NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
635636 |
6mk7   |
30523 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6mk7
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 1676
_Distance_constraint_stats_list.Viol_count 4476
_Distance_constraint_stats_list.Viol_total 7391.413
_Distance_constraint_stats_list.Viol_max 0.494
_Distance_constraint_stats_list.Viol_rms 0.0387
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0110
_Distance_constraint_stats_list.Viol_average_violations_only 0.0826
_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 16 VAL 6.036 0.318 19 0 "[ . 1 . 2]"
1 17 ARG 5.264 0.269 19 0 "[ . 1 . 2]"
1 18 VAL 11.824 0.358 8 0 "[ . 1 . 2]"
1 19 VAL 16.049 0.405 9 0 "[ . 1 . 2]"
1 20 VAL 7.403 0.254 1 0 "[ . 1 . 2]"
1 21 TYR 10.426 0.405 9 0 "[ . 1 . 2]"
1 22 ILE 20.616 0.379 9 0 "[ . 1 . 2]"
1 23 ARG 4.472 0.300 19 0 "[ . 1 . 2]"
1 24 LYS 1.632 0.220 5 0 "[ . 1 . 2]"
1 25 ASP 1.259 0.370 5 0 "[ . 1 . 2]"
1 26 VAL 6.812 0.370 5 0 "[ . 1 . 2]"
1 27 GLU 0.623 0.262 19 0 "[ . 1 . 2]"
1 28 ASP 2.171 0.302 10 0 "[ . 1 . 2]"
1 29 ASN 3.916 0.236 12 0 "[ . 1 . 2]"
1 30 SER 1.915 0.236 12 0 "[ . 1 . 2]"
1 31 GLN 1.809 0.389 8 0 "[ . 1 . 2]"
1 32 THR 0.912 0.245 17 0 "[ . 1 . 2]"
1 33 ILE 6.862 0.271 14 0 "[ . 1 . 2]"
1 34 GLU 7.350 0.289 2 0 "[ . 1 . 2]"
1 35 LYS 1.888 0.148 13 0 "[ . 1 . 2]"
1 36 GLU 0.111 0.111 19 0 "[ . 1 . 2]"
1 37 GLY 0.162 0.101 7 0 "[ . 1 . 2]"
1 38 GLN 2.562 0.239 13 0 "[ . 1 . 2]"
1 39 THR 4.260 0.198 19 0 "[ . 1 . 2]"
1 40 VAL 7.659 0.289 2 0 "[ . 1 . 2]"
1 41 THR 5.669 0.270 1 0 "[ . 1 . 2]"
1 42 ASN 4.944 0.380 15 0 "[ . 1 . 2]"
1 43 ASN 0.592 0.339 14 0 "[ . 1 . 2]"
1 44 ASP 1.690 0.346 4 0 "[ . 1 . 2]"
1 45 TYR 6.573 0.389 8 0 "[ . 1 . 2]"
1 46 HIS 4.045 0.328 17 0 "[ . 1 . 2]"
1 47 LYS 4.644 0.205 14 0 "[ . 1 . 2]"
1 48 VAL 8.399 0.318 20 0 "[ . 1 . 2]"
1 49 TYR 12.536 0.328 17 0 "[ . 1 . 2]"
1 50 ASP 13.387 0.321 7 0 "[ . 1 . 2]"
1 51 SER 6.299 0.239 4 0 "[ . 1 . 2]"
1 52 LEU 11.988 0.363 13 0 "[ . 1 . 2]"
1 53 LYS 9.321 0.321 7 0 "[ . 1 . 2]"
1 54 ASN 3.034 0.276 3 0 "[ . 1 . 2]"
1 55 MET 7.080 0.296 2 0 "[ . 1 . 2]"
1 56 SER 0.579 0.187 8 0 "[ . 1 . 2]"
1 57 THR 3.596 0.208 11 0 "[ . 1 . 2]"
1 58 VAL 7.861 0.301 9 0 "[ . 1 . 2]"
1 59 LYS 4.250 0.373 17 0 "[ . 1 . 2]"
1 60 SER 5.279 0.331 11 0 "[ . 1 . 2]"
1 61 VAL 12.539 0.299 16 0 "[ . 1 . 2]"
1 62 THR 11.059 0.245 7 0 "[ . 1 . 2]"
1 63 PHE 12.242 0.440 16 0 "[ . 1 . 2]"
1 64 SER 10.051 0.414 16 0 "[ . 1 . 2]"
1 65 SER 2.970 0.359 16 0 "[ . 1 . 2]"
1 66 LYS 10.146 0.339 15 0 "[ . 1 . 2]"
1 67 GLU 5.745 0.324 13 0 "[ . 1 . 2]"
1 68 GLU 6.673 0.388 7 0 "[ . 1 . 2]"
1 69 GLN 7.807 0.249 5 0 "[ . 1 . 2]"
1 70 TYR 10.076 0.210 14 0 "[ . 1 . 2]"
1 71 GLU 8.082 0.195 10 0 "[ . 1 . 2]"
1 72 LYS 13.603 0.388 7 0 "[ . 1 . 2]"
1 73 LEU 15.425 0.290 10 0 "[ . 1 . 2]"
1 74 THR 17.073 0.280 1 0 "[ . 1 . 2]"
1 75 GLU 2.713 0.115 18 0 "[ . 1 . 2]"
1 76 ILE 11.582 0.312 1 0 "[ . 1 . 2]"
1 77 MET 4.559 0.396 16 0 "[ . 1 . 2]"
1 78 GLY 0.549 0.224 12 0 "[ . 1 . 2]"
1 79 ASP 0.055 0.037 17 0 "[ . 1 . 2]"
1 80 ASN 2.230 0.262 14 0 "[ . 1 . 2]"
1 81 TRP 7.443 0.336 6 0 "[ . 1 . 2]"
1 82 LYS 3.237 0.336 6 0 "[ . 1 . 2]"
1 83 ILE 7.560 0.494 7 0 "[ . 1 . 2]"
1 84 PHE 7.540 0.373 2 0 "[ . 1 . 2]"
1 85 GLU 3.826 0.494 7 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASP 0.475 0.135 9 0 "[ . 1 . 2]"
1 88 ALA 0.868 0.227 19 0 "[ . 1 . 2]"
1 89 ASN 2.140 0.329 17 0 "[ . 1 . 2]"
1 90 PRO 2.723 0.453 2 0 "[ . 1 . 2]"
1 91 LEU 1.847 0.453 2 0 "[ . 1 . 2]"
1 92 TYR 6.996 0.301 17 0 "[ . 1 . 2]"
1 93 ASP 3.970 0.379 9 0 "[ . 1 . 2]"
1 94 ALA 7.359 0.414 16 0 "[ . 1 . 2]"
1 95 TYR 20.355 0.440 16 0 "[ . 1 . 2]"
1 96 ILE 17.938 0.269 19 0 "[ . 1 . 2]"
1 97 VAL 20.753 0.356 18 0 "[ . 1 . 2]"
1 98 GLU 8.921 0.373 17 0 "[ . 1 . 2]"
1 99 ALA 3.086 0.187 4 0 "[ . 1 . 2]"
1 100 ASN 4.263 0.301 9 0 "[ . 1 . 2]"
1 101 ALA 4.644 0.308 7 0 "[ . 1 . 2]"
1 102 PRO 6.813 0.241 15 0 "[ . 1 . 2]"
1 103 ASN 2.172 0.189 1 0 "[ . 1 . 2]"
1 104 ASP 9.690 0.369 17 0 "[ . 1 . 2]"
1 105 VAL 17.373 0.347 14 0 "[ . 1 . 2]"
1 106 LYS 12.261 0.369 17 0 "[ . 1 . 2]"
1 107 THR 13.220 0.269 7 0 "[ . 1 . 2]"
1 108 ILE 16.999 0.269 7 0 "[ . 1 . 2]"
1 109 ALA 7.932 0.354 18 0 "[ . 1 . 2]"
1 110 GLU 10.210 0.236 16 0 "[ . 1 . 2]"
1 111 ASP 2.631 0.088 11 0 "[ . 1 . 2]"
1 112 ALA 6.378 0.363 13 0 "[ . 1 . 2]"
1 113 LYS 6.818 0.204 5 0 "[ . 1 . 2]"
1 114 LYS 4.417 0.204 5 0 "[ . 1 . 2]"
1 115 ILE 7.571 0.458 4 0 "[ . 1 . 2]"
1 116 GLU 4.713 0.458 4 0 "[ . 1 . 2]"
1 117 GLY 0.586 0.124 1 0 "[ . 1 . 2]"
1 118 VAL 2.572 0.309 18 0 "[ . 1 . 2]"
1 119 SER 5.123 0.272 4 0 "[ . 1 . 2]"
1 120 GLU 6.126 0.247 15 0 "[ . 1 . 2]"
1 121 VAL 9.303 0.354 18 0 "[ . 1 . 2]"
1 122 GLN 6.675 0.238 17 0 "[ . 1 . 2]"
1 123 ASP 1.291 0.110 4 0 "[ . 1 . 2]"
1 124 GLY 1.118 0.196 17 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 16 VAL H 1 17 ARG H 4.400 . 4.400 3.819 1.687 4.603 0.203 7 0 "[ . 1 . 2]" 1
2 1 16 VAL HA 1 99 ALA H 4.670 . 4.670 4.377 3.587 4.802 0.132 14 0 "[ . 1 . 2]" 1
3 1 16 VAL HA 1 99 ALA MB 3.800 . 3.800 3.580 2.946 3.986 0.186 7 0 "[ . 1 . 2]" 1
4 1 16 VAL HA 1 102 PRO QB 5.800 . 5.800 4.257 3.597 4.769 . 0 0 "[ . 1 . 2]" 1
5 1 16 VAL HA 1 105 VAL HA 5.060 . 5.060 5.002 4.302 5.267 0.207 6 0 "[ . 1 . 2]" 1
6 1 16 VAL HA 1 105 VAL HB 4.430 . 4.430 3.834 2.223 4.363 . 0 0 "[ . 1 . 2]" 1
7 1 16 VAL HA 1 105 VAL QG 5.100 . 5.100 2.056 1.863 3.046 . 0 0 "[ . 1 . 2]" 1
8 1 16 VAL HB 1 17 ARG H 4.740 . 4.740 3.337 1.848 4.403 . 0 0 "[ . 1 . 2]" 1
9 1 16 VAL HB 1 17 ARG QB 5.500 . 5.500 4.629 3.126 5.696 0.196 1 0 "[ . 1 . 2]" 1
10 1 16 VAL HB 1 99 ALA MB 5.500 . 5.500 4.206 2.256 5.499 . 0 0 "[ . 1 . 2]" 1
11 1 16 VAL HB 1 102 PRO HA 4.990 . 4.990 4.489 3.365 5.105 0.115 9 0 "[ . 1 . 2]" 1
12 1 16 VAL HB 1 102 PRO QB 6.000 . 6.000 5.229 3.557 6.044 0.044 8 0 "[ . 1 . 2]" 1
13 1 16 VAL HB 1 102 PRO QD 6.000 . 6.000 5.255 4.349 6.079 0.079 20 0 "[ . 1 . 2]" 1
14 1 16 VAL HB 1 105 VAL QG 3.950 . 3.950 3.694 2.359 4.268 0.318 19 0 "[ . 1 . 2]" 1
15 1 16 VAL QG 1 17 ARG H 4.480 . 4.480 2.721 1.760 3.739 . 0 0 "[ . 1 . 2]" 1
16 1 16 VAL QG 1 98 GLU HA 3.910 . 3.910 3.364 2.673 4.052 0.142 17 0 "[ . 1 . 2]" 1
17 1 16 VAL QG 1 98 GLU QB 4.100 . 4.100 3.305 2.662 4.143 0.043 17 0 "[ . 1 . 2]" 1
18 1 16 VAL QG 1 99 ALA H 3.710 . 3.710 3.067 2.293 3.821 0.111 10 0 "[ . 1 . 2]" 1
19 1 16 VAL QG 1 99 ALA MB 3.990 . 3.990 2.699 1.996 3.243 . 0 0 "[ . 1 . 2]" 1
20 1 16 VAL QG 1 100 ASN HA 5.900 . 5.900 4.351 3.578 5.223 . 0 0 "[ . 1 . 2]" 1
21 1 16 VAL QG 1 101 ALA H 4.190 . 4.190 3.494 2.030 4.256 0.066 2 0 "[ . 1 . 2]" 1
22 1 16 VAL QG 1 101 ALA HA 6.000 . 6.000 3.097 2.243 3.607 . 0 0 "[ . 1 . 2]" 1
23 1 16 VAL QG 1 101 ALA MB 4.300 . 4.300 4.016 3.447 4.497 0.197 2 0 "[ . 1 . 2]" 1
24 1 16 VAL QG 1 102 PRO HA 3.870 . 3.870 2.444 2.061 3.148 . 0 0 "[ . 1 . 2]" 1
25 1 16 VAL QG 1 102 PRO QB 5.000 . 5.000 3.268 2.246 4.107 . 0 0 "[ . 1 . 2]" 1
26 1 16 VAL QG 1 102 PRO QD 3.590 . 3.590 2.892 2.576 3.386 . 0 0 "[ . 1 . 2]" 1
27 1 16 VAL QG 1 102 PRO QG 5.300 . 5.300 3.140 2.034 4.287 . 0 0 "[ . 1 . 2]" 1
28 1 16 VAL QG 1 105 VAL QG 3.310 . 3.310 2.617 1.860 3.120 . 0 0 "[ . 1 . 2]" 1
29 1 17 ARG H 1 17 ARG HA 3.000 . 3.000 2.630 2.273 2.929 . 0 0 "[ . 1 . 2]" 1
30 1 17 ARG H 1 17 ARG QG 4.440 . 4.440 4.032 3.719 4.335 . 0 0 "[ . 1 . 2]" 1
31 1 17 ARG H 1 18 VAL H . . 4.300 3.955 3.187 4.482 0.182 15 0 "[ . 1 . 2]" 1
32 1 17 ARG H 1 124 GLY QA 5.120 . 5.120 4.633 3.251 5.208 0.088 7 0 "[ . 1 . 2]" 1
33 1 17 ARG HA 1 17 ARG QD 4.130 . 4.130 3.059 2.154 4.087 . 0 0 "[ . 1 . 2]" 1
34 1 17 ARG HA 1 18 VAL H 2.200 . 2.200 2.165 2.109 2.264 0.064 8 0 "[ . 1 . 2]" 1
