2.657 2.998 . 0 0 "[ . 1 . 2]" 1
325 1 37 LEU QB 1 112 PHE QD 0.000 . 4.700 3.594 3.143 4.038 . 0 0 "[ . 1 . 2]" 1
326 1 31 GLU QG 1 50 LEU HG 0.000 . 3.870 3.141 2.876 4.109 0.239 8 0 "[ . 1 . 2]" 1
327 1 35 LEU H 1 35 LEU QD 0.000 . 4.130 2.877 2.037 3.267 . 0 0 "[ . 1 . 2]" 1
328 1 35 LEU QD 1 112 PHE HZ 0.000 . 4.510 2.401 2.111 3.048 . 0 0 "[ . 1 . 2]" 1
329 1 35 LEU QD 1 101 PHE QE 0.000 . 4.270 3.314 2.728 4.289 0.019 16 0 "[ . 1 . 2]" 1
330 1 37 LEU QD 1 44 TYR QE 0.000 . 4.310 3.878 3.732 4.078 . 0 0 "[ . 1 . 2]" 1
331 1 17 LEU H 1 37 LEU QD 0.000 . 4.540 4.276 4.096 4.376 . 0 0 "[ . 1 . 2]" 1
332 1 37 LEU QD 1 44 TYR QD 0.000 . 3.790 2.757 2.640 2.907 . 0 0 "[ . 1 . 2]" 1
333 1 37 LEU HG 1 38 ALA HA 0.000 . 5.500 3.652 3.528 3.809 . 0 0 "[ . 1 . 2]" 1
334 1 40 ARG QB 1 40 ARG QD 0.000 . 3.500 2.232 2.119 2.296 . 0 0 "[ . 1 . 2]" 1
335 1 38 ALA HA 1 39 GLN QB 0.000 . 5.500 3.977 3.922 4.021 . 0 0 "[ . 1 . 2]" 1
336 1 63 ILE MG 1 123 GLN QG 0.000 . 4.780 3.426 2.259 4.186 . 0 0 "[ . 1 . 2]" 1
337 1 45 GLU QG 1 47 ILE MD 0.000 . 5.830 3.470 2.963 3.675 . 0 0 "[ . 1 . 2]" 1
338 1 40 ARG H 1 45 GLU QG 0.000 . 5.240 3.156 2.826 3.528 . 0 0 "[ . 1 . 2]" 1
339 1 35 LEU QD 1 46 LEU QD 0.000 . 4.090 2.453 2.045 2.935 . 0 0 "[ . 1 . 2]" 1
340 1 46 LEU QD 1 67 PHE HZ 0.000 . 3.600 2.146 2.060 2.954 . 0 0 "[ . 1 . 2]" 1
341 1 36 THR H 1 46 LEU HG 0.000 . 5.200 4.390 4.150 5.245 0.045 6 0 "[ . 1 . 2]" 1
342 1 35 LEU HG 1 36 THR H 0.000 . 5.500 5.068 4.372 5.465 . 0 0 "[ . 1 . 2]" 1
343 1 35 LEU HG 1 101 PHE QD 0.000 . 5.500 4.230 3.456 4.812 . 0 0 "[ . 1 . 2]" 1
344 1 35 LEU HG 1 112 PHE QE 0.000 . 5.500 4.692 3.719 5.013 . 0 0 "[ . 1 . 2]" 1
345 1 35 LEU HG 1 112 PHE HZ 0.000 . 5.500 4.885 3.463 5.435 . 0 0 "[ . 1 . 2]" 1
346 1 50 LEU H 1 50 LEU HG 0.000 . 4.750 4.275 4.145 4.355 . 0 0 "[ . 1 . 2]" 1
347 1 48 ILE MD 1 59 ASP QB 0.000 . 5.150 3.494 2.391 4.796 . 0 0 "[ . 1 . 2]" 1
348 1 31 GLU QG 1 50 LEU QD 0.000 . 3.990 3.350 1.999 3.858 . 0 0 "[ . 1 . 2]" 1
349 1 50 LEU QD 1 51 HIS H 0.000 . 4.420 3.935 3.012 4.097 . 0 0 "[ . 1 . 2]" 1
350 1 48 ILE H 1 60 ILE MG 0.000 . 6.000 5.422 4.913 5.940 . 0 0 "[ . 1 . 2]" 1
351 1 46 LEU H 1 60 ILE MG 0.000 . 5.460 4.827 4.481 5.147 . 0 0 "[ . 1 . 2]" 1
352 1 45 GLU QG 1 60 ILE MG 0.000 . 4.340 3.824 3.303 4.354 0.014 16 0 "[ . 1 . 2]" 1
353 1 67 PHE QD 1 120 GLN QG 0.000 . 4.870 3.569 2.883 4.085 . 0 0 "[ . 1 . 2]" 1
354 1 44 TYR QD 1 63 ILE HB 0.000 . 5.260 4.733 4.467 4.900 . 0 0 "[ . 1 . 2]" 1
355 1 63 ILE HB 1 119 ALA MB 0.000 . 6.000 3.905 3.545 4.276 . 0 0 "[ . 1 . 2]" 1
356 1 25 MET QB 1 100 ARG QB 0.000 . 4.220 2.190 2.091 2.295 . 0 0 "[ . 1 . 2]" 1
357 1 63 ILE QG 1 67 PHE HZ 0.000 . 5.500 3.832 3.538 4.273 . 0 0 "[ . 1 . 2]" 1
358 1 63 ILE QG 1 67 PHE QE 0.000 . 4.240 2.646 2.432 2.880 . 0 0 "[ . 1 . 2]" 1
359 1 64 ASN H 1 67 PHE QB 0.000 . 3.260 1.840 1.701 2.117 . 0 0 "[ . 1 . 2]" 1
360 1 20 VAL HB 1 112 PHE QB 0.000 . 4.810 3.102 2.293 3.679 . 0 0 "[ . 1 . 2]" 1
361 1 111 LYS QB 1 112 PHE QB 0.000 . 4.890 3.832 3.789 3.875 . 0 0 "[ . 1 . 2]" 1
362 1 24 GLU QB 1 101 PHE QD 0.000 . 4.500 2.839 2.509 3.404 . 0 0 "[ . 1 . 2]" 1
363 1 107 GLU QB 1 108 HIS HD2 0.000 . 4.480 3.728 3.023 4.079 . 0 0 "[ . 1 . 2]" 1
364 1 24 GLU QG 1 101 PHE QE 0.000 . 4.680 2.903 2.416 4.142 . 0 0 "[ . 1 . 2]" 1
365 1 24 GLU QG 1 101 PHE QD 0.000 . 4.660 3.432 2.989 4.668 0.008 10 0 "[ . 1 . 2]" 1
366 1 24 GLU H 1 24 GLU QG 0.000 . 4.920 3.963 3.939 4.012 . 0 0 "[ . 1 . 2]" 1
367 1 24 GLU QG 1 26 LYS QG 0.000 . 4.160 2.456 2.287 2.584 . 0 0 "[ . 1 . 2]" 1
368 1 81 ILE HA 1 84 ASN HD21 0.000 . 5.180 3.812 2.763 4.897 . 0 0 "[ . 1 . 2]" 1
369 1 81 ILE HA 1 84 ASN HD22 0.000 . 5.180 2.545 1.811 5.156 . 0 0 "[ . 1 . 2]" 1
370 1 41 ASN HA 1 41 ASN HD22 0.000 . 5.160 4.069 3.339 4.676 . 0 0 "[ . 1 . 2]" 1
371 1 40 ARG QG 1 41 ASN HD21 0.000 . 4.560 3.202 2.579 3.781 . 0 0 "[ . 1 . 2]" 1
372 1 40 ARG QG 1 41 ASN HD22 0.000 . 4.560 3.050 2.429 3.545 . 0 0 "[ . 1 . 2]" 1
373 1 114 SER H 1 116 VAL QG 0.000 . 6.000 5.182 5.038 5.254 . 0 0 "[ . 1 . 2]" 1
374 1 114 SER H 1 115 ALA MB 0.000 . 4.880 4.375 4.334 4.407 . 0 0 "[ . 1 . 2]" 1
375 1 113 LEU QB 1 114 SER H 0.000 . 3.330 2.612 2.580 2.704 . 0 0 "[ . 1 . 2]" 1
376 1 114 SER H 1 114 SER QB 0.000 . 3.140 2.383 2.206 2.527 . 0 0 "[ . 1 . 2]" 1
377 1 114 SER H 1 117 LEU QB 0.000 . 5.010 4.568 4.459 4.790 . 0 0 "[ . 1 . 2]" 1
378 1 123 GLN H 1 124 SER H 0.000 . 2.860 2.587 2.515 2.648 . 0 0 "[ . 1 . 2]" 1
379 1 123 GLN HA 1 124 SER H 0.000 . 3.560 3.535 3.515 3.549 . 0 0 "[ . 1 . 2]" 1
380 1 122 ALA MB 1 124 SER H 0.000 . 4.840 4.474 4.328 4.588 . 0 0 "[ . 1 . 2]" 1
381 1 121 LYS QB 1 124 SER H 0.000 . 5.500 5.028 4.832 5.089 . 0 0 "[ . 1 . 2]" 1
382 1 123 GLN QB 1 124 SER H 0.000 . 4.180 2.926 2.526 3.471 . 0 0 "[ . 1 . 2]" 1
383 1 123 GLN QG 1 124 SER H 0.000 . 4.290 3.241 1.894 4.118 . 0 0 "[ . 1 . 2]" 1
384 1 120 GLN HA 1 124 SER H 0.000 . 4.260 3.980 3.667 4.311 0.051 19 0 "[ . 1 . 2]" 1
385 1 124 SER H 1 124 SER QB 0.000 . 2.940 2.516 2.265 2.930 . 0 0 "[ . 1 . 2]" 1
386 1 121 LYS HA 1 124 SER H 0.000 . 3.720 3.629 3.535 3.752 0.032 20 0 "[ . 1 . 2]" 1
387 1 122 ALA H 1 123 GLN H 0.000 . 2.990 2.776 2.709 2.858 . 0 0 "[ . 1 . 2]" 1
388 1 123 GLN H 1 123 GLN HA 0.000 . 2.920 2.851 2.832 2.867 . 0 0 "[ . 1 . 2]" 1
389 1 63 ILE MG 1 123 GLN H 0.000 . 5.850 5.081 4.567 5.436 . 0 0 "[ . 1 . 2]" 1
390 1 119 ALA MB 1 123 GLN H 0.000 . 5.320 4.811 4.373 4.975 . 0 0 "[ . 1 . 2]" 1
391 1 122 ALA MB 1 123 GLN H 0.000 . 3.450 2.467 2.321 2.604 . 0 0 "[ . 1 . 2]" 1
392 1 123 GLN H 1 123 GLN QB 0.000 . 2.920 2.425 2.370 2.492 . 0 0 "[ . 1 . 2]" 1
393 1 123 GLN H 1 123 GLN QG 0.000 . 3.120 2.194 2.047 2.305 . 0 0 "[ . 1 . 2]" 1
394 1 119 ALA HA 1 123 GLN H 0.000 . 4.630 4.283 3.748 4.503 . 0 0 "[ . 1 . 2]" 1
395 1 120 GLN HA 1 123 GLN H 0.000 . 4.000 3.528 3.350 3.750 . 0 0 "[ . 1 . 2]" 1
396 1 123 GLN H 1 124 SER QB 0.000 . 4.630 4.580 4.432 4.705 0.075 1 0 "[ . 1 . 2]" 1
397 1 121 LYS HA 1 123 GLN H 0.000 . 4.650 4.570 4.391 4.743 0.093 7 0 "[ . 1 . 2]" 1
398 1 122 ALA H 1 122 ALA MB 0.000 . 2.900 2.210 2.141 2.241 . 0 0 "[ . 1 . 2]" 1
399 1 121 LYS QD 1 122 ALA H 0.000 . 4.140 4.321 4.266 4.370 0.230 10 0 "[ . 1 . 2]" 1
400 1 119 ALA HA 1 122 ALA H 0.000 . 3.700 3.732 3.595 3.811 0.111 8 0 "[ . 1 . 2]" 1
401 1 121 LYS H 1 122 ALA H 0.000 . 2.840 2.646 2.571 2.702 . 0 0 "[ . 1 . 2]" 1
402 1 120 GLN H 1 122 ALA H 0.000 . 4.190 4.167 4.065 4.229 0.039 12 0 "[ . 1 . 2]" 1
403 1 120 GLN QB 1 122 ALA H 0.000 . 4.880 4.758 4.615 4.821 . 0 0 "[ . 1 . 2]" 1
404 1 121 LYS QE 1 122 ALA H 0.000 . 5.830 5.621 5.159 5.912 0.082 18 0 "[ . 1 . 2]" 1
405 1 120 GLN HA 1 122 ALA H 0.000 . 4.400 4.451 4.377 4.529 0.129 20 0 "[ . 1 . 2]" 1
406 1 118 ALA HA 1 122 ALA H 0.000 . 4.010 3.787 3.559 4.048 0.038 10 0 "[ . 1 . 2]" 1
407 1 121 LYS HA 1 122 ALA H 0.000 . 3.560 3.535 3.503 3.550 . 0 0 "[ . 1 . 2]" 1
408 1 122 ALA H 1 123 GLN HA 0.000 . 5.470 5.369 5.317 5.428 . 0 0 "[ . 1 . 2]" 1
409 1 118 ALA MB 1 122 ALA H 0.000 . 5.110 4.395 4.241 4.611 . 0 0 "[ . 1 . 2]" 1
410 1 120 GLN H 1 121 LYS H 0.000 . 3.180 2.607 2.544 2.717 . 0 0 "[ . 1 . 2]" 1
411 1 65 SER QB 1 66 HIS H 0.000 . 3.930 2.942 2.536 3.634 . 0 0 "[ . 1 . 2]" 1
412 1 119 ALA HA 1 121 LYS H 0.000 . 5.050 4.546 4.492 4.645 . 0 0 "[ . 1 . 2]" 1
413 1 120 GLN QG 1 121 LYS H 0.000 . 5.100 4.197 4.120 4.305 . 0 0 "[ . 1 . 2]" 1
414 1 64 ASN QB 1 66 HIS H 0.000 . 4.000 3.254 2.686 3.613 . 0 0 "[ . 1 . 2]" 1
415 1 63 ILE MG 1 121 LYS H 0.000 . 6.000 5.426 5.171 5.629 . 0 0 "[ . 1 . 2]" 1
416 1 119 ALA MB 1 121 LYS H 0.000 . 5.480 4.456 4.354 4.655 . 0 0 "[ . 1 . 2]" 1
417 1 121 LYS H 1 121 LYS QD 0.000 . 4.300 4.123 3.471 4.506 0.206 9 0 "[ . 1 . 2]" 1
418 1 121 LYS H 1 121 LYS QB 0.000 . 2.980 2.251 2.191 2.414 . 0 0 "[ . 1 . 2]" 1
419 1 121 LYS H 1 121 LYS QE 0.000 . 5.810 5.270 4.105 5.988 0.178 4 0 "[ . 1 . 2]" 1
420 1 120 GLN QB 1 121 LYS H 0.000 . 3.580 2.656 2.501 2.725 . 0 0 "[ . 1 . 2]" 1
421 1 118 ALA H 1 120 GLN H 0.000 . 4.370 4.355 4.206 4.406 0.036 19 0 "[ . 1 . 2]" 1
422 1 63 ILE MD 1 120 GLN H 0.000 . 5.380 4.325 4.098 4.752 . 0 0 "[ . 1 . 2]" 1
423 1 63 ILE MG 1 120 GLN H 0.000 . 4.500 3.684 3.388 3.897 . 0 0 "[ . 1 . 2]" 1
424 1 119 ALA MB 1 120 GLN H 0.000 . 3.620 2.439 2.341 2.631 . 0 0 "[ . 1 . 2]" 1
425 1 116 VAL QG 1 120 GLN H 0.000 . 4.480 3.908 3.632 4.208 . 0 0 "[ . 1 . 2]" 1
426 1 120 GLN H 1 122 ALA MB 0.000 . 5.180 4.871 4.711 5.000 . 0 0 "[ . 1 . 2]" 1
427 1 117 LEU HG 1 120 GLN H 0.000 . 5.500 5.379 4.970 5.521 0.021 8 0 "[ . 1 . 2]" 1
428 1 120 GLN H 1 121 LYS QB 0.000 . 4.840 4.365 4.237 4.637 . 0 0 "[ . 1 . 2]" 1
429 1 120 GLN H 1 120 GLN QG 0.000 . 3.190 2.433 2.274 2.614 . 0 0 "[ . 1 . 2]" 1
430 1 116 VAL HA 1 120 GLN H 0.000 . 4.460 4.251 4.084 4.537 0.077 19 0 "[ . 1 . 2]" 1
431 1 118 ALA HA 1 120 GLN H 0.000 . 4.610 4.548 4.246 4.683 0.073 4 0 "[ . 1 . 2]" 1
432 1 117 LEU HA 1 120 GLN H 0.000 . 3.770 3.578 3.452 3.672 . 0 0 "[ . 1 . 2]" 1
433 1 68 ARG HA 1 120 GLN HE21 0.000 . 4.790 3.001 2.430 4.104 . 0 0 "[ . 1 . 2]" 1
434 1 68 ARG HA 1 120 GLN HE22 0.000 . 4.790 2.199 1.786 3.441 . 0 0 "[ . 1 . 2]" 1
435 1 120 GLN QB 1 120 GLN HE21 0.000 . 4.280 3.551 3.354 4.064 . 0 0 "[ . 1 . 2]" 1
436 1 120 GLN QB 1 120 GLN HE22 0.000 . 4.280 3.949 3.833 4.298 0.018 4 0 "[ . 1 . 2]" 1
437 1 116 VAL QG 1 120 GLN HE21 0.000 . 5.370 4.581 4.053 4.806 . 0 0 "[ . 1 . 2]" 1
438 1 116 VAL QG 1 120 GLN HE22 0.000 . 5.370 4.533 4.173 5.374 0.004 18 0 "[ . 1 . 2]" 1
439 1 118 ALA H 1 119 ALA H 0.000 . 3.070 2.663 2.620 2.712 . 0 0 "[ . 1 . 2]" 1
440 1 119 ALA H 1 120 GLN H 0.000 . 3.100 2.737 2.651 2.777 . 0 0 "[ . 1 . 2]" 1
441 1 117 LEU H 1 119 ALA H 0.000 . 4.380 4.044 3.921 4.136 . 0 0 "[ . 1 . 2]" 1
442 1 118 ALA HA 1 119 ALA H 0.000 . 3.550 3.530 3.493 3.542 . 0 0 "[ . 1 . 2]" 1
443 1 116 VAL HA 1 119 ALA H 0.000 . 3.730 3.416 3.341 3.518 . 0 0 "[ . 1 . 2]" 1
444 1 119 ALA H 1 120 GLN HA 0.000 . 5.350 5.333 5.276 5.360 0.010 3 0 "[ . 1 . 2]" 1
445 1 119 ALA H 1 120 GLN QG 0.000 . 4.820 4.637 4.394 4.800 . 0 0 "[ . 1 . 2]" 1
446 1 119 ALA H 1 120 GLN QB 0.000 . 5.090 4.671 4.532 4.719 . 0 0 "[ . 1 . 2]" 1
447 1 116 VAL HB 1 119 ALA H 0.000 . 5.470 5.467 5.370 5.500 0.030 11 0 "[ . 1 . 2]" 1
448 1 119 ALA H 1 122 ALA MB 0.000 . 4.990 4.730 4.442 4.951 . 0 0 "[ . 1 . 2]" 1
449 1 118 ALA MB 1 119 ALA H 0.000 . 3.390 2.611 2.549 2.752 . 0 0 "[ . 1 . 2]" 1
450 1 116 VAL QG 1 119 ALA H 0.000 . 5.540 4.240 4.167 4.320 . 0 0 "[ . 1 . 2]" 1
451 1 119 ALA H 1 119 ALA MB 0.000 . 3.120 2.217 2.183 2.240 . 0 0 "[ . 1 . 2]" 1
452 1 63 ILE MD 1 119 ALA H 0.000 . 5.640 4.857 4.603 5.109 . 0 0 "[ . 1 . 2]" 1
453 1 118 ALA H 1 121 LYS H 0.000 . 5.140 4.733 4.605 5.067 . 0 0 "[ . 1 . 2]" 1
454 1 117 LEU H 1 118 ALA H 0.000 . 3.090 2.706 2.672 2.738 . 0 0 "[ . 1 . 2]" 1
455 1 29 LEU H 1 30 ARG H 0.000 . 4.490 4.385 4.364 4.398 . 0 0 "[ . 1 . 2]" 1
456 1 116 VAL QG 1 118 ALA H 0.000 . 6.000 4.615 4.561 4.674 . 0 0 "[ . 1 . 2]" 1
457 1 118 ALA H 1 119 ALA MB 0.000 . 4.920 4.327 4.274 4.397 . 0 0 "[ . 1 . 2]" 1
458 1 26 LYS QG 1 29 LEU H 0.000 . 4.860 4.869 4.812 4.904 0.044 8 0 "[ . 1 . 2]" 1
459 1 118 ALA H 1 118 ALA MB 0.000 . 3.140 2.219 2.189 2.234 . 0 0 "[ . 1 . 2]" 1
460 1 29 LEU H 1 29 LEU HG 0.000 . 2.920 2.868 2.791 2.920 . 0 0 "[ . 1 . 2]" 1
461 1 28 PRO QB 1 29 LEU H 0.000 . 3.470 3.228 3.201 3.248 . 0 0 "[ . 1 . 2]" 1
462 1 118 ALA H 1 119 ALA HA 0.000 . 5.330 5.269 5.217 5.317 . 0 0 "[ . 1 . 2]" 1
463 1 27 GLY QA 1 29 LEU H 0.000 . 4.600 4.065 4.035 4.125 . 0 0 "[ . 1 . 2]" 1
464 1 28 PRO QD 1 29 LEU H 0.000 . 3.010 2.936 2.849 2.993 . 0 0 "[ . 1 . 2]" 1
465 1 114 SER HA 1 118 ALA H 0.000 . 4.020 3.900 3.593 4.044 0.024 12 0 "[ . 1 . 2]" 1
466 1 29 LEU H 1 30 ARG HA 0.000 . 5.180 4.621 4.602 4.667 . 0 0 "[ . 1 . 2]" 1
467 1 116 VAL H 1 117 LEU H 0.000 . 3.320 2.697 2.645 2.734 . 0 0 "[ . 1 . 2]" 1
468 1 116 VAL H 1 118 ALA H 0.000 . 4.400 4.211 4.124 4.281 . 0 0 "[ . 1 . 2]" 1
469 1 113 LEU HA 1 117 LEU H 0.000 . 4.330 3.553 3.456 3.732 . 0 0 "[ . 1 . 2]" 1
470 1 116 VAL QG 1 117 LEU H 0.000 . 3.880 3.093 3.005 3.156 . 0 0 "[ . 1 . 2]" 1
471 1 116 VAL H 1 119 ALA MB 0.000 . 5.210 4.673 4.443 4.894 . 0 0 "[ . 1 . 2]" 1
472 1 117 LEU H 1 119 ALA MB 0.000 . 5.240 4.705 4.549 4.859 . 0 0 "[ . 1 . 2]" 1
473 1 115 ALA MB 1 116 VAL H 0.000 . 3.640 2.414 2.344 2.532 . 0 0 "[ . 1 . 2]" 1
474 1 117 LEU H 1 118 ALA MB 0.000 . 5.270 4.344 4.311 4.379 . 0 0 "[ . 1 . 2]" 1
475 1 18 ALA MB 1 116 VAL H 0.000 . 4.600 4.646 4.455 4.704 0.104 10 0 "[ . 1 . 2]" 1
476 1 117 LEU H 1 117 LEU QB 0.000 . 3.070 2.237 2.222 2.244 . 0 0 "[ . 1 . 2]" 1
477 1 116 VAL H 1 116 VAL HB 0.000 . 3.050 2.401 2.364 2.431 . 0 0 "[ . 1 . 2]" 1
478 1 116 VAL HB 1 117 LEU H 0.000 . 3.370 2.593 2.541 2.649 . 0 0 "[ . 1 . 2]" 1
479 1 114 SER H 1 115 ALA H 0.000 . 3.010 2.725 2.703 2.744 . 0 0 "[ . 1 . 2]" 1
480 1 115 ALA H 1 116 VAL H 0.000 . 3.030 2.720 2.647 2.784 . 0 0 "[ . 1 . 2]" 1
481 1 115 ALA H 1 117 LEU H 0.000 . 4.380 4.145 4.072 4.220 . 0 0 "[ . 1 . 2]" 1
482 1 113 LEU H 1 115 ALA H 0.000 . 4.310 4.277 4.241 4.313 0.003 20 0 "[ . 1 . 2]" 1
483 1 115 ALA H 1 118 ALA H 0.000 . 4.860 4.713 4.636 4.795 . 0 0 "[ . 1 . 2]" 1
484 1 113 LEU H 1 114 SER H 0.000 . 3.370 2.665 2.634 2.701 . 0 0 "[ . 1 . 2]" 1
485 1 112 PHE H 1 113 LEU H 0.000 . 3.450 2.790 2.753 2.844 . 0 0 "[ . 1 . 2]" 1
486 1 114 SER HA 1 115 ALA H 0.000 . 3.550 3.557 3.550 3.563 0.013 2 0 "[ . 1 . 2]" 1
487 1 112 PHE HA 1 115 ALA H 0.000 . 3.850 3.821 3.746 3.875 0.025 19 0 "[ . 1 . 2]" 1
488 1 113 LEU HA 1 115 ALA H 0.000 . 4.790 4.556 4.473 4.655 . 0 0 "[ . 1 . 2]" 1
489 1 115 ALA H 1 116 VAL QG 0.000 . 5.160 4.248 4.138 4.296 . 0 0 "[ . 1 . 2]" 1
490 1 115 ALA H 1 115 ALA MB 0.000 . 3.170 2.148 2.115 2.170 . 0 0 "[ . 1 . 2]" 1
491 1 18 ALA MB 1 115 ALA H 0.000 . 4.700 4.255 3.992 4.428 . 0 0 "[ . 1 . 2]" 1
492 1 113 LEU QB 1 115 ALA H 0.000 . 5.500 4.815 4.762 4.871 . 0 0 "[ . 1 . 2]" 1
493 1 115 ALA H 1 117 LEU QB 0.000 . 5.400 4.819 4.681 4.951 . 0 0 "[ . 1 . 2]" 1
494 1 113 LEU H 1 116 VAL QG 0.000 . 5.870 4.724 4.560 4.836 . 0 0 "[ . 1 . 2]" 1
495 1 103 ILE MD 1 113 LEU H 0.000 . 6.000 5.655 4.950 6.075 0.075 14 0 "[ . 1 . 2]" 1
496 1 26 LYS QG 1 27 GLY H 0.000 . 4.500 3.838 3.774 3.884 . 0 0 "[ . 1 . 2]" 1
497 1 26 LYS QB 1 27 GLY H 0.000 . 3.600 2.703 2.622 2.823 . 0 0 "[ . 1 . 2]" 1
498 1 112 PHE QB 1 113 LEU H 0.000 . 3.790 2.451 2.391 2.492 . 0 0 "[ . 1 . 2]" 1
499 1 27 GLY H 1 28 PRO QD 0.000 . 3.580 2.515 2.466 2.537 . 0 0 "[ . 1 . 2]" 1
500 1 110 LEU HA 1 113 LEU H 0.000 . 3.580 3.731 3.596 3.787 0.207 14 0 "[ . 1 . 2]" 1
501 1 12 VAL H 1 13 GLY H 0.000 . 3.700 2.683 2.419 3.736 0.036 11 0 "[ . 1 . 2]" 1
502 1 103 ILE MD 1 112 PHE H 0.000 . 6.000 5.811 4.997 6.113 0.113 17 0 "[ . 1 . 2]" 1
503 1 18 ALA MB 1 112 PHE H 0.000 . 5.010 4.286 3.890 4.741 . 0 0 "[ . 1 . 2]" 1
504 1 112 PHE H 1 112 PHE QB 0.000 . 3.360 2.182 2.163 2.201 . 0 0 "[ . 1 . 2]" 1
505 1 93 GLY H 1 96 ILE MD 0.000 . 4.460 3.956 3.255 4.505 0.045 8 0 "[ . 1 . 2]" 1
506 1 93 GLY H 1 96 ILE MG 0.000 . 5.690 5.371 5.023 5.786 0.096 16 0 "[ . 1 . 2]" 1
507 1 92 GLN QB 1 93 GLY H 0.000 . 4.000 2.980 2.397 3.693 . 0 0 "[ . 1 . 2]" 1
508 1 92 GLN QG 1 93 GLY H 0.000 . 4.070 3.523 2.024 4.278 0.208 20 0 "[ . 1 . 2]" 1
509 1 111 LYS H 1 112 PHE H 0.000 . 3.520 2.617 2.579 2.704 . 0 0 "[ . 1 . 2]" 1
510 1 110 LEU H 1 111 LYS H 0.000 . 3.540 2.745 2.695 2.796 . 0 0 "[ . 1 . 2]" 1
511 1 109 CYS H 1 111 LYS H 0.000 . 4.440 4.402 4.104 4.497 0.057 12 0 "[ . 1 . 2]" 1
512 1 111 LYS H 1 113 LEU H 0.000 . 4.450 4.274 4.226 4.354 . 0 0 "[ . 1 . 2]" 1
513 1 108 HIS HA 1 111 LYS H 0.000 . 4.010 3.542 3.458 3.663 . 0 0 "[ . 1 . 2]" 1
514 1 111 LYS H 1 112 PHE QB 0.000 . 5.060 4.275 4.226 4.382 . 0 0 "[ . 1 . 2]" 1
515 1 111 LYS H 1 111 LYS QB 0.000 . 3.290 2.397 2.319 2.539 . 0 0 "[ . 1 . 2]" 1
516 1 110 LEU QD 1 111 LYS H 0.000 . 4.260 3.848 2.394 4.028 . 0 0 "[ . 1 . 2]" 1
517 1 110 LEU H 1 110 LEU HG 0.000 . 2.900 2.129 1.865 2.236 . 0 0 "[ . 1 . 2]" 1
518 1 106 GLU QG 1 110 LEU H 0.000 . 4.450 4.097 3.815 4.188 . 0 0 "[ . 1 . 2]" 1
519 1 108 HIS QB 1 110 LEU H 0.000 . 5.500 4.702 4.610 5.043 . 0 0 "[ . 1 . 2]" 1
520 1 109 CYS QB 1 110 LEU H 0.000 . 3.590 2.692 2.297 2.814 . 0 0 "[ . 1 . 2]" 1
521 1 106 GLU HA 1 110 LEU H 0.000 . 4.160 4.147 3.878 4.220 0.060 12 0 "[ . 1 . 2]" 1
522 1 109 CYS H 1 110 LEU H 0.000 . 3.430 2.731 2.617 2.979 . 0 0 "[ . 1 . 2]" 1
523 1 103 ILE MD 1 109 CYS H 0.000 . 5.880 5.415 4.747 5.758 . 0 0 "[ . 1 . 2]" 1
524 1 103 ILE MG 1 109 CYS H 0.000 . 4.120 2.958 2.589 3.145 . 0 0 "[ . 1 . 2]" 1
525 1 109 CYS H 1 110 LEU HG 0.000 . 4.190 4.263 3.993 4.324 0.134 5 0 "[ . 1 . 2]" 1
526 1 106 GLU QG 1 109 CYS H 0.000 . 5.350 4.597 4.514 4.746 . 0 0 "[ . 1 . 2]" 1
527 1 105 ASP QB 1 109 CYS H 0.000 . 4.370 3.615 3.543 3.804 . 0 0 "[ . 1 . 2]" 1
528 1 108 HIS QB 1 109 CYS H 0.000 . 3.490 2.633 2.558 2.714 . 0 0 "[ . 1 . 2]" 1
529 1 109 CYS H 1 109 CYS QB 0.000 . 3.110 2.152 2.103 2.241 . 0 0 "[ . 1 . 2]" 1
530 1 106 GLU HA 1 109 CYS H 0.000 . 3.760 3.283 3.202 3.400 . 0 0 "[ . 1 . 2]" 1
531 1 107 GLU H 1 108 HIS H 0.000 . 3.070 2.836 2.717 2.909 . 0 0 "[ . 1 . 2]" 1
532 1 108 HIS H 1 109 CYS H 0.000 . 3.340 2.539 2.436 2.574 . 0 0 "[ . 1 . 2]" 1
533 1 106 GLU H 1 108 HIS H 0.000 . 4.630 4.270 4.175 4.357 . 0 0 "[ . 1 . 2]" 1
534 1 106 GLU HA 1 108 HIS H 0.000 . 4.660 4.431 4.321 4.471 . 0 0 "[ . 1 . 2]" 1
535 1 108 HIS H 1 108 HIS QB 0.000 . 3.310 2.321 2.282 2.364 . 0 0 "[ . 1 . 2]" 1
536 1 105 ASP QB 1 108 HIS H 0.000 . 4.040 2.659 2.535 3.292 . 0 0 "[ . 1 . 2]" 1
537 1 107 GLU H 1 109 CYS H 0.000 . 4.690 4.098 4.015 4.155 . 0 0 "[ . 1 . 2]" 1
538 1 107 GLU H 1 108 HIS HA 0.000 . 5.500 5.430 5.335 5.484 . 0 0 "[ . 1 . 2]" 1
539 1 107 GLU H 1 108 HIS QB 0.000 . 5.290 4.759 4.655 4.828 . 0 0 "[ . 1 . 2]" 1
540 1 106 GLU QB 1 107 GLU H 0.000 . 2.880 2.301 2.248 2.385 . 0 0 "[ . 1 . 2]" 1
541 1 107 GLU H 1 110 LEU QD 0.000 . 4.700 4.330 3.805 4.528 . 0 0 "[ . 1 . 2]" 1
542 1 107 GLU H 1 110 LEU HG 0.000 . 4.750 4.821 4.775 5.002 0.252 19 0 "[ . 1 . 2]" 1
543 1 105 ASP H 1 106 GLU H 0.000 . 4.520 4.257 4.194 4.391 . 0 0 "[ . 1 . 2]" 1
544 1 106 GLU H 1 107 GLU H 0.000 . 3.580 2.917 2.847 2.958 . 0 0 "[ . 1 . 2]" 1
545 1 105 ASP HA 1 106 GLU H 0.000 . 3.000 2.147 2.111 2.179 . 0 0 "[ . 1 . 2]" 1
546 1 86 GLY QA 1 106 GLU H 0.000 . 4.960 4.999 4.805 5.038 0.078 13 0 "[ . 1 . 2]" 1
547 1 106 GLU H 1 108 HIS QB 0.000 . 5.000 5.068 5.033 5.160 0.160 5 0 "[ . 1 . 2]" 1
548 1 105 ASP QB 1 106 GLU H 0.000 . 3.980 3.599 3.370 3.917 . 0 0 "[ . 1 . 2]" 1
549 1 106 GLU H 1 106 GLU QG 0.000 . 4.120 3.941 3.932 3.951 . 0 0 "[ . 1 . 2]" 1
550 1 106 GLU H 1 106 GLU QB 0.000 . 3.110 2.231 2.222 2.241 . 0 0 "[ . 1 . 2]" 1
551 1 87 CYS H 1 105 ASP H 0.000 . 5.430 5.416 5.321 5.474 0.044 20 0 "[ . 1 . 2]" 1
552 1 86 GLY H 1 105 ASP H 0.000 . 5.500 5.242 5.008 5.501 0.001 8 0 "[ . 1 . 2]" 1
553 1 105 ASP H 1 108 HIS H 0.000 . 5.500 5.355 4.910 5.502 0.002 8 0 "[ . 1 . 2]" 1
554 1 86 GLY QA 1 105 ASP H 0.000 . 4.520 4.517 4.383 4.562 0.042 9 0 "[ . 1 . 2]" 1
555 1 104 PRO QD 1 105 ASP H 0.000 . 3.730 2.686 2.567 2.752 . 0 0 "[ . 1 . 2]" 1
556 1 22 GLY QA 1 105 ASP H 0.000 . 5.500 4.781 4.435 5.248 . 0 0 "[ . 1 . 2]" 1
557 1 105 ASP H 1 108 HIS QB 0.000 . 4.440 4.078 3.517 4.219 . 0 0 "[ . 1 . 2]" 1
558 1 105 ASP H 1 105 ASP QB 0.000 . 3.480 2.303 2.285 2.348 . 0 0 "[ . 1 . 2]" 1
559 1 103 ILE MG 1 105 ASP H 0.000 . 3.840 2.380 2.125 2.601 . 0 0 "[ . 1 . 2]" 1
560 1 103 ILE MD 1 105 ASP H 0.000 . 5.490 4.978 4.390 5.559 0.069 19 0 "[ . 1 . 2]" 1
561 1 102 GLU H 1 103 ILE H 0.000 . 4.650 4.310 4.077 4.403 . 0 0 "[ . 1 . 2]" 1
562 1 88 LYS HA 1 103 ILE H 0.000 . 3.920 3.564 3.173 3.880 . 0 0 "[ . 1 . 2]" 1
563 1 102 GLU HA 1 103 ILE H 0.000 . 3.090 2.197 2.134 2.284 . 0 0 "[ . 1 . 2]" 1
564 1 103 ILE H 1 104 PRO QD 0.000 . 4.120 3.756 3.552 3.997 . 0 0 "[ . 1 . 2]" 1
565 1 86 GLY QA 1 103 ILE H 0.000 . 5.110 4.158 3.851 4.548 . 0 0 "[ . 1 . 2]" 1
566 1 87 CYS QB 1 103 ILE H 0.000 . 5.320 4.137 3.774 4.709 . 0 0 "[ . 1 . 2]" 1
567 1 103 ILE H 1 103 ILE HB 0.000 . 3.560 2.660 2.402 2.799 . 0 0 "[ . 1 . 2]" 1
568 1 102 GLU QG 1 103 ILE H 0.000 . 3.280 2.452 2.112 2.944 . 0 0 "[ . 1 . 2]" 1
569 1 102 GLU QB 1 103 ILE H 0.000 . 3.880 3.638 3.462 3.861 . 0 0 "[ . 1 . 2]" 1
570 1 103 ILE H 1 103 ILE QG 0.000 . 3.950 2.931 2.210 3.570 . 0 0 "[ . 1 . 2]" 1
571 1 103 ILE H 1 103 ILE MD 0.000 . 4.560 3.176 1.831 4.070 . 0 0 "[ . 1 . 2]" 1
572 1 103 ILE H 1 103 ILE MG 0.000 . 4.520 3.852 3.726 3.922 . 0 0 "[ . 1 . 2]" 1
573 1 89 ILE MG 1 103 ILE H 0.000 . 5.470 5.084 4.171 5.499 0.029 12 0 "[ . 1 . 2]" 1
574 1 23 MET H 1 102 GLU H 0.000 . 3.800 2.543 2.365 2.815 . 0 0 "[ . 1 . 2]" 1
575 1 101 PHE HA 1 102 GLU H 0.000 . 3.320 2.305 2.262 2.373 . 0 0 "[ . 1 . 2]" 1
576 1 25 MET H 1 102 GLU H 0.000 . 4.670 4.631 4.294 4.759 0.089 18 0 "[ . 1 . 2]" 1
577 1 24 GLU HA 1 102 GLU H 0.000 . 4.030 3.779 3.390 3.992 . 0 0 "[ . 1 . 2]" 1
578 1 101 PHE QB 1 102 GLU H 0.000 . 3.920 2.671 2.485 2.819 . 0 0 "[ . 1 . 2]" 1
579 1 25 MET QG 1 102 GLU H 0.000 . 4.720 4.374 3.852 4.743 0.023 6 0 "[ . 1 . 2]" 1
580 1 102 GLU H 1 102 GLU QB 0.000 . 3.470 2.662 2.597 2.721 . 0 0 "[ . 1 . 2]" 1
581 1 23 MET QB 1 102 GLU H 0.000 . 4.220 3.730 3.377 4.097 . 0 0 "[ . 1 . 2]" 1
582 1 102 GLU H 1 103 ILE QG 0.000 . 4.700 4.203 3.814 4.676 . 0 0 "[ . 1 . 2]" 1
583 1 89 ILE MD 1 102 GLU H 0.000 . 6.000 5.482 5.087 6.038 0.038 10 0 "[ . 1 . 2]" 1
584 1 102 GLU H 1 103 ILE MD 0.000 . 5.280 4.073 3.299 5.050 . 0 0 "[ . 1 . 2]" 1
585 1 101 PHE H 1 102 GLU H 0.000 . 4.640 4.414 4.378 4.470 . 0 0 "[ . 1 . 2]" 1
586 1 100 ARG HA 1 101 PHE H 0.000 . 3.230 2.244 2.173 2.329 . 0 0 "[ . 1 . 2]" 1
587 1 101 PHE H 1 101 PHE QB 0.000 . 3.840 2.707 2.602 2.789 . 0 0 "[ . 1 . 2]" 1
588 1 90 ARG QD 1 101 PHE H 0.000 . 5.500 5.139 3.398 5.657 0.157 6 0 "[ . 1 . 2]" 1
589 1 100 ARG QD 1 101 PHE H 0.000 . 5.500 5.088 4.659 5.427 . 0 0 "[ . 1 . 2]" 1
590 1 25 MET QG 1 101 PHE H 0.000 . 5.500 5.305 4.810 5.586 0.086 6 0 "[ . 1 . 2]" 1
591 1 101 PHE H 1 102 GLU QB 0.000 . 4.700 4.747 4.589 4.880 0.180 18 0 "[ . 1 . 2]" 1
592 1 100 ARG QB 1 101 PHE H 0.000 . 3.550 2.758 2.548 2.960 . 0 0 "[ . 1 . 2]" 1
593 1 88 LYS QB 1 101 PHE H 0.000 . 4.250 4.330 3.844 4.462 0.212 20 0 "[ . 1 . 2]" 1
594 1 25 MET ME 1 101 PHE H 0.000 . 4.600 3.372 2.709 3.957 . 0 0 "[ . 1 . 2]" 1
595 1 100 ARG QG 1 101 PHE H 0.000 . 4.480 3.841 3.705 3.970 . 0 0 "[ . 1 . 2]" 1
596 1 89 ILE MG 1 101 PHE H 0.000 . 5.710 5.418 5.094 5.764 0.054 12 0 "[ . 1 . 2]" 1
597 1 89 ILE MD 1 101 PHE H 0.000 . 5.040 4.438 3.620 5.059 0.019 18 0 "[ . 1 . 2]" 1
598 1 23 MET HA 1 33 CYS H 0.000 . 3.550 2.372 1.938 2.681 . 0 0 "[ . 1 . 2]" 1
599 1 23 MET H 1 33 CYS H 0.000 . 4.660 4.524 4.209 4.736 0.076 14 0 "[ . 1 . 2]" 1
600 1 32 PRO HA 1 33 CYS H 0.000 . 3.050 2.230 2.210 2.258 . 0 0 "[ . 1 . 2]" 1
601 1 33 CYS H 1 50 LEU HA 0.000 . 5.500 5.122 4.903 5.418 . 0 0 "[ . 1 . 2]" 1
602 1 32 PRO QB 1 33 CYS H 0.000 . 3.760 3.089 3.036 3.172 . 0 0 "[ . 1 . 2]" 1
603 1 23 MET ME 1 33 CYS H 0.000 . 4.650 4.297 3.754 4.780 0.130 9 0 "[ . 1 . 2]" 1
604 1 23 MET QB 1 33 CYS H 0.000 . 4.810 4.349 3.960 4.628 . 0 0 "[ . 1 . 2]" 1
605 1 23 MET HA 1 24 GLU H 0.000 . 3.360 2.152 2.125 2.189 . 0 0 "[ . 1 . 2]" 1
606 1 24 GLU H 1 33 CYS QB 0.000 . 4.840 2.793 2.519 3.095 . 0 0 "[ . 1 . 2]" 1
607 1 24 GLU H 1 33 CYS H 0.000 . 4.440 3.195 3.024 3.367 . 0 0 "[ . 1 . 2]" 1
608 1 24 GLU H 1 31 GLU H 0.000 . 4.030 3.689 3.384 4.071 0.041 5 0 "[ . 1 . 2]" 1
609 1 24 GLU H 1 25 MET H 0.000 . 4.610 4.481 4.398 4.594 . 0 0 "[ . 1 . 2]" 1
610 1 23 MET QG 1 24 GLU H 0.000 . 4.800 4.461 4.025 4.821 0.021 14 0 "[ . 1 . 2]" 1
611 1 24 GLU H 1 32 PRO QB 0.000 . 5.500 4.983 4.827 5.415 . 0 0 "[ . 1 . 2]" 1
612 1 23 MET QB 1 24 GLU H 0.000 . 3.940 3.352 3.128 3.667 . 0 0 "[ . 1 . 2]" 1
613 1 79 ILE H 1 79 ILE HB 0.000 . 3.040 2.575 2.466 2.676 . 0 0 "[ . 1 . 2]" 1
614 1 79 ILE H 1 79 ILE MD 0.000 . 4.840 3.598 3.046 3.851 . 0 0 "[ . 1 . 2]" 1
615 1 79 ILE H 1 79 ILE QG 0.000 . 3.340 2.550 2.248 2.759 . 0 0 "[ . 1 . 2]" 1
616 1 78 LEU H 1 79 ILE H 0.000 . 3.170 2.572 2.088 2.702 . 0 0 "[ . 1 . 2]" 1
617 1 77 LEU H 1 78 LEU H 0.000 . 3.120 2.660 2.136 2.922 . 0 0 "[ . 1 . 2]" 1
618 1 76 THR H 1 77 LEU H 0.000 . 3.200 2.997 2.366 3.303 0.103 3 0 "[ . 1 . 2]" 1
619 1 76 THR HA 1 77 LEU H 0.000 . 3.380 2.751 2.316 3.457 0.077 19 0 "[ . 1 . 2]" 1
620 1 77 LEU H 1 77 LEU QD 0.000 . 3.910 2.591 1.680 3.120 . 0 0 "[ . 1 . 2]" 1
621 1 76 THR MG 1 77 LEU H 0.000 . 4.260 3.984 3.603 4.248 . 0 0 "[ . 1 . 2]" 1
622 1 77 LEU H 1 77 LEU HG 0.000 . 2.830 2.185 1.863 2.958 0.128 11 0 "[ . 1 . 2]" 1
623 1 75 GLU QG 1 77 LEU H 0.000 . 5.110 3.848 1.724 5.207 0.097 12 0 "[ . 1 . 2]" 1
624 1 78 LEU QB 1 79 ILE H 0.000 . 3.140 2.726 2.568 3.207 0.067 14 0 "[ . 1 . 2]" 1
625 1 78 LEU H 1 79 ILE HA 0.000 . 5.070 5.204 4.779 5.307 0.237 5 0 "[ . 1 . 2]" 1
626 1 76 THR MG 1 78 LEU H 0.000 . 5.650 4.580 2.922 5.729 0.079 12 0 "[ . 1 . 2]" 1
627 1 75 GLU H 1 76 THR H 0.000 . 3.560 2.967 1.625 3.565 0.005 15 0 "[ . 1 . 2]" 1
628 1 75 GLU HA 1 76 THR H 0.000 . 3.220 2.889 2.243 3.497 0.277 19 0 "[ . 1 . 2]" 1
629 1 76 THR H 1 76 THR HB 0.000 . 3.400 3.264 2.698 3.710 0.310 19 0 "[ . 1 . 2]" 1
630 1 75 GLU QB 1 76 THR H 0.000 . 4.130 3.304 1.742 4.050 . 0 0 "[ . 1 . 2]" 1
631 1 75 GLU QG 1 76 THR H 0.000 . 3.730 3.266 1.808 3.791 0.061 10 0 "[ . 1 . 2]" 1
632 1 76 THR H 1 76 THR MG 0.000 . 3.890 3.243 1.775 3.987 0.097 8 0 "[ . 1 . 2]" 1
633 1 73 ALA MB 1 76 THR H 0.000 . 5.010 3.401 2.576 4.225 . 0 0 "[ . 1 . 2]" 1
634 1 76 THR H 1 77 LEU HG 0.000 . 4.560 3.977 3.007 4.616 0.056 19 0 "[ . 1 . 2]" 1
635 1 73 ALA HA 1 75 GLU H 0.000 . 4.460 4.171 2.867 4.469 0.009 18 0 "[ . 1 . 2]" 1
636 1 73 ALA HA 1 74 GLU H 0.000 . 2.810 2.556 2.231 2.863 0.053 8 0 "[ . 1 . 2]" 1
637 1 74 GLU H 1 75 GLU H 0.000 . 3.440 2.311 1.771 2.799 . 0 0 "[ . 1 . 2]" 1
638 1 74 GLU H 1 76 THR H 0.000 . 5.010 4.755 3.688 5.084 0.074 11 0 "[ . 1 . 2]" 1
639 1 34 ALA H 1 49 GLN H 0.000 . 3.950 3.078 2.750 3.238 . 0 0 "[ . 1 . 2]" 1
640 1 33 CYS HA 1 34 ALA H 0.000 . 3.480 2.593 2.450 2.693 . 0 0 "[ . 1 . 2]" 1
641 1 74 GLU H 1 74 GLU QG 0.000 . 3.170 2.423 1.843 3.051 . 0 0 "[ . 1 . 2]" 1
642 1 74 GLU QG 1 75 GLU H 0.000 . 4.390 3.840 2.033 4.396 0.006 15 0 "[ . 1 . 2]" 1
643 1 75 GLU H 1 75 GLU QG 0.000 . 4.690 3.404 1.977 4.280 . 0 0 "[ . 1 . 2]" 1