35 1 17 ARG HA 1 18 VAL QG 4.000 . 4.000 3.570 3.127 3.862 . 0 0 "[ . 1 . 2]" 1
36 1 17 ARG HA 1 96 ILE MG 4.480 . 4.480 3.980 3.518 4.565 0.085 14 0 "[ . 1 . 2]" 1
37 1 17 ARG HA 1 97 VAL H 5.500 . 5.500 4.917 4.665 5.125 . 0 0 "[ . 1 . 2]" 1
38 1 17 ARG QB 1 17 ARG QD 3.220 . 3.220 2.266 2.010 2.816 . 0 0 "[ . 1 . 2]" 1
39 1 17 ARG QB 1 18 VAL H 3.850 . 3.850 3.719 3.186 3.912 0.062 1 0 "[ . 1 . 2]" 1
40 1 17 ARG QB 1 96 ILE MG 4.260 . 4.260 4.223 3.615 4.529 0.269 19 0 "[ . 1 . 2]" 1
41 1 17 ARG QB 1 124 GLY H 4.880 . 4.880 3.805 2.842 4.659 . 0 0 "[ . 1 . 2]" 1
42 1 17 ARG QB 1 124 GLY QA 4.210 . 4.210 2.860 2.153 3.875 . 0 0 "[ . 1 . 2]" 1
43 1 17 ARG QD 1 18 VAL HA 4.640 . 4.640 3.925 3.025 4.747 0.107 17 0 "[ . 1 . 2]" 1
44 1 17 ARG QD 1 18 VAL QG 5.900 . 5.900 4.360 3.908 5.041 . 0 0 "[ . 1 . 2]" 1
45 1 17 ARG QD 1 19 VAL HA 4.810 . 4.810 4.571 4.174 4.942 0.132 8 0 "[ . 1 . 2]" 1
46 1 17 ARG QD 1 19 VAL QG 3.520 . 3.520 2.537 2.034 2.919 . 0 0 "[ . 1 . 2]" 1
47 1 17 ARG QD 1 96 ILE HB 5.300 . 5.300 4.939 4.648 5.341 0.041 7 0 "[ . 1 . 2]" 1
48 1 17 ARG QD 1 96 ILE MD 5.090 . 5.090 3.989 3.407 4.730 . 0 0 "[ . 1 . 2]" 1
49 1 17 ARG QD 1 96 ILE QG 4.600 . 4.600 3.865 3.356 4.504 . 0 0 "[ . 1 . 2]" 1
50 1 17 ARG QD 1 96 ILE MG 3.490 . 3.490 2.212 1.936 2.560 . 0 0 "[ . 1 . 2]" 1
51 1 17 ARG QD 1 124 GLY QA 4.350 . 4.350 3.990 3.280 4.439 0.089 20 0 "[ . 1 . 2]" 1
52 1 17 ARG QG 1 18 VAL H 5.500 . 5.500 3.129 2.251 4.294 . 0 0 "[ . 1 . 2]" 1
53 1 17 ARG QG 1 18 VAL HA 6.000 . 6.000 4.356 3.420 5.805 . 0 0 "[ . 1 . 2]" 1
54 1 17 ARG QG 1 96 ILE MG 4.700 . 4.700 3.099 2.041 4.378 . 0 0 "[ . 1 . 2]" 1
55 1 18 VAL H 1 18 VAL HA 3.000 . 3.000 2.944 2.912 2.964 . 0 0 "[ . 1 . 2]" 1
56 1 18 VAL H 1 18 VAL QG 3.800 . 3.800 2.658 2.051 2.966 . 0 0 "[ . 1 . 2]" 1
57 1 18 VAL H 1 19 VAL H 4.300 . 4.300 4.353 4.276 4.398 0.098 16 0 "[ . 1 . 2]" 1
58 1 18 VAL H 1 97 VAL H 3.200 . 3.200 3.158 2.935 3.302 0.102 1 0 "[ . 1 . 2]" 1
59 1 18 VAL H 1 105 VAL HB 5.500 . 5.500 5.418 4.840 5.718 0.218 7 0 "[ . 1 . 2]" 1
60 1 18 VAL HA 1 19 VAL H 2.200 . 2.200 2.199 2.138 2.244 0.044 18 0 "[ . 1 . 2]" 1
61 1 18 VAL HA 1 19 VAL QG 3.670 . 3.670 3.473 3.332 3.602 . 0 0 "[ . 1 . 2]" 1
62 1 18 VAL HA 1 105 VAL HA 5.500 . 5.500 5.601 5.224 5.743 0.243 16 0 "[ . 1 . 2]" 1
63 1 18 VAL HA 1 105 VAL HB 5.500 . 5.500 4.676 4.137 5.645 0.145 14 0 "[ . 1 . 2]" 1
64 1 18 VAL HA 1 105 VAL QG 5.040 . 5.040 4.433 3.041 4.863 . 0 0 "[ . 1 . 2]" 1
65 1 18 VAL HA 1 122 GLN QG 5.410 . 5.410 4.586 4.159 4.941 . 0 0 "[ . 1 . 2]" 1
66 1 18 VAL HA 1 123 ASP H 5.500 . 5.500 5.053 4.743 5.310 . 0 0 "[ . 1 . 2]" 1
67 1 18 VAL HA 1 123 ASP QB 5.800 . 5.800 3.956 3.513 4.727 . 0 0 "[ . 1 . 2]" 1
68 1 18 VAL HA 1 124 GLY H 4.090 . 4.090 3.170 2.264 3.897 . 0 0 "[ . 1 . 2]" 1
69 1 18 VAL HB 1 19 VAL H 3.820 . 3.820 4.019 3.759 4.178 0.358 8 0 "[ . 1 . 2]" 1
70 1 18 VAL HB 1 97 VAL H 5.500 . 5.500 3.472 2.881 5.449 . 0 0 "[ . 1 . 2]" 1
71 1 18 VAL HB 1 97 VAL HB 4.500 . 4.500 3.131 2.174 4.696 0.196 14 0 "[ . 1 . 2]" 1
72 1 18 VAL HB 1 123 ASP QB 6.000 . 6.000 5.409 3.727 6.110 0.110 4 0 "[ . 1 . 2]" 1
73 1 18 VAL QG 1 19 VAL H 3.500 . 3.500 2.379 2.117 2.654 . 0 0 "[ . 1 . 2]" 1
74 1 18 VAL QG 1 97 VAL HB 5.300 . 5.300 3.364 1.853 4.892 . 0 0 "[ . 1 . 2]" 1
75 1 18 VAL QG 1 97 VAL QG 3.200 . 3.200 2.919 2.369 3.292 0.092 17 0 "[ . 1 . 2]" 1
76 1 18 VAL QG 1 99 ALA H 4.100 . 4.100 3.170 2.746 3.783 . 0 0 "[ . 1 . 2]" 1
77 1 18 VAL QG 1 104 ASP QB 6.000 . 6.000 4.987 4.754 5.301 . 0 0 "[ . 1 . 2]" 1
78 1 18 VAL QG 1 105 VAL HA 4.400 . 4.400 2.285 1.947 3.212 . 0 0 "[ . 1 . 2]" 1
79 1 18 VAL QG 1 105 VAL HB 5.500 . 5.500 2.354 1.977 3.659 . 0 0 "[ . 1 . 2]" 1
80 1 18 VAL QG 1 105 VAL QG 3.400 . 3.400 2.414 1.803 3.437 0.037 16 0 "[ . 1 . 2]" 1
81 1 18 VAL QG 1 106 LYS HA 5.600 . 5.600 4.368 3.944 5.124 . 0 0 "[ . 1 . 2]" 1
82 1 18 VAL QG 1 108 ILE HA 6.000 . 6.000 4.573 4.122 4.896 . 0 0 "[ . 1 . 2]" 1
83 1 18 VAL QG 1 108 ILE HB 4.400 . 4.400 2.496 2.027 2.814 . 0 0 "[ . 1 . 2]" 1
84 1 18 VAL QG 1 108 ILE MG 3.800 . 3.800 2.467 1.930 2.867 . 0 0 "[ . 1 . 2]" 1
85 1 18 VAL QG 1 109 ALA HA 4.000 . 4.000 2.693 2.047 3.134 . 0 0 "[ . 1 . 2]" 1
86 1 18 VAL QG 1 109 ALA MB 3.500 . 3.500 2.360 2.023 2.653 . 0 0 "[ . 1 . 2]" 1
87 1 18 VAL QG 1 121 VAL HA 6.000 . 6.000 4.421 4.189 4.654 . 0 0 "[ . 1 . 2]" 1
88 1 18 VAL QG 1 123 ASP HA 4.400 . 4.400 2.571 1.972 3.286 . 0 0 "[ . 1 . 2]" 1
89 1 18 VAL QG 1 123 ASP QB 5.600 . 5.600 2.928 2.153 4.020 . 0 0 "[ . 1 . 2]" 1
90 1 18 VAL QG 1 124 GLY H 4.900 . 4.900 3.442 2.708 4.532 . 0 0 "[ . 1 . 2]" 1
91 1 18 VAL QG 1 124 GLY QA 6.500 . 6.500 4.574 3.992 5.107 . 0 0 "[ . 1 . 2]" 1
92 1 19 VAL H 1 19 VAL HA 3.000 . 3.000 2.961 2.952 2.967 . 0 0 "[ . 1 . 2]" 1
93 1 19 VAL H 1 20 VAL H 4.300 . 4.300 4.316 4.232 4.342 0.042 10 0 "[ . 1 . 2]" 1
94 1 19 VAL H 1 122 GLN H . . 3.200 3.254 3.122 3.392 0.192 4 0 "[ . 1 . 2]" 1
95 1 19 VAL H 1 122 GLN QB 4.800 . 4.800 4.255 3.735 4.880 0.080 15 0 "[ . 1 . 2]" 1
96 1 19 VAL HA 1 20 VAL H 2.200 . 2.200 2.163 2.141 2.184 . 0 0 "[ . 1 . 2]" 1
97 1 19 VAL HA 1 21 TYR QD 5.500 . 5.500 5.616 5.303 5.905 0.405 9 0 "[ . 1 . 2]" 1
98 1 19 VAL HA 1 21 TYR QE 5.500 . 5.500 5.311 5.004 5.532 0.032 9 0 "[ . 1 . 2]" 1
99 1 19 VAL HA 1 96 ILE HA 2.400 . 2.400 2.538 2.483 2.590 0.190 9 0 "[ . 1 . 2]" 1
100 1 19 VAL HA 1 96 ILE QG 3.910 . 3.910 3.684 3.535 3.811 . 0 0 "[ . 1 . 2]" 1
101 1 19 VAL HA 1 97 VAL H . . 3.800 3.384 3.242 3.552 . 0 0 "[ . 1 . 2]" 1
102 1 19 VAL HA 1 122 GLN QG 5.500 . 5.500 5.281 4.322 5.701 0.201 14 0 "[ . 1 . 2]" 1
103 1 19 VAL HB 1 21 TYR QD 5.390 . 5.390 4.377 4.036 4.864 . 0 0 "[ . 1 . 2]" 1
104 1 19 VAL HB 1 21 TYR QE 4.480 . 4.480 3.042 2.618 3.763 . 0 0 "[ . 1 . 2]" 1
105 1 19 VAL HB 1 122 GLN H 3.660 . 3.660 3.368 2.969 3.699 0.039 3 0 "[ . 1 . 2]" 1
106 1 19 VAL HB 1 122 GLN QB 5.200 . 5.200 3.241 2.220 4.357 . 0 0 "[ . 1 . 2]" 1
107 1 19 VAL HB 1 122 GLN QG 4.180 . 4.180 2.761 1.980 3.200 . 0 0 "[ . 1 . 2]" 1
108 1 19 VAL QG 1 20 VAL H 5.500 . 5.500 2.721 2.621 2.903 . 0 0 "[ . 1 . 2]" 1
109 1 19 VAL QG 1 20 VAL QG 4.900 . 4.900 3.863 3.778 3.932 . 0 0 "[ . 1 . 2]" 1
110 1 19 VAL QG 1 21 TYR QD . . 5.500 3.018 2.693 3.163 . 0 0 "[ . 1 . 2]" 1
111 1 19 VAL QG 1 21 TYR QE 4.700 . 4.700 2.477 1.972 2.682 . 0 0 "[ . 1 . 2]" 1
112 1 19 VAL QG 1 64 SER QB 6.000 . 6.000 3.892 3.597 4.073 . 0 0 "[ . 1 . 2]" 1
113 1 19 VAL QG 1 94 ALA H 5.040 . 5.040 4.856 4.327 5.169 0.129 19 0 "[ . 1 . 2]" 1
114 1 19 VAL QG 1 94 ALA HA 4.450 . 4.450 3.348 2.596 3.856 . 0 0 "[ . 1 . 2]" 1
115 1 19 VAL QG 1 94 ALA MB 2.920 . 2.920 2.042 1.788 2.594 . 0 0 "[ . 1 . 2]" 1
116 1 19 VAL QG 1 96 ILE H . . 5.000 4.093 3.729 4.431 . 0 0 "[ . 1 . 2]" 1
117 1 19 VAL QG 1 96 ILE HA 3.930 . 3.930 2.740 2.539 3.001 . 0 0 "[ . 1 . 2]" 1
118 1 19 VAL QG 1 96 ILE HB 5.440 . 5.440 4.457 4.226 4.662 . 0 0 "[ . 1 . 2]" 1
119 1 19 VAL QG 1 96 ILE MD 3.490 . 3.490 3.511 3.237 3.665 0.175 5 0 "[ . 1 . 2]" 1
120 1 19 VAL QG 1 96 ILE QG 3.890 . 3.890 2.367 2.086 2.536 . 0 0 "[ . 1 . 2]" 1
121 1 19 VAL QG 1 96 ILE MG 4.550 . 4.550 2.733 2.418 3.161 . 0 0 "[ . 1 . 2]" 1
122 1 19 VAL QG 1 97 VAL H 5.130 . 5.130 3.941 3.777 4.109 . 0 0 "[ . 1 . 2]" 1
123 1 19 VAL QG 1 121 VAL QG 4.850 . 4.850 4.313 4.030 4.918 0.068 10 0 "[ . 1 . 2]" 1
124 1 19 VAL QG 1 122 GLN H 4.510 . 4.510 3.782 3.514 3.992 . 0 0 "[ . 1 . 2]" 1
125 1 19 VAL QG 1 122 GLN QB 5.400 . 5.400 3.689 2.980 4.469 . 0 0 "[ . 1 . 2]" 1
126 1 19 VAL QG 1 122 GLN QG 4.800 . 4.800 3.187 2.720 3.516 . 0 0 "[ . 1 . 2]" 1
127 1 20 VAL H 1 20 VAL HA 3.000 . 3.000 2.961 2.944 2.969 . 0 0 "[ . 1 . 2]" 1