644 1 74 GLU H 1 74 GLU QB 0.000 . 3.170 2.521 2.344 3.265 0.095 12 0 "[ . 1 . 2]" 1
645 1 34 ALA H 1 49 GLN QB 0.000 . 3.210 3.124 2.711 3.266 0.056 1 0 "[ . 1 . 2]" 1
646 1 74 GLU QB 1 75 GLU H 0.000 . 3.820 3.173 2.480 3.724 . 0 0 "[ . 1 . 2]" 1
647 1 73 ALA MB 1 74 GLU H 0.000 . 3.570 2.161 1.774 2.706 . 0 0 "[ . 1 . 2]" 1
648 1 33 CYS QB 1 34 ALA H 0.000 . 3.620 2.238 2.062 3.225 . 0 0 "[ . 1 . 2]" 1
649 1 72 GLU H 1 73 ALA H 0.000 . 4.740 3.264 2.777 4.274 . 0 0 "[ . 1 . 2]" 1
650 1 72 GLU HA 1 73 ALA H 0.000 . 3.140 2.963 2.509 3.462 0.322 19 0 "[ . 1 . 2]" 1
651 1 73 ALA H 1 73 ALA MB 0.000 . 3.520 2.613 2.184 2.943 . 0 0 "[ . 1 . 2]" 1
652 1 72 GLU QB 1 73 ALA H 0.000 . 3.900 3.342 1.707 4.028 0.128 15 0 "[ . 1 . 2]" 1
653 1 72 GLU QG 1 73 ALA H 0.000 . 4.010 3.892 2.201 4.301 0.291 20 0 "[ . 1 . 2]" 1
654 1 71 GLN QG 1 73 ALA H 0.000 . 5.380 4.855 4.114 5.410 0.030 6 0 "[ . 1 . 2]" 1
655 1 72 GLU H 1 89 ILE H 0.000 . 5.440 4.875 4.594 5.400 . 0 0 "[ . 1 . 2]" 1
656 1 72 GLU H 1 90 ARG H 0.000 . 5.500 4.427 3.675 5.386 . 0 0 "[ . 1 . 2]" 1
657 1 71 GLN H 1 72 GLU H 0.000 . 4.630 4.354 4.192 4.553 . 0 0 "[ . 1 . 2]" 1
658 1 72 GLU H 1 89 ILE HA 0.000 . 3.780 3.009 2.605 3.575 . 0 0 "[ . 1 . 2]" 1
659 1 71 GLN HA 1 72 GLU H 0.000 . 3.240 2.163 2.122 2.228 . 0 0 "[ . 1 . 2]" 1
660 1 71 GLN QG 1 72 GLU H 0.000 . 3.530 3.125 2.524 3.505 . 0 0 "[ . 1 . 2]" 1
661 1 72 GLU H 1 72 GLU QG 0.000 . 4.310 3.530 2.391 4.413 0.103 14 0 "[ . 1 . 2]" 1
662 1 71 GLN QB 1 72 GLU H 0.000 . 4.270 3.877 3.670 3.990 . 0 0 "[ . 1 . 2]" 1
663 1 72 GLU H 1 72 GLU QB 0.000 . 3.580 2.965 2.733 3.350 . 0 0 "[ . 1 . 2]" 1
664 1 70 VAL HA 1 71 GLN H 0.000 . 2.980 2.130 2.117 2.156 . 0 0 "[ . 1 . 2]" 1
665 1 71 GLN H 1 71 GLN QG 0.000 . 4.130 4.021 3.964 4.074 . 0 0 "[ . 1 . 2]" 1
666 1 70 VAL HB 1 71 GLN H 0.000 . 3.450 3.341 3.138 3.440 . 0 0 "[ . 1 . 2]" 1
667 1 71 GLN H 1 71 GLN QB 0.000 . 3.100 2.293 2.253 2.367 . 0 0 "[ . 1 . 2]" 1
668 1 71 GLN H 1 89 ILE MG 0.000 . 5.240 4.013 3.635 4.356 . 0 0 "[ . 1 . 2]" 1
669 1 70 VAL H 1 89 ILE HA 0.000 . 5.470 4.265 3.930 4.652 . 0 0 "[ . 1 . 2]" 1
670 1 70 VAL H 1 90 ARG HA 0.000 . 5.500 4.957 4.699 5.284 . 0 0 "[ . 1 . 2]" 1
671 1 69 CYS HA 1 70 VAL H 0.000 . 2.880 2.192 2.170 2.232 . 0 0 "[ . 1 . 2]" 1
672 1 70 VAL H 1 70 VAL HB 0.000 . 3.900 3.729 3.681 3.795 . 0 0 "[ . 1 . 2]" 1
673 1 70 VAL H 1 70 VAL QG 0.000 . 3.480 1.833 1.732 1.952 . 0 0 "[ . 1 . 2]" 1
674 1 70 VAL H 1 89 ILE HB 0.000 . 3.900 3.716 3.292 3.933 0.033 2 0 "[ . 1 . 2]" 1
675 1 70 VAL H 1 90 ARG QB 0.000 . 4.360 3.627 3.356 4.077 . 0 0 "[ . 1 . 2]" 1
676 1 69 CYS QB 1 70 VAL H 0.000 . 4.560 3.837 3.511 4.017 . 0 0 "[ . 1 . 2]" 1
677 1 70 VAL H 1 90 ARG QD 0.000 . 5.060 4.965 4.330 5.271 0.211 17 0 "[ . 1 . 2]" 1
678 1 70 VAL H 1 91 VAL HA 0.000 . 4.260 4.311 4.277 4.344 0.084 10 0 "[ . 1 . 2]" 1
679 1 70 VAL H 1 71 GLN H 0.000 . 4.630 4.394 4.348 4.436 . 0 0 "[ . 1 . 2]" 1
680 1 68 ARG HA 1 69 CYS H 0.000 . 3.100 2.179 2.091 2.251 . 0 0 "[ . 1 . 2]" 1
681 1 68 ARG QD 1 69 CYS H 0.000 . 4.680 4.634 3.314 4.916 0.236 10 0 "[ . 1 . 2]" 1
682 1 69 CYS H 1 69 CYS QB 0.000 . 3.540 2.596 2.297 3.151 . 0 0 "[ . 1 . 2]" 1
683 1 68 ARG QG 1 69 CYS H 0.000 . 4.240 3.812 3.514 4.344 0.104 19 0 "[ . 1 . 2]" 1
684 1 68 ARG QB 1 69 CYS H 0.000 . 3.630 2.869 2.528 3.537 . 0 0 "[ . 1 . 2]" 1
685 1 69 CYS H 1 91 VAL QG 0.000 . 4.940 4.716 3.743 5.008 0.068 14 0 "[ . 1 . 2]" 1
686 1 69 CYS H 1 116 VAL QG 0.000 . 5.920 4.751 4.118 5.712 . 0 0 "[ . 1 . 2]" 1
687 1 68 ARG H 1 92 GLN H 0.000 . 3.640 2.977 2.637 3.478 . 0 0 "[ . 1 . 2]" 1
688 1 67 PHE HA 1 68 ARG H 0.000 . 3.180 2.154 2.137 2.182 . 0 0 "[ . 1 . 2]" 1
689 1 68 ARG H 1 91 VAL HA 0.000 . 4.110 3.916 3.592 4.153 0.043 9 0 "[ . 1 . 2]" 1
690 1 67 PHE QB 1 68 ARG H 0.000 . 3.930 3.761 3.653 3.826 . 0 0 "[ . 1 . 2]" 1
691 1 68 ARG H 1 68 ARG QG 0.000 . 3.940 3.108 2.276 3.469 . 0 0 "[ . 1 . 2]" 1
692 1 68 ARG H 1 68 ARG QB 0.000 . 3.510 2.679 2.567 3.160 . 0 0 "[ . 1 . 2]" 1
693 1 68 ARG H 1 68 ARG QD 0.000 . 5.500 4.603 4.256 4.908 . 0 0 "[ . 1 . 2]" 1
694 1 68 ARG H 1 92 GLN QB 0.000 . 5.280 4.684 3.546 5.326 0.046 10 0 "[ . 1 . 2]" 1
695 1 67 PHE H 1 68 ARG H 0.000 . 4.680 4.437 4.379 4.530 . 0 0 "[ . 1 . 2]" 1
696 1 67 PHE H 1 67 PHE QB 0.000 . 3.340 2.292 2.207 2.438 . 0 0 "[ . 1 . 2]" 1
697 1 65 SER QB 1 67 PHE H 0.000 . 5.370 4.755 4.325 5.180 . 0 0 "[ . 1 . 2]" 1
698 1 63 ILE MG 1 67 PHE H 0.000 . 5.700 5.156 5.032 5.302 . 0 0 "[ . 1 . 2]" 1
699 1 61 ILE MG 1 67 PHE H 0.000 . 5.750 5.335 4.928 5.764 0.014 16 0 "[ . 1 . 2]" 1
700 1 67 PHE H 1 68 ARG QG 0.000 . 5.400 4.183 3.768 5.410 0.010 13 0 "[ . 1 . 2]" 1
701 1 67 PHE H 1 68 ARG QB 0.000 . 5.500 5.503 4.965 5.673 0.173 9 0 "[ . 1 . 2]" 1
702 1 66 HIS H 1 67 PHE H 0.000 . 3.150 2.580 2.395 2.674 . 0 0 "[ . 1 . 2]" 1
703 1 63 ILE QG 1 64 ASN H 0.000 . 4.500 4.077 4.014 4.136 . 0 0 "[ . 1 . 2]" 1
704 1 63 ILE MD 1 64 ASN H 0.000 . 5.850 5.217 5.156 5.311 . 0 0 "[ . 1 . 2]" 1
705 1 63 ILE MG 1 64 ASN H 0.000 . 4.110 2.824 2.681 3.007 . 0 0 "[ . 1 . 2]" 1
706 1 61 ILE MG 1 64 ASN H 0.000 . 5.480 5.353 5.078 5.546 0.066 12 0 "[ . 1 . 2]" 1
707 1 63 ILE HB 1 64 ASN H 0.000 . 4.530 4.347 4.298 4.413 . 0 0 "[ . 1 . 2]" 1
708 1 62 PRO QB 1 64 ASN H 0.000 . 5.300 4.995 4.768 5.189 . 0 0 "[ . 1 . 2]" 1
709 1 64 ASN H 1 120 GLN QG 0.000 . 5.500 4.552 4.056 5.572 0.072 12 0 "[ . 1 . 2]" 1
710 1 63 ILE HA 1 64 ASN H 0.000 . 3.010 2.132 2.116 2.142 . 0 0 "[ . 1 . 2]" 1
711 1 64 ASN H 1 67 PHE HA 0.000 . 4.930 4.616 4.550 4.685 . 0 0 "[ . 1 . 2]" 1
712 1 64 ASN H 1 67 PHE QD 0.000 . 4.160 2.648 2.513 2.868 . 0 0 "[ . 1 . 2]" 1
713 1 64 ASN H 1 66 HIS H 0.000 . 4.520 4.452 4.074 4.587 0.067 18 0 "[ . 1 . 2]" 1
714 1 63 ILE H 1 64 ASN H 0.000 . 4.580 4.409 4.313 4.481 . 0 0 "[ . 1 . 2]" 1
715 1 63 ILE H 1 63 ILE QG 0.000 . 3.850 2.549 2.401 2.707 . 0 0 "[ . 1 . 2]" 1
716 1 63 ILE H 1 63 ILE MD 0.000 . 4.670 3.591 3.483 3.709 . 0 0 "[ . 1 . 2]" 1
717 1 46 LEU H 1 63 ILE QG 0.000 . 4.060 2.354 2.213 2.514 . 0 0 "[ . 1 . 2]" 1
718 1 46 LEU H 1 63 ILE MD 0.000 . 4.660 3.338 3.223 3.548 . 0 0 "[ . 1 . 2]" 1
719 1 45 GLU H 1 63 ILE QG 0.000 . 4.360 4.249 4.124 4.329 . 0 0 "[ . 1 . 2]" 1
720 1 45 GLU H 1 63 ILE MD 0.000 . 4.640 2.945 2.757 3.169 . 0 0 "[ . 1 . 2]" 1
721 1 45 GLU HA 1 63 ILE H 0.000 . 3.740 2.146 1.836 2.549 . 0 0 "[ . 1 . 2]" 1
722 1 38 ALA H 1 45 GLU H 0.000 . 3.670 3.419 3.237 3.511 . 0 0 "[ . 1 . 2]" 1
723 1 46 LEU H 1 63 ILE H 0.000 . 4.410 3.592 3.241 4.104 . 0 0 "[ . 1 . 2]" 1
724 1 44 TYR H 1 63 ILE H 0.000 . 5.420 5.024 4.716 5.211 . 0 0 "[ . 1 . 2]" 1
725 1 62 PRO HA 1 63 ILE H 0.000 . 3.360 2.248 2.193 2.321 . 0 0 "[ . 1 . 2]" 1
726 1 44 TYR QB 1 63 ILE H 0.000 . 4.550 4.204 4.034 4.355 . 0 0 "[ . 1 . 2]" 1
727 1 62 PRO QB 1 63 ILE H 0.000 . 4.190 2.965 2.773 3.134 . 0 0 "[ . 1 . 2]" 1
728 1 45 GLU QB 1 63 ILE H 0.000 . 3.860 3.321 3.144 3.645 . 0 0 "[ . 1 . 2]" 1
729 1 43 GLN QG 1 63 ILE H 0.000 . 4.750 3.988 3.689 4.206 . 0 0 "[ . 1 . 2]" 1
730 1 62 PRO QG 1 63 ILE H 0.000 . 5.010 4.470 4.305 4.635 . 0 0 "[ . 1 . 2]" 1
731 1 63 ILE H 1 63 ILE HB 0.000 . 3.670 2.396 2.353 2.436 . 0 0 "[ . 1 . 2]" 1
732 1 63 ILE H 1 63 ILE MG 0.000 . 4.450 3.744 3.725 3.767 . 0 0 "[ . 1 . 2]" 1
733 1 48 ILE H 1 61 ILE H 0.000 . 4.380 3.904 3.511 4.181 . 0 0 "[ . 1 . 2]" 1
734 1 60 ILE HA 1 61 ILE H 0.000 . 3.460 2.148 2.120 2.173 . 0 0 "[ . 1 . 2]" 1
735 1 61 ILE H 1 62 PRO QD 0.000 . 4.890 3.975 3.514 4.250 . 0 0 "[ . 1 . 2]" 1
736 1 60 ILE MG 1 61 ILE H 0.000 . 4.130 3.004 2.695 3.252 . 0 0 "[ . 1 . 2]" 1
737 1 61 ILE H 1 61 ILE MD 0.000 . 4.410 3.472 3.188 4.185 . 0 0 "[ . 1 . 2]" 1
738 1 61 ILE H 1 61 ILE MG 0.000 . 4.490 3.863 3.840 3.920 . 0 0 "[ . 1 . 2]" 1
739 1 61 ILE H 1 61 ILE QG 0.000 . 3.590 2.555 2.429 2.709 . 0 0 "[ . 1 . 2]" 1
740 1 61 ILE H 1 61 ILE HB 0.000 . 3.800 2.670 2.614 2.803 . 0 0 "[ . 1 . 2]" 1
741 1 60 ILE HB 1 61 ILE H 0.000 . 4.390 4.328 4.227 4.402 0.012 16 0 "[ . 1 . 2]" 1
742 1 45 GLU QB 1 61 ILE H 0.000 . 4.710 4.284 3.905 4.532 . 0 0 "[ . 1 . 2]" 1
743 1 45 GLU QG 1 61 ILE H 0.000 . 5.270 5.252 5.128 5.299 0.029 11 0 "[ . 1 . 2]" 1
744 1 60 ILE H 1 61 ILE H 0.000 . 4.930 4.343 4.192 4.454 . 0 0 "[ . 1 . 2]" 1
745 1 59 ASP HA 1 60 ILE H 0.000 . 3.290 2.162 2.142 2.193 . 0 0 "[ . 1 . 2]" 1
746 1 60 ILE H 1 60 ILE MG 0.000 . 4.650 3.783 3.754 3.815 . 0 0 "[ . 1 . 2]" 1
747 1 60 ILE H 1 60 ILE MD 0.000 . 4.340 3.372 2.886 3.629 . 0 0 "[ . 1 . 2]" 1
748 1 60 ILE H 1 60 ILE HB 0.000 . 3.520 2.509 2.418 2.657 . 0 0 "[ . 1 . 2]" 1
749 1 59 ASP QB 1 60 ILE H 0.000 . 3.840 3.533 3.090 3.897 0.057 9 0 "[ . 1 . 2]" 1
750 1 51 HIS H 1 51 HIS QB 0.000 . 3.480 2.449 2.233 2.688 . 0 0 "[ . 1 . 2]" 1
751 1 50 LEU HA 1 51 HIS H 0.000 . 3.540 2.155 2.133 2.176 . 0 0 "[ . 1 . 2]" 1
752 1 33 CYS HA 1 51 HIS H 0.000 . 3.980 2.490 2.176 3.014 . 0 0 "[ . 1 . 2]" 1
753 1 47 ILE MG 1 59 ASP H 0.000 . 4.750 3.308 2.739 3.830 . 0 0 "[ . 1 . 2]" 1
754 1 58 GLN H 1 59 ASP H 0.000 . 4.410 4.314 3.877 4.517 0.107 16 0 "[ . 1 . 2]" 1
755 1 57 VAL HA 1 58 GLN H 0.000 . 3.080 2.148 2.134 2.164 . 0 0 "[ . 1 . 2]" 1
756 1 58 GLN HA 1 59 ASP H 0.000 . 3.510 2.142 2.110 2.177 . 0 0 "[ . 1 . 2]" 1
757 1 48 ILE HB 1 59 ASP H 0.000 . 4.180 3.791 2.961 4.248 0.068 3 0 "[ . 1 . 2]" 1
758 1 58 GLN QB 1 59 ASP H 0.000 . 4.490 3.595 2.913 3.938 . 0 0 "[ . 1 . 2]" 1
759 1 58 GLN H 1 58 GLN QB 0.000 . 3.490 2.455 2.304 2.772 . 0 0 "[ . 1 . 2]" 1
760 1 58 GLN H 1 58 GLN QG 0.000 . 4.270 3.404 1.933 4.102 . 0 0 "[ . 1 . 2]" 1
761 1 57 VAL HB 1 58 GLN H 0.000 . 3.840 3.797 3.213 4.015 0.175 11 0 "[ . 1 . 2]" 1
762 1 47 ILE MG 1 58 GLN H 0.000 . 6.000 5.773 5.105 6.089 0.089 2 0 "[ . 1 . 2]" 1
763 1 57 VAL H 1 58 GLN H 0.000 . 4.820 4.471 4.376 4.574 . 0 0 "[ . 1 . 2]" 1
764 1 79 ILE HB 1 80 ASP H 0.000 . 4.040 4.140 4.081 4.187 0.147 8 0 "[ . 1 . 2]" 1
765 1 52 GLU QB 1 57 VAL H 0.000 . 4.350 3.726 2.687 4.377 0.027 6 0 "[ . 1 . 2]" 1
766 1 52 GLU QG 1 57 VAL H 0.000 . 4.710 4.346 3.337 4.781 0.071 8 0 "[ . 1 . 2]" 1
767 1 56 HIS QB 1 57 VAL H 0.000 . 4.410 3.492 2.839 4.036 . 0 0 "[ . 1 . 2]" 1
768 1 52 GLU H 1 57 VAL H 0.000 . 4.100 3.840 3.206 4.195 0.095 20 0 "[ . 1 . 2]" 1
769 1 100 ARG QB 1 100 ARG HE 0.000 . 4.480 2.967 2.084 4.110 . 0 0 "[ . 1 . 2]" 1
770 1 25 MET ME 1 100 ARG HE 0.000 . 5.410 3.778 2.140 5.471 0.061 3 0 "[ . 1 . 2]" 1
771 1 84 ASN H 1 84 ASN QB 0.000 . 3.310 2.612 2.268 2.810 . 0 0 "[ . 1 . 2]" 1
772 1 83 SER QB 1 84 ASN H 0.000 . 3.990 3.790 3.344 4.054 0.064 2 0 "[ . 1 . 2]" 1
773 1 83 SER HA 1 84 ASN H 0.000 . 3.040 2.250 2.119 2.575 . 0 0 "[ . 1 . 2]" 1
774 1 83 SER H 1 84 ASN H 0.000 . 4.330 4.062 3.396 4.356 0.026 20 0 "[ . 1 . 2]" 1
775 1 84 ASN H 1 85 SER H 0.000 . 4.440 4.145 2.083 4.475 0.035 1 0 "[ . 1 . 2]" 1
776 1 82 ALA MB 1 83 SER H 0.000 . 3.820 2.838 2.405 3.231 . 0 0 "[ . 1 . 2]" 1
777 1 79 ILE MG 1 83 SER H 0.000 . 4.800 3.654 2.469 4.545 . 0 0 "[ . 1 . 2]" 1
778 1 81 ILE MG 1 83 SER H 0.000 . 5.560 4.541 4.099 5.196 . 0 0 "[ . 1 . 2]" 1
779 1 83 SER H 1 83 SER QB 0.000 . 3.100 2.426 2.207 2.677 . 0 0 "[ . 1 . 2]" 1
780 1 82 ALA H 1 83 SER H 0.000 . 3.410 2.777 2.642 2.913 . 0 0 "[ . 1 . 2]" 1
781 1 81 ILE H 1 82 ALA H 0.000 . 3.200 2.599 1.985 2.696 . 0 0 "[ . 1 . 2]" 1
782 1 80 ASP QB 1 82 ALA H 0.000 . 4.830 4.772 4.399 4.988 0.158 7 0 "[ . 1 . 2]" 1
783 1 81 ILE HB 1 82 ALA H 0.000 . 3.590 2.673 2.543 3.012 . 0 0 "[ . 1 . 2]" 1
784 1 79 ILE MG 1 82 ALA H 0.000 . 3.930 2.705 2.207 3.902 . 0 0 "[ . 1 . 2]" 1
785 1 82 ALA H 1 82 ALA MB 0.000 . 3.160 2.212 2.179 2.230 . 0 0 "[ . 1 . 2]" 1
786 1 80 ASP QB 1 81 ILE H 0.000 . 3.520 2.812 2.517 3.456 . 0 0 "[ . 1 . 2]" 1
787 1 80 ASP H 1 81 ILE H 0.000 . 3.080 1.795 1.646 2.048 . 0 0 "[ . 1 . 2]" 1
788 1 81 ILE H 1 83 SER H 0.000 . 4.380 4.115 3.766 4.350 . 0 0 "[ . 1 . 2]" 1
789 1 81 ILE H 1 81 ILE HB 0.000 . 2.970 2.464 2.381 2.635 . 0 0 "[ . 1 . 2]" 1
790 1 81 ILE H 1 81 ILE MD 0.000 . 4.460 3.231 2.755 3.437 . 0 0 "[ . 1 . 2]" 1
791 1 79 ILE MG 1 81 ILE H 0.000 . 3.980 3.552 2.793 4.012 0.032 3 0 "[ . 1 . 2]" 1
792 1 79 ILE HA 1 80 ASP H 0.000 . 2.680 2.135 2.112 2.202 . 0 0 "[ . 1 . 2]" 1
793 1 11 PRO QG 1 12 VAL H 0.000 . 4.490 4.593 4.480 4.654 0.164 3 0 "[ . 1 . 2]" 1
794 1 80 ASP H 1 82 ALA MB 0.000 . 5.060 4.012 3.402 4.627 . 0 0 "[ . 1 . 2]" 1
795 1 79 ILE MG 1 80 ASP H 0.000 . 3.860 2.578 2.374 2.822 . 0 0 "[ . 1 . 2]" 1
796 1 62 PRO QG 1 64 ASN HD21 0.000 . 5.130 4.120 2.995 4.977 . 0 0 "[ . 1 . 2]" 1
797 1 62 PRO QG 1 64 ASN HD22 0.000 . 5.130 3.711 3.001 5.006 . 0 0 "[ . 1 . 2]" 1
798 1 85 SER H 1 86 GLY H 0.000 . 4.470 3.399 3.191 4.384 . 0 0 "[ . 1 . 2]" 1
799 1 84 ASN HA 1 85 SER H 0.000 . 2.660 2.706 2.624 2.934 0.274 8 0 "[ . 1 . 2]" 1
800 1 84 ASN QB 1 85 SER H 0.000 . 3.840 2.082 1.800 3.855 0.015 19 0 "[ . 1 . 2]" 1
801 1 85 SER H 1 106 GLU QG 0.000 . 4.810 2.109 1.806 4.045 . 0 0 "[ . 1 . 2]" 1
802 1 85 SER H 1 106 GLU QB 0.000 . 5.070 3.663 3.275 5.054 . 0 0 "[ . 1 . 2]" 1
803 1 86 GLY H 1 87 CYS H 0.000 . 3.840 3.099 2.879 3.338 . 0 0 "[ . 1 . 2]" 1
804 1 86 GLY H 1 106 GLU H 0.000 . 4.180 3.992 3.786 4.176 . 0 0 "[ . 1 . 2]" 1
805 1 85 SER HA 1 86 GLY H 0.000 . 2.780 2.263 2.166 2.330 . 0 0 "[ . 1 . 2]" 1
806 1 86 GLY H 1 106 GLU HA 0.000 . 3.340 3.080 2.822 3.248 . 0 0 "[ . 1 . 2]" 1
807 1 86 GLY H 1 106 GLU QG 0.000 . 3.830 3.796 3.684 3.876 0.046 20 0 "[ . 1 . 2]" 1
808 1 86 GLY H 1 106 GLU QB 0.000 . 3.620 3.208 2.980 3.455 . 0 0 "[ . 1 . 2]" 1
809 1 86 GLY H 1 110 LEU QD 0.000 . 6.000 6.019 5.809 6.115 0.115 12 0 "[ . 1 . 2]" 1
810 1 87 CYS H 1 103 ILE H 0.000 . 3.720 3.510 3.248 3.735 0.015 14 0 "[ . 1 . 2]" 1
811 1 87 CYS H 1 102 GLU HA 0.000 . 5.450 5.244 4.979 5.459 0.009 8 0 "[ . 1 . 2]" 1
812 1 87 CYS H 1 104 PRO HA 0.000 . 4.230 4.308 4.259 4.332 0.102 11 0 "[ . 1 . 2]" 1
813 1 86 GLY QA 1 87 CYS H 0.000 . 3.190 2.343 2.299 2.427 . 0 0 "[ . 1 . 2]" 1
814 1 87 CYS H 1 87 CYS QB 0.000 . 3.680 2.934 2.882 3.051 . 0 0 "[ . 1 . 2]" 1
815 1 87 CYS H 1 103 ILE HB 0.000 . 3.930 3.152 2.883 3.529 . 0 0 "[ . 1 . 2]" 1
816 1 19 THR H 1 111 LYS QB 0.000 . 4.630 4.647 4.266 4.737 0.107 14 0 "[ . 1 . 2]" 1
817 1 87 CYS H 1 103 ILE MG 0.000 . 5.330 4.080 3.688 4.752 . 0 0 "[ . 1 . 2]" 1
818 1 87 CYS H 1 103 ILE QG 0.000 . 5.380 4.886 4.337 5.471 0.091 19 0 "[ . 1 . 2]" 1
819 1 87 CYS H 1 103 ILE MD 0.000 . 6.000 5.002 3.913 5.728 . 0 0 "[ . 1 . 2]" 1
820 1 95 TRP H 1 96 ILE H 0.000 . 4.260 2.604 2.405 3.050 . 0 0 "[ . 1 . 2]" 1
821 1 95 TRP H 1 95 TRP QB 0.000 . 3.570 2.509 2.314 2.917 . 0 0 "[ . 1 . 2]" 1
822 1 95 TRP H 1 96 ILE MG 0.000 . 4.630 4.251 3.688 4.651 0.021 1 0 "[ . 1 . 2]" 1
823 1 96 ILE H 1 97 ARG H 0.000 . 4.970 4.457 4.365 4.502 . 0 0 "[ . 1 . 2]" 1
824 1 93 GLY H 1 96 ILE H 0.000 . 4.420 3.945 3.367 4.487 0.067 20 0 "[ . 1 . 2]" 1
825 1 94 ASP HA 1 96 ILE H 0.000 . 4.210 4.133 3.981 4.317 0.107 7 0 "[ . 1 . 2]" 1
826 1 95 TRP QB 1 96 ILE H 0.000 . 5.240 3.555 2.673 4.028 . 0 0 "[ . 1 . 2]" 1
827 1 96 ILE H 1 96 ILE MD 0.000 . 4.530 3.859 3.761 4.024 . 0 0 "[ . 1 . 2]" 1
828 1 96 ILE H 1 96 ILE MG 0.000 . 4.290 2.971 2.721 3.152 . 0 0 "[ . 1 . 2]" 1
829 1 17 LEU H 1 37 LEU H 0.000 . 5.060 4.834 4.262 5.086 0.026 7 0 "[ . 1 . 2]" 1
830 1 17 LEU H 1 38 ALA HA 0.000 . 3.610 2.066 1.819 2.427 . 0 0 "[ . 1 . 2]" 1
831 1 96 ILE MD 1 97 ARG H 0.000 . 5.210 4.529 4.257 4.940 . 0 0 "[ . 1 . 2]" 1
832 1 96 ILE MG 1 97 ARG H 0.000 . 4.290 3.751 3.501 3.929 . 0 0 "[ . 1 . 2]" 1
833 1 97 ARG H 1 97 ARG QB 0.000 . 3.730 2.519 2.365 2.874 . 0 0 "[ . 1 . 2]" 1
834 1 97 ARG H 1 97 ARG QG 0.000 . 3.840 2.257 1.729 3.032 . 0 0 "[ . 1 . 2]" 1
835 1 96 ILE HB 1 97 ARG H 0.000 . 3.540 2.793 2.538 3.213 . 0 0 "[ . 1 . 2]" 1
836 1 97 ARG H 1 97 ARG QD 0.000 . 4.630 3.826 1.837 4.415 . 0 0 "[ . 1 . 2]" 1
837 1 96 ILE HA 1 97 ARG H 0.000 . 3.400 2.302 2.193 2.392 . 0 0 "[ . 1 . 2]" 1
838 1 3 LEU QB 1 4 GLY H 0.000 . 4.790 2.861 1.918 3.820 . 0 0 "[ . 1 . 2]" 1
839 1 2 PRO HA 1 3 LEU H 0.000 . 3.550 2.746 2.228 3.546 . 0 0 "[ . 1 . 2]" 1
840 1 3 LEU H 1 3 LEU QB 0.000 . 3.370 2.447 2.255 3.287 . 0 0 "[ . 1 . 2]" 1
841 1 5 SER HA 1 6 MET H 0.000 . 3.350 2.714 2.163 3.524 0.174 7 0 "[ . 1 . 2]" 1
842 1 5 SER QB 1 6 MET H 0.000 . 4.540 3.231 2.487 3.996 . 0 0 "[ . 1 . 2]" 1
843 1 6 MET H 1 6 MET QB 0.000 . 3.470 2.523 2.203 3.311 . 0 0 "[ . 1 . 2]" 1
844 1 6 MET HA 1 7 GLU H 0.000 . 3.470 2.685 2.137 3.531 0.061 13 0 "[ . 1 . 2]" 1
845 1 7 GLU H 1 7 GLU QB 0.000 . 2.900 2.404 2.258 2.619 . 0 0 "[ . 1 . 2]" 1
846 1 7 GLU H 1 7 GLU QG 0.000 . 3.500 2.683 2.091 3.607 0.107 3 0 "[ . 1 . 2]" 1
847 1 6 MET QB 1 7 GLU H 0.000 . 3.850 2.799 1.786 3.730 . 0 0 "[ . 1 . 2]" 1
848 1 10 LEU H 1 10 LEU HA 0.000 . 2.850 2.811 2.757 2.879 0.029 10 0 "[ . 1 . 2]" 1
849 1 9 PRO QD 1 10 LEU H 0.000 . 4.040 2.757 2.638 2.844 . 0 0 "[ . 1 . 2]" 1
850 1 8 PRO QB 1 10 LEU H 0.000 . 3.360 2.615 2.540 3.190 . 0 0 "[ . 1 . 2]" 1
851 1 9 PRO QG 1 10 LEU H 0.000 . 3.090 2.426 1.912 2.686 . 0 0 "[ . 1 . 2]" 1
852 1 10 LEU H 1 10 LEU QB 0.000 . 2.990 2.454 2.139 2.652 . 0 0 "[ . 1 . 2]" 1
853 1 12 VAL H 1 12 VAL QG 0.000 . 3.520 2.048 1.727 2.198 . 0 0 "[ . 1 . 2]" 1
854 1 111 LYS QB 1 112 PHE H 0.000 . 2.650 2.482 2.429 2.518 . 0 0 "[ . 1 . 2]" 1
855 1 11 PRO HA 1 12 VAL H 0.000 . 2.790 2.210 2.175 2.272 . 0 0 "[ . 1 . 2]" 1
856 1 11 PRO QB 1 12 VAL H 0.000 . 3.310 3.065 2.928 3.132 . 0 0 "[ . 1 . 2]" 1
857 1 12 VAL HB 1 13 GLY H 0.000 . 4.490 3.057 2.534 4.414 . 0 0 "[ . 1 . 2]" 1
858 1 11 PRO QB 1 13 GLY H 0.000 . 5.110 3.121 2.609 3.472 . 0 0 "[ . 1 . 2]" 1
859 1 13 GLY H 1 14 ALA H 0.000 . 3.380 2.672 1.960 2.991 . 0 0 "[ . 1 . 2]" 1
860 1 14 ALA H 1 15 GLN H 0.000 . 4.690 4.606 4.582 4.621 . 0 0 "[ . 1 . 2]" 1
861 1 12 VAL H 1 14 ALA H 0.000 . 4.280 4.123 3.910 4.334 0.054 16 0 "[ . 1 . 2]" 1
862 1 12 VAL HA 1 14 ALA H 0.000 . 4.090 4.128 3.899 4.202 0.112 3 0 "[ . 1 . 2]" 1
863 1 14 ALA H 1 40 ARG QD 0.000 . 3.800 3.532 3.105 3.949 0.149 11 0 "[ . 1 . 2]" 1
864 1 11 PRO QB 1 14 ALA H 0.000 . 3.940 2.541 2.196 3.125 . 0 0 "[ . 1 . 2]" 1
865 1 14 ALA H 1 15 GLN QG 0.000 . 5.390 5.134 4.945 5.389 . 0 0 "[ . 1 . 2]" 1
866 1 14 ALA H 1 14 ALA MB 0.000 . 3.150 2.227 2.173 2.262 . 0 0 "[ . 1 . 2]" 1
867 1 11 PRO QG 1 14 ALA H 0.000 . 4.180 3.611 2.788 4.232 0.052 5 0 "[ . 1 . 2]" 1
868 1 15 GLN H 1 38 ALA HA 0.000 . 4.470 4.241 3.743 4.559 0.089 18 0 "[ . 1 . 2]" 1
869 1 14 ALA HA 1 15 GLN H 0.000 . 2.810 2.227 2.165 2.449 . 0 0 "[ . 1 . 2]" 1
870 1 15 GLN H 1 16 PRO QD 0.000 . 4.130 3.749 3.287 4.138 0.008 3 0 "[ . 1 . 2]" 1
871 1 15 GLN H 1 40 ARG QD 0.000 . 4.660 4.717 4.497 4.810 0.150 3 0 "[ . 1 . 2]" 1
872 1 15 GLN H 1 15 GLN QG 0.000 . 3.390 2.477 2.309 2.688 . 0 0 "[ . 1 . 2]" 1
873 1 14 ALA MB 1 15 GLN H 0.000 . 3.550 2.768 2.302 2.922 . 0 0 "[ . 1 . 2]" 1
874 1 15 GLN H 1 38 ALA MB 0.000 . 3.950 2.728 2.345 3.169 . 0 0 "[ . 1 . 2]" 1
875 1 15 GLN H 1 40 ARG QB 0.000 . 4.710 3.437 3.192 3.529 . 0 0 "[ . 1 . 2]" 1
876 1 15 GLN H 1 39 GLN QB 0.000 . 4.280 4.041 3.699 4.300 0.020 2 0 "[ . 1 . 2]" 1
877 1 16 PRO HA 1 17 LEU H 0.000 . 3.230 2.215 2.133 2.291 . 0 0 "[ . 1 . 2]" 1
878 1 17 LEU H 1 17 LEU QB 0.000 . 3.690 2.459 2.428 2.559 . 0 0 "[ . 1 . 2]" 1
879 1 17 LEU H 1 37 LEU HG 0.000 . 4.250 3.767 3.497 3.911 . 0 0 "[ . 1 . 2]" 1
880 1 17 LEU H 1 17 LEU HG 0.000 . 3.580 2.133 1.918 2.477 . 0 0 "[ . 1 . 2]" 1
881 1 16 PRO QB 1 17 LEU H 0.000 . 3.830 3.710 3.344 3.853 0.023 11 0 "[ . 1 . 2]" 1
882 1 16 PRO QG 1 17 LEU H 0.000 . 4.880 4.754 4.636 4.796 . 0 0 "[ . 1 . 2]" 1
883 1 17 LEU H 1 17 LEU QD 0.000 . 3.970 3.013 2.806 3.227 . 0 0 "[ . 1 . 2]" 1
884 1 17 LEU H 1 18 ALA H 0.000 . 2.960 2.521 2.037 2.599 . 0 0 "[ . 1 . 2]" 1
885 1 18 ALA H 1 37 LEU H 0.000 . 3.690 3.312 3.146 3.486 . 0 0 "[ . 1 . 2]" 1
886 1 18 ALA H 1 19 THR H 0.000 . 4.500 4.361 4.304 4.399 . 0 0 "[ . 1 . 2]" 1
887 1 18 ALA H 1 38 ALA HA 0.000 . 4.210 4.143 4.023 4.348 0.138 11 0 "[ . 1 . 2]" 1
888 1 18 ALA H 1 37 LEU HA 0.000 . 4.790 4.860 4.781 4.945 0.155 18 0 "[ . 1 . 2]" 1
889 1 16 PRO HA 1 18 ALA H 0.000 . 3.660 3.640 3.522 3.765 0.105 19 0 "[ . 1 . 2]" 1
890 1 18 ALA H 1 19 THR HB 0.000 . 5.230 4.959 4.640 5.093 . 0 0 "[ . 1 . 2]" 1
891 1 16 PRO QG 1 18 ALA H 0.000 . 5.500 5.512 5.380 5.643 0.143 13 0 "[ . 1 . 2]" 1
892 1 18 ALA H 1 116 VAL QG 0.000 . 6.000 5.746 5.606 5.896 . 0 0 "[ . 1 . 2]" 1
893 1 18 ALA H 1 37 LEU QD 0.000 . 4.380 4.019 3.746 4.184 . 0 0 "[ . 1 . 2]" 1
894 1 17 LEU QD 1 18 ALA H 0.000 . 4.630 3.981 3.946 4.058 . 0 0 "[ . 1 . 2]" 1
895 1 18 ALA H 1 18 ALA MB 0.000 . 3.330 2.653 2.553 2.751 . 0 0 "[ . 1 . 2]" 1
896 1 18 ALA H 1 36 THR MG 0.000 . 4.580 3.708 3.533 4.196 . 0 0 "[ . 1 . 2]" 1
897 1 17 LEU HG 1 18 ALA H 0.000 . 4.000 4.089 3.946 4.140 0.140 8 0 "[ . 1 . 2]" 1
898 1 16 PRO QB 1 18 ALA H 0.000 . 4.230 3.932 3.833 4.076 . 0 0 "[ . 1 . 2]" 1
899 1 36 THR HA 1 37 LEU H 0.000 . 3.380 2.100 2.091 2.114 . 0 0 "[ . 1 . 2]" 1
900 1 19 THR HA 1 37 LEU H 0.000 . 4.150 3.449 3.042 3.608 . 0 0 "[ . 1 . 2]" 1
901 1 19 THR HB 1 37 LEU H 0.000 . 4.890 4.755 3.897 4.917 0.027 17 0 "[ . 1 . 2]" 1
902 1 36 THR HB 1 37 LEU H 0.000 . 5.140 4.291 4.199 4.377 . 0 0 "[ . 1 . 2]" 1
903 1 37 LEU H 1 116 VAL QG 0.000 . 5.160 4.367 4.198 4.583 . 0 0 "[ . 1 . 2]" 1
904 1 37 LEU H 1 37 LEU QD 0.000 . 4.440 3.784 3.745 3.822 . 0 0 "[ . 1 . 2]" 1
905 1 36 THR MG 1 37 LEU H 0.000 . 3.840 2.818 2.629 2.961 . 0 0 "[ . 1 . 2]" 1
906 1 37 LEU H 1 37 LEU QB 0.000 . 3.740 2.289 2.253 2.320 . 0 0 "[ . 1 . 2]" 1
907 1 18 ALA MB 1 37 LEU H 0.000 . 4.270 3.377 2.975 3.883 . 0 0 "[ . 1 . 2]" 1
908 1 37 LEU H 1 38 ALA H 0.000 . 4.800 4.484 4.409 4.527 . 0 0 "[ . 1 . 2]" 1
909 1 37 LEU H 1 47 ILE H 0.000 . 5.210 4.903 4.733 5.090 . 0 0 "[ . 1 . 2]" 1
910 1 20 VAL H 1 37 LEU H 0.000 . 5.060 4.843 4.696 5.059 . 0 0 "[ . 1 . 2]" 1
911 1 18 ALA MB 1 19 THR H 0.000 . 3.680 2.704 2.577 2.947 . 0 0 "[ . 1 . 2]" 1
912 1 19 THR H 1 19 THR HB 0.000 . 3.710 3.406 3.289 3.458 . 0 0 "[ . 1 . 2]" 1
913 1 18 ALA HA 1 19 THR H 0.000 . 2.980 2.277 2.184 2.329 . 0 0 "[ . 1 . 2]" 1
914 1 20 VAL H 1 21 GLU H 0.000 . 4.430 4.421 4.386 4.442 0.012 12 0 "[ . 1 . 2]" 1
915 1 19 THR HA 1 20 VAL H 0.000 . 3.140 2.164 2.135 2.201 . 0 0 "[ . 1 . 2]" 1
916 1 20 VAL H 1 36 THR HA 0.000 . 3.910 3.259 3.166 3.560 . 0 0 "[ . 1 . 2]" 1
917 1 20 VAL H 1 34 ALA HA 0.000 . 5.040 5.026 4.807 5.130 0.090 7 0 "[ . 1 . 2]" 1
918 1 20 VAL H 1 35 LEU HA 0.000 . 4.870 4.995 4.926 5.042 0.172 15 0 "[ . 1 . 2]" 1
919 1 19 THR HB 1 20 VAL H 0.000 . 4.360 4.084 4.012 4.131 . 0 0 "[ . 1 . 2]" 1
920 1 20 VAL H 1 20 VAL HB 0.000 . 4.190 3.408 2.641 3.867 . 0 0 "[ . 1 . 2]" 1
921 1 18 ALA MB 1 20 VAL H 0.000 . 5.260 4.988 4.856 5.175 . 0 0 "[ . 1 . 2]" 1
922 1 20 VAL H 1 20 VAL QG 0.000 . 4.160 2.390 2.160 3.019 . 0 0 "[ . 1 . 2]" 1
923 1 20 VAL H 1 35 LEU QB 0.000 . 4.090 3.968 3.542 4.121 0.031 6 0 "[ . 1 . 2]" 1
924 1 20 VAL H 1 34 ALA MB 0.000 . 4.860 3.906 3.581 4.228 . 0 0 "[ . 1 . 2]" 1
925 1 20 VAL H 1 35 LEU QD 0.000 . 6.000 5.083 4.590 5.293 . 0 0 "[ . 1 . 2]" 1
926 1 21 GLU H 1 34 ALA HA 0.000 . 4.940 4.883 4.829 4.963 0.023 8 0 "[ . 1 . 2]" 1
927 1 20 VAL HA 1 21 GLU H 0.000 . 2.980 2.308 2.223 2.368 . 0 0 "[ . 1 . 2]" 1
928 1 21 GLU H 1 21 GLU QB 0.000 . 3.180 2.457 2.352 2.941 . 0 0 "[ . 1 . 2]" 1
929 1 20 VAL QG 1 21 GLU H 0.000 . 3.990 2.471 1.748 3.261 . 0 0 "[ . 1 . 2]" 1
930 1 22 GLY H 1 23 MET H 0.000 . 4.460 4.322 4.167 4.459 . 0 0 "[ . 1 . 2]" 1
931 1 22 GLY H 1 34 ALA HA 0.000 . 3.710 1.987 1.724 2.674 . 0 0 "[ . 1 . 2]" 1
932 1 21 GLU HA 1 22 GLY H 0.000 . 3.290 2.156 2.134 2.297 . 0 0 "[ . 1 . 2]" 1
933 1 22 GLY H 1 33 CYS H 0.000 . 4.220 3.916 3.654 4.058 . 0 0 "[ . 1 . 2]" 1
934 1 21 GLU H 1 22 GLY H 0.000 . 4.510 4.380 4.311 4.537 0.027 13 0 "[ . 1 . 2]" 1
935 1 43 GLN H 1 44 TYR H 0.000 . 4.610 4.430 4.390 4.467 . 0 0 "[ . 1 . 2]" 1
936 1 21 GLU QG 1 22 GLY H 0.000 . 4.310 3.548 2.824 4.333 0.023 13 0 "[ . 1 . 2]" 1
937 1 21 GLU QB 1 22 GLY H 0.000 . 3.990 3.489 2.615 3.837 . 0 0 "[ . 1 . 2]" 1
938 1 22 GLY H 1 103 ILE MD 0.000 . 5.810 4.557 3.576 5.843 0.033 13 0 "[ . 1 . 2]" 1
939 1 22 GLY H 1 35 LEU HG 0.000 . 5.500 4.570 3.933 5.569 0.069 12 0 "[ . 1 . 2]" 1
940 1 22 GLY H 1 103 ILE MG 0.000 . 6.000 5.116 4.749 5.475 . 0 0 "[ . 1 . 2]" 1
941 1 22 GLY H 1 34 ALA MB 0.000 . 4.810 3.243 3.045 3.828 . 0 0 "[ . 1 . 2]" 1
942 1 22 GLY H 1 23 MET HA 0.000 . 5.080 4.809 4.626 4.929 . 0 0 "[ . 1 . 2]" 1
943 1 23 MET H 1 24 GLU H 0.000 . 4.550 4.177 3.858 4.391 . 0 0 "[ . 1 . 2]" 1
944 1 22 GLY QA 1 23 MET H 0.000 . 2.930 2.246 2.199 2.289 . 0 0 "[ . 1 . 2]" 1
945 1 23 MET H 1 103 ILE HA 0.000 . 4.380 3.793 3.456 4.070 . 0 0 "[ . 1 . 2]" 1
946 1 23 MET H 1 102 GLU HA 0.000 . 4.550 4.518 4.354 4.608 0.058 4 0 "[ . 1 . 2]" 1
947 1 23 MET H 1 104 PRO QD 0.000 . 3.800 3.510 3.170 3.833 0.033 4 0 "[ . 1 . 2]" 1
948 1 23 MET H 1 23 MET QB 0.000 . 3.370 2.657 2.531 2.796 . 0 0 "[ . 1 . 2]" 1
949 1 23 MET H 1 103 ILE MD 0.000 . 4.730 4.193 3.529 4.839 0.109 4 0 "[ . 1 . 2]" 1
950 1 23 MET H 1 102 GLU QB 0.000 . 4.000 3.186 2.742 3.761 . 0 0 "[ . 1 . 2]" 1
951 1 24 GLU H 1 32 PRO HA 0.000 . 4.220 3.248 3.041 3.840 . 0 0 "[ . 1 . 2]" 1
952 1 24 GLU H 1 33 CYS HA 0.000 . 4.980 4.723 4.494 4.985 0.005 8 0 "[ . 1 . 2]" 1
953 1 25 MET H 1 101 PHE HA 0.000 . 3.930 2.975 2.732 3.279 . 0 0 "[ . 1 . 2]" 1
954 1 25 MET H 1 100 ARG H 0.000 . 4.120 3.924 3.737 4.155 0.035 16 0 "[ . 1 . 2]" 1
955 1 25 MET H 1 100 ARG HA 0.000 . 4.720 4.753 4.704 4.797 0.077 10 0 "[ . 1 . 2]" 1
956 1 24 GLU HA 1 25 MET H 0.000 . 3.560 2.151 2.126 2.191 . 0 0 "[ . 1 . 2]" 1
957 1 25 MET H 1 100 ARG QD 0.000 . 5.180 5.104 4.893 5.206 0.026 3 0 "[ . 1 . 2]" 1
958 1 25 MET H 1 101 PHE QB 0.000 . 5.500 4.918 4.691 5.226 . 0 0 "[ . 1 . 2]" 1
959 1 25 MET H 1 26 LYS QG 0.000 . 5.400 4.104 3.908 4.252 . 0 0 "[ . 1 . 2]" 1
960 1 25 MET H 1 100 ARG QB 0.000 . 3.610 3.078 2.882 3.226 . 0 0 "[ . 1 . 2]" 1
961 1 24 GLU QG 1 25 MET H 0.000 . 3.180 2.865 2.582 3.260 0.080 18 0 "[ . 1 . 2]" 1
962 1 25 MET H 1 25 MET QB 0.000 . 3.750 2.528 2.396 2.795 . 0 0 "[ . 1 . 2]" 1
963 1 25 MET H 1 25 MET QG 0.000 . 3.310 2.757 2.609 3.006 . 0 0 "[ . 1 . 2]" 1
964 1 24 GLU H 1 24 GLU QB 0.000 . 3.590 2.277 2.228 2.322 . 0 0 "[ . 1 . 2]" 1
965 1 25 MET H 1 31 GLU H 0.000 . 5.230 4.899 4.819 5.234 0.004 10 0 "[ . 1 . 2]" 1
966 1 26 LYS H 1 29 LEU H 0.000 . 4.030 3.726 3.674 3.887 . 0 0 "[ . 1 . 2]" 1
967 1 26 LYS H 1 30 ARG HA 0.000 . 4.160 2.558 2.373 2.900 . 0 0 "[ . 1 . 2]" 1
968 1 25 MET HA 1 26 LYS H 0.000 . 3.050 2.182 2.167 2.205 . 0 0 "[ . 1 . 2]" 1