128 1 20 VAL H 1 20 VAL HB 3.590 . 3.590 2.566 2.493 2.744 . 0 0 "[ . 1 . 2]" 1
129 1 20 VAL H 1 20 VAL QG 3.470 . 3.470 2.533 2.241 2.750 . 0 0 "[ . 1 . 2]" 1
130 1 20 VAL H 1 21 TYR H 4.300 . 4.300 4.278 4.144 4.377 0.077 3 0 "[ . 1 . 2]" 1
131 1 20 VAL H 1 21 TYR HA 5.310 . 5.310 4.925 4.796 5.006 . 0 0 "[ . 1 . 2]" 1
132 1 20 VAL H 1 95 TYR H 3.200 . 3.200 2.371 2.003 2.730 . 0 0 "[ . 1 . 2]" 1
133 1 20 VAL H 1 96 ILE HA 3.800 . 3.800 3.819 3.764 3.935 0.135 12 0 "[ . 1 . 2]" 1
134 1 20 VAL HA 1 21 TYR H 2.200 . 2.200 2.173 2.138 2.212 0.012 11 0 "[ . 1 . 2]" 1
135 1 20 VAL HA 1 21 TYR QB 5.000 . 5.000 4.324 4.255 4.446 . 0 0 "[ . 1 . 2]" 1
136 1 20 VAL HA 1 21 TYR QD 5.170 . 5.170 3.520 3.243 4.508 . 0 0 "[ . 1 . 2]" 1
137 1 20 VAL HA 1 21 TYR QE 5.500 . 5.500 5.041 4.849 5.470 . 0 0 "[ . 1 . 2]" 1
138 1 20 VAL HA 1 95 TYR H 5.000 . 5.000 4.216 3.901 4.367 . 0 0 "[ . 1 . 2]" 1
139 1 20 VAL HA 1 121 VAL HA . . 2.400 2.374 2.183 2.495 0.095 19 0 "[ . 1 . 2]" 1
140 1 20 VAL HA 1 121 VAL HB 4.570 . 4.570 4.430 2.765 4.815 0.245 4 0 "[ . 1 . 2]" 1
141 1 20 VAL HA 1 121 VAL QG 4.800 . 4.800 2.321 2.032 3.146 . 0 0 "[ . 1 . 2]" 1
142 1 20 VAL HA 1 122 GLN H . . 3.800 3.539 3.289 3.827 0.027 15 0 "[ . 1 . 2]" 1
143 1 20 VAL HB 1 21 TYR H 5.500 . 5.500 4.345 4.219 4.457 . 0 0 "[ . 1 . 2]" 1
144 1 20 VAL HB 1 22 ILE QG 6.000 . 6.000 4.326 4.001 5.179 . 0 0 "[ . 1 . 2]" 1
145 1 20 VAL HB 1 52 LEU QB 6.000 . 6.000 5.414 5.107 5.867 . 0 0 "[ . 1 . 2]" 1
146 1 20 VAL HB 1 52 LEU QD 3.790 . 3.790 2.865 2.593 3.212 . 0 0 "[ . 1 . 2]" 1
147 1 20 VAL HB 1 95 TYR H 4.110 . 4.110 3.088 2.667 3.311 . 0 0 "[ . 1 . 2]" 1
148 1 20 VAL HB 1 95 TYR HA 5.500 . 5.500 4.637 4.490 4.803 . 0 0 "[ . 1 . 2]" 1
149 1 20 VAL HB 1 95 TYR QD 4.440 . 4.440 3.473 3.329 3.578 . 0 0 "[ . 1 . 2]" 1
150 1 20 VAL HB 1 95 TYR QE 5.500 . 5.500 5.683 5.587 5.754 0.254 1 0 "[ . 1 . 2]" 1
151 1 20 VAL HB 1 112 ALA MB 4.200 . 4.200 3.837 3.526 4.228 0.028 9 0 "[ . 1 . 2]" 1
152 1 20 VAL HB 1 121 VAL HA 5.500 . 5.500 5.364 5.138 5.511 0.011 19 0 "[ . 1 . 2]" 1
153 1 20 VAL QG 1 21 TYR H 5.500 . 5.500 2.905 2.704 3.090 . 0 0 "[ . 1 . 2]" 1
154 1 20 VAL QG 1 52 LEU QB 5.400 . 5.400 4.290 3.851 4.654 . 0 0 "[ . 1 . 2]" 1
155 1 20 VAL QG 1 52 LEU QD 2.430 . 2.430 2.231 1.995 2.535 0.105 12 0 "[ . 1 . 2]" 1
156 1 20 VAL QG 1 95 TYR HA 6.000 . 6.000 4.903 4.716 5.059 . 0 0 "[ . 1 . 2]" 1
157 1 20 VAL QG 1 95 TYR QB 6.300 . 6.300 2.787 2.631 2.952 . 0 0 "[ . 1 . 2]" 1
158 1 20 VAL QG 1 95 TYR QD 4.180 . 4.180 3.385 2.982 3.593 . 0 0 "[ . 1 . 2]" 1
159 1 20 VAL QG 1 109 ALA HA 4.320 . 4.320 3.374 2.882 3.674 . 0 0 "[ . 1 . 2]" 1
160 1 20 VAL QG 1 112 ALA MB 3.800 . 3.800 1.835 1.682 2.165 . 0 0 "[ . 1 . 2]" 1
161 1 20 VAL QG 1 121 VAL HA 5.600 . 5.600 3.236 2.959 3.411 . 0 0 "[ . 1 . 2]" 1
162 1 20 VAL QG 1 121 VAL HB 4.080 . 4.080 3.747 2.311 4.125 0.045 6 0 "[ . 1 . 2]" 1
163 1 20 VAL QG 1 121 VAL QG 2.910 . 2.910 1.809 1.666 2.409 . 0 0 "[ . 1 . 2]" 1
164 1 21 TYR H 1 21 TYR HA 3.000 . 3.000 2.874 2.844 2.894 . 0 0 "[ . 1 . 2]" 1
165 1 21 TYR H 1 22 ILE H 4.300 . 4.300 4.476 4.418 4.521 0.221 7 0 "[ . 1 . 2]" 1
166 1 21 TYR H 1 22 ILE HA 5.500 . 5.500 5.257 5.157 5.359 . 0 0 "[ . 1 . 2]" 1
167 1 21 TYR H 1 94 ALA HA 5.500 . 5.500 4.412 4.089 4.578 . 0 0 "[ . 1 . 2]" 1
168 1 21 TYR H 1 119 SER H 5.500 . 5.500 4.647 4.370 5.067 . 0 0 "[ . 1 . 2]" 1
169 1 21 TYR H 1 120 GLU H . . 3.200 3.227 3.125 3.382 0.182 9 0 "[ . 1 . 2]" 1
170 1 21 TYR H 1 120 GLU HA 4.920 . 4.920 4.829 4.750 4.877 . 0 0 "[ . 1 . 2]" 1
171 1 21 TYR H 1 120 GLU QB 4.700 . 4.700 3.998 3.619 4.260 . 0 0 "[ . 1 . 2]" 1
172 1 21 TYR H 1 121 VAL HA 3.800 . 3.800 2.858 2.631 3.028 . 0 0 "[ . 1 . 2]" 1
173 1 21 TYR H 1 122 GLN H 4.410 . 4.410 4.336 4.007 4.518 0.108 12 0 "[ . 1 . 2]" 1
174 1 21 TYR HA 1 21 TYR QD 4.210 . 4.210 2.914 1.971 3.072 . 0 0 "[ . 1 . 2]" 1
175 1 21 TYR HA 1 21 TYR QE 4.740 . 4.740 4.537 4.304 4.600 . 0 0 "[ . 1 . 2]" 1
176 1 21 TYR HA 1 22 ILE H 2.200 . 2.200 2.137 2.086 2.188 . 0 0 "[ . 1 . 2]" 1
177 1 21 TYR HA 1 22 ILE HB 5.500 . 5.500 4.675 4.466 4.977 . 0 0 "[ . 1 . 2]" 1
178 1 21 TYR HA 1 22 ILE QG 5.000 . 5.000 3.321 3.146 3.646 . 0 0 "[ . 1 . 2]" 1
179 1 21 TYR HA 1 22 ILE MG 5.500 . 5.500 5.355 5.223 5.424 . 0 0 "[ . 1 . 2]" 1
180 1 21 TYR HA 1 92 TYR QB 5.900 . 5.900 4.319 2.682 4.928 . 0 0 "[ . 1 . 2]" 1
181 1 21 TYR HA 1 92 TYR QD 5.380 . 5.380 4.327 3.400 5.547 0.167 12 0 "[ . 1 . 2]" 1
182 1 21 TYR HA 1 94 ALA HA 4.300 . 4.300 2.291 2.088 2.468 . 0 0 "[ . 1 . 2]" 1
183 1 21 TYR HA 1 94 ALA MB 3.650 . 3.650 3.226 2.220 3.776 0.126 20 0 "[ . 1 . 2]" 1
184 1 21 TYR HA 1 95 TYR H 3.820 . 3.820 3.701 3.449 3.857 0.037 9 0 "[ . 1 . 2]" 1
185 1 21 TYR HA 1 120 GLU H 4.600 . 4.600 4.539 4.344 4.650 0.050 8 0 "[ . 1 . 2]" 1
186 1 21 TYR HA 1 120 GLU QB 6.000 . 6.000 5.266 4.674 5.681 . 0 0 "[ . 1 . 2]" 1
187 1 21 TYR QB 1 22 ILE H 4.800 . 4.800 2.975 2.783 3.151 . 0 0 "[ . 1 . 2]" 1
188 1 21 TYR QB 1 92 TYR QB 5.700 . 5.700 3.603 2.259 4.245 . 0 0 "[ . 1 . 2]" 1
189 1 21 TYR QB 1 92 TYR QD 5.400 . 5.400 2.508 1.901 3.772 . 0 0 "[ . 1 . 2]" 1
190 1 21 TYR QB 1 92 TYR QE 5.600 . 5.600 3.603 2.002 5.645 0.045 3 0 "[ . 1 . 2]" 1
191 1 21 TYR QB 1 94 ALA HA 6.000 . 6.000 4.336 4.147 4.478 . 0 0 "[ . 1 . 2]" 1
192 1 21 TYR QB 1 94 ALA MB 6.000 . 6.000 4.364 3.608 4.765 . 0 0 "[ . 1 . 2]" 1
193 1 21 TYR QB 1 118 VAL QG 5.100 . 5.100 3.953 3.347 4.567 . 0 0 "[ . 1 . 2]" 1
194 1 21 TYR QB 1 119 SER H 5.200 . 5.200 3.677 3.464 3.941 . 0 0 "[ . 1 . 2]" 1
195 1 21 TYR QB 1 119 SER QB 5.800 . 5.800 2.909 2.210 3.784 . 0 0 "[ . 1 . 2]" 1
196 1 21 TYR QB 1 120 GLU H 3.000 . 3.000 2.274 1.917 2.528 . 0 0 "[ . 1 . 2]" 1
197 1 21 TYR QB 1 120 GLU QB 5.000 . 5.000 2.464 1.993 2.906 . 0 0 "[ . 1 . 2]" 1
198 1 21 TYR QB 1 120 GLU QG 5.600 . 5.600 4.068 3.095 4.470 . 0 0 "[ . 1 . 2]" 1
199 1 21 TYR QD 1 22 ILE H 6.000 . 6.000 3.931 3.615 4.150 . 0 0 "[ . 1 . 2]" 1
200 1 21 TYR QD 1 92 TYR HA 5.500 . 5.500 5.273 4.473 5.757 0.257 15 0 "[ . 1 . 2]" 1
201 1 21 TYR QD 1 92 TYR QB 4.800 . 4.800 3.631 2.001 4.690 . 0 0 "[ . 1 . 2]" 1
202 1 21 TYR QD 1 92 TYR QD 4.180 . 4.180 3.242 2.421 4.231 0.051 3 0 "[ . 1 . 2]" 1
203 1 21 TYR QD 1 94 ALA HA 4.320 . 4.320 3.966 2.351 4.312 . 0 0 "[ . 1 . 2]" 1
204 1 21 TYR QD 1 94 ALA MB 3.800 . 3.800 3.294 1.853 3.789 . 0 0 "[ . 1 . 2]" 1
205 1 21 TYR QD 1 119 SER QB 5.500 . 5.500 4.752 4.056 5.528 0.028 9 0 "[ . 1 . 2]" 1
206 1 21 TYR QD 1 120 GLU HA 5.470 . 5.470 4.970 4.369 5.348 . 0 0 "[ . 1 . 2]" 1
207 1 21 TYR QD 1 120 GLU QB 4.900 . 4.900 3.140 2.000 3.646 . 0 0 "[ . 1 . 2]" 1
208 1 21 TYR QD 1 120 GLU QG 4.840 . 4.840 3.935 2.780 4.504 . 0 0 "[ . 1 . 2]" 1
209 1 21 TYR QD 1 121 VAL HA 5.180 . 5.180 3.042 2.593 4.242 . 0 0 "[ . 1 . 2]" 1
210 1 21 TYR QD 1 122 GLN QB . . 5.500 3.829 3.403 4.461 . 0 0 "[ . 1 . 2]" 1
211 1 21 TYR QD 1 122 GLN QG 5.500 . 5.500 4.841 3.119 5.599 0.099 19 0 "[ . 1 . 2]" 1
212 1 21 TYR QE 1 22 ILE H 6.500 . 6.500 5.925 5.760 6.073 . 0 0 "[ . 1 . 2]" 1
213 1 21 TYR QE 1 92 TYR QD 5.500 . 5.500 5.209 4.554 5.549 0.049 4 0 "[ . 1 . 2]" 1
214 1 21 TYR QE 1 94 ALA HA 5.060 . 5.060 4.894 3.861 5.253 0.193 11 0 "[ . 1 . 2]" 1
215 1 21 TYR QE 1 94 ALA MB 3.450 . 3.450 3.213 2.436 3.584 0.134 1 0 "[ . 1 . 2]" 1
216 1 21 TYR QE 1 120 GLU QB 5.100 . 5.100 4.606 3.819 5.058 . 0 0 "[ . 1 . 2]" 1
217 1 21 TYR QE 1 120 GLU QG 5.500 . 5.500 4.919 3.908 5.588 0.088 19 0 "[ . 1 . 2]" 1
218 1 21 TYR QE 1 121 VAL HA 5.500 . 5.500 4.461 4.051 4.845 . 0 0 "[ . 1 . 2]" 1
219 1 21 TYR QE 1 122 GLN HA 5.500 . 5.500 5.092 4.330 5.528 0.028 15 0 "[ . 1 . 2]" 1
220 1 21 TYR QE 1 122 GLN QB 4.600 . 4.600 2.592 1.891 3.612 . 0 0 "[ . 1 . 2]" 1
221 1 21 TYR QE 1 122 GLN QG 4.200 . 4.200 3.322 1.931 4.142 . 0 0 "[ . 1 . 2]" 1
222 1 22 ILE H 1 22 ILE HA 3.000 . 3.000 2.948 2.915 2.964 . 0 0 "[ . 1 . 2]" 1
223 1 22 ILE H 1 22 ILE MD 4.020 . 4.020 3.743 3.192 3.873 . 0 0 "[ . 1 . 2]" 1
224 1 22 ILE H 1 23 ARG H 5.500 . 5.500 4.518 4.414 4.582 . 0 0 "[ . 1 . 2]" 1
225 1 22 ILE H 1 92 TYR QB 3.500 . 3.500 3.131 2.165 3.481 . 0 0 "[ . 1 . 2]" 1
226 1 22 ILE H 1 94 ALA HA 5.500 . 5.500 3.375 2.930 3.806 . 0 0 "[ . 1 . 2]" 1
227 1 22 ILE H 1 95 TYR H 4.900 . 4.900 4.926 4.809 5.070 0.170 3 0 "[ . 1 . 2]" 1
228 1 22 ILE H 1 118 VAL HA 5.500 . 5.500 5.158 4.661 5.448 . 0 0 "[ . 1 . 2]" 1
229 1 22 ILE HA 1 22 ILE MD 4.390 . 4.390 3.771 2.169 3.903 . 0 0 "[ . 1 . 2]" 1
230 1 22 ILE HA 1 23 ARG H 5.500 . 5.500 2.258 2.172 2.377 . 0 0 "[ . 1 . 2]" 1
231 1 22 ILE HA 1 26 VAL QG 4.520 . 4.520 4.134 3.706 4.685 0.165 19 0 "[ . 1 . 2]" 1
232 1 22 ILE HA 1 95 TYR QD 6.000 . 6.000 5.420 5.067 5.900 . 0 0 "[ . 1 . 2]" 1
233 1 22 ILE HA 1 118 VAL H 5.500 . 5.500 5.078 4.852 5.322 . 0 0 "[ . 1 . 2]" 1
234 1 22 ILE HA 1 118 VAL HA 3.980 . 3.980 2.565 2.086 2.735 . 0 0 "[ . 1 . 2]" 1
235 1 22 ILE HA 1 119 SER H 3.000 . 3.000 2.495 2.160 2.777 . 0 0 "[ . 1 . 2]" 1
236 1 22 ILE HA 1 119 SER QB 6.000 . 6.000 3.483 3.035 4.218 . 0 0 "[ . 1 . 2]" 1
237 1 22 ILE HB 1 22 ILE MD 3.390 . 3.390 2.352 2.182 3.187 . 0 0 "[ . 1 . 2]" 1
238 1 22 ILE HB 1 26 VAL QG 4.000 . 4.000 3.654 1.980 4.346 0.346 19 0 "[ . 1 . 2]" 1
239 1 22 ILE HB 1 28 ASP QB 5.100 . 5.100 4.533 3.034 5.291 0.191 10 0 "[ . 1 . 2]" 1
240 1 22 ILE HB 1 63 PHE QE 5.110 . 5.110 4.379 3.339 5.000 . 0 0 "[ . 1 . 2]" 1
241 1 22 ILE HB 1 63 PHE HZ 5.500 . 5.500 5.352 4.184 5.569 0.069 17 0 "[ . 1 . 2]" 1
242 1 22 ILE HB 1 92 TYR QD 5.240 . 5.240 5.046 4.146 5.434 0.194 18 0 "[ . 1 . 2]" 1
243 1 22 ILE HB 1 93 ASP H 5.500 . 5.500 3.613 2.939 5.237 . 0 0 "[ . 1 . 2]" 1
244 1 22 ILE HB 1 93 ASP HA 5.360 . 5.360 4.924 4.747 5.139 . 0 0 "[ . 1 . 2]" 1
245 1 22 ILE HB 1 93 ASP QB 4.700 . 4.700 2.227 1.956 3.501 . 0 0 "[ . 1 . 2]" 1
246 1 22 ILE HB 1 94 ALA H 5.400 . 5.400 5.183 3.777 5.590 0.190 15 0 "[ . 1 . 2]" 1
247 1 22 ILE HB 1 94 ALA HA 5.500 . 5.500 5.120 4.115 5.622 0.122 5 0 "[ . 1 . 2]" 1
248 1 22 ILE HB 1 95 TYR QD 5.500 . 5.500 5.195 4.571 5.726 0.226 10 0 "[ . 1 . 2]" 1
249 1 22 ILE HB 1 118 VAL HA 5.500 . 5.500 5.426 5.056 5.614 0.114 10 0 "[ . 1 . 2]" 1
250 1 22 ILE HB 1 119 SER H 5.500 . 5.500 5.321 5.003 5.616 0.116 7 0 "[ . 1 . 2]" 1
251 1 22 ILE MD 1 22 ILE MG 2.850 . 2.850 1.984 1.822 2.108 . 0 0 "[ . 1 . 2]" 1
252 1 22 ILE MD 1 23 ARG H 5.500 . 5.500 4.789 3.881 5.062 . 0 0 "[ . 1 . 2]" 1
253 1 22 ILE MD 1 28 ASP QB 3.310 . 3.310 2.490 1.841 3.612 0.302 10 0 "[ . 1 . 2]" 1
254 1 22 ILE MD 1 48 VAL HA 5.500 . 5.500 5.360 4.653 5.649 0.149 4 0 "[ . 1 . 2]" 1
255 1 22 ILE MD 1 48 VAL HB 4.760 . 4.760 3.174 2.337 3.856 . 0 0 "[ . 1 . 2]" 1
256 1 22 ILE MD 1 48 VAL QG 2.900 . 2.900 2.312 1.853 2.725 . 0 0 "[ . 1 . 2]" 1
257 1 22 ILE MD 1 61 VAL QG 5.500 . 5.500 5.401 4.993 5.734 0.234 6 0 "[ . 1 . 2]" 1
258 1 22 ILE MD 1 63 PHE QB 5.500 . 5.500 5.019 4.536 5.600 0.100 10 0 "[ . 1 . 2]" 1
259 1 22 ILE MD 1 63 PHE QE 3.880 . 3.880 2.309 1.800 3.206 . 0 0 "[ . 1 . 2]" 1
260 1 22 ILE MD 1 63 PHE HZ 4.790 . 4.790 3.967 3.477 5.090 0.300 10 0 "[ . 1 . 2]" 1
261 1 22 ILE MD 1 93 ASP QB 3.350 . 3.350 2.423 1.951 3.729 0.379 9 0 "[ . 1 . 2]" 1
262 1 22 ILE MD 1 94 ALA HA 4.950 . 4.950 4.203 3.326 4.891 . 0 0 "[ . 1 . 2]" 1
263 1 22 ILE MD 1 95 TYR QD 3.460 . 3.460 2.276 1.764 2.600 . 0 0 "[ . 1 . 2]" 1
264 1 22 ILE MD 1 95 TYR QE 3.350 . 3.350 1.985 1.785 2.425 . 0 0 "[ . 1 . 2]" 1
265 1 22 ILE MD 1 118 VAL HA 5.190 . 5.190 5.028 3.276 5.342 0.152 19 0 "[ . 1 . 2]" 1
266 1 22 ILE QG 1 23 ARG H 5.500 . 5.500 4.154 3.864 4.529 . 0 0 "[ . 1 . 2]" 1
267 1 22 ILE QG 1 48 VAL QG 4.900 . 4.900 2.849 2.220 3.928 . 0 0 "[ . 1 . 2]" 1
268 1 22 ILE QG 1 93 ASP H 5.700 . 5.700 4.808 3.610 5.802 0.102 5 0 "[ . 1 . 2]" 1
269 1 22 ILE QG 1 93 ASP QB 5.700 . 5.700 3.037 1.951 4.781 . 0 0 "[ . 1 . 2]" 1
270 1 22 ILE QG 1 94 ALA HA 5.700 . 5.700 3.430 2.696 4.437 . 0 0 "[ . 1 . 2]" 1
271 1 22 ILE QG 1 95 TYR QD 5.100 . 5.100 2.763 2.535 3.463 . 0 0 "[ . 1 . 2]" 1
272 1 22 ILE QG 1 95 TYR QE 5.700 . 5.700 3.612 3.236 3.939 . 0 0 "[ . 1 . 2]" 1
273 1 22 ILE QG 1 118 VAL HA 6.000 . 6.000 3.760 3.194 5.130 . 0 0 "[ . 1 . 2]" 1
274 1 22 ILE QG 1 120 GLU H 6.000 . 6.000 5.460 5.205 6.084 0.084 10 0 "[ . 1 . 2]" 1
275 1 22 ILE MG 1 23 ARG H 5.500 . 5.500 2.150 1.908 2.495 . 0 0 "[ . 1 . 2]" 1
276 1 22 ILE MG 1 26 VAL H 5.500 . 5.500 4.015 3.112 4.782 . 0 0 "[ . 1 . 2]" 1
277 1 22 ILE MG 1 26 VAL HA 5.180 . 5.180 4.806 4.074 5.400 0.220 15 0 "[ . 1 . 2]" 1
278 1 22 ILE MG 1 26 VAL HB 4.000 . 4.000 3.312 1.909 4.268 0.268 7 0 "[ . 1 . 2]" 1
279 1 22 ILE MG 1 26 VAL QG 2.750 . 2.750 1.943 1.717 2.634 . 0 0 "[ . 1 . 2]" 1
280 1 22 ILE MG 1 28 ASP QB 3.740 . 3.740 2.965 2.010 3.665 . 0 0 "[ . 1 . 2]" 1
281 1 22 ILE MG 1 48 VAL HA 6.000 . 6.000 6.040 5.699 6.300 0.300 11 0 "[ . 1 . 2]" 1
282 1 22 ILE MG 1 48 VAL HB 4.590 . 4.590 4.384 4.024 4.682 0.092 19 0 "[ . 1 . 2]" 1
283 1 22 ILE MG 1 63 PHE QE 5.500 . 5.500 4.324 3.528 4.787 . 0 0 "[ . 1 . 2]" 1
284 1 22 ILE MG 1 63 PHE HZ 5.500 . 5.500 5.454 4.663 5.604 0.104 20 0 "[ . 1 . 2]" 1
285 1 22 ILE MG 1 92 TYR QD 5.500 . 5.500 5.362 4.767 5.689 0.189 8 0 "[ . 1 . 2]" 1
286 1 22 ILE MG 1 93 ASP QB 4.100 . 4.100 3.501 3.260 4.295 0.195 9 0 "[ . 1 . 2]" 1
287 1 22 ILE MG 1 95 TYR QE 4.110 . 4.110 4.069 3.560 4.372 0.262 20 0 "[ . 1 . 2]" 1
288 1 22 ILE MG 1 118 VAL H 5.020 . 5.020 4.823 4.361 5.116 0.096 20 0 "[ . 1 . 2]" 1
289 1 22 ILE MG 1 118 VAL HA 3.970 . 3.970 3.468 3.060 3.816 . 0 0 "[ . 1 . 2]" 1
290 1 22 ILE MG 1 120 GLU H 6.000 . 6.000 5.946 5.636 6.110 0.110 13 0 "[ . 1 . 2]" 1
291 1 23 ARG H 1 23 ARG QD 4.700 . 4.700 3.275 2.082 4.209 . 0 0 "[ . 1 . 2]" 1
292 1 23 ARG H 1 23 ARG QG 3.360 . 3.360 2.934 1.907 3.589 0.229 1 0 "[ . 1 . 2]" 1
293 1 23 ARG H 1 119 SER H 4.150 . 4.150 3.294 2.692 3.829 . 0 0 "[ . 1 . 2]" 1
294 1 23 ARG H 1 120 GLU H 5.500 . 5.500 5.528 5.247 5.747 0.247 15 0 "[ . 1 . 2]" 1
295 1 23 ARG HA 1 24 LYS H 5.500 . 5.500 2.321 2.172 2.510 . 0 0 "[ . 1 . 2]" 1
296 1 23 ARG HA 1 92 TYR QD 5.500 . 5.500 4.075 2.422 4.673 . 0 0 "[ . 1 . 2]" 1
297 1 23 ARG HA 1 92 TYR QE 5.500 . 5.500 4.516 2.385 5.332 . 0 0 "[ . 1 . 2]" 1
298 1 23 ARG HA 1 119 SER QB 4.400 . 4.400 2.244 1.932 2.844 . 0 0 "[ . 1 . 2]" 1
299 1 23 ARG QB 1 26 VAL H 4.500 . 4.500 3.547 2.353 4.588 0.088 13 0 "[ . 1 . 2]" 1
300 1 23 ARG QB 1 26 VAL QG 3.070 . 3.070 2.120 1.773 3.121 0.051 14 0 "[ . 1 . 2]" 1
301 1 23 ARG QB 1 119 SER QB 4.030 . 4.030 3.861 3.489 4.127 0.097 1 0 "[ . 1 . 2]" 1
302 1 23 ARG QD 1 24 LYS H 4.900 . 4.900 3.799 2.150 4.980 0.080 7 0 "[ . 1 . 2]" 1
303 1 23 ARG QD 1 26 VAL HB 6.000 . 6.000 5.451 3.841 6.300 0.300 19 0 "[ . 1 . 2]" 1
304 1 23 ARG QD 1 26 VAL QG 5.200 . 5.200 3.824 2.996 5.126 . 0 0 "[ . 1 . 2]" 1
305 1 23 ARG QD 1 117 GLY QA 5.000 . 5.000 3.904 2.209 5.090 0.090 3 0 "[ . 1 . 2]" 1
306 1 23 ARG QD 1 119 SER QB 3.100 . 3.100 2.884 2.172 3.236 0.136 20 0 "[ . 1 . 2]" 1
307 1 23 ARG QG 1 117 GLY QA 6.500 . 6.500 3.798 2.550 5.691 . 0 0 "[ . 1 . 2]" 1
308 1 23 ARG QG 1 119 SER H 5.040 . 5.040 4.219 3.114 5.161 0.121 18 0 "[ . 1 . 2]" 1
309 1 23 ARG QG 1 119 SER QB 3.840 . 3.840 2.826 2.017 3.642 . 0 0 "[ . 1 . 2]" 1
310 1 24 LYS H 1 24 LYS QG 4.000 . 4.000 2.997 1.995 4.033 0.033 3 0 "[ . 1 . 2]" 1
311 1 24 LYS H 1 92 TYR QE 4.930 . 4.930 4.435 2.190 5.150 0.220 5 0 "[ . 1 . 2]" 1
312 1 24 LYS HA 1 24 LYS QD 4.600 . 4.600 3.449 2.166 4.164 . 0 0 "[ . 1 . 2]" 1