969 1 26 LYS H 1 29 LEU QD 0.000 . 5.780 3.919 3.773 4.140 . 0 0 "[ . 1 . 2]" 1
970 1 26 LYS H 1 26 LYS QG 0.000 . 4.040 3.096 3.012 3.159 . 0 0 "[ . 1 . 2]" 1
971 1 26 LYS H 1 26 LYS QB 0.000 . 3.190 2.699 2.665 2.748 . 0 0 "[ . 1 . 2]" 1
972 1 24 GLU QG 1 26 LYS H 0.000 . 4.540 4.527 4.382 4.590 0.050 15 0 "[ . 1 . 2]" 1
973 1 25 MET QB 1 26 LYS H 0.000 . 4.030 3.026 2.952 3.136 . 0 0 "[ . 1 . 2]" 1
974 1 25 MET QG 1 26 LYS H 0.000 . 5.140 4.101 3.960 4.418 . 0 0 "[ . 1 . 2]" 1
975 1 26 LYS H 1 100 ARG QD 0.000 . 5.340 5.287 5.168 5.359 0.019 20 0 "[ . 1 . 2]" 1
976 1 25 MET H 1 26 LYS H 0.000 . 4.770 4.481 4.433 4.521 . 0 0 "[ . 1 . 2]" 1
977 1 26 LYS H 1 30 ARG H 0.000 . 5.100 4.404 4.332 4.711 . 0 0 "[ . 1 . 2]" 1
978 1 26 LYS H 1 27 GLY H 0.000 . 4.880 4.384 4.354 4.413 . 0 0 "[ . 1 . 2]" 1
979 1 26 LYS H 1 31 GLU H 0.000 . 5.250 4.672 4.300 4.938 . 0 0 "[ . 1 . 2]" 1
980 1 115 ALA HA 1 118 ALA H 0.000 . 4.070 3.750 3.674 3.855 . 0 0 "[ . 1 . 2]" 1
981 1 38 ALA H 1 46 LEU HA 0.000 . 3.870 3.142 2.858 3.446 . 0 0 "[ . 1 . 2]" 1
982 1 37 LEU HA 1 38 ALA H 0.000 . 3.090 2.176 2.153 2.195 . 0 0 "[ . 1 . 2]" 1
983 1 38 ALA H 1 39 GLN H 0.000 . 4.610 4.400 4.363 4.466 . 0 0 "[ . 1 . 2]" 1
984 1 17 LEU H 1 39 GLN H 0.000 . 4.070 3.615 3.417 4.162 0.092 14 0 "[ . 1 . 2]" 1
985 1 15 GLN H 1 39 GLN H 0.000 . 3.510 2.897 2.357 3.106 . 0 0 "[ . 1 . 2]" 1
986 1 38 ALA HA 1 39 GLN H 0.000 . 2.980 2.243 2.198 2.301 . 0 0 "[ . 1 . 2]" 1
987 1 18 ALA H 1 38 ALA H 0.000 . 5.290 5.260 5.133 5.324 0.034 11 0 "[ . 1 . 2]" 1
988 1 38 ALA H 1 44 TYR QD 0.000 . 5.460 5.289 5.113 5.490 0.030 7 0 "[ . 1 . 2]" 1
989 1 44 TYR HA 1 45 GLU H 0.000 . 2.980 2.182 2.165 2.206 . 0 0 "[ . 1 . 2]" 1
990 1 39 GLN HA 1 45 GLU H 0.000 . 3.560 3.032 2.852 3.363 . 0 0 "[ . 1 . 2]" 1
991 1 14 ALA HA 1 39 GLN H 0.000 . 4.870 4.850 4.230 4.928 0.058 17 0 "[ . 1 . 2]" 1
992 1 16 PRO HA 1 39 GLN H 0.000 . 4.380 3.983 3.792 4.228 . 0 0 "[ . 1 . 2]" 1
993 1 15 GLN QG 1 39 GLN H 0.000 . 4.480 4.010 3.596 4.321 . 0 0 "[ . 1 . 2]" 1
994 1 15 GLN QB 1 39 GLN H 0.000 . 3.760 2.400 2.170 2.677 . 0 0 "[ . 1 . 2]" 1
995 1 39 GLN H 1 39 GLN QB 0.000 . 3.310 2.397 2.325 2.573 . 0 0 "[ . 1 . 2]" 1
996 1 17 LEU HG 1 39 GLN H 0.000 . 3.520 2.902 2.556 3.382 . 0 0 "[ . 1 . 2]" 1
997 1 39 GLN H 1 40 ARG QB 0.000 . 4.830 4.754 4.446 4.849 0.019 8 0 "[ . 1 . 2]" 1
998 1 38 ALA MB 1 39 GLN H 0.000 . 3.370 2.693 2.545 2.848 . 0 0 "[ . 1 . 2]" 1
999 1 38 ALA H 1 44 TYR QB 0.000 . 5.500 5.285 5.041 5.439 . 0 0 "[ . 1 . 2]" 1
1000 1 16 PRO HA 1 38 ALA H 0.000 . 4.900 4.467 4.281 4.790 . 0 0 "[ . 1 . 2]" 1
1001 1 38 ALA H 1 38 ALA MB 0.000 . 3.610 2.619 2.398 2.678 . 0 0 "[ . 1 . 2]" 1
1002 1 38 ALA H 1 63 ILE MD 0.000 . 5.270 4.119 3.971 4.393 . 0 0 "[ . 1 . 2]" 1
1003 1 38 ALA H 1 116 VAL QG 0.000 . 6.000 5.261 5.015 5.521 . 0 0 "[ . 1 . 2]" 1
1004 1 37 LEU HG 1 38 ALA H 0.000 . 3.860 3.134 3.002 3.323 . 0 0 "[ . 1 . 2]" 1
1005 1 17 LEU QB 1 38 ALA H 0.000 . 5.500 4.892 4.646 5.193 . 0 0 "[ . 1 . 2]" 1
1006 1 38 ALA H 1 45 GLU QB 0.000 . 5.500 4.943 4.836 5.066 . 0 0 "[ . 1 . 2]" 1
1007 1 38 ALA H 1 45 GLU QG 0.000 . 4.080 3.329 3.197 3.466 . 0 0 "[ . 1 . 2]" 1
1008 1 39 GLN HE21 1 42 GLY QA 0.000 . 5.020 3.327 2.628 4.381 . 0 0 "[ . 1 . 2]" 1
1009 1 39 GLN HE22 1 42 GLY QA 0.000 . 5.040 3.847 3.486 4.684 . 0 0 "[ . 1 . 2]" 1
1010 1 15 GLN QG 1 39 GLN HE21 0.000 . 5.230 3.936 3.493 4.373 . 0 0 "[ . 1 . 2]" 1
1011 1 15 GLN QB 1 39 GLN HE21 0.000 . 5.070 4.300 3.406 4.708 . 0 0 "[ . 1 . 2]" 1
1012 1 15 GLN QG 1 39 GLN HE22 0.000 . 5.030 4.795 2.895 5.118 0.088 3 0 "[ . 1 . 2]" 1
1013 1 15 GLN QB 1 39 GLN HE22 0.000 . 5.100 4.970 3.748 5.233 0.133 8 0 "[ . 1 . 2]" 1
1014 1 17 LEU QD 1 39 GLN HE21 0.000 . 5.580 4.534 3.667 5.099 . 0 0 "[ . 1 . 2]" 1
1015 1 17 LEU QD 1 39 GLN HE22 0.000 . 4.970 4.491 3.501 4.988 0.018 2 0 "[ . 1 . 2]" 1
1016 1 39 GLN QB 1 39 GLN HE21 0.000 . 3.520 3.005 2.265 3.386 . 0 0 "[ . 1 . 2]" 1
1017 1 39 GLN QB 1 39 GLN HE22 0.000 . 3.760 3.662 3.378 3.815 0.055 7 0 "[ . 1 . 2]" 1
1018 1 15 GLN HE22 1 15 GLN QG 0.000 . 3.790 3.468 3.360 3.538 . 0 0 "[ . 1 . 2]" 1
1019 1 36 THR H 1 47 ILE H 0.000 . 3.940 3.540 3.174 3.755 . 0 0 "[ . 1 . 2]" 1
1020 1 20 VAL H 1 36 THR H 0.000 . 5.130 4.868 4.801 5.021 . 0 0 "[ . 1 . 2]" 1
1021 1 36 THR H 1 37 LEU H 0.000 . 4.340 4.228 4.137 4.299 . 0 0 "[ . 1 . 2]" 1
1022 1 36 THR H 1 49 GLN H 0.000 . 4.690 4.259 3.897 4.650 . 0 0 "[ . 1 . 2]" 1
1023 1 35 LEU HA 1 36 THR H 0.000 . 3.340 2.149 2.139 2.161 . 0 0 "[ . 1 . 2]" 1
1024 1 19 THR HA 1 36 THR H 0.000 . 5.050 4.912 4.849 4.974 . 0 0 "[ . 1 . 2]" 1
1025 1 36 THR H 1 36 THR HB 0.000 . 3.600 2.662 2.589 2.711 . 0 0 "[ . 1 . 2]" 1
1026 1 36 THR H 1 48 ILE HA 0.000 . 4.540 3.516 2.752 3.881 . 0 0 "[ . 1 . 2]" 1
1027 1 36 THR H 1 47 ILE HB 0.000 . 3.930 3.751 3.391 4.045 0.115 16 0 "[ . 1 . 2]" 1
1028 1 34 ALA MB 1 36 THR H 0.000 . 5.330 4.802 4.616 4.946 . 0 0 "[ . 1 . 2]" 1
1029 1 36 THR H 1 36 THR MG 0.000 . 4.570 3.859 3.831 3.880 . 0 0 "[ . 1 . 2]" 1
1030 1 35 LEU QD 1 36 THR H 0.000 . 4.560 3.698 3.224 4.351 . 0 0 "[ . 1 . 2]" 1
1031 1 36 THR H 1 47 ILE MG 0.000 . 5.010 4.370 4.098 4.514 . 0 0 "[ . 1 . 2]" 1
1032 1 36 THR H 1 46 LEU QD 0.000 . 4.000 2.686 2.452 2.971 . 0 0 "[ . 1 . 2]" 1
1033 1 35 LEU QB 1 36 THR H 0.000 . 3.770 3.312 3.159 3.436 . 0 0 "[ . 1 . 2]" 1
1034 1 35 LEU H 1 36 THR H 0.000 . 4.490 4.397 4.275 4.478 . 0 0 "[ . 1 . 2]" 1
1035 1 20 VAL H 1 35 LEU H 0.000 . 3.690 3.599 3.365 3.716 0.026 15 0 "[ . 1 . 2]" 1
1036 1 34 ALA H 1 35 LEU H 0.000 . 4.650 4.248 4.145 4.339 . 0 0 "[ . 1 . 2]" 1
1037 1 19 THR HA 1 35 LEU H 0.000 . 5.500 5.413 5.135 5.504 0.004 15 0 "[ . 1 . 2]" 1
1038 1 35 LEU H 1 36 THR HA 0.000 . 5.400 5.104 4.960 5.249 . 0 0 "[ . 1 . 2]" 1
1039 1 34 ALA HA 1 35 LEU H 0.000 . 3.140 2.175 2.116 2.220 . 0 0 "[ . 1 . 2]" 1
1040 1 35 LEU H 1 48 ILE HA 0.000 . 5.500 5.393 4.836 5.634 0.134 10 0 "[ . 1 . 2]" 1
1041 1 35 LEU H 1 49 GLN QB 0.000 . 5.500 5.310 4.933 5.542 0.042 3 0 "[ . 1 . 2]" 1
1042 1 20 VAL HB 1 35 LEU H 0.000 . 5.130 4.593 3.554 5.253 0.123 3 0 "[ . 1 . 2]" 1
1043 1 34 ALA MB 1 35 LEU H 0.000 . 3.820 2.956 2.772 3.259 . 0 0 "[ . 1 . 2]" 1
1044 1 20 VAL QG 1 35 LEU H 0.000 . 4.390 2.695 2.185 3.755 . 0 0 "[ . 1 . 2]" 1
1045 1 35 LEU H 1 48 ILE MG 0.000 . 6.000 5.283 4.027 5.624 . 0 0 "[ . 1 . 2]" 1
1046 1 35 LEU H 1 35 LEU QB 0.000 . 3.720 2.495 2.269 2.600 . 0 0 "[ . 1 . 2]" 1
1047 1 35 LEU H 1 35 LEU HG 0.000 . 4.040 2.755 2.266 4.055 0.015 12 0 "[ . 1 . 2]" 1
1048 1 34 ALA H 1 34 ALA MB 0.000 . 3.670 2.672 2.504 2.780 . 0 0 "[ . 1 . 2]" 1
1049 1 34 ALA H 1 48 ILE MG 0.000 . 4.560 3.724 2.882 4.247 . 0 0 "[ . 1 . 2]" 1
1050 1 33 CYS H 1 34 ALA MB 0.000 . 5.550 4.765 4.618 4.962 . 0 0 "[ . 1 . 2]" 1
1051 1 33 CYS H 1 34 ALA H 0.000 . 4.630 4.366 4.329 4.399 . 0 0 "[ . 1 . 2]" 1
1052 1 23 MET HA 1 31 GLU H 0.000 . 5.070 4.964 4.728 5.127 0.057 17 0 "[ . 1 . 2]" 1
1053 1 30 ARG HA 1 31 GLU H 0.000 . 3.240 2.428 2.415 2.443 . 0 0 "[ . 1 . 2]" 1
1054 1 25 MET HA 1 31 GLU H 0.000 . 4.360 3.488 3.292 4.053 . 0 0 "[ . 1 . 2]" 1
1055 1 31 GLU H 1 32 PRO QD 0.000 . 4.420 4.236 4.094 4.289 . 0 0 "[ . 1 . 2]" 1
1056 1 30 ARG QD 1 31 GLU H 0.000 . 4.000 4.127 4.096 4.275 0.275 1 0 "[ . 1 . 2]" 1
1057 1 31 GLU H 1 31 GLU QG 0.000 . 3.700 2.366 2.112 3.869 0.169 5 0 "[ . 1 . 2]" 1
1058 1 24 GLU QB 1 31 GLU H 0.000 . 3.810 3.271 2.938 3.508 . 0 0 "[ . 1 . 2]" 1
1059 1 24 GLU QG 1 31 GLU H 0.000 . 4.040 4.029 3.647 4.142 0.102 1 0 "[ . 1 . 2]" 1
1060 1 30 ARG QB 1 31 GLU H 0.000 . 3.360 2.283 2.169 2.313 . 0 0 "[ . 1 . 2]" 1
1061 1 23 MET QB 1 31 GLU H 0.000 . 4.960 4.430 4.010 4.776 . 0 0 "[ . 1 . 2]" 1
1062 1 30 ARG H 1 31 GLU H 0.000 . 4.590 4.461 4.431 4.541 . 0 0 "[ . 1 . 2]" 1
1063 1 29 LEU HA 1 30 ARG H 0.000 . 2.750 2.660 2.554 2.774 0.024 16 0 "[ . 1 . 2]" 1
1064 1 91 VAL HA 1 92 GLN H 0.000 . 3.400 2.149 2.139 2.161 . 0 0 "[ . 1 . 2]" 1
1065 1 30 ARG H 1 30 ARG QD 0.000 . 3.960 4.151 4.063 4.211 0.251 9 0 "[ . 1 . 2]" 1
1066 1 29 LEU QB 1 30 ARG H 0.000 . 2.850 1.966 1.800 2.146 . 0 0 "[ . 1 . 2]" 1
1067 1 30 ARG H 1 30 ARG QG 0.000 . 3.120 2.176 2.079 2.709 . 0 0 "[ . 1 . 2]" 1
1068 1 91 VAL QG 1 92 GLN H 0.000 . 3.670 2.484 2.404 2.542 . 0 0 "[ . 1 . 2]" 1
1069 1 91 VAL HB 1 92 GLN H 0.000 . 4.080 4.135 4.091 4.209 0.129 19 0 "[ . 1 . 2]" 1
1070 1 50 LEU H 1 51 HIS H 0.000 . 4.580 4.418 4.238 4.481 . 0 0 "[ . 1 . 2]" 1
1071 1 50 LEU QB 1 51 HIS H 0.000 . 4.160 3.279 3.131 3.569 . 0 0 "[ . 1 . 2]" 1
1072 1 50 LEU HG 1 51 HIS H 0.000 . 5.200 4.010 3.713 5.158 . 0 0 "[ . 1 . 2]" 1
1073 1 33 CYS HA 1 50 LEU H 0.000 . 5.060 4.931 4.770 5.102 0.042 16 0 "[ . 1 . 2]" 1
1074 1 49 GLN HA 1 50 LEU H 0.000 . 3.080 2.143 2.127 2.156 . 0 0 "[ . 1 . 2]" 1
1075 1 50 LEU H 1 50 LEU QB 0.000 . 3.160 2.315 2.256 2.361 . 0 0 "[ . 1 . 2]" 1
1076 1 49 GLN HE21 1 50 LEU H 0.000 . 5.500 5.555 5.511 5.596 0.096 7 0 "[ . 1 . 2]" 1
1077 1 49 GLN QB 1 50 LEU H 0.000 . 3.600 3.181 3.089 3.358 . 0 0 "[ . 1 . 2]" 1
1078 1 49 GLN H 1 49 GLN QG 0.000 . 3.380 2.706 2.134 2.958 . 0 0 "[ . 1 . 2]" 1
1079 1 49 GLN H 1 49 GLN QB 0.000 . 3.530 2.422 2.301 2.541 . 0 0 "[ . 1 . 2]" 1
1080 1 33 CYS QB 1 49 GLN H 0.000 . 4.630 4.126 3.764 4.772 0.142 3 0 "[ . 1 . 2]" 1
1081 1 48 ILE HA 1 49 GLN H 0.000 . 3.440 2.150 2.137 2.177 . 0 0 "[ . 1 . 2]" 1
1082 1 48 ILE H 1 49 GLN H 0.000 . 4.520 4.366 4.299 4.462 . 0 0 "[ . 1 . 2]" 1
1083 1 34 ALA MB 1 49 GLN H 0.000 . 4.530 3.618 3.145 4.003 . 0 0 "[ . 1 . 2]" 1
1084 1 47 ILE MG 1 49 GLN H 0.000 . 4.690 4.008 3.855 4.278 . 0 0 "[ . 1 . 2]" 1
1085 1 48 ILE MG 1 49 GLN H 0.000 . 4.070 2.853 2.595 2.983 . 0 0 "[ . 1 . 2]" 1
1086 1 40 ARG H 1 43 GLN H 0.000 . 3.230 3.065 2.955 3.215 . 0 0 "[ . 1 . 2]" 1
1087 1 42 GLY H 1 43 GLN H 0.000 . 3.330 2.515 2.464 2.542 . 0 0 "[ . 1 . 2]" 1
1088 1 41 ASN H 1 42 GLY H 0.000 . 4.760 2.721 2.684 2.754 . 0 0 "[ . 1 . 2]" 1
1089 1 40 ARG H 1 42 GLY H 0.000 . 4.340 4.322 4.226 4.386 0.046 2 0 "[ . 1 . 2]" 1
1090 1 39 GLN H 1 40 ARG H 0.000 . 4.630 4.373 4.151 4.473 . 0 0 "[ . 1 . 2]" 1
1091 1 40 ARG H 1 41 ASN H 0.000 . 5.040 4.342 4.299 4.390 . 0 0 "[ . 1 . 2]" 1
1092 1 40 ARG H 1 44 TYR HA 0.000 . 3.930 3.610 3.444 3.848 . 0 0 "[ . 1 . 2]" 1
1093 1 39 GLN HA 1 40 ARG H 0.000 . 2.920 2.187 2.165 2.207 . 0 0 "[ . 1 . 2]" 1
1094 1 40 ARG H 1 43 GLN HA 0.000 . 4.940 4.872 4.784 4.953 0.013 17 0 "[ . 1 . 2]" 1
1095 1 40 ARG H 1 43 GLN QG 0.000 . 4.050 4.180 4.153 4.201 0.151 16 0 "[ . 1 . 2]" 1
1096 1 14 ALA MB 1 40 ARG H 0.000 . 5.710 5.231 4.661 5.670 . 0 0 "[ . 1 . 2]" 1
1097 1 40 ARG H 1 40 ARG QB 0.000 . 3.610 2.650 2.564 3.137 . 0 0 "[ . 1 . 2]" 1
1098 1 39 GLN QG 1 40 ARG H 0.000 . 3.330 2.879 2.722 3.022 . 0 0 "[ . 1 . 2]" 1
1099 1 89 ILE H 1 101 PHE H 0.000 . 3.730 3.370 3.078 3.655 . 0 0 "[ . 1 . 2]" 1
1100 1 39 GLN HE21 1 42 GLY H 0.000 . 5.230 3.793 3.236 4.763 . 0 0 "[ . 1 . 2]" 1
1101 1 41 ASN HA 1 42 GLY H 0.000 . 3.470 2.915 2.892 2.978 . 0 0 "[ . 1 . 2]" 1
1102 1 41 ASN QB 1 42 GLY H 0.000 . 4.480 3.833 3.782 3.846 . 0 0 "[ . 1 . 2]" 1
1103 1 15 GLN QG 1 42 GLY H 0.000 . 5.050 5.136 5.097 5.190 0.140 11 0 "[ . 1 . 2]" 1
1104 1 42 GLY H 1 43 GLN QB 0.000 . 5.020 4.449 4.383 4.495 . 0 0 "[ . 1 . 2]" 1
1105 1 39 GLN QG 1 42 GLY H 0.000 . 4.200 3.263 3.030 3.767 . 0 0 "[ . 1 . 2]" 1
1106 1 40 ARG QB 1 42 GLY H 0.000 . 5.500 5.004 4.687 5.071 . 0 0 "[ . 1 . 2]" 1
1107 1 40 ARG QG 1 42 GLY H 0.000 . 4.770 4.658 4.552 4.889 0.119 11 0 "[ . 1 . 2]" 1
1108 1 43 GLN H 1 44 TYR HA 0.000 . 5.150 4.848 4.796 5.009 . 0 0 "[ . 1 . 2]" 1
1109 1 39 GLN HA 1 43 GLN H 0.000 . 4.730 4.349 4.201 4.537 . 0 0 "[ . 1 . 2]" 1
1110 1 40 ARG HA 1 43 GLN H 0.000 . 4.330 4.191 4.111 4.291 . 0 0 "[ . 1 . 2]" 1
1111 1 42 GLY QA 1 43 GLN H 0.000 . 3.490 2.842 2.811 2.915 . 0 0 "[ . 1 . 2]" 1
1112 1 41 ASN QB 1 43 GLN H 0.000 . 3.890 3.632 3.316 3.757 . 0 0 "[ . 1 . 2]" 1
1113 1 43 GLN H 1 43 GLN QG 0.000 . 3.860 3.954 3.925 3.997 0.137 18 0 "[ . 1 . 2]" 1
1114 1 43 GLN H 1 43 GLN QB 0.000 . 3.020 2.487 2.348 2.545 . 0 0 "[ . 1 . 2]" 1
1115 1 39 GLN QG 1 43 GLN H 0.000 . 3.840 2.886 2.748 3.156 . 0 0 "[ . 1 . 2]" 1
1116 1 40 ARG QB 1 43 GLN H 0.000 . 5.440 4.506 4.386 4.854 . 0 0 "[ . 1 . 2]" 1
1117 1 39 GLN HA 1 44 TYR H 0.000 . 5.110 4.773 4.680 4.868 . 0 0 "[ . 1 . 2]" 1
1118 1 43 GLN HA 1 44 TYR H 0.000 . 2.890 2.299 2.193 2.372 . 0 0 "[ . 1 . 2]" 1
1119 1 44 TYR H 1 44 TYR QB 0.000 . 3.190 2.363 2.303 2.470 . 0 0 "[ . 1 . 2]" 1
1120 1 43 GLN QG 1 44 TYR H 0.000 . 3.200 2.256 1.882 3.004 . 0 0 "[ . 1 . 2]" 1
1121 1 39 GLN QG 1 44 TYR H 0.000 . 5.500 4.140 3.942 4.609 . 0 0 "[ . 1 . 2]" 1
1122 1 44 TYR H 1 45 GLU QB 0.000 . 5.500 5.032 4.911 5.188 . 0 0 "[ . 1 . 2]" 1
1123 1 44 TYR H 1 63 ILE HB 0.000 . 4.250 4.244 4.046 4.318 0.068 13 0 "[ . 1 . 2]" 1
1124 1 44 TYR H 1 63 ILE MD 0.000 . 5.110 4.755 4.525 4.927 . 0 0 "[ . 1 . 2]" 1
1125 1 44 TYR H 1 63 ILE MG 0.000 . 5.490 4.938 4.756 5.106 . 0 0 "[ . 1 . 2]" 1
1126 1 44 TYR H 1 119 ALA MB 0.000 . 5.280 4.945 4.685 5.121 . 0 0 "[ . 1 . 2]" 1
1127 1 45 GLU H 1 63 ILE MG 0.000 . 6.000 5.432 5.254 5.640 . 0 0 "[ . 1 . 2]" 1
1128 1 37 LEU QD 1 45 GLU H 0.000 . 3.860 2.981 2.835 3.077 . 0 0 "[ . 1 . 2]" 1
1129 1 38 ALA MB 1 45 GLU H 0.000 . 4.840 4.200 3.935 4.344 . 0 0 "[ . 1 . 2]" 1
1130 1 37 LEU HG 1 45 GLU H 0.000 . 5.030 4.741 4.394 4.929 . 0 0 "[ . 1 . 2]" 1
1131 1 45 GLU H 1 63 ILE HB 0.000 . 5.300 4.432 4.231 4.629 . 0 0 "[ . 1 . 2]" 1
1132 1 45 GLU H 1 45 GLU QG 0.000 . 3.250 2.353 2.289 2.421 . 0 0 "[ . 1 . 2]" 1
1133 1 45 GLU H 1 45 GLU QB 0.000 . 3.690 3.120 3.090 3.160 . 0 0 "[ . 1 . 2]" 1
1134 1 44 TYR QB 1 45 GLU H 0.000 . 3.430 3.099 3.022 3.186 . 0 0 "[ . 1 . 2]" 1
1135 1 43 GLN QG 1 45 GLU H 0.000 . 4.700 4.421 4.304 4.573 . 0 0 "[ . 1 . 2]" 1
1136 1 45 GLU H 1 62 PRO HA 0.000 . 5.500 5.093 4.909 5.401 . 0 0 "[ . 1 . 2]" 1
1137 1 45 GLU H 1 46 LEU H 0.000 . 4.310 4.331 4.290 4.373 0.063 6 0 "[ . 1 . 2]" 1
1138 1 45 GLU HA 1 46 LEU H 0.000 . 3.360 2.205 2.187 2.239 . 0 0 "[ . 1 . 2]" 1
1139 1 46 LEU H 1 62 PRO HA 0.000 . 4.190 3.094 2.866 3.481 . 0 0 "[ . 1 . 2]" 1
1140 1 46 LEU H 1 63 ILE MG 0.000 . 5.610 5.136 5.013 5.270 . 0 0 "[ . 1 . 2]" 1
1141 1 46 LEU H 1 46 LEU QD 0.000 . 4.710 3.809 3.639 3.853 . 0 0 "[ . 1 . 2]" 1
1142 1 46 LEU H 1 46 LEU QB 0.000 . 3.530 2.352 2.319 2.409 . 0 0 "[ . 1 . 2]" 1
1143 1 46 LEU H 1 46 LEU HG 0.000 . 5.000 4.409 4.311 4.781 . 0 0 "[ . 1 . 2]" 1
1144 1 46 LEU H 1 63 ILE HB 0.000 . 5.320 4.604 4.495 4.795 . 0 0 "[ . 1 . 2]" 1
1145 1 45 GLU QB 1 46 LEU H 0.000 . 3.500 2.888 2.791 2.957 . 0 0 "[ . 1 . 2]" 1
1146 1 46 LEU HA 1 47 ILE H 0.000 . 3.250 2.155 2.145 2.164 . 0 0 "[ . 1 . 2]" 1
1147 1 36 THR HB 1 47 ILE H 0.000 . 4.200 3.814 3.619 4.038 . 0 0 "[ . 1 . 2]" 1
1148 1 46 LEU H 1 47 ILE H 0.000 . 4.600 4.400 4.332 4.448 . 0 0 "[ . 1 . 2]" 1
1149 1 47 ILE H 1 48 ILE H 0.000 . 4.660 4.400 4.293 4.465 . 0 0 "[ . 1 . 2]" 1
1150 1 47 ILE H 1 63 ILE MD 0.000 . 6.000 5.397 5.084 5.597 . 0 0 "[ . 1 . 2]" 1
1151 1 47 ILE H 1 47 ILE MG 0.000 . 4.730 3.810 3.785 3.835 . 0 0 "[ . 1 . 2]" 1
1152 1 47 ILE H 1 47 ILE MD 0.000 . 4.970 3.678 3.578 3.780 . 0 0 "[ . 1 . 2]" 1
1153 1 46 LEU QD 1 47 ILE H 0.000 . 3.970 2.120 1.704 2.368 . 0 0 "[ . 1 . 2]" 1
1154 1 36 THR MG 1 47 ILE H 0.000 . 5.240 4.154 3.939 4.352 . 0 0 "[ . 1 . 2]" 1
1155 1 38 ALA MB 1 47 ILE H 0.000 . 5.930 4.226 3.808 4.742 . 0 0 "[ . 1 . 2]" 1
1156 1 46 LEU QB 1 47 ILE H 0.000 . 4.420 3.803 3.606 3.883 . 0 0 "[ . 1 . 2]" 1
1157 1 46 LEU HG 1 47 ILE H 0.000 . 4.020 3.381 3.170 4.328 0.308 6 0 "[ . 1 . 2]" 1
1158 1 47 ILE H 1 47 ILE HB 0.000 . 3.650 2.544 2.489 2.601 . 0 0 "[ . 1 . 2]" 1
1159 1 45 GLU QG 1 47 ILE H 0.000 . 4.700 4.419 4.084 4.682 . 0 0 "[ . 1 . 2]" 1
1160 1 49 GLN H 1 50 LEU H 0.000 . 4.700 4.429 4.298 4.509 . 0 0 "[ . 1 . 2]" 1
1161 1 48 ILE H 1 59 ASP H 0.000 . 4.210 3.488 3.190 3.834 . 0 0 "[ . 1 . 2]" 1
1162 1 46 LEU H 1 61 ILE H 0.000 . 4.190 4.036 3.701 4.187 . 0 0 "[ . 1 . 2]" 1
1163 1 47 ILE HA 1 61 ILE H 0.000 . 3.950 2.900 2.531 3.257 . 0 0 "[ . 1 . 2]" 1
1164 1 47 ILE HA 1 48 ILE H 0.000 . 3.240 2.160 2.152 2.173 . 0 0 "[ . 1 . 2]" 1
1165 1 48 ILE H 1 59 ASP QB 0.000 . 4.100 3.156 2.696 3.750 . 0 0 "[ . 1 . 2]" 1
1166 1 48 ILE H 1 59 ASP HA 0.000 . 4.930 4.942 4.826 5.019 0.089 14 0 "[ . 1 . 2]" 1
1167 1 48 ILE H 1 61 ILE HB 0.000 . 4.810 4.737 4.372 4.888 0.078 14 0 "[ . 1 . 2]" 1
1168 1 48 ILE H 1 48 ILE HB 0.000 . 3.510 2.561 2.500 2.658 . 0 0 "[ . 1 . 2]" 1
1169 1 47 ILE HB 1 48 ILE H 0.000 . 4.480 4.229 4.153 4.313 . 0 0 "[ . 1 . 2]" 1
1170 1 48 ILE H 1 48 ILE QG 0.000 . 3.300 2.429 2.175 2.547 . 0 0 "[ . 1 . 2]" 1
1171 1 47 ILE MG 1 48 ILE H 0.000 . 3.680 2.732 2.533 2.949 . 0 0 "[ . 1 . 2]" 1
1172 1 51 HIS H 1 52 GLU H 0.000 . 4.320 3.162 2.549 4.215 . 0 0 "[ . 1 . 2]" 1
1173 1 51 HIS QB 1 52 GLU H 0.000 . 4.680 3.810 3.133 4.001 . 0 0 "[ . 1 . 2]" 1
1174 1 53 LYS H 1 53 LYS QE 0.000 . 5.100 4.509 4.076 4.924 . 0 0 "[ . 1 . 2]" 1
1175 1 53 LYS H 1 53 LYS QG 0.000 . 4.340 2.125 1.947 2.221 . 0 0 "[ . 1 . 2]" 1
1176 1 52 GLU H 1 52 GLU QG 0.000 . 3.990 2.601 1.842 4.133 0.143 4 0 "[ . 1 . 2]" 1
1177 1 53 LYS H 1 53 LYS QD 0.000 . 4.230 3.623 3.177 3.809 . 0 0 "[ . 1 . 2]" 1
1178 1 53 LYS H 1 53 LYS QB 0.000 . 3.810 2.444 2.386 2.546 . 0 0 "[ . 1 . 2]" 1
1179 1 53 LYS QG 1 54 GLU H 0.000 . 4.020 3.948 2.098 4.096 0.076 7 0 "[ . 1 . 2]" 1
1180 1 53 LYS QD 1 54 GLU H 0.000 . 4.760 4.732 4.214 4.819 0.059 12 0 "[ . 1 . 2]" 1
1181 1 52 GLU QB 1 54 GLU H 0.000 . 3.440 2.920 2.561 3.532 0.092 20 0 "[ . 1 . 2]" 1
1182 1 54 GLU H 1 54 GLU QG 0.000 . 3.570 2.112 1.739 3.148 . 0 0 "[ . 1 . 2]" 1
1183 1 53 LYS QB 1 54 GLU H 0.000 . 3.710 2.644 2.560 3.459 . 0 0 "[ . 1 . 2]" 1
1184 1 53 LYS H 1 54 GLU H 0.000 . 4.410 2.663 2.625 2.686 . 0 0 "[ . 1 . 2]" 1
1185 1 52 GLU H 1 53 LYS H 0.000 . 4.700 4.612 4.220 4.656 . 0 0 "[ . 1 . 2]" 1
1186 1 54 GLU H 1 55 GLN H 0.000 . 3.840 2.839 1.608 3.466 . 0 0 "[ . 1 . 2]" 1
1187 1 52 GLU QB 1 55 GLN H 0.000 . 3.510 2.749 2.410 3.529 0.019 14 0 "[ . 1 . 2]" 1
1188 1 98 GLU H 1 98 GLU QB 0.000 . 3.320 2.550 2.253 3.282 . 0 0 "[ . 1 . 2]" 1
1189 1 68 ARG H 1 91 VAL QG 0.000 . 4.450 3.185 2.763 3.534 . 0 0 "[ . 1 . 2]" 1
1190 1 87 CYS QB 1 88 LYS H 0.000 . 3.650 3.078 2.870 3.227 . 0 0 "[ . 1 . 2]" 1
1191 1 88 LYS H 1 89 ILE MG 0.000 . 4.980 3.953 3.775 4.391 . 0 0 "[ . 1 . 2]" 1
1192 1 88 LYS H 1 88 LYS QG 0.000 . 3.680 2.707 2.111 2.908 . 0 0 "[ . 1 . 2]" 1
1193 1 88 LYS H 1 88 LYS QD 0.000 . 3.990 4.078 3.994 4.122 0.132 4 0 "[ . 1 . 2]" 1
1194 1 88 LYS H 1 88 LYS QB 0.000 . 3.460 2.579 2.455 3.057 . 0 0 "[ . 1 . 2]" 1
1195 1 71 GLN QG 1 88 LYS H 0.000 . 4.590 3.308 2.872 4.050 . 0 0 "[ . 1 . 2]" 1
1196 1 87 CYS HA 1 88 LYS H 0.000 . 3.150 2.186 2.154 2.240 . 0 0 "[ . 1 . 2]" 1
1197 1 72 GLU H 1 88 LYS H 0.000 . 4.450 4.080 3.354 4.502 0.052 11 0 "[ . 1 . 2]" 1
1198 1 87 CYS H 1 88 LYS H 0.000 . 4.990 4.551 4.520 4.585 . 0 0 "[ . 1 . 2]" 1
1199 1 88 LYS H 1 89 ILE H 0.000 . 4.530 4.349 4.234 4.481 . 0 0 "[ . 1 . 2]" 1
1200 1 88 LYS HA 1 89 ILE H 0.000 . 3.240 2.186 2.151 2.314 . 0 0 "[ . 1 . 2]" 1
1201 1 89 ILE H 1 102 GLU HA 0.000 . 4.060 3.459 3.139 3.762 . 0 0 "[ . 1 . 2]" 1
1202 1 89 ILE H 1 103 ILE H 0.000 . 5.280 4.897 4.676 5.286 0.006 1 0 "[ . 1 . 2]" 1
1203 1 89 ILE H 1 90 ARG HA 0.000 . 5.350 4.896 4.840 4.955 . 0 0 "[ . 1 . 2]" 1
1204 1 89 ILE H 1 100 ARG HA 0.000 . 5.500 5.245 4.881 5.597 0.097 5 0 "[ . 1 . 2]" 1
1205 1 89 ILE H 1 89 ILE MD 0.000 . 4.660 3.740 3.430 3.960 . 0 0 "[ . 1 . 2]" 1
1206 1 89 ILE H 1 89 ILE QG 0.000 . 3.800 2.069 1.814 2.263 . 0 0 "[ . 1 . 2]" 1
1207 1 88 LYS QG 1 89 ILE H 0.000 . 4.470 4.118 3.893 4.261 . 0 0 "[ . 1 . 2]" 1
1208 1 89 ILE H 1 90 ARG QG 0.000 . 5.500 4.616 4.257 5.673 0.173 19 0 "[ . 1 . 2]" 1
1209 1 88 LYS QB 1 89 ILE H 0.000 . 3.510 3.203 2.722 3.475 . 0 0 "[ . 1 . 2]" 1
1210 1 25 MET ME 1 89 ILE H 0.000 . 4.910 4.533 3.879 4.981 0.071 8 0 "[ . 1 . 2]" 1
1211 1 89 ILE H 1 102 GLU QB 0.000 . 5.500 4.730 4.103 5.064 . 0 0 "[ . 1 . 2]" 1
1212 1 89 ILE H 1 101 PHE QB 0.000 . 4.440 3.252 2.904 3.778 . 0 0 "[ . 1 . 2]" 1
1213 1 89 ILE HA 1 90 ARG H 0.000 . 3.390 2.291 2.148 2.444 . 0 0 "[ . 1 . 2]" 1
1214 1 69 CYS HA 1 90 ARG H 0.000 . 4.610 3.993 3.349 4.649 0.039 7 0 "[ . 1 . 2]" 1
1215 1 71 GLN HA 1 90 ARG H 0.000 . 4.170 4.080 3.882 4.258 0.088 1 0 "[ . 1 . 2]" 1
1216 1 70 VAL H 1 90 ARG H 0.000 . 3.810 2.718 2.375 3.132 . 0 0 "[ . 1 . 2]" 1
1217 1 90 ARG H 1 90 ARG QD 0.000 . 4.850 3.385 1.984 4.385 . 0 0 "[ . 1 . 2]" 1
1218 1 90 ARG H 1 90 ARG QB 0.000 . 3.360 2.637 2.470 2.798 . 0 0 "[ . 1 . 2]" 1
1219 1 89 ILE HB 1 90 ARG H 0.000 . 3.460 2.777 2.286 3.356 . 0 0 "[ . 1 . 2]" 1
1220 1 70 VAL HB 1 90 ARG H 0.000 . 4.930 4.840 4.579 4.978 0.048 17 0 "[ . 1 . 2]" 1
1221 1 89 ILE MG 1 90 ARG H 0.000 . 4.200 3.821 3.648 4.044 . 0 0 "[ . 1 . 2]" 1
1222 1 89 ILE MD 1 90 ARG H 0.000 . 4.830 3.953 2.858 4.799 . 0 0 "[ . 1 . 2]" 1
1223 1 90 ARG H 1 101 PHE QB 0.000 . 5.500 5.448 5.126 5.747 0.247 19 0 "[ . 1 . 2]" 1
1224 1 90 ARG QD 1 91 VAL H 0.000 . 5.340 4.849 1.969 5.406 0.066 18 0 "[ . 1 . 2]" 1
1225 1 91 VAL H 1 91 VAL QG 0.000 . 3.960 2.704 2.580 2.833 . 0 0 "[ . 1 . 2]" 1
1226 1 91 VAL H 1 92 GLN H 0.000 . 4.820 4.398 4.352 4.430 . 0 0 "[ . 1 . 2]" 1
1227 1 91 VAL H 1 99 ARG H 0.000 . 4.280 3.221 2.768 3.700 . 0 0 "[ . 1 . 2]" 1
1228 1 91 VAL H 1 101 PHE H 0.000 . 4.980 5.017 4.916 5.117 0.137 18 0 "[ . 1 . 2]" 1
1229 1 90 ARG H 1 91 VAL H 0.000 . 4.820 4.424 4.199 4.541 . 0 0 "[ . 1 . 2]" 1
1230 1 90 ARG HA 1 91 VAL H 0.000 . 3.320 2.192 2.121 2.238 . 0 0 "[ . 1 . 2]" 1
1231 1 91 VAL H 1 98 GLU HA 0.000 . 5.500 4.644 4.361 5.307 . 0 0 "[ . 1 . 2]" 1
1232 1 91 VAL H 1 99 ARG HA 0.000 . 5.500 5.139 4.765 5.503 0.003 12 0 "[ . 1 . 2]" 1
1233 1 91 VAL H 1 100 ARG QG 0.000 . 4.710 4.565 3.869 4.825 0.115 4 0 "[ . 1 . 2]" 1
1234 1 90 ARG QG 1 91 VAL H 0.000 . 5.370 4.117 3.590 4.691 . 0 0 "[ . 1 . 2]" 1
1235 1 90 ARG QB 1 91 VAL H 0.000 . 3.860 2.948 2.793 3.657 . 0 0 "[ . 1 . 2]" 1
1236 1 91 VAL H 1 91 VAL HB 0.000 . 3.650 2.575 2.478 2.654 . 0 0 "[ . 1 . 2]" 1
1237 1 99 ARG H 1 99 ARG QD 0.000 . 4.680 4.443 3.997 4.846 0.166 1 0 "[ . 1 . 2]" 1
1238 1 96 ILE MD 1 99 ARG H 0.000 . 5.520 4.480 2.703 5.488 . 0 0 "[ . 1 . 2]" 1
1239 1 99 ARG H 1 100 ARG QG 0.000 . 4.930 4.454 3.749 4.963 0.033 12 0 "[ . 1 . 2]" 1
1240 1 99 ARG H 1 99 ARG QG 0.000 . 4.340 3.005 2.682 3.168 . 0 0 "[ . 1 . 2]" 1
1241 1 98 GLU QB 1 99 ARG H 0.000 . 3.880 3.599 2.933 3.996 0.116 10 0 "[ . 1 . 2]" 1
1242 1 98 GLU HA 1 99 ARG H 0.000 . 3.410 2.146 2.120 2.226 . 0 0 "[ . 1 . 2]" 1
1243 1 99 ARG H 1 100 ARG H 0.000 . 4.570 4.359 4.199 4.489 . 0 0 "[ . 1 . 2]" 1
1244 1 100 ARG H 1 101 PHE H 0.000 . 4.640 4.544 4.460 4.624 . 0 0 "[ . 1 . 2]" 1
1245 1 100 ARG H 1 100 ARG QD 0.000 . 4.170 4.022 3.816 4.296 0.126 19 0 "[ . 1 . 2]" 1
1246 1 99 ARG HA 1 100 ARG H 0.000 . 3.320 2.254 2.185 2.404 . 0 0 "[ . 1 . 2]" 1
1247 1 100 ARG H 1 100 ARG QG 0.000 . 3.330 2.683 2.352 3.036 . 0 0 "[ . 1 . 2]" 1
1248 1 25 MET QB 1 100 ARG H 0.000 . 4.640 4.279 4.096 4.461 . 0 0 "[ . 1 . 2]" 1
1249 1 71 GLN HE22 1 87 CYS HA 0.000 . 5.500 4.098 3.093 5.298 . 0 0 "[ . 1 . 2]" 1
1250 1 71 GLN HE22 1 87 CYS QB 0.000 . 5.100 2.395 1.852 3.149 . 0 0 "[ . 1 . 2]" 1
1251 1 71 GLN HE22 1 71 GLN QG 0.000 . 3.690 3.310 3.260 3.442 . 0 0 "[ . 1 . 2]" 1
1252 1 71 GLN HE21 1 87 CYS HA 0.000 . 5.500 3.608 2.573 5.396 . 0 0 "[ . 1 . 2]" 1
1253 1 71 GLN HE21 1 87 CYS QB 0.000 . 5.100 2.396 1.657 3.347 . 0 0 "[ . 1 . 2]" 1
1254 1 58 GLN HE21 1 60 ILE MD 0.000 . 5.860 4.236 1.738 5.818 . 0 0 "[ . 1 . 2]" 1
1255 1 47 ILE MG 1 58 GLN HE22 0.000 . 5.010 3.915 2.209 5.033 0.023 7 0 "[ . 1 . 2]" 1
1256 1 58 GLN HE22 1 60 ILE MD 0.000 . 5.860 4.439 2.539 5.801 . 0 0 "[ . 1 . 2]" 1
1257 1 10 LEU HA 1 58 GLN HE22 0.000 . 4.420 2.700 1.765 4.051 . 0 0 "[ . 1 . 2]" 1
1258 1 10 LEU HA 1 58 GLN HE21 0.000 . 4.420 2.954 1.807 4.425 0.005 2 0 "[ . 1 . 2]" 1
1259 1 9 PRO QB 1 49 GLN HE21 0.000 . 3.930 2.540 1.903 3.212 . 0 0 "[ . 1 . 2]" 1
1260 1 49 GLN HA 1 49 GLN HE21 0.000 . 4.590 4.250 3.724 4.372 . 0 0 "[ . 1 . 2]" 1
1261 1 49 GLN HA 1 49 GLN HE22 0.000 . 5.500 5.247 3.857 5.598 0.098 2 0 "[ . 1 . 2]" 1
1262 1 9 PRO HA 1 49 GLN HE21 0.000 . 5.500 5.061 4.152 5.546 0.046 9 0 "[ . 1 . 2]" 1
1263 1 10 LEU HA 1 49 GLN HE21 0.000 . 5.500 3.858 2.887 5.089 . 0 0 "[ . 1 . 2]" 1
1264 1 9 PRO HA 1 49 GLN HE22 0.000 . 5.500 4.752 4.013 5.540 0.040 11 0 "[ . 1 . 2]" 1
1265 1 10 LEU HA 1 49 GLN HE22 0.000 . 5.500 3.737 2.222 4.829 . 0 0 "[ . 1 . 2]" 1
1266 1 9 PRO QD 1 49 GLN HE21 0.000 . 5.490 5.022 3.774 5.530 0.040 12 0 "[ . 1 . 2]" 1
1267 1 9 PRO QD 1 49 GLN HE22 0.000 . 5.260 4.205 3.467 5.260 0.000 16 0 "[ . 1 . 2]" 1
1268 1 9 PRO QB 1 49 GLN HE22 0.000 . 4.310 2.346 1.792 3.481 . 0 0 "[ . 1 . 2]" 1
1269 1 9 PRO QG 1 49 GLN HE22 0.000 . 4.130 2.278 1.754 3.643 . 0 0 "[ . 1 . 2]" 1
1270 1 10 LEU HG 1 49 GLN HE21 0.000 . 5.500 4.172 2.649 5.545 0.045 7 0 "[ . 1 . 2]" 1
1271 1 10 LEU HG 1 49 GLN HE22 0.000 . 5.080 3.449 1.960 5.149 0.069 10 0 "[ . 1 . 2]" 1
1272 1 47 ILE MG 1 49 GLN HE21 0.000 . 5.460 4.113 2.306 4.448 . 0 0 "[ . 1 . 2]" 1
1273 1 47 ILE MG 1 49 GLN HE22 0.000 . 5.920 4.609 3.501 5.212 . 0 0 "[ . 1 . 2]" 1
1274 1 43 GLN HE22 1 43 GLN QG 0.000 . 3.760 3.285 3.267 3.461 . 0 0 "[ . 1 . 2]" 1
1275 1 90 ARG HA 1 90 ARG HE 0.000 . 5.290 4.915 3.986 5.455 0.165 20 0 "[ . 1 . 2]" 1
1276 1 61 ILE MD 1 95 TRP HE1 0.000 . 5.440 3.775 1.955 5.386 . 0 0 "[ . 1 . 2]" 1
1277 1 61 ILE MG 1 95 TRP HE1 0.000 . 5.850 3.322 1.750 5.081 . 0 0 "[ . 1 . 2]" 1
1278 1 62 PRO QD 1 95 TRP HE1 0.000 . 5.500 3.416 2.541 4.767 . 0 0 "[ . 1 . 2]" 1
1279 1 101 PHE QD 1 102 GLU H 0.000 . 4.610 3.776 3.521 3.996 . 0 0 "[ . 1 . 2]" 1
1280 1 25 MET H 1 101 PHE H 0.000 . 4.510 4.423 4.278 4.588 0.078 18 0 "[ . 1 . 2]" 1
1281 1 112 PHE H 1 112 PHE QD 0.000 . 4.160 4.138 4.119 4.172 0.012 14 0 "[ . 1 . 2]" 1
1282 1 93 GLY H 1 94 ASP H 0.000 . 5.340 4.357 4.220 4.494 . 0 0 "[ . 1 . 2]" 1
1283 1 64 ASN H 1 67 PHE H 0.000 . 3.460 2.909 2.779 3.226 . 0 0 "[ . 1 . 2]" 1
1284 1 67 PHE H 1 67 PHE QD 0.000 . 4.160 4.021 3.952 4.135 . 0 0 "[ . 1 . 2]" 1
1285 1 44 TYR H 1 44 TYR QE 0.000 . 5.070 4.517 4.301 4.638 . 0 0 "[ . 1 . 2]" 1
1286 1 44 TYR H 1 123 GLN HE21 0.000 . 4.900 3.850 2.329 4.906 0.006 2 0 "[ . 1 . 2]" 1
1287 1 43 GLN HE21 1 44 TYR H 0.000 . 4.810 3.738 1.834 4.697 . 0 0 "[ . 1 . 2]" 1
1288 1 44 TYR H 1 123 GLN HE22 0.000 . 4.900 3.966 3.355 4.664 . 0 0 "[ . 1 . 2]" 1