313 1 24 LYS HA 1 24 LYS QE 4.550 . 4.550 4.278 3.683 4.601 0.051 6 0 "[ . 1 . 2]" 1
314 1 24 LYS HA 1 25 ASP H 5.500 . 5.500 3.245 2.203 3.588 . 0 0 "[ . 1 . 2]" 1
315 1 24 LYS HA 1 92 TYR QB 6.000 . 6.000 3.078 2.090 5.635 . 0 0 "[ . 1 . 2]" 1
316 1 24 LYS HA 1 92 TYR QD 5.500 . 5.500 3.334 2.017 4.559 . 0 0 "[ . 1 . 2]" 1
317 1 24 LYS HA 1 92 TYR QE 5.500 . 5.500 4.574 3.365 5.610 0.110 5 0 "[ . 1 . 2]" 1
318 1 24 LYS QB 1 25 ASP QB 5.800 . 5.800 3.785 3.125 4.631 . 0 0 "[ . 1 . 2]" 1
319 1 24 LYS QD 1 25 ASP QB 6.500 . 6.500 5.351 3.780 6.456 . 0 0 "[ . 1 . 2]" 1
320 1 24 LYS QD 1 92 TYR QE 5.800 . 5.800 3.337 1.930 4.802 . 0 0 "[ . 1 . 2]" 1
321 1 24 LYS QE 1 92 TYR QD 5.500 . 5.500 3.746 2.512 4.810 . 0 0 "[ . 1 . 2]" 1
322 1 24 LYS QE 1 92 TYR QE 3.800 . 3.800 3.141 1.841 3.950 0.150 16 0 "[ . 1 . 2]" 1
323 1 24 LYS QG 1 92 TYR QD 5.000 . 5.000 2.853 1.948 5.056 0.056 3 0 "[ . 1 . 2]" 1
324 1 24 LYS QG 1 92 TYR QE 4.400 . 4.400 3.277 1.870 4.521 0.121 7 0 "[ . 1 . 2]" 1
325 1 25 ASP H 1 26 VAL H 3.500 . 3.500 2.847 1.592 3.646 0.146 17 0 "[ . 1 . 2]" 1
326 1 25 ASP H 1 26 VAL HA 5.500 . 5.500 4.922 3.999 5.507 0.007 17 0 "[ . 1 . 2]" 1
327 1 25 ASP H 1 26 VAL HB 5.500 . 5.500 4.914 4.366 5.870 0.370 5 0 "[ . 1 . 2]" 1
328 1 25 ASP H 1 26 VAL QG 5.500 . 5.500 3.607 2.630 4.709 . 0 0 "[ . 1 . 2]" 1
329 1 25 ASP HA 1 26 VAL H 5.500 . 5.500 2.976 2.226 3.456 . 0 0 "[ . 1 . 2]" 1
330 1 25 ASP QB 1 26 VAL H 5.500 . 5.500 3.570 1.874 4.049 . 0 0 "[ . 1 . 2]" 1
331 1 25 ASP QB 1 26 VAL HA 5.500 . 5.500 4.457 3.996 4.975 . 0 0 "[ . 1 . 2]" 1
332 1 25 ASP QB 1 26 VAL QG 4.690 . 4.690 3.909 2.595 4.895 0.205 15 0 "[ . 1 . 2]" 1
333 1 26 VAL H 1 26 VAL QG 3.130 . 3.130 2.246 1.925 2.981 . 0 0 "[ . 1 . 2]" 1
334 1 26 VAL H 1 27 GLU H 4.590 . 4.590 3.345 2.109 4.540 . 0 0 "[ . 1 . 2]" 1
335 1 26 VAL HA 1 26 VAL QG 2.750 . 2.750 2.205 2.000 2.418 . 0 0 "[ . 1 . 2]" 1
336 1 26 VAL HA 1 27 GLU H 5.500 . 5.500 2.788 2.155 3.605 . 0 0 "[ . 1 . 2]" 1
337 1 26 VAL HA 1 27 GLU QB 4.830 . 4.830 4.294 3.943 4.579 . 0 0 "[ . 1 . 2]" 1
338 1 26 VAL HB 1 27 GLU H 5.500 . 5.500 3.916 2.553 4.595 . 0 0 "[ . 1 . 2]" 1
339 1 26 VAL QG 1 27 GLU H 4.020 . 4.020 2.756 1.846 3.737 . 0 0 "[ . 1 . 2]" 1
340 1 26 VAL QG 1 28 ASP H 5.500 . 5.500 3.228 1.790 5.295 . 0 0 "[ . 1 . 2]" 1
341 1 26 VAL QG 1 117 GLY QA 5.100 . 5.100 3.356 1.906 4.747 . 0 0 "[ . 1 . 2]" 1
342 1 26 VAL QG 1 119 SER QB 5.000 . 5.000 4.948 4.574 5.272 0.272 4 0 "[ . 1 . 2]" 1
343 1 27 GLU QB 1 28 ASP H 4.350 . 4.350 3.302 1.880 4.007 . 0 0 "[ . 1 . 2]" 1
344 1 27 GLU QB 1 30 SER QB 5.500 . 5.500 2.737 1.776 5.638 0.138 11 0 "[ . 1 . 2]" 1
345 1 27 GLU QB 1 33 ILE MG 4.300 . 4.300 3.113 1.852 4.562 0.262 19 0 "[ . 1 . 2]" 1
346 1 28 ASP HA 1 30 SER H 4.490 . 4.490 4.075 3.301 4.491 0.001 20 0 "[ . 1 . 2]" 1
347 1 28 ASP HA 1 48 VAL QG 4.630 . 4.630 4.078 2.802 4.866 0.236 20 0 "[ . 1 . 2]" 1
348 1 28 ASP HA 1 95 TYR QE 5.500 . 5.500 5.279 3.839 5.697 0.197 15 0 "[ . 1 . 2]" 1
349 1 28 ASP QB 1 29 ASN H 5.500 . 5.500 2.493 1.836 3.797 . 0 0 "[ . 1 . 2]" 1
350 1 28 ASP QB 1 29 ASN QB 4.550 . 4.550 3.565 3.011 4.384 . 0 0 "[ . 1 . 2]" 1
351 1 28 ASP QB 1 48 VAL HB 4.850 . 4.850 3.230 2.013 4.955 0.105 3 0 "[ . 1 . 2]" 1
352 1 28 ASP QB 1 48 VAL QG 5.400 . 5.400 2.996 1.872 4.154 . 0 0 "[ . 1 . 2]" 1
353 1 28 ASP QB 1 63 PHE QD 5.000 . 5.000 4.042 3.212 5.057 0.057 15 0 "[ . 1 . 2]" 1
354 1 28 ASP QB 1 63 PHE QE 5.500 . 5.500 3.028 1.878 4.300 . 0 0 "[ . 1 . 2]" 1
355 1 28 ASP QB 1 95 TYR QE 3.850 . 3.850 3.031 2.425 3.898 0.048 3 0 "[ . 1 . 2]" 1
356 1 29 ASN H 1 29 ASN QB 3.320 . 3.320 2.455 2.075 3.093 . 0 0 "[ . 1 . 2]" 1
357 1 29 ASN H 1 29 ASN QD 4.750 . 4.750 4.258 1.960 4.913 0.163 3 0 "[ . 1 . 2]" 1
358 1 29 ASN H 1 30 SER H 3.440 . 3.440 3.006 1.777 3.676 0.236 12 0 "[ . 1 . 2]" 1
359 1 29 ASN H 1 63 PHE QD 5.500 . 5.500 4.462 3.594 5.592 0.092 3 0 "[ . 1 . 2]" 1
360 1 29 ASN HA 1 29 ASN QD 4.000 . 4.000 3.542 2.294 4.108 0.108 8 0 "[ . 1 . 2]" 1
361 1 29 ASN HA 1 45 TYR QD 4.420 . 4.420 3.609 2.200 4.245 . 0 0 "[ . 1 . 2]" 1
362 1 29 ASN HA 1 45 TYR QE 4.210 . 4.210 3.232 1.967 4.258 0.048 19 0 "[ . 1 . 2]" 1
363 1 29 ASN HA 1 46 HIS HD2 5.500 . 5.500 4.075 1.886 5.695 0.195 19 0 "[ . 1 . 2]" 1
364 1 29 ASN HA 1 63 PHE QE 5.500 . 5.500 5.228 4.543 5.617 0.117 3 0 "[ . 1 . 2]" 1
365 1 29 ASN QB 1 45 TYR QD 5.340 . 5.340 5.215 3.941 5.516 0.176 15 0 "[ . 1 . 2]" 1
366 1 29 ASN QB 1 45 TYR QE 5.500 . 5.500 4.575 3.642 5.376 . 0 0 "[ . 1 . 2]" 1
367 1 29 ASN QB 1 63 PHE QB 6.500 . 6.500 3.189 2.532 4.235 . 0 0 "[ . 1 . 2]" 1
368 1 29 ASN QB 1 63 PHE QD 4.540 . 4.540 2.862 2.333 3.705 . 0 0 "[ . 1 . 2]" 1
369 1 29 ASN QB 1 63 PHE QE 5.600 . 5.600 3.023 2.588 3.564 . 0 0 "[ . 1 . 2]" 1
370 1 29 ASN QB 1 63 PHE HZ 5.900 . 5.900 3.666 2.756 4.360 . 0 0 "[ . 1 . 2]" 1
371 1 29 ASN QB 1 95 TYR QE 5.340 . 5.340 4.068 3.372 5.228 . 0 0 "[ . 1 . 2]" 1
372 1 29 ASN HB2 1 63 PHE QE 5.500 . 5.500 3.753 2.935 4.534 . 0 0 "[ . 1 . 2]" 1
373 1 29 ASN HB2 1 63 PHE HZ 5.500 . 5.500 4.665 2.811 5.586 0.086 17 0 "[ . 1 . 2]" 1
374 1 29 ASN HB3 1 63 PHE QE 5.500 . 5.500 3.297 2.804 4.383 . 0 0 "[ . 1 . 2]" 1
375 1 29 ASN HB3 1 63 PHE HZ 5.500 . 5.500 4.014 3.158 5.322 . 0 0 "[ . 1 . 2]" 1
376 1 29 ASN QD 1 30 SER H 6.000 . 6.000 5.087 3.359 5.866 . 0 0 "[ . 1 . 2]" 1
377 1 30 SER H 1 30 SER QB 3.230 . 3.230 2.614 2.237 3.191 . 0 0 "[ . 1 . 2]" 1
378 1 30 SER H 1 42 ASN QD 5.500 . 5.500 4.235 3.027 5.434 . 0 0 "[ . 1 . 2]" 1
379 1 30 SER H 1 45 TYR QB 6.000 . 6.000 5.083 2.584 6.056 0.056 14 0 "[ . 1 . 2]" 1
380 1 30 SER H 1 45 TYR QE 4.850 . 4.850 3.694 2.020 4.927 0.077 11 0 "[ . 1 . 2]" 1
381 1 30 SER HA 1 45 TYR QD 5.500 . 5.500 4.613 3.021 5.515 0.015 17 0 "[ . 1 . 2]" 1
382 1 30 SER HA 1 45 TYR QE 5.260 . 5.260 3.772 2.663 4.782 . 0 0 "[ . 1 . 2]" 1
383 1 30 SER QB 1 32 THR H 5.500 . 5.500 4.007 2.638 5.605 0.105 5 0 "[ . 1 . 2]" 1
384 1 30 SER QB 1 45 TYR QD . . 5.500 4.744 4.186 5.547 0.047 1 0 "[ . 1 . 2]" 1
385 1 30 SER QB 1 45 TYR QE 5.340 . 5.340 4.921 4.097 5.515 0.175 8 0 "[ . 1 . 2]" 1
386 1 31 GLN H 1 31 GLN QG 4.440 . 4.440 3.148 1.873 4.187 . 0 0 "[ . 1 . 2]" 1
387 1 31 GLN H 1 32 THR H 5.450 . 5.450 3.185 1.698 4.610 . 0 0 "[ . 1 . 2]" 1
388 1 31 GLN HA 1 32 THR H 5.500 . 5.500 2.927 2.150 3.571 . 0 0 "[ . 1 . 2]" 1
389 1 31 GLN HA 1 42 ASN QB 4.700 . 4.700 3.499 2.686 4.602 . 0 0 "[ . 1 . 2]" 1
390 1 31 GLN HA 1 45 TYR HA 5.000 . 5.000 4.555 3.542 5.389 0.389 8 0 "[ . 1 . 2]" 1
391 1 31 GLN HA 1 45 TYR QB 4.500 . 4.500 3.470 2.405 4.702 0.202 19 0 "[ . 1 . 2]" 1
392 1 31 GLN HA 1 45 TYR QD 4.140 . 4.140 2.835 2.039 4.025 . 0 0 "[ . 1 . 2]" 1
393 1 31 GLN HA 1 45 TYR QE 4.870 . 4.870 3.821 3.035 4.947 0.077 11 0 "[ . 1 . 2]" 1
394 1 31 GLN QB 1 32 THR H 5.500 . 5.500 3.161 2.525 3.949 . 0 0 "[ . 1 . 2]" 1
395 1 31 GLN QB 1 45 TYR QB 5.400 . 5.400 4.688 3.098 5.468 0.068 4 0 "[ . 1 . 2]" 1
396 1 31 GLN QB 1 45 TYR QD 5.500 . 5.500 3.733 2.476 4.677 . 0 0 "[ . 1 . 2]" 1
397 1 31 GLN QB 1 45 TYR QE 4.480 . 4.480 3.271 1.920 4.456 . 0 0 "[ . 1 . 2]" 1
398 1 31 GLN QG 1 32 THR MG 5.500 . 5.500 4.045 2.216 5.409 . 0 0 "[ . 1 . 2]" 1
399 1 31 GLN QG 1 45 TYR QD 5.200 . 5.200 3.593 2.050 5.149 . 0 0 "[ . 1 . 2]" 1
400 1 31 GLN QG 1 45 TYR QE 4.000 . 4.000 3.338 2.297 4.152 0.152 15 0 "[ . 1 . 2]" 1
401 1 32 THR H 1 33 ILE H 4.490 . 4.490 4.216 3.743 4.439 . 0 0 "[ . 1 . 2]" 1
402 1 32 THR H 1 42 ASN QB 5.500 . 5.500 3.384 1.889 5.009 . 0 0 "[ . 1 . 2]" 1
403 1 32 THR HA 1 32 THR MG 3.420 . 3.420 2.719 2.101 3.200 . 0 0 "[ . 1 . 2]" 1
404 1 32 THR HA 1 33 ILE H 5.500 . 5.500 2.258 2.141 2.379 . 0 0 "[ . 1 . 2]" 1