1289 1 101 PHE H 1 101 PHE QD 0.000 . 4.060 3.180 2.680 3.450 . 0 0 "[ . 1 . 2]" 1
1290 1 101 PHE H 1 101 PHE QE 0.000 . 5.500 5.039 4.757 5.235 . 0 0 "[ . 1 . 2]" 1
1291 1 112 PHE QD 1 113 LEU H 0.000 . 4.160 3.191 3.079 3.556 . 0 0 "[ . 1 . 2]" 1
1292 1 20 VAL H 1 112 PHE QD 0.000 . 5.500 4.703 4.412 5.021 . 0 0 "[ . 1 . 2]" 1
1293 1 44 TYR H 1 44 TYR QD 0.000 . 3.610 2.361 2.008 2.582 . 0 0 "[ . 1 . 2]" 1
1294 1 44 TYR QD 1 119 ALA HA 0.000 . 4.280 3.765 3.590 3.957 . 0 0 "[ . 1 . 2]" 1
1295 1 44 TYR QE 1 119 ALA HA 0.000 . 3.990 3.762 3.409 4.017 0.027 4 0 "[ . 1 . 2]" 1
1296 1 44 TYR QE 1 119 ALA MB 0.000 . 3.780 3.405 2.842 3.760 . 0 0 "[ . 1 . 2]" 1
1297 1 44 TYR QE 1 122 ALA MB 0.000 . 3.680 3.617 3.288 3.705 0.025 9 0 "[ . 1 . 2]" 1
1298 1 44 TYR QD 1 122 ALA MB 0.000 . 4.700 4.357 4.060 4.583 . 0 0 "[ . 1 . 2]" 1
1299 1 39 GLN QG 1 44 TYR QE 0.000 . 3.990 3.934 3.635 4.023 0.033 4 0 "[ . 1 . 2]" 1
1300 1 61 ILE MD 1 95 TRP HZ2 0.000 . 5.580 3.677 2.094 5.633 0.053 1 0 "[ . 1 . 2]" 1
1301 1 108 HIS H 1 108 HIS HD2 0.000 . 3.430 3.318 2.836 3.492 0.062 8 0 "[ . 1 . 2]" 1
1302 1 108 HIS HD2 1 111 LYS QB 0.000 . 4.880 4.690 3.809 4.902 0.022 8 0 "[ . 1 . 2]" 1
1303 1 105 ASP QB 1 108 HIS HD2 0.000 . 4.710 4.487 4.359 4.774 0.064 5 0 "[ . 1 . 2]" 1
1304 1 32 PRO QG 1 51 HIS HD2 0.000 . 4.210 4.109 3.717 4.266 0.056 11 0 "[ . 1 . 2]" 1
1305 1 66 HIS HD2 1 67 PHE H 0.000 . 5.030 4.770 2.302 5.035 0.005 10 0 "[ . 1 . 2]" 1
1306 1 66 HIS H 1 66 HIS HD2 0.000 . 3.810 3.076 2.702 3.779 . 0 0 "[ . 1 . 2]" 1
1307 1 67 PHE QE 1 69 CYS QB 0.000 . 3.650 3.062 2.855 3.298 . 0 0 "[ . 1 . 2]" 1
1308 1 46 LEU QB 1 67 PHE QE 0.000 . 3.890 3.307 2.852 3.618 . 0 0 "[ . 1 . 2]" 1
1309 1 109 CYS HA 1 112 PHE QD 0.000 . 4.460 3.379 2.979 3.989 . 0 0 "[ . 1 . 2]" 1
1310 1 63 ILE HA 1 67 PHE QD 0.000 . 4.090 2.413 2.330 2.728 . 0 0 "[ . 1 . 2]" 1
1311 1 67 PHE QD 1 116 VAL QG 0.000 . 5.350 4.689 4.048 5.041 . 0 0 "[ . 1 . 2]" 1
1312 1 61 ILE MG 1 67 PHE QD 0.000 . 4.270 2.083 2.039 2.192 . 0 0 "[ . 1 . 2]" 1
1313 1 103 ILE MD 1 112 PHE QD 0.000 . 4.840 3.174 2.324 3.893 . 0 0 "[ . 1 . 2]" 1
1314 1 112 PHE QD 1 116 VAL HB 0.000 . 4.960 4.605 4.486 4.859 . 0 0 "[ . 1 . 2]" 1
1315 1 112 PHE HZ 1 116 VAL QG 0.000 . 6.000 2.948 2.753 3.238 . 0 0 "[ . 1 . 2]" 1
1316 1 63 ILE MG 1 67 PHE QE 0.000 . 5.130 3.053 2.937 3.356 . 0 0 "[ . 1 . 2]" 1
1317 1 67 PHE QE 1 116 VAL QG 0.000 . 3.640 2.978 2.316 3.339 . 0 0 "[ . 1 . 2]" 1
1318 1 18 ALA MB 1 112 PHE QD 0.000 . 4.710 3.802 3.153 4.263 . 0 0 "[ . 1 . 2]" 1
1319 1 112 PHE QE 1 116 VAL QG 0.000 . 5.510 2.406 2.235 2.525 . 0 0 "[ . 1 . 2]" 1
1320 1 61 ILE MG 1 67 PHE QE 0.000 . 4.740 3.019 2.270 3.620 . 0 0 "[ . 1 . 2]" 1
1321 1 46 LEU QB 1 67 PHE HZ 0.000 . 4.330 3.334 3.022 3.808 . 0 0 "[ . 1 . 2]" 1
1322 1 24 GLU QB 1 101 PHE QE 0.000 . 3.960 2.642 2.319 3.400 . 0 0 "[ . 1 . 2]" 1
1323 1 91 VAL HB 1 101 PHE QE 0.000 . 3.990 2.431 2.328 2.995 . 0 0 "[ . 1 . 2]" 1
1324 1 48 ILE HB 1 101 PHE HZ 0.000 . 5.110 4.484 4.078 4.845 . 0 0 "[ . 1 . 2]" 1
1325 1 91 VAL HB 1 101 PHE HZ 0.000 . 5.400 4.468 3.961 5.208 . 0 0 "[ . 1 . 2]" 1
1326 1 2 PRO QB 1 3 LEU H 0.000 . 3.710 3.117 2.684 3.487 . 0 0 "[ . 1 . 2]" 1
1327 1 6 MET H 1 6 MET QG 0.000 . 4.230 3.128 2.248 4.098 . 0 0 "[ . 1 . 2]" 1
1328 1 7 GLU QG 1 8 PRO QD 0.000 . 3.610 3.421 2.962 3.702 0.092 11 0 "[ . 1 . 2]" 1
1329 1 9 PRO QB 1 10 LEU QD 0.000 . 4.700 3.920 2.945 4.531 . 0 0 "[ . 1 . 2]" 1
1330 1 9 PRO QG 1 10 LEU QD 0.000 . 4.190 3.012 2.081 3.664 . 0 0 "[ . 1 . 2]" 1
1331 1 10 LEU H 1 11 PRO QD 0.000 . 5.160 4.460 4.415 4.507 . 0 0 "[ . 1 . 2]" 1
1332 1 10 LEU QD 1 11 PRO QG 0.000 . 4.370 4.208 3.661 4.461 0.091 19 0 "[ . 1 . 2]" 1
1333 1 10 LEU QD 1 14 ALA MB 0.000 . 4.810 3.732 2.755 4.399 . 0 0 "[ . 1 . 2]" 1
1334 1 10 LEU QD 1 16 PRO QB 0.000 . 3.600 2.617 2.017 3.488 . 0 0 "[ . 1 . 2]" 1
1335 1 10 LEU QD 1 16 PRO QG 0.000 . 4.390 2.833 1.974 3.867 . 0 0 "[ . 1 . 2]" 1
1336 1 10 LEU QD 1 16 PRO QD 0.000 . 4.680 3.830 2.744 4.591 . 0 0 "[ . 1 . 2]" 1
1337 1 10 LEU QD 1 47 ILE H 0.000 . 5.940 4.946 4.279 5.964 0.024 10 0 "[ . 1 . 2]" 1
1338 1 10 LEU QD 1 49 GLN HE22 0.000 . 4.820 3.029 1.832 4.013 . 0 0 "[ . 1 . 2]" 1
1339 1 10 LEU QD 1 58 GLN QE 0.000 . 4.820 3.282 1.819 4.871 0.051 16 0 "[ . 1 . 2]" 1
1340 1 11 PRO QB 1 13 GLY QA 0.000 . 5.240 3.923 3.587 4.238 . 0 0 "[ . 1 . 2]" 1
1341 1 11 PRO QG 1 58 GLN QE 0.000 . 4.610 3.105 1.760 4.564 . 0 0 "[ . 1 . 2]" 1
1342 1 11 PRO QD 1 47 ILE MG 0.000 . 5.050 3.004 2.598 3.595 . 0 0 "[ . 1 . 2]" 1
1343 1 11 PRO QD 1 58 GLN QE 0.000 . 4.150 2.057 1.689 3.132 . 0 0 "[ . 1 . 2]" 1
1344 1 12 VAL H 1 13 GLY QA 0.000 . 4.610 4.505 4.301 4.673 0.063 11 0 "[ . 1 . 2]" 1
1345 1 13 GLY QA 1 14 ALA H 0.000 . 3.080 2.776 2.712 2.825 . 0 0 "[ . 1 . 2]" 1
1346 1 13 GLY QA 1 14 ALA MB 0.000 . 5.540 4.164 4.076 4.230 . 0 0 "[ . 1 . 2]" 1
1347 1 14 ALA MB 1 16 PRO QD 0.000 . 5.610 3.218 2.720 3.874 . 0 0 "[ . 1 . 2]" 1
1348 1 15 GLN H 1 17 LEU QD 0.000 . 5.280 5.108 4.898 5.271 . 0 0 "[ . 1 . 2]" 1
1349 1 15 GLN QB 1 17 LEU QD 0.000 . 4.550 3.097 2.859 3.286 . 0 0 "[ . 1 . 2]" 1
1350 1 15 GLN QB 1 16 PRO QD 0.000 . 4.200 3.587 3.323 3.771 . 0 0 "[ . 1 . 2]" 1
1351 1 15 GLN QG 1 17 LEU QD 0.000 . 4.840 4.600 4.273 4.876 0.036 17 0 "[ . 1 . 2]" 1
1352 1 15 GLN QE 1 17 LEU QD 0.000 . 4.830 4.163 3.489 4.561 . 0 0 "[ . 1 . 2]" 1
1353 1 17 LEU QD 1 37 LEU QD 0.000 . 3.720 2.467 2.261 2.773 . 0 0 "[ . 1 . 2]" 1
1354 1 17 LEU QD 1 39 GLN QB 0.000 . 4.380 2.177 2.108 2.292 . 0 0 "[ . 1 . 2]" 1
1355 1 17 LEU QD 1 39 GLN QG 0.000 . 4.680 3.652 3.340 3.825 . 0 0 "[ . 1 . 2]" 1
1356 1 17 LEU QD 1 40 ARG H 0.000 . 5.940 5.509 5.305 5.699 . 0 0 "[ . 1 . 2]" 1
1357 1 17 LEU QD 1 44 TYR QD 0.000 . 3.590 2.558 2.298 2.972 . 0 0 "[ . 1 . 2]" 1
1358 1 17 LEU QD 1 44 TYR QE 0.000 . 3.310 2.169 2.052 2.427 . 0 0 "[ . 1 . 2]" 1
1359 1 17 LEU QD 1 45 GLU H 0.000 . 5.310 4.693 4.358 5.016 . 0 0 "[ . 1 . 2]" 1
1360 1 17 LEU QD 1 115 ALA MB 0.000 . 5.030 3.408 3.035 3.789 . 0 0 "[ . 1 . 2]" 1
1361 1 18 ALA MB 1 20 VAL QG 0.000 . 5.240 3.486 3.060 4.200 . 0 0 "[ . 1 . 2]" 1
1362 1 19 THR MG 1 20 VAL QG 0.000 . 5.290 4.116 3.819 4.610 . 0 0 "[ . 1 . 2]" 1
1363 1 20 VAL QG 1 22 GLY H 0.000 . 5.470 4.062 3.664 5.022 . 0 0 "[ . 1 . 2]" 1
1364 1 20 VAL QG 1 35 LEU QB 0.000 . 3.980 2.489 2.092 3.565 . 0 0 "[ . 1 . 2]" 1
1365 1 20 VAL QG 1 35 LEU QD 0.000 . 4.150 3.210 2.655 3.955 . 0 0 "[ . 1 . 2]" 1
1366 1 20 VAL QG 1 36 THR H 0.000 . 5.940 4.926 4.446 5.971 0.031 17 0 "[ . 1 . 2]" 1
1367 1 20 VAL QG 1 108 HIS H 0.000 . 5.260 4.532 4.205 4.800 . 0 0 "[ . 1 . 2]" 1
1368 1 20 VAL QG 1 108 HIS HD2 0.000 . 4.750 4.289 3.347 4.847 0.097 6 0 "[ . 1 . 2]" 1
1369 1 20 VAL QG 1 109 CYS H 0.000 . 4.930 3.944 3.566 4.274 . 0 0 "[ . 1 . 2]" 1
1370 1 20 VAL QG 1 109 CYS HA 0.000 . 4.750 3.295 2.990 3.920 . 0 0 "[ . 1 . 2]" 1
1371 1 20 VAL QG 1 112 PHE H 0.000 . 4.650 3.209 2.732 4.045 . 0 0 "[ . 1 . 2]" 1
1372 1 20 VAL QG 1 112 PHE HA 0.000 . 5.460 3.369 3.038 3.711 . 0 0 "[ . 1 . 2]" 1
1373 1 20 VAL QG 1 112 PHE HZ 0.000 . 5.940 4.963 4.107 5.985 0.045 11 0 "[ . 1 . 2]" 1
1374 1 20 VAL QG 1 113 LEU H 0.000 . 5.340 4.608 4.359 4.875 . 0 0 "[ . 1 . 2]" 1
1375 1 22 GLY H 1 35 LEU QD 0.000 . 5.940 4.157 2.819 5.054 . 0 0 "[ . 1 . 2]" 1
1376 1 22 GLY QA 1 23 MET ME 0.000 . 5.350 4.460 2.529 5.419 0.069 14 0 "[ . 1 . 2]" 1
1377 1 22 GLY QA 1 24 GLU H 0.000 . 5.340 5.141 4.646 5.403 0.063 4 0 "[ . 1 . 2]" 1
1378 1 22 GLY QA 1 33 CYS H 0.000 . 4.520 4.380 4.303 4.507 . 0 0 "[ . 1 . 2]" 1
1379 1 22 GLY QA 1 102 GLU H 0.000 . 4.820 3.717 3.307 4.106 . 0 0 "[ . 1 . 2]" 1
1380 1 22 GLY QA 1 103 ILE H 0.000 . 5.330 4.581 4.237 4.728 . 0 0 "[ . 1 . 2]" 1
1381 1 22 GLY QA 1 103 ILE MD 0.000 . 4.760 2.818 2.078 3.763 . 0 0 "[ . 1 . 2]" 1
1382 1 23 MET H 1 23 MET QG 0.000 . 3.690 2.886 2.228 3.649 . 0 0 "[ . 1 . 2]" 1
1383 1 23 MET ME 1 104 PRO QD 0.000 . 4.890 4.100 2.590 5.032 0.142 6 0 "[ . 1 . 2]" 1
1384 1 24 GLU H 1 50 LEU QD 0.000 . 5.390 5.049 4.260 5.319 . 0 0 "[ . 1 . 2]" 1
1385 1 24 GLU QB 1 50 LEU QD 0.000 . 4.030 3.265 2.776 3.497 . 0 0 "[ . 1 . 2]" 1
1386 1 24 GLU QG 1 50 LEU QD 0.000 . 5.750 3.728 2.355 4.071 . 0 0 "[ . 1 . 2]" 1
1387 1 25 MET H 1 26 LYS QE 0.000 . 5.340 5.343 5.224 5.401 0.061 6 0 "[ . 1 . 2]" 1
1388 1 25 MET QG 1 100 ARG QB 0.000 . 5.190 3.863 3.642 4.008 . 0 0 "[ . 1 . 2]" 1
1389 1 25 MET ME 1 88 LYS QG 0.000 . 3.710 2.935 2.327 3.817 0.107 10 0 "[ . 1 . 2]" 1
1390 1 26 LYS H 1 26 LYS QE 0.000 . 5.340 4.800 4.089 5.225 . 0 0 "[ . 1 . 2]" 1
1391 1 26 LYS H 1 30 ARG QB 0.000 . 4.470 3.124 2.959 4.347 . 0 0 "[ . 1 . 2]" 1
1392 1 26 LYS QB 1 29 LEU H 0.000 . 3.280 2.811 2.763 2.847 . 0 0 "[ . 1 . 2]" 1
1393 1 26 LYS QE 1 50 LEU QD 0.000 . 4.770 3.595 3.017 4.290 . 0 0 "[ . 1 . 2]" 1
1394 1 29 LEU QD 1 31 GLU QB 0.000 . 5.130 3.361 3.239 3.574 . 0 0 "[ . 1 . 2]" 1
1395 1 30 ARG H 1 30 ARG QB 0.000 . 3.450 2.955 2.381 3.040 . 0 0 "[ . 1 . 2]" 1
1396 1 30 ARG QG 1 31 GLU H 0.000 . 4.160 3.424 3.265 3.659 . 0 0 "[ . 1 . 2]" 1
1397 1 31 GLU QB 1 50 LEU QD 0.000 . 5.780 4.293 3.193 4.898 . 0 0 "[ . 1 . 2]" 1
1398 1 33 CYS H 1 50 LEU QD 0.000 . 5.440 5.428 4.388 5.533 0.093 2 0 "[ . 1 . 2]" 1
1399 1 34 ALA H 1 50 LEU QD 0.000 . 4.520 3.598 3.297 3.766 . 0 0 "[ . 1 . 2]" 1
1400 1 34 ALA MB 1 49 GLN QG 0.000 . 3.880 3.812 3.071 3.968 0.088 3 0 "[ . 1 . 2]" 1
1401 1 35 LEU QD 1 48 ILE H 0.000 . 5.940 5.007 4.597 5.884 . 0 0 "[ . 1 . 2]" 1
1402 1 35 LEU QD 1 48 ILE HB 0.000 . 5.890 4.487 4.182 5.225 . 0 0 "[ . 1 . 2]" 1
1403 1 35 LEU QD 1 48 ILE MG 0.000 . 4.350 2.383 2.036 3.176 . 0 0 "[ . 1 . 2]" 1
1404 1 35 LEU QD 1 48 ILE QG 0.000 . 4.310 2.561 2.167 3.852 . 0 0 "[ . 1 . 2]" 1
1405 1 35 LEU QD 1 48 ILE MD 0.000 . 5.090 3.049 1.915 3.595 . 0 0 "[ . 1 . 2]" 1
1406 1 35 LEU QD 1 49 GLN H 0.000 . 5.040 3.713 3.040 4.627 . 0 0 "[ . 1 . 2]" 1
1407 1 35 LEU QD 1 49 GLN QB 0.000 . 5.940 4.989 4.471 5.476 . 0 0 "[ . 1 . 2]" 1
1408 1 35 LEU QD 1 67 PHE HZ 0.000 . 5.690 5.137 4.649 5.691 0.001 16 0 "[ . 1 . 2]" 1
1409 1 35 LEU QD 1 89 ILE H 0.000 . 5.940 4.819 4.334 5.711 . 0 0 "[ . 1 . 2]" 1
1410 1 35 LEU QD 1 101 PHE H 0.000 . 5.940 4.993 4.732 5.519 . 0 0 "[ . 1 . 2]" 1
1411 1 35 LEU QD 1 101 PHE QB 0.000 . 4.550 2.240 2.077 2.622 . 0 0 "[ . 1 . 2]" 1
1412 1 35 LEU QD 1 101 PHE QD 0.000 . 4.040 2.705 2.474 3.216 . 0 0 "[ . 1 . 2]" 1
1413 1 35 LEU QD 1 102 GLU H 0.000 . 5.780 4.015 3.506 4.339 . 0 0 "[ . 1 . 2]" 1
1414 1 35 LEU QD 1 103 ILE QG 0.000 . 4.600 3.017 2.581 3.686 . 0 0 "[ . 1 . 2]" 1
1415 1 35 LEU QD 1 112 PHE QE 0.000 . 3.990 2.726 2.204 3.184 . 0 0 "[ . 1 . 2]" 1
1416 1 36 THR HB 1 46 LEU QD 0.000 . 4.730 4.165 3.939 4.461 . 0 0 "[ . 1 . 2]" 1
1417 1 36 THR HB 1 47 ILE QG 0.000 . 4.950 4.491 4.201 4.853 . 0 0 "[ . 1 . 2]" 1
1418 1 36 THR MG 1 47 ILE QG 0.000 . 5.360 4.358 4.053 4.622 . 0 0 "[ . 1 . 2]" 1
1419 1 37 LEU QB 1 38 ALA H 0.000 . 4.190 3.783 3.742 3.839 . 0 0 "[ . 1 . 2]" 1
1420 1 37 LEU QB 1 38 ALA HA 0.000 . 5.340 4.561 4.529 4.647 . 0 0 "[ . 1 . 2]" 1
1421 1 37 LEU QB 1 44 TYR QD 0.000 . 5.340 5.389 5.342 5.440 0.100 18 0 "[ . 1 . 2]" 1
1422 1 37 LEU QD 1 38 ALA H 0.000 . 3.660 2.056 1.941 2.308 . 0 0 "[ . 1 . 2]" 1
1423 1 37 LEU QD 1 39 GLN H 0.000 . 4.790 4.840 4.791 4.901 0.111 12 0 "[ . 1 . 2]" 1
1424 1 37 LEU QD 1 39 GLN QB 0.000 . 4.760 4.491 4.071 4.658 . 0 0 "[ . 1 . 2]" 1
1425 1 37 LEU QD 1 40 ARG H 0.000 . 5.940 5.966 5.872 6.068 0.128 11 0 "[ . 1 . 2]" 1
1426 1 37 LEU QD 1 44 TYR QB 0.000 . 3.990 2.823 2.531 2.989 . 0 0 "[ . 1 . 2]" 1
1427 1 37 LEU QD 1 45 GLU QG 0.000 . 5.140 3.965 3.864 4.073 . 0 0 "[ . 1 . 2]" 1
1428 1 37 LEU QD 1 46 LEU QB 0.000 . 5.240 2.924 2.673 3.604 . 0 0 "[ . 1 . 2]" 1
1429 1 37 LEU QD 1 46 LEU QD 0.000 . 5.220 2.673 2.095 3.434 . 0 0 "[ . 1 . 2]" 1
1430 1 37 LEU QD 1 63 ILE HB 0.000 . 5.890 4.281 4.203 4.461 . 0 0 "[ . 1 . 2]" 1
1431 1 37 LEU QD 1 112 PHE QD 0.000 . 5.620 4.359 3.995 4.705 . 0 0 "[ . 1 . 2]" 1
1432 1 37 LEU QD 1 115 ALA H 0.000 . 5.000 4.240 4.158 4.368 . 0 0 "[ . 1 . 2]" 1
1433 1 37 LEU QD 1 116 VAL H 0.000 . 4.240 2.793 2.701 2.976 . 0 0 "[ . 1 . 2]" 1
1434 1 37 LEU QD 1 117 LEU H 0.000 . 5.130 4.407 4.328 4.540 . 0 0 "[ . 1 . 2]" 1
1435 1 37 LEU QD 1 118 ALA MB 0.000 . 5.760 4.181 3.791 4.471 . 0 0 "[ . 1 . 2]" 1
1436 1 37 LEU QD 1 119 ALA H 0.000 . 4.410 3.563 3.350 3.829 . 0 0 "[ . 1 . 2]" 1
1437 1 37 LEU QD 1 119 ALA MB 0.000 . 4.260 2.172 2.054 2.379 . 0 0 "[ . 1 . 2]" 1
1438 1 37 LEU QD 1 120 GLN H 0.000 . 5.790 4.662 4.474 4.991 . 0 0 "[ . 1 . 2]" 1
1439 1 40 ARG QG 1 41 ASN QB 0.000 . 4.350 3.191 3.000 3.493 . 0 0 "[ . 1 . 2]" 1
1440 1 40 ARG QG 1 41 ASN QD 0.000 . 3.560 2.759 2.295 3.244 . 0 0 "[ . 1 . 2]" 1
1441 1 41 ASN HA 1 41 ASN QD 0.000 . 4.390 3.040 1.755 4.069 . 0 0 "[ . 1 . 2]" 1
1442 1 41 ASN QB 1 41 ASN QD 0.000 . 2.850 2.482 2.181 2.823 . 0 0 "[ . 1 . 2]" 1
1443 1 44 TYR H 1 123 GLN QE 0.000 . 4.040 3.431 2.297 4.037 . 0 0 "[ . 1 . 2]" 1
1444 1 46 LEU QD 1 48 ILE MD 0.000 . 4.200 3.031 2.254 3.752 . 0 0 "[ . 1 . 2]" 1
1445 1 46 LEU QD 1 49 GLN H 0.000 . 5.540 5.206 4.544 5.569 0.029 16 0 "[ . 1 . 2]" 1
1446 1 46 LEU QD 1 61 ILE H 0.000 . 4.880 4.709 4.027 4.962 0.082 4 0 "[ . 1 . 2]" 1