405 1 32 THR HA 1 41 THR HA 3.920 . 3.920 2.363 2.092 3.052 . 0 0 "[ . 1 . 2]" 1
406 1 32 THR HA 1 41 THR HB 5.350 . 5.350 4.819 4.140 5.449 0.099 5 0 "[ . 1 . 2]" 1
407 1 32 THR HA 1 42 ASN H 5.500 . 5.500 2.612 1.913 3.921 . 0 0 "[ . 1 . 2]" 1
408 1 32 THR HB 1 41 THR MG 5.500 . 5.500 4.761 3.351 5.745 0.245 17 0 "[ . 1 . 2]" 1
409 1 32 THR HB 1 42 ASN H 5.500 . 5.500 4.645 3.863 5.588 0.088 1 0 "[ . 1 . 2]" 1
410 1 33 ILE H 1 33 ILE HA 3.000 . 3.000 2.948 2.940 2.956 . 0 0 "[ . 1 . 2]" 1
411 1 33 ILE H 1 33 ILE QG 3.210 . 3.210 2.285 1.974 2.876 . 0 0 "[ . 1 . 2]" 1
412 1 33 ILE H 1 34 GLU H 4.300 . 4.300 4.407 4.367 4.448 0.148 1 0 "[ . 1 . 2]" 1
413 1 33 ILE H 1 40 VAL H 3.200 . 3.200 2.962 2.485 3.278 0.078 11 0 "[ . 1 . 2]" 1
414 1 33 ILE H 1 41 THR HA 3.740 . 3.740 3.766 3.054 4.010 0.270 1 0 "[ . 1 . 2]" 1
415 1 33 ILE H 1 42 ASN H 4.280 . 4.280 4.135 3.672 4.545 0.265 8 0 "[ . 1 . 2]" 1
416 1 33 ILE H 1 42 ASN QB 4.970 . 4.970 3.847 3.123 5.032 0.062 11 0 "[ . 1 . 2]" 1
417 1 33 ILE HA 1 33 ILE MG 3.220 . 3.220 2.305 2.200 2.364 . 0 0 "[ . 1 . 2]" 1
418 1 33 ILE HA 1 34 GLU H 2.200 . 2.200 2.227 2.162 2.303 0.103 7 0 "[ . 1 . 2]" 1
419 1 33 ILE QG 1 34 GLU H 5.500 . 5.500 4.004 3.688 4.715 . 0 0 "[ . 1 . 2]" 1
420 1 33 ILE QG 1 42 ASN QB 3.530 . 3.530 2.864 2.002 3.801 0.271 14 0 "[ . 1 . 2]" 1
421 1 33 ILE MG 1 34 GLU H 5.500 . 5.500 3.261 2.318 3.796 . 0 0 "[ . 1 . 2]" 1
422 1 33 ILE MG 1 42 ASN QB 4.500 . 4.500 3.254 1.970 4.558 0.058 2 0 "[ . 1 . 2]" 1
423 1 34 GLU H 1 34 GLU HA 3.000 . 3.000 2.922 2.896 2.950 . 0 0 "[ . 1 . 2]" 1
424 1 34 GLU H 1 34 GLU QB 2.700 . 2.700 2.375 2.259 2.668 . 0 0 "[ . 1 . 2]" 1
425 1 34 GLU H 1 35 LYS H 4.300 . 4.300 4.358 4.199 4.448 0.148 13 0 "[ . 1 . 2]" 1
426 1 34 GLU HA 1 35 LYS H 2.200 . 2.200 2.118 2.077 2.168 . 0 0 "[ . 1 . 2]" 1
427 1 34 GLU HA 1 39 THR HA 2.400 . 2.400 2.396 2.071 2.505 0.105 16 0 "[ . 1 . 2]" 1
428 1 34 GLU HA 1 39 THR HB 5.500 . 5.500 4.642 3.595 5.309 . 0 0 "[ . 1 . 2]" 1
429 1 34 GLU HA 1 39 THR MG 4.100 . 4.100 3.193 2.382 3.893 . 0 0 "[ . 1 . 2]" 1
430 1 34 GLU HA 1 40 VAL H 3.800 . 3.800 3.569 3.318 3.807 0.007 16 0 "[ . 1 . 2]" 1
431 1 34 GLU HA 1 40 VAL QG 5.250 . 5.250 4.000 3.669 4.364 . 0 0 "[ . 1 . 2]" 1
432 1 34 GLU QG 1 39 THR MG 5.500 . 5.500 3.088 1.896 4.744 . 0 0 "[ . 1 . 2]" 1
433 1 34 GLU QG 1 40 VAL QG 5.000 . 5.000 5.093 4.750 5.289 0.289 2 0 "[ . 1 . 2]" 1
434 1 35 LYS H 1 35 LYS HA 3.000 . 3.000 2.934 2.882 2.961 . 0 0 "[ . 1 . 2]" 1
435 1 35 LYS H 1 38 GLN H 4.200 . 4.200 3.500 2.420 4.336 0.136 1 0 "[ . 1 . 2]" 1
436 1 35 LYS H 1 39 THR HA 3.800 . 3.800 3.285 2.613 3.674 . 0 0 "[ . 1 . 2]" 1
437 1 35 LYS H 1 40 VAL QG 5.000 . 5.000 3.430 2.772 4.751 . 0 0 "[ . 1 . 2]" 1
438 1 35 LYS HA 1 36 GLU H 5.500 . 5.500 2.190 2.150 2.282 . 0 0 "[ . 1 . 2]" 1
439 1 35 LYS HA 1 37 GLY H 5.500 . 5.500 4.468 3.436 5.543 0.043 12 0 "[ . 1 . 2]" 1
440 1 36 GLU H 1 37 GLY H 4.850 . 4.850 3.524 2.556 4.358 . 0 0 "[ . 1 . 2]" 1
441 1 36 GLU HA 1 36 GLU QB 2.570 . 2.570 2.418 2.191 2.545 . 0 0 "[ . 1 . 2]" 1
442 1 36 GLU HA 1 36 GLU QG 3.180 . 3.180 2.500 2.090 3.291 0.111 19 0 "[ . 1 . 2]" 1
443 1 36 GLU HA 1 37 GLY H 5.500 . 5.500 2.879 2.104 3.568 . 0 0 "[ . 1 . 2]" 1
444 1 36 GLU QB 1 36 GLU QG 2.360 . 2.360 2.061 2.022 2.109 . 0 0 "[ . 1 . 2]" 1
445 1 36 GLU QB 1 37 GLY H 5.500 . 5.500 3.305 1.841 3.922 . 0 0 "[ . 1 . 2]" 1
446 1 37 GLY H 1 38 GLN H 3.680 . 3.680 2.629 1.781 3.625 . 0 0 "[ . 1 . 2]" 1
447 1 37 GLY QA 1 38 GLN H 5.500 . 5.500 2.734 2.258 2.923 . 0 0 "[ . 1 . 2]" 1
448 1 37 GLY QA 1 38 GLN QB 4.280 . 4.280 3.884 3.482 4.381 0.101 7 0 "[ . 1 . 2]" 1
449 1 37 GLY QA 1 38 GLN QG 6.000 . 6.000 5.051 3.523 5.692 . 0 0 "[ . 1 . 2]" 1
450 1 38 GLN H 1 38 GLN QB 3.030 . 3.030 2.795 2.240 3.224 0.194 12 0 "[ . 1 . 2]" 1
451 1 38 GLN H 1 39 THR H 4.510 . 4.510 4.413 3.583 4.648 0.138 1 0 "[ . 1 . 2]" 1
452 1 38 GLN H 1 40 VAL QG 5.500 . 5.500 4.800 4.158 5.739 0.239 13 0 "[ . 1 . 2]" 1
453 1 38 GLN HA 1 38 GLN QG 3.500 . 3.500 2.439 2.040 3.308 . 0 0 "[ . 1 . 2]" 1
454 1 38 GLN QB 1 39 THR H 5.500 . 5.500 2.833 1.921 3.890 . 0 0 "[ . 1 . 2]" 1
455 1 38 GLN QG 1 39 THR H 5.500 . 5.500 2.426 1.939 3.312 . 0 0 "[ . 1 . 2]" 1
456 1 38 GLN QG 1 39 THR HA 5.500 . 5.500 4.202 3.429 5.613 0.113 7 0 "[ . 1 . 2]" 1
457 1 38 GLN QG 1 39 THR HB 5.500 . 5.500 4.849 3.702 5.655 0.155 13 0 "[ . 1 . 2]" 1
458 1 39 THR H 1 39 THR HA 3.000 . 3.000 2.912 2.841 2.962 . 0 0 "[ . 1 . 2]" 1
459 1 39 THR H 1 40 VAL H . . 4.300 4.420 4.374 4.498 0.198 19 0 "[ . 1 . 2]" 1
460 1 39 THR H 1 40 VAL QG 5.500 . 5.500 4.179 3.709 5.065 . 0 0 "[ . 1 . 2]" 1
461 1 39 THR HA 1 39 THR MG 3.520 . 3.520 2.346 2.109 2.749 . 0 0 "[ . 1 . 2]" 1
462 1 39 THR HA 1 40 VAL H 2.200 . 2.200 2.150 2.117 2.187 . 0 0 "[ . 1 . 2]" 1
463 1 39 THR HB 1 40 VAL H 4.550 . 4.550 3.678 3.197 4.285 . 0 0 "[ . 1 . 2]" 1
464 1 40 VAL H 1 40 VAL HA 3.000 . 3.000 2.945 2.930 2.957 . 0 0 "[ . 1 . 2]" 1
465 1 40 VAL H 1 40 VAL QG 3.300 . 3.300 2.140 1.901 2.661 . 0 0 "[ . 1 . 2]" 1
466 1 40 VAL H 1 41 THR H 4.300 . 4.300 4.385 4.349 4.416 0.116 5 0 "[ . 1 . 2]" 1
467 1 40 VAL HA 1 41 THR H 2.200 . 2.200 2.220 2.147 2.368 0.168 16 0 "[ . 1 . 2]" 1
468 1 40 VAL HB 1 41 THR H 5.500 . 5.500 3.332 2.320 4.138 . 0 0 "[ . 1 . 2]" 1
469 1 40 VAL QG 1 41 THR H 5.500 . 5.500 2.828 2.121 3.442 . 0 0 "[ . 1 . 2]" 1
470 1 41 THR H 1 41 THR HA 3.000 . 3.000 2.812 2.703 2.883 . 0 0 "[ . 1 . 2]" 1
471 1 41 THR H 1 41 THR HB 3.500 . 3.500 3.037 2.096 3.607 0.107 15 0 "[ . 1 . 2]" 1
472 1 41 THR HA 1 41 THR MG 3.280 . 3.280 2.535 2.202 3.202 . 0 0 "[ . 1 . 2]" 1
473 1 41 THR HA 1 42 ASN HA 5.500 . 5.500 4.371 4.325 4.429 . 0 0 "[ . 1 . 2]" 1
474 1 41 THR HA 1 42 ASN QB 4.570 . 4.570 4.140 3.952 4.490 . 0 0 "[ . 1 . 2]" 1
475 1 42 ASN QB 1 44 ASP H 5.500 . 5.500 4.261 2.322 5.846 0.346 4 0 "[ . 1 . 2]" 1
476 1 42 ASN QB 1 45 TYR QD 4.340 . 4.340 4.184 3.463 4.720 0.380 15 0 "[ . 1 . 2]" 1
477 1 43 ASN HA 1 44 ASP H 5.500 . 5.500 2.956 2.144 3.517 . 0 0 "[ . 1 . 2]" 1
478 1 43 ASN HA 1 45 TYR H 4.430 . 4.430 3.859 3.117 4.769 0.339 14 0 "[ . 1 . 2]" 1
479 1 44 ASP H 1 44 ASP QB 3.480 . 3.480 2.813 2.290 3.319 . 0 0 "[ . 1 . 2]" 1
480 1 44 ASP H 1 45 TYR H 3.600 . 3.600 2.931 2.424 3.599 . 0 0 "[ . 1 . 2]" 1
481 1 44 ASP HA 1 45 TYR H 5.500 . 5.500 2.789 2.401 3.389 . 0 0 "[ . 1 . 2]" 1
482 1 44 ASP QB 1 47 LYS H 5.700 . 5.700 3.971 3.125 5.766 0.066 3 0 "[ . 1 . 2]" 1
483 1 44 ASP QB 1 47 LYS QB 4.000 . 4.000 2.598 1.927 4.161 0.161 8 0 "[ . 1 . 2]" 1
484 1 44 ASP QB 1 47 LYS QG 5.800 . 5.800 3.224 1.981 5.559 . 0 0 "[ . 1 . 2]" 1
485 1 45 TYR H 1 46 HIS H 4.660 . 4.660 3.753 2.542 4.659 . 0 0 "[ . 1 . 2]" 1
486 1 45 TYR HA 1 45 TYR QD 3.570 . 3.570 2.511 1.889 3.700 0.130 8 0 "[ . 1 . 2]" 1
487 1 45 TYR HA 1 45 TYR QE 5.500 . 5.500 4.550 4.127 5.595 0.095 8 0 "[ . 1 . 2]" 1
488 1 45 TYR HA 1 46 HIS H 5.500 . 5.500 2.764 2.119 3.577 . 0 0 "[ . 1 . 2]" 1
489 1 45 TYR QB 1 46 HIS H 4.800 . 4.800 3.278 1.970 4.082 . 0 0 "[ . 1 . 2]" 1
490 1 45 TYR QB 1 46 HIS QB 6.500 . 6.500 3.840 3.255 4.874 . 0 0 "[ . 1 . 2]" 1
491 1 45 TYR QD 1 46 HIS HA 5.500 . 5.500 4.303 3.460 4.797 . 0 0 "[ . 1 . 2]" 1
492 1 45 TYR QD 1 46 HIS QB . . 5.500 3.105 2.460 4.201 . 0 0 "[ . 1 . 2]" 1
493 1 45 TYR QD 1 46 HIS HD2 5.500 . 5.500 3.729 1.796 5.417 . 0 0 "[ . 1 . 2]" 1
494 1 45 TYR QD 1 46 HIS HE1 5.500 . 5.500 5.257 4.531 5.594 0.094 12 0 "[ . 1 . 2]" 1
495 1 45 TYR QE 1 46 HIS HA 5.390 . 5.390 4.992 4.273 5.420 0.030 15 0 "[ . 1 . 2]" 1
496 1 45 TYR QE 1 46 HIS QB . . 5.500 3.854 2.774 4.696 . 0 0 "[ . 1 . 2]" 1
497 1 45 TYR QE 1 46 HIS HD2 5.500 . 5.500 3.571 1.942 4.969 . 0 0 "[ . 1 . 2]" 1
498 1 45 TYR QE 1 46 HIS HE1 4.960 . 4.960 4.014 2.937 5.250 0.290 15 0 "[ . 1 . 2]" 1
499 1 46 HIS H 1 47 LYS H 4.020 . 4.020 2.882 2.231 3.953 . 0 0 "[ . 1 . 2]" 1
500 1 46 HIS HA 1 46 HIS HD2 4.500 . 4.500 3.228 1.988 4.652 0.152 12 0 "[ . 1 . 2]" 1
501 1 46 HIS HA 1 49 TYR H 5.500 . 5.500 3.301 3.027 3.810 . 0 0 "[ . 1 . 2]" 1
502 1 46 HIS HA 1 49 TYR HA 5.500 . 5.500 5.401 5.034 5.828 0.328 17 0 "[ . 1 . 2]" 1
503 1 46 HIS HA 1 49 TYR QB 3.500 . 3.500 2.809 2.472 3.384 . 0 0 "[ . 1 . 2]" 1
504 1 46 HIS HA 1 49 TYR QD 5.000 . 5.000 4.443 3.988 5.230 0.230 7 0 "[ . 1 . 2]" 1
505 1 46 HIS QB 1 49 TYR QB 6.300 . 6.300 3.209 1.961 4.123 . 0 0 "[ . 1 . 2]" 1
506 1 46 HIS QB 1 49 TYR QD 5.700 . 5.700 3.701 2.471 4.999 . 0 0 "[ . 1 . 2]" 1
507 1 46 HIS QB 1 50 ASP HA 6.000 . 6.000 5.145 4.584 5.968 . 0 0 "[ . 1 . 2]" 1
508 1 46 HIS HD2 1 49 TYR QB 5.300 . 5.300 4.150 1.776 5.496 0.196 1 0 "[ . 1 . 2]" 1
509 1 46 HIS HD2 1 49 TYR QD 5.500 . 5.500 4.750 2.380 5.597 0.097 8 0 "[ . 1 . 2]" 1
510 1 46 HIS HE1 1 49 TYR QB 5.500 . 5.500 4.640 3.095 5.513 0.013 6 0 "[ . 1 . 2]" 1
511 1 46 HIS HE1 1 49 TYR QD 5.500 . 5.500 4.146 2.053 5.169 . 0 0 "[ . 1 . 2]" 1
512 1 46 HIS HE1 1 49 TYR QE 5.500 . 5.500 4.784 2.752 5.562 0.062 2 0 "[ . 1 . 2]" 1
513 1 47 LYS H 1 47 LYS QB 2.950 . 2.950 2.352 2.065 3.110 0.160 20 0 "[ . 1 . 2]" 1
514 1 47 LYS H 1 48 VAL H . . 2.500 2.450 2.048 2.586 0.086 18 0 "[ . 1 . 2]" 1
515 1 47 LYS H 1 48 VAL HA 5.500 . 5.500 5.069 4.690 5.227 . 0 0 "[ . 1 . 2]" 1
516 1 47 LYS H 1 48 VAL QG 5.440 . 5.440 3.972 3.133 4.145 . 0 0 "[ . 1 . 2]" 1
517 1 47 LYS H 1 49 TYR H 4.000 . 4.000 3.597 2.621 4.127 0.127 11 0 "[ . 1 . 2]" 1
518 1 47 LYS H 1 49 TYR QB 5.340 . 5.340 4.408 3.352 5.065 . 0 0 "[ . 1 . 2]" 1
519 1 47 LYS H 1 50 ASP H 4.900 . 4.900 4.374 3.461 4.859 . 0 0 "[ . 1 . 2]" 1
520 1 47 LYS HA 1 47 LYS QE 4.280 . 4.280 3.880 2.281 4.485 0.205 14 0 "[ . 1 . 2]" 1
521 1 47 LYS HA 1 48 VAL H 3.500 . 3.500 3.524 3.493 3.547 0.047 19 0 "[ . 1 . 2]" 1
522 1 47 LYS HA 1 48 VAL HA 5.060 . 5.060 4.735 4.687 4.790 . 0 0 "[ . 1 . 2]" 1
523 1 47 LYS HA 1 49 TYR H 4.400 . 4.400 4.417 4.310 4.479 0.079 13 0 "[ . 1 . 2]" 1
524 1 47 LYS HA 1 50 ASP H 3.500 . 3.500 3.593 3.469 3.668 0.168 16 0 "[ . 1 . 2]" 1
525 1 47 LYS HA 1 50 ASP QB . . 4.500 2.921 2.529 3.093 . 0 0 "[ . 1 . 2]" 1
526 1 47 LYS HA 1 51 SER H 4.400 . 4.400 4.208 3.809 4.352 . 0 0 "[ . 1 . 2]" 1
527 1 47 LYS QB 1 47 LYS QD 2.840 . 2.840 2.202 2.079 2.317 . 0 0 "[ . 1 . 2]" 1
528 1 47 LYS QB 1 47 LYS QE 3.900 . 3.900 3.319 2.008 3.817 . 0 0 "[ . 1 . 2]" 1
529 1 47 LYS QB 1 48 VAL H 3.790 . 3.790 2.474 2.058 3.099 . 0 0 "[ . 1 . 2]" 1
530 1 47 LYS QB 1 48 VAL HA 5.170 . 5.170 3.937 3.694 4.162 . 0 0 "[ . 1 . 2]" 1
531 1 47 LYS QG 1 48 VAL HA 6.000 . 6.000 4.592 3.504 5.824 . 0 0 "[ . 1 . 2]" 1
532 1 47 LYS QG 1 48 VAL QG 5.800 . 5.800 4.088 2.168 4.782 . 0 0 "[ . 1 . 2]" 1
533 1 47 LYS QG 1 50 ASP H 6.000 . 6.000 5.204 4.696 5.646 . 0 0 "[ . 1 . 2]" 1
534 1 47 LYS QG 1 50 ASP QB 5.800 . 5.800 4.365 3.572 5.241 . 0 0 "[ . 1 . 2]" 1
535 1 48 VAL H 1 48 VAL QG 3.960 . 3.960 2.197 1.868 2.298 . 0 0 "[ . 1 . 2]" 1
536 1 48 VAL H 1 49 TYR H . . 2.500 2.519 2.451 2.602 0.102 11 0 "[ . 1 . 2]" 1
537 1 48 VAL H 1 49 TYR HA 5.500 . 5.500 5.157 5.077 5.238 . 0 0 "[ . 1 . 2]" 1
538 1 48 VAL H 1 50 ASP H 4.000 . 4.000 4.070 3.999 4.120 0.120 7 0 "[ . 1 . 2]" 1
539 1 48 VAL H 1 51 SER H 4.900 . 4.900 4.711 4.559 4.820 . 0 0 "[ . 1 . 2]" 1
540 1 48 VAL H 1 95 TYR QE 4.780 . 4.780 4.495 4.055 4.832 0.052 11 0 "[ . 1 . 2]" 1
541 1 48 VAL HA 1 49 TYR H 3.500 . 3.500 3.506 3.495 3.517 0.017 4 0 "[ . 1 . 2]" 1
542 1 48 VAL HA 1 49 TYR HA 4.930 . 4.930 4.786 4.726 4.821 . 0 0 "[ . 1 . 2]" 1
543 1 48 VAL HA 1 50 ASP H 4.400 . 4.400 4.386 4.278 4.489 0.089 11 0 "[ . 1 . 2]" 1
544 1 48 VAL HA 1 51 SER H 3.500 . 3.500 3.425 3.324 3.535 0.035 11 0 "[ . 1 . 2]" 1
545 1 48 VAL HA 1 51 SER QB . . 4.500 2.818 2.376 3.552 . 0 0 "[ . 1 . 2]" 1
546 1 48 VAL HA 1 52 LEU H 4.400 . 4.400 3.996 3.818 4.289 . 0 0 "[ . 1 . 2]" 1
547 1 48 VAL HA 1 52 LEU QD 4.810 . 4.810 4.031 3.803 4.131 . 0 0 "[ . 1 . 2]" 1
548 1 48 VAL HA 1 52 LEU HG 4.740 . 4.740 3.965 3.722 4.267 . 0 0 "[ . 1 . 2]" 1
549 1 48 VAL HA 1 95 TYR QE 4.880 . 4.880 4.814 4.664 5.144 0.264 5 0 "[ . 1 . 2]" 1
550 1 48 VAL HA 1 115 ILE HB 5.500 . 5.500 5.237 4.695 5.621 0.121 4 0 "[ . 1 . 2]" 1
551 1 48 VAL HA 1 115 ILE MD 4.500 . 4.500 3.855 3.140 4.454 . 0 0 "[ . 1 . 2]" 1
552 1 48 VAL HA 1 115 ILE QG 5.340 . 5.340 4.928 3.873 5.429 0.089 6 0 "[ . 1 . 2]" 1
553 1 48 VAL HA 1 115 ILE MG 3.550 . 3.550 2.592 2.141 2.829 . 0 0 "[ . 1 . 2]" 1
554 1 48 VAL HB 1 49 TYR HA 5.500 . 5.500 4.397 4.226 5.626 0.126 5 0 "[ . 1 . 2]" 1
555 1 48 VAL HB 1 52 LEU HG 5.490 . 5.490 5.238 5.006 5.548 0.058 13 0 "[ . 1 . 2]" 1
556 1 48 VAL HB 1 95 TYR QD 5.500 . 5.500 4.107 3.411 5.004 . 0 0 "[ . 1 . 2]" 1
557 1 48 VAL HB 1 95 TYR QE 4.170 . 4.170 2.288 1.950 3.982 . 0 0 "[ . 1 . 2]" 1
558 1 48 VAL QG 1 49 TYR HA 5.700 . 5.700 3.369 2.993 3.544 . 0 0 "[ . 1 . 2]" 1
559 1 48 VAL QG 1 50 ASP H 5.900 . 5.900 4.572 4.001 4.648 . 0 0 "[ . 1 . 2]" 1
560 1 48 VAL QG 1 51 SER H 4.880 . 4.880 4.287 4.201 4.397 . 0 0 "[ . 1 . 2]" 1
561 1 48 VAL QG 1 51 SER QB 5.800 . 5.800 3.520 3.241 4.103 . 0 0 "[ . 1 . 2]" 1
562 1 48 VAL QG 1 52 LEU H 4.130 . 4.130 3.796 3.639 4.009 . 0 0 "[ . 1 . 2]" 1
563 1 48 VAL QG 1 52 LEU QD 3.020 . 3.020 1.908 1.804 2.047 . 0 0 "[ . 1 . 2]" 1
564 1 48 VAL QG 1 52 LEU HG 3.060 . 3.060 2.712 2.501 2.997 . 0 0 "[ . 1 . 2]" 1
565 1 48 VAL QG 1 95 TYR QB 5.400 . 5.400 3.610 3.282 3.996 . 0 0 "[ . 1 . 2]" 1
566 1 48 VAL QG 1 95 TYR QD 3.510 . 3.510 2.339 2.030 2.661 . 0 0 "[ . 1 . 2]" 1
567 1 48 VAL QG 1 95 TYR QE 4.200 . 4.200 2.160 1.702 2.509 . 0 0 "[ . 1 . 2]" 1
568 1 48 VAL QG 1 115 ILE HB 3.680 . 3.680 3.589 3.268 3.998 0.318 20 0 "[ . 1 . 2]" 1
569 1 48 VAL QG 1 115 ILE MG 2.430 . 2.430 2.017 1.806 2.243 . 0 0 "[ . 1 . 2]" 1
570 1 49 TYR H 1 50 ASP H . . 2.500 2.609 2.548 2.654 0.154 12 0 "[ . 1 . 2]" 1
571 1 49 TYR H 1 51 SER H 4.000 . 4.000 4.043 3.950 4.091 0.091 19 0 "[ . 1 . 2]" 1
572 1 49 TYR H 1 52 LEU H 4.900 . 4.900 4.653 4.598 4.727 . 0 0 "[ . 1 . 2]" 1
573 1 49 TYR H 1 52 LEU HG 5.500 . 5.500 5.399 5.220 5.599 0.099 13 0 "[ . 1 . 2]" 1
574 1 49 TYR H 1 61 VAL QG 5.440 . 5.440 5.203 4.809 5.504 0.064 11 0 "[ . 1 . 2]" 1
575 1 49 TYR HA 1 49 TYR QD 3.780 . 3.780 2.422 1.905 2.971 . 0 0 "[ . 1 . 2]" 1
576 1 49 TYR HA 1 49 TYR QE 4.900 . 4.900 4.443 4.212 4.608 . 0 0 "[ . 1 . 2]" 1
577 1 49 TYR HA 1 50 ASP H 3.500 . 3.500 3.521 3.503 3.533 0.033 6 0 "[ . 1 . 2]" 1
578 1 49 TYR HA 1 50 ASP HA 5.470 . 5.470 4.749 4.707 4.784 . 0 0 "[ . 1 . 2]" 1
579 1 49 TYR HA 1 51 SER H . . 4.400 4.404 4.372 4.438 0.038 3 0 "[ . 1 . 2]" 1
580 1 49 TYR HA 1 51 SER QB 6.000 . 6.000 5.316 5.065 6.035 0.035 3 0 "[ . 1 . 2]" 1
581 1 49 TYR HA 1 52 LEU H . . 3.500 3.501 3.413 3.585 0.085 14 0 "[ . 1 . 2]" 1
582 1 49 TYR HA 1 52 LEU QB 4.500 . 4.500 2.716 2.566 2.872 . 0 0 "[ . 1 . 2]" 1
583 1 49 TYR HA 1 52 LEU QD 4.170 . 4.170 2.955 2.398 3.175 . 0 0 "[ . 1 . 2]" 1
584 1 49 TYR HA 1 52 LEU HG 4.740 . 4.740 4.224 3.944 4.437 . 0 0 "[ . 1 . 2]" 1
585 1 49 TYR HA 1 61 VAL QG 5.100 . 5.100 3.003 2.564 3.248 . 0 0 "[ . 1 . 2]" 1
586 1 49 TYR HA 1 95 TYR QD 5.500 . 5.500 4.367 3.927 4.732 . 0 0 "[ . 1 . 2]" 1
587 1 49 TYR HA 1 95 TYR QE 4.350 . 4.350 3.448 2.982 3.863 . 0 0 "[ . 1 . 2]" 1
588 1 49 TYR QB 1 50 ASP H 5.500 . 5.500 2.534 2.401 2.609 . 0 0 "[ . 1 . 2]" 1
589 1 49 TYR QB 1 61 VAL QG 4.470 . 4.470 3.984 3.562 4.270 . 0 0 "[ . 1 . 2]" 1
590 1 49 TYR QB 1 95 TYR QE 5.400 . 5.400 2.979 2.157 3.491 . 0 0 "[ . 1 . 2]" 1