1447 1 46 LEU QD 1 67 PHE QD 0.000 . 5.110 4.157 3.845 4.663 . 0 0 "[ . 1 . 2]" 1
1448 1 46 LEU QD 1 67 PHE QE 0.000 . 4.970 2.495 2.242 3.337 . 0 0 "[ . 1 . 2]" 1
1449 1 46 LEU QD 1 112 PHE QD 0.000 . 4.850 3.912 3.438 4.241 . 0 0 "[ . 1 . 2]" 1
1450 1 46 LEU QD 1 112 PHE QE 0.000 . 5.160 2.264 2.010 2.553 . 0 0 "[ . 1 . 2]" 1
1451 1 46 LEU QD 1 116 VAL H 0.000 . 5.940 5.461 5.099 5.679 . 0 0 "[ . 1 . 2]" 1
1452 1 46 LEU QD 1 116 VAL QG 0.000 . 3.870 2.403 2.098 2.623 . 0 0 "[ . 1 . 2]" 1
1453 1 47 ILE MG 1 58 GLN QG 0.000 . 3.580 2.754 1.955 3.665 0.085 16 0 "[ . 1 . 2]" 1
1454 1 47 ILE QG 1 61 ILE H 0.000 . 4.510 3.785 3.402 4.050 . 0 0 "[ . 1 . 2]" 1
1455 1 47 ILE MD 1 58 GLN QE 0.000 . 5.460 3.468 2.416 4.868 . 0 0 "[ . 1 . 2]" 1
1456 1 48 ILE H 1 49 GLN QG 0.000 . 5.200 4.495 4.251 5.033 . 0 0 "[ . 1 . 2]" 1
1457 1 48 ILE H 1 61 ILE QG 0.000 . 3.720 3.480 3.144 3.742 0.022 10 0 "[ . 1 . 2]" 1
1458 1 48 ILE HB 1 59 ASP QB 0.000 . 4.000 2.313 2.279 2.448 . 0 0 "[ . 1 . 2]" 1
1459 1 48 ILE MG 1 59 ASP QB 0.000 . 5.070 3.530 3.337 3.786 . 0 0 "[ . 1 . 2]" 1
1460 1 48 ILE QG 1 59 ASP QB 0.000 . 4.760 3.820 3.080 4.072 . 0 0 "[ . 1 . 2]" 1
1461 1 49 GLN HE22 1 49 GLN QG 0.000 . 3.560 3.297 3.274 3.342 . 0 0 "[ . 1 . 2]" 1
1462 1 49 GLN QG 1 50 LEU H 0.000 . 5.340 4.094 3.883 4.704 . 0 0 "[ . 1 . 2]" 1
1463 1 50 LEU H 1 57 VAL QG 0.000 . 4.520 3.794 2.095 4.485 . 0 0 "[ . 1 . 2]" 1
1464 1 50 LEU QB 1 57 VAL QG 0.000 . 4.230 2.830 2.015 3.795 . 0 0 "[ . 1 . 2]" 1
1465 1 50 LEU QD 1 101 PHE QD 0.000 . 5.860 4.714 4.249 5.056 . 0 0 "[ . 1 . 2]" 1
1466 1 50 LEU QD 1 101 PHE QE 0.000 . 4.880 3.217 2.656 3.666 . 0 0 "[ . 1 . 2]" 1
1467 1 52 GLU H 1 57 VAL QG 0.000 . 4.440 3.986 3.103 4.475 0.035 15 0 "[ . 1 . 2]" 1
1468 1 52 GLU QB 1 57 VAL QG 0.000 . 3.620 2.960 2.185 3.320 . 0 0 "[ . 1 . 2]" 1
1469 1 52 GLU QG 1 57 VAL QG 0.000 . 4.210 3.292 2.352 4.220 0.010 15 0 "[ . 1 . 2]" 1
1470 1 54 GLU H 1 54 GLU QB 0.000 . 3.390 2.553 2.375 3.173 . 0 0 "[ . 1 . 2]" 1
1471 1 54 GLU H 1 57 VAL QG 0.000 . 5.940 5.635 3.989 6.008 0.068 8 0 "[ . 1 . 2]" 1
1472 1 54 GLU QB 1 55 GLN H 0.000 . 4.380 2.278 1.722 3.695 . 0 0 "[ . 1 . 2]" 1
1473 1 54 GLU QG 1 55 GLN H 0.000 . 3.670 3.544 1.748 3.853 0.183 19 0 "[ . 1 . 2]" 1
1474 1 55 GLN H 1 55 GLN QB 0.000 . 3.550 2.980 2.384 3.354 . 0 0 "[ . 1 . 2]" 1
1475 1 55 GLN H 1 57 VAL QG 0.000 . 5.240 4.122 3.383 5.033 . 0 0 "[ . 1 . 2]" 1
1476 1 55 GLN QB 1 55 GLN QE 0.000 . 3.520 3.474 3.165 3.592 0.072 15 0 "[ . 1 . 2]" 1
1477 1 55 GLN QB 1 57 VAL QG 0.000 . 4.960 3.750 2.661 4.182 . 0 0 "[ . 1 . 2]" 1
1478 1 55 GLN QE 1 55 GLN QG 0.000 . 3.090 2.239 2.177 2.290 . 0 0 "[ . 1 . 2]" 1
1479 1 55 GLN QG 1 57 VAL QG 0.000 . 5.460 3.068 2.160 4.388 . 0 0 "[ . 1 . 2]" 1
1480 1 55 GLN QE 1 57 VAL QG 0.000 . 5.050 3.631 1.825 5.069 0.019 13 0 "[ . 1 . 2]" 1
1481 1 56 HIS QB 1 56 HIS HD2 0.000 . 3.330 2.863 2.694 3.325 . 0 0 "[ . 1 . 2]" 1
1482 1 57 VAL QG 1 59 ASP H 0.000 . 5.110 4.282 3.826 4.942 . 0 0 "[ . 1 . 2]" 1
1483 1 58 GLN HA 1 58 GLN QE 0.000 . 5.340 4.427 2.784 5.352 0.012 5 0 "[ . 1 . 2]" 1
1484 1 58 GLN QB 1 58 GLN QE 0.000 . 3.800 3.167 2.392 3.559 . 0 0 "[ . 1 . 2]" 1
1485 1 58 GLN QG 1 59 ASP H 0.000 . 3.810 3.409 2.912 3.921 0.111 6 0 "[ . 1 . 2]" 1
1486 1 58 GLN QE 1 60 ILE MD 0.000 . 5.120 3.803 1.710 5.054 . 0 0 "[ . 1 . 2]" 1
1487 1 59 ASP H 1 59 ASP QB 0.000 . 3.680 2.427 2.346 2.567 . 0 0 "[ . 1 . 2]" 1
1488 1 60 ILE H 1 60 ILE QG 0.000 . 3.730 2.340 2.070 2.480 . 0 0 "[ . 1 . 2]" 1
1489 1 62 PRO QB 1 64 ASN QD 0.000 . 3.980 3.189 2.189 3.926 . 0 0 "[ . 1 . 2]" 1
1490 1 62 PRO QG 1 64 ASN QD 0.000 . 4.270 3.399 2.855 4.275 0.005 1 0 "[ . 1 . 2]" 1
1491 1 63 ILE HA 1 120 GLN QE 0.000 . 5.040 4.194 3.318 4.681 . 0 0 "[ . 1 . 2]" 1
1492 1 63 ILE MG 1 67 PHE QB 0.000 . 5.020 3.652 3.528 3.824 . 0 0 "[ . 1 . 2]" 1
1493 1 63 ILE MG 1 120 GLN QE 0.000 . 4.260 2.633 1.766 3.268 . 0 0 "[ . 1 . 2]" 1
1494 1 63 ILE MG 1 123 GLN QE 0.000 . 4.150 2.458 1.708 4.193 0.043 12 0 "[ . 1 . 2]" 1
1495 1 64 ASN H 1 120 GLN QE 0.000 . 4.120 3.766 3.023 4.151 0.031 16 0 "[ . 1 . 2]" 1
1496 1 64 ASN HA 1 64 ASN QD 0.000 . 4.430 4.300 3.529 4.435 0.005 4 0 "[ . 1 . 2]" 1
1497 1 64 ASN QB 1 67 PHE H 0.000 . 4.520 4.047 3.155 4.324 . 0 0 "[ . 1 . 2]" 1
1498 1 66 HIS H 1 66 HIS QB 0.000 . 3.340 2.382 2.043 2.632 . 0 0 "[ . 1 . 2]" 1
1499 1 66 HIS QB 1 67 PHE H 0.000 . 3.770 3.004 2.611 3.848 0.078 11 0 "[ . 1 . 2]" 1
1500 1 67 PHE H 1 91 VAL QG 0.000 . 5.940 5.892 5.508 6.060 0.120 12 0 "[ . 1 . 2]" 1
1501 1 67 PHE H 1 120 GLN QE 0.000 . 4.920 4.929 4.443 5.052 0.132 6 0 "[ . 1 . 2]" 1
1502 1 67 PHE QB 1 120 GLN QE 0.000 . 4.470 4.024 3.411 4.444 . 0 0 "[ . 1 . 2]" 1
1503 1 67 PHE QD 1 120 GLN QE 0.000 . 3.790 2.346 1.865 2.915 . 0 0 "[ . 1 . 2]" 1
1504 1 67 PHE QE 1 91 VAL QG 0.000 . 3.960 2.012 1.888 2.111 . 0 0 "[ . 1 . 2]" 1
1505 1 67 PHE HZ 1 69 CYS QB 0.000 . 3.910 2.797 2.420 3.196 . 0 0 "[ . 1 . 2]" 1
1506 1 67 PHE HZ 1 91 VAL QG 0.000 . 4.950 3.112 2.887 3.233 . 0 0 "[ . 1 . 2]" 1
1507 1 68 ARG QB 1 70 VAL QG 0.000 . 3.880 2.835 2.581 3.033 . 0 0 "[ . 1 . 2]" 1
1508 1 68 ARG QD 1 70 VAL QG 0.000 . 4.090 3.607 2.455 4.103 0.013 10 0 "[ . 1 . 2]" 1
1509 1 69 CYS H 1 70 VAL QG 0.000 . 4.790 3.628 3.244 4.014 . 0 0 "[ . 1 . 2]" 1
1510 1 69 CYS QB 1 70 VAL QG 0.000 . 5.780 4.301 4.192 4.411 . 0 0 "[ . 1 . 2]" 1
1511 1 70 VAL H 1 91 VAL QG 0.000 . 4.180 4.221 3.896 4.322 0.142 8 0 "[ . 1 . 2]" 1
1512 1 70 VAL QG 1 72 GLU H 0.000 . 5.230 4.112 3.673 4.578 . 0 0 "[ . 1 . 2]" 1
1513 1 70 VAL QG 1 90 ARG H 0.000 . 5.010 2.510 2.159 2.896 . 0 0 "[ . 1 . 2]" 1
1514 1 70 VAL QG 1 90 ARG QG 0.000 . 4.100 3.178 2.210 3.903 . 0 0 "[ . 1 . 2]" 1
1515 1 70 VAL QG 1 90 ARG QD 0.000 . 4.780 2.772 2.045 3.898 . 0 0 "[ . 1 . 2]" 1
1516 1 71 GLN QB 1 71 GLN QE 0.000 . 4.060 3.194 2.000 3.640 . 0 0 "[ . 1 . 2]" 1
1517 1 71 GLN QB 1 89 ILE MG 0.000 . 5.220 2.867 2.237 3.230 . 0 0 "[ . 1 . 2]" 1
1518 1 71 GLN QG 1 84 ASN QD 0.000 . 5.110 4.993 4.141 5.230 0.120 10 0 "[ . 1 . 2]" 1
1519 1 71 GLN QG 1 113 LEU QD 0.000 . 4.240 3.341 2.254 3.765 . 0 0 "[ . 1 . 2]" 1
1520 1 71 GLN QE 1 87 CYS QB 0.000 . 4.550 1.957 1.646 2.368 . 0 0 "[ . 1 . 2]" 1
1521 1 71 GLN QE 1 88 LYS H 0.000 . 4.470 3.096 1.399 4.457 . 0 0 "[ . 1 . 2]" 1
1522 1 71 GLN QE 1 113 LEU HG 0.000 . 5.340 4.620 2.234 5.444 0.104 8 0 "[ . 1 . 2]" 1
1523 1 71 GLN QE 1 113 LEU QD 0.000 . 4.140 2.439 1.579 3.220 . 0 0 "[ . 1 . 2]" 1
1524 1 72 GLU QB 1 73 ALA MB 0.000 . 5.840 3.806 3.215 4.444 . 0 0 "[ . 1 . 2]" 1
1525 1 73 ALA MB 1 74 GLU QB 0.000 . 5.840 4.004 3.585 4.319 . 0 0 "[ . 1 . 2]" 1
1526 1 75 GLU QG 1 77 LEU QD 0.000 . 5.490 3.707 1.958 5.330 . 0 0 "[ . 1 . 2]" 1
1527 1 76 THR H 1 77 LEU QD 0.000 . 5.310 3.597 2.815 4.873 . 0 0 "[ . 1 . 2]" 1
1528 1 76 THR HB 1 77 LEU QD 0.000 . 5.860 4.909 3.155 5.886 0.026 13 0 "[ . 1 . 2]" 1
1529 1 76 THR MG 1 77 LEU QD 0.000 . 4.570 4.459 3.408 4.790 0.220 11 0 "[ . 1 . 2]" 1
1530 1 77 LEU H 1 77 LEU QB 0.000 . 2.910 2.515 2.349 2.663 . 0 0 "[ . 1 . 2]" 1
1531 1 78 LEU QB 1 79 ILE QG 0.000 . 3.000 2.780 2.555 3.064 0.064 12 0 "[ . 1 . 2]" 1
1532 1 78 LEU QD 1 79 ILE H 0.000 . 5.090 3.963 3.581 4.301 . 0 0 "[ . 1 . 2]" 1
1533 1 80 ASP H 1 81 ILE QG 0.000 . 4.860 3.613 3.091 4.150 . 0 0 "[ . 1 . 2]" 1
1534 1 80 ASP QB 1 81 ILE MD 0.000 . 5.250 4.102 2.908 5.233 . 0 0 "[ . 1 . 2]" 1
1535 1 81 ILE H 1 81 ILE QG 0.000 . 3.070 2.157 1.931 2.532 . 0 0 "[ . 1 . 2]" 1
1536 1 81 ILE QG 1 82 ALA H 0.000 . 4.460 4.036 3.838 4.204 . 0 0 "[ . 1 . 2]" 1
1537 1 81 ILE MD 1 84 ASN QD 0.000 . 5.840 4.465 2.558 5.736 . 0 0 "[ . 1 . 2]" 1
1538 1 83 SER H 1 84 ASN QB 0.000 . 5.120 5.135 4.336 5.221 0.101 17 0 "[ . 1 . 2]" 1
1539 1 84 ASN QB 1 84 ASN QD 0.000 . 3.070 2.696 2.311 2.795 . 0 0 "[ . 1 . 2]" 1
1540 1 84 ASN QB 1 86 GLY H 0.000 . 5.090 4.959 4.695 5.134 0.044 19 0 "[ . 1 . 2]" 1
1541 1 84 ASN QB 1 113 LEU QD 0.000 . 5.350 4.296 2.698 5.457 0.107 14 0 "[ . 1 . 2]" 1
1542 1 84 ASN QD 1 113 LEU QD 0.000 . 5.090 2.273 1.656 3.815 . 0 0 "[ . 1 . 2]" 1
1543 1 85 SER H 1 85 SER QB 0.000 . 3.390 3.122 2.304 3.478 0.088 4 0 "[ . 1 . 2]" 1
1544 1 85 SER QB 1 86 GLY H 0.000 . 4.180 3.869 3.737 4.035 . 0 0 "[ . 1 . 2]" 1
1545 1 86 GLY H 1 109 CYS QB 0.000 . 4.280 3.875 3.471 4.128 . 0 0 "[ . 1 . 2]" 1
1546 1 87 CYS H 1 102 GLU QG 0.000 . 5.150 4.299 3.752 4.735 . 0 0 "[ . 1 . 2]" 1
1547 1 87 CYS QB 1 113 LEU QD 0.000 . 5.710 2.365 2.072 3.134 . 0 0 "[ . 1 . 2]" 1
1548 1 88 LYS QB 1 88 LYS QE 0.000 . 4.510 3.435 2.056 3.645 . 0 0 "[ . 1 . 2]" 1
1549 1 88 LYS QE 1 88 LYS QG 0.000 . 3.320 2.236 2.144 2.339 . 0 0 "[ . 1 . 2]" 1
1550 1 89 ILE H 1 102 GLU QG 0.000 . 5.340 5.084 4.453 5.384 0.044 14 0 "[ . 1 . 2]" 1
1551 1 89 ILE HB 1 91 VAL QG 0.000 . 4.380 3.939 3.567 4.256 . 0 0 "[ . 1 . 2]" 1
1552 1 89 ILE QG 1 102 GLU H 0.000 . 5.340 4.725 4.449 4.998 . 0 0 "[ . 1 . 2]" 1
1553 1 89 ILE QG 1 112 PHE QE 0.000 . 4.710 2.895 2.294 3.792 . 0 0 "[ . 1 . 2]" 1
1554 1 89 ILE QG 1 112 PHE HZ 0.000 . 4.120 3.890 3.074 4.222 0.102 19 0 "[ . 1 . 2]" 1
1555 1 89 ILE MD 1 91 VAL QG 0.000 . 3.980 2.599 2.040 3.164 . 0 0 "[ . 1 . 2]" 1
1556 1 90 ARG H 1 91 VAL QG 0.000 . 4.750 4.179 3.677 4.392 . 0 0 "[ . 1 . 2]" 1
1557 1 91 VAL QG 1 99 ARG H 0.000 . 5.930 4.127 3.655 4.556 . 0 0 "[ . 1 . 2]" 1
1558 1 91 VAL QG 1 99 ARG QB 0.000 . 5.780 3.595 2.753 4.124 . 0 0 "[ . 1 . 2]" 1
1559 1 91 VAL QG 1 101 PHE H 0.000 . 5.020 4.928 4.661 5.058 0.038 15 0 "[ . 1 . 2]" 1
1560 1 91 VAL QG 1 101 PHE QD 0.000 . 4.830 2.516 2.353 3.004 . 0 0 "[ . 1 . 2]" 1
1561 1 92 GLN H 1 92 GLN QB 0.000 . 3.630 2.830 2.526 3.180 . 0 0 "[ . 1 . 2]" 1
1562 1 93 GLY H 1 96 ILE QG 0.000 . 4.140 2.751 2.200 3.237 . 0 0 "[ . 1 . 2]" 1
1563 1 94 ASP H 1 94 ASP QB 0.000 . 3.640 2.413 2.199 3.172 . 0 0 "[ . 1 . 2]" 1
1564 1 95 TRP H 1 96 ILE QG 0.000 . 5.090 3.656 3.273 4.278 . 0 0 "[ . 1 . 2]" 1
1565 1 96 ILE H 1 96 ILE QG 0.000 . 4.030 2.134 2.031 2.317 . 0 0 "[ . 1 . 2]" 1
1566 1 96 ILE MD 1 99 ARG QB 0.000 . 4.840 3.747 2.268 4.859 0.019 5 0 "[ . 1 . 2]" 1
1567 1 96 ILE MD 1 99 ARG QD 0.000 . 5.840 3.356 2.037 4.978 . 0 0 "[ . 1 . 2]" 1
1568 1 98 GLU QG 1 99 ARG H 0.000 . 3.730 3.094 2.438 3.874 0.144 1 0 "[ . 1 . 2]" 1
1569 1 99 ARG H 1 99 ARG QB 0.000 . 3.650 2.618 2.420 2.750 . 0 0 "[ . 1 . 2]" 1
1570 1 99 ARG QB 1 100 ARG H 0.000 . 3.580 2.999 2.546 3.329 . 0 0 "[ . 1 . 2]" 1
1571 1 100 ARG H 1 100 ARG QB 0.000 . 3.160 2.463 2.351 2.580 . 0 0 "[ . 1 . 2]" 1
1572 1 103 ILE H 1 109 CYS QB 0.000 . 5.320 5.360 5.010 5.476 0.156 11 0 "[ . 1 . 2]" 1
1573 1 105 ASP H 1 109 CYS QB 0.000 . 4.290 4.370 4.327 4.403 0.113 15 0 "[ . 1 . 2]" 1
1574 1 105 ASP QB 1 107 GLU QG 0.000 . 4.490 2.879 2.526 3.609 . 0 0 "[ . 1 . 2]" 1
1575 1 106 GLU H 1 109 CYS QB 0.000 . 5.340 4.330 4.227 4.412 . 0 0 "[ . 1 . 2]" 1
1576 1 107 GLU QB 1 108 HIS H 0.000 . 4.030 3.342 3.195 3.426 . 0 0 "[ . 1 . 2]" 1
1577 1 107 GLU QG 1 108 HIS H 0.000 . 3.020 1.932 1.764 2.047 . 0 0 "[ . 1 . 2]" 1
1578 1 107 GLU QG 1 108 HIS HD2 0.000 . 3.900 2.501 2.326 3.304 . 0 0 "[ . 1 . 2]" 1
1579 1 107 GLU QG 1 109 CYS H 0.000 . 4.440 4.124 4.072 4.197 . 0 0 "[ . 1 . 2]" 1
1580 1 108 HIS H 1 109 CYS QB 0.000 . 5.230 4.255 4.140 4.331 . 0 0 "[ . 1 . 2]" 1
1581 1 110 LEU HA 1 113 LEU QD 0.000 . 4.290 3.398 3.144 4.257 . 0 0 "[ . 1 . 2]" 1
1582 1 111 LYS H 1 111 LYS QG 0.000 . 3.220 2.266 1.974 2.456 . 0 0 "[ . 1 . 2]" 1
1583 1 112 PHE QE 1 113 LEU QD 0.000 . 3.930 2.579 2.415 2.976 . 0 0 "[ . 1 . 2]" 1
1584 1 112 PHE HZ 1 113 LEU QD 0.000 . 4.170 4.242 4.159 4.293 0.123 7 0 "[ . 1 . 2]" 1
1585 1 114 SER QB 1 115 ALA H 0.000 . 3.180 2.780 2.452 3.295 0.115 4 0 "[ . 1 . 2]" 1
1586 1 117 LEU QD 1 118 ALA H 0.000 . 3.570 3.670 2.915 3.770 0.200 18 0 "[ . 1 . 2]" 1
1587 1 117 LEU QD 1 118 ALA HA 0.000 . 4.900 3.879 2.630 4.068 . 0 0 "[ . 1 . 2]" 1
1588 1 117 LEU QD 1 118 ALA MB 0.000 . 4.300 4.162 3.195 4.305 0.005 13 0 "[ . 1 . 2]" 1
1589 1 117 LEU QD 1 119 ALA H 0.000 . 5.930 4.911 4.659 5.001 . 0 0 "[ . 1 . 2]" 1
1590 1 117 LEU QD 1 121 LYS H 0.000 . 4.950 3.533 3.048 4.032 . 0 0 "[ . 1 . 2]" 1
1591 1 117 LEU QD 1 121 LYS QD 0.000 . 4.700 3.314 2.328 4.326 . 0 0 "[ . 1 . 2]" 1
1592 1 117 LEU QD 1 121 LYS QE 0.000 . 4.390 3.658 1.986 4.461 0.071 4 0 "[ . 1 . 2]" 1
1593 1 119 ALA MB 1 123 GLN QE 0.000 . 5.840 3.671 2.315 4.867 . 0 0 "[ . 1 . 2]" 1
1594 1 120 GLN QB 1 120 GLN QE 0.000 . 3.680 3.307 3.154 3.715 0.035 4 0 "[ . 1 . 2]" 1
1595 1 121 LYS H 1 123 GLN QG 0.000 . 5.340 4.990 4.376 5.445 0.105 10 0 "[ . 1 . 2]" 1
1596 1 121 LYS QG 1 122 ALA H 0.000 . 4.070 3.669 3.519 3.992 . 0 0 "[ . 1 . 2]" 1
1597 1 122 ALA H 1 123 GLN QB 0.000 . 4.970 4.848 4.697 5.065 0.095 15 0 "[ . 1 . 2]" 1
1598 1 122 ALA H 1 123 GLN QG 0.000 . 4.710 4.279 4.075 4.469 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 3
_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 87 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 CYS 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 87 CYS SG 1 109 CYS SG 0.000 . 2.100 2.024 2.021 2.027 . 0 0 "[ . 1 . 2]" 2
2 1 87 CYS SG 1 109 CYS CB 0.000 . 3.100 3.039 3.027 3.056 . 0 0 "[ . 1 . 2]" 2
3 1 87 CYS CB 1 109 CYS SG 0.000 . 3.100 3.024 3.008 3.032 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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