591 1 49 TYR QD 1 50 ASP H 4.130 . 4.130 3.706 3.288 4.188 0.058 14 0 "[ . 1 . 2]" 1
592 1 49 TYR QD 1 50 ASP HA 4.630 . 4.630 3.713 2.918 4.365 . 0 0 "[ . 1 . 2]" 1
593 1 49 TYR QD 1 50 ASP QB . . 5.500 4.342 3.687 5.488 . 0 0 "[ . 1 . 2]" 1
594 1 49 TYR QD 1 52 LEU QB 6.000 . 6.000 3.849 2.987 4.584 . 0 0 "[ . 1 . 2]" 1
595 1 49 TYR QD 1 52 LEU QD 5.440 . 5.440 4.002 3.610 4.606 . 0 0 "[ . 1 . 2]" 1
596 1 49 TYR QD 1 53 LYS H 5.500 . 5.500 4.724 3.576 5.156 . 0 0 "[ . 1 . 2]" 1
597 1 49 TYR QD 1 53 LYS HA 5.500 . 5.500 5.557 4.951 5.679 0.179 5 0 "[ . 1 . 2]" 1
598 1 49 TYR QD 1 53 LYS QB 5.300 . 5.300 3.808 3.055 4.316 . 0 0 "[ . 1 . 2]" 1
599 1 49 TYR QD 1 53 LYS QD 5.500 . 5.500 4.573 3.856 5.362 . 0 0 "[ . 1 . 2]" 1
600 1 49 TYR QD 1 53 LYS QE 5.500 . 5.500 5.095 4.202 5.660 0.160 6 0 "[ . 1 . 2]" 1
601 1 49 TYR QD 1 53 LYS QG 5.020 . 5.020 3.919 2.739 5.030 0.010 3 0 "[ . 1 . 2]" 1
602 1 49 TYR QD 1 61 VAL HB 4.370 . 4.370 3.437 2.868 4.436 0.066 10 0 "[ . 1 . 2]" 1
603 1 49 TYR QD 1 61 VAL QG 4.700 . 4.700 2.192 1.868 2.826 . 0 0 "[ . 1 . 2]" 1
604 1 49 TYR QD 1 62 THR H 5.500 . 5.500 5.377 4.943 5.622 0.122 20 0 "[ . 1 . 2]" 1
605 1 49 TYR QD 1 63 PHE QB 6.000 . 6.000 3.865 3.086 4.501 . 0 0 "[ . 1 . 2]" 1
606 1 49 TYR QD 1 95 TYR QB 6.000 . 6.000 5.179 4.437 5.698 . 0 0 "[ . 1 . 2]" 1
607 1 49 TYR QD 1 95 TYR QD 4.170 . 4.170 3.559 3.049 4.068 . 0 0 "[ . 1 . 2]" 1
608 1 49 TYR QD 1 95 TYR QE 3.500 . 3.500 2.260 1.724 3.176 . 0 0 "[ . 1 . 2]" 1
609 1 49 TYR QD 1 97 VAL QG 5.440 . 5.440 5.032 4.863 5.505 0.065 8 0 "[ . 1 . 2]" 1
610 1 49 TYR QE 1 50 ASP HA 5.500 . 5.500 4.865 4.256 5.599 0.099 14 0 "[ . 1 . 2]" 1
611 1 49 TYR QE 1 53 LYS HA 5.500 . 5.500 5.136 4.748 5.367 . 0 0 "[ . 1 . 2]" 1
612 1 49 TYR QE 1 53 LYS QB 6.000 . 6.000 3.797 2.993 4.273 . 0 0 "[ . 1 . 2]" 1
613 1 49 TYR QE 1 53 LYS QD 4.800 . 4.800 3.319 2.471 4.111 . 0 0 "[ . 1 . 2]" 1
614 1 49 TYR QE 1 53 LYS QE 4.070 . 4.070 3.556 2.347 4.074 0.004 10 0 "[ . 1 . 2]" 1
615 1 49 TYR QE 1 53 LYS QG 4.320 . 4.320 3.087 2.157 4.320 0.000 3 0 "[ . 1 . 2]" 1
616 1 49 TYR QE 1 61 VAL H 5.500 . 5.500 3.746 3.389 4.102 . 0 0 "[ . 1 . 2]" 1
617 1 49 TYR QE 1 61 VAL HA 5.170 . 5.170 4.276 4.044 4.706 . 0 0 "[ . 1 . 2]" 1
618 1 49 TYR QE 1 61 VAL HB 4.340 . 4.340 2.232 1.809 4.217 . 0 0 "[ . 1 . 2]" 1
619 1 49 TYR QE 1 61 VAL QG 5.300 . 5.300 2.280 1.743 2.801 . 0 0 "[ . 1 . 2]" 1
620 1 49 TYR QE 1 62 THR H 5.500 . 5.500 4.455 4.175 5.027 . 0 0 "[ . 1 . 2]" 1
621 1 49 TYR QE 1 62 THR HA 4.990 . 4.990 3.735 2.970 4.126 . 0 0 "[ . 1 . 2]" 1
622 1 49 TYR QE 1 62 THR MG 5.500 . 5.500 5.407 4.727 5.745 0.245 7 0 "[ . 1 . 2]" 1
623 1 49 TYR QE 1 63 PHE QB 6.000 . 6.000 4.595 3.916 5.185 . 0 0 "[ . 1 . 2]" 1
624 1 49 TYR QE 1 95 TYR QE 4.480 . 4.480 3.805 2.923 4.504 0.024 6 0 "[ . 1 . 2]" 1
625 1 50 ASP H 1 51 SER H . . 2.500 2.592 2.521 2.631 0.131 6 0 "[ . 1 . 2]" 1
626 1 50 ASP H 1 52 LEU H 4.000 . 4.000 4.061 3.999 4.107 0.107 12 0 "[ . 1 . 2]" 1
627 1 50 ASP HA 1 51 SER H 3.500 . 3.500 3.518 3.506 3.528 0.028 6 0 "[ . 1 . 2]" 1
628 1 50 ASP HA 1 52 LEU H 4.400 . 4.400 4.406 4.282 4.475 0.075 11 0 "[ . 1 . 2]" 1
629 1 50 ASP HA 1 53 LYS H 3.510 . 3.510 3.395 3.273 3.522 0.012 3 0 "[ . 1 . 2]" 1
630 1 50 ASP HA 1 53 LYS HA 5.300 . 5.300 5.290 5.085 5.391 0.091 11 0 "[ . 1 . 2]" 1
631 1 50 ASP HA 1 53 LYS QB 4.000 . 4.000 2.459 2.193 2.693 . 0 0 "[ . 1 . 2]" 1
632 1 50 ASP HA 1 53 LYS QG 3.990 . 3.990 3.954 3.508 4.311 0.321 7 0 "[ . 1 . 2]" 1
633 1 50 ASP HA 1 54 ASN H 4.200 . 4.200 3.951 3.651 4.236 0.036 16 0 "[ . 1 . 2]" 1
634 1 50 ASP HA 1 61 VAL QG 5.360 . 5.360 5.311 4.981 5.487 0.127 13 0 "[ . 1 . 2]" 1
635 1 50 ASP QB 1 51 SER H 5.500 . 5.500 2.619 2.539 3.208 . 0 0 "[ . 1 . 2]" 1
636 1 50 ASP QB 1 52 LEU H 5.340 . 5.340 4.715 4.630 5.080 . 0 0 "[ . 1 . 2]" 1
637 1 50 ASP QB 1 53 LYS QB 6.500 . 6.500 4.311 4.114 4.457 . 0 0 "[ . 1 . 2]" 1
638 1 51 SER H 1 52 LEU H . . 2.500 2.569 2.530 2.596 0.096 12 0 "[ . 1 . 2]" 1
639 1 51 SER H 1 52 LEU QB 5.500 . 5.500 4.559 4.491 4.651 . 0 0 "[ . 1 . 2]" 1
640 1 51 SER H 1 52 LEU HG 4.580 . 4.580 4.517 4.402 4.643 0.063 17 0 "[ . 1 . 2]" 1
641 1 51 SER H 1 53 LYS H 4.590 . 4.590 3.877 3.747 4.034 . 0 0 "[ . 1 . 2]" 1
642 1 51 SER H 1 115 ILE MD 5.300 . 5.300 4.420 4.148 4.675 . 0 0 "[ . 1 . 2]" 1
643 1 51 SER HA 1 52 LEU H 3.500 . 3.500 3.519 3.507 3.529 0.029 3 0 "[ . 1 . 2]" 1
644 1 51 SER HA 1 52 LEU HG 5.500 . 5.500 5.297 5.171 5.384 . 0 0 "[ . 1 . 2]" 1
645 1 51 SER HA 1 54 ASN QB 5.500 . 5.500 3.385 2.728 4.372 . 0 0 "[ . 1 . 2]" 1
646 1 51 SER HA 1 55 MET QG 5.600 . 5.600 4.950 3.752 5.839 0.239 4 0 "[ . 1 . 2]" 1
647 1 51 SER HA 1 115 ILE MD 4.170 . 4.170 4.037 3.680 4.303 0.133 7 0 "[ . 1 . 2]" 1
648 1 51 SER QB 1 52 LEU QB 6.500 . 6.500 4.449 4.248 5.056 . 0 0 "[ . 1 . 2]" 1
649 1 51 SER QB 1 52 LEU HG 6.000 . 6.000 3.326 3.027 4.136 . 0 0 "[ . 1 . 2]" 1
650 1 51 SER QB 1 55 MET ME 6.000 . 6.000 4.915 4.249 5.416 . 0 0 "[ . 1 . 2]" 1
651 1 51 SER QB 1 115 ILE MD 4.300 . 4.300 2.126 1.807 2.693 . 0 0 "[ . 1 . 2]" 1
652 1 51 SER QB 1 115 ILE QG 5.300 . 5.300 3.211 1.958 4.206 . 0 0 "[ . 1 . 2]" 1
653 1 51 SER QB 1 115 ILE MG 4.300 . 4.300 2.516 1.947 3.029 . 0 0 "[ . 1 . 2]" 1
654 1 52 LEU H 1 52 LEU HG 3.590 . 3.590 2.451 2.358 2.617 . 0 0 "[ . 1 . 2]" 1
655 1 52 LEU H 1 53 LYS H . . 2.500 2.492 2.420 2.555 0.055 14 0 "[ . 1 . 2]" 1
656 1 52 LEU H 1 53 LYS HA 5.250 . 5.250 5.127 5.029 5.210 . 0 0 "[ . 1 . 2]" 1
657 1 52 LEU H 1 115 ILE MD 4.370 . 4.370 3.445 3.026 4.037 . 0 0 "[ . 1 . 2]" 1
658 1 52 LEU HA 1 52 LEU QD 3.910 . 3.910 2.019 1.988 2.035 . 0 0 "[ . 1 . 2]" 1
659 1 52 LEU HA 1 52 LEU HG 3.700 . 3.700 2.811 2.735 2.962 . 0 0 "[ . 1 . 2]" 1
660 1 52 LEU HA 1 53 LYS H 3.500 . 3.500 3.466 3.385 3.518 0.018 15 0 "[ . 1 . 2]" 1
661 1 52 LEU HA 1 55 MET H 3.990 . 3.990 3.633 3.393 3.863 . 0 0 "[ . 1 . 2]" 1
662 1 52 LEU HA 1 55 MET ME 3.340 . 3.340 2.930 2.360 3.424 0.084 5 0 "[ . 1 . 2]" 1
663 1 52 LEU HA 1 55 MET QG 5.200 . 5.200 2.849 1.918 4.087 . 0 0 "[ . 1 . 2]" 1
664 1 52 LEU HA 1 58 VAL QG 5.700 . 5.700 3.778 2.899 4.140 . 0 0 "[ . 1 . 2]" 1
665 1 52 LEU HA 1 61 VAL QG 6.000 . 6.000 3.765 3.481 4.612 . 0 0 "[ . 1 . 2]" 1
666 1 52 LEU HA 1 115 ILE MD 3.960 . 3.960 3.177 2.444 3.929 . 0 0 "[ . 1 . 2]" 1
667 1 52 LEU QB 1 53 LYS HA 5.500 . 5.500 3.978 3.859 4.090 . 0 0 "[ . 1 . 2]" 1
668 1 52 LEU QB 1 53 LYS QB 6.500 . 6.500 4.071 3.794 4.344 . 0 0 "[ . 1 . 2]" 1
669 1 52 LEU QB 1 55 MET QG 6.500 . 6.500 4.430 3.234 5.503 . 0 0 "[ . 1 . 2]" 1
670 1 52 LEU QB 1 58 VAL QG 5.500 . 5.500 3.463 2.779 3.815 . 0 0 "[ . 1 . 2]" 1
671 1 52 LEU QB 1 61 VAL QG 4.900 . 4.900 2.012 1.781 2.506 . 0 0 "[ . 1 . 2]" 1
672 1 52 LEU QB 1 97 VAL HB 6.000 . 6.000 4.841 4.018 5.335 . 0 0 "[ . 1 . 2]" 1
673 1 52 LEU QD 1 55 MET QG 5.900 . 5.900 3.216 2.420 4.076 . 0 0 "[ . 1 . 2]" 1
674 1 52 LEU QD 1 61 VAL QG 3.720 . 3.720 2.552 2.210 2.839 . 0 0 "[ . 1 . 2]" 1
675 1 52 LEU QD 1 95 TYR QD 4.950 . 4.950 2.585 2.404 2.764 . 0 0 "[ . 1 . 2]" 1
676 1 52 LEU QD 1 95 TYR QE 5.500 . 5.500 3.350 3.034 3.612 . 0 0 "[ . 1 . 2]" 1
677 1 52 LEU QD 1 112 ALA MB 3.100 . 3.100 2.132 1.995 2.419 . 0 0 "[ . 1 . 2]" 1
678 1 52 LEU QD 1 115 ILE QG 5.280 . 5.280 2.878 2.025 3.678 . 0 0 "[ . 1 . 2]" 1
679 1 52 LEU QD 1 115 ILE MG 3.810 . 3.810 3.185 2.602 3.572 . 0 0 "[ . 1 . 2]" 1
680 1 52 LEU HG 1 55 MET ME 4.450 . 4.450 4.225 3.858 4.637 0.187 8 0 "[ . 1 . 2]" 1
681 1 52 LEU HG 1 55 MET QG 6.000 . 6.000 4.980 4.113 6.094 0.094 4 0 "[ . 1 . 2]" 1
682 1 52 LEU HG 1 95 TYR QD 4.740 . 4.740 4.911 4.780 5.048 0.308 10 0 "[ . 1 . 2]" 1
683 1 52 LEU HG 1 95 TYR QE 5.500 . 5.500 5.371 5.061 5.538 0.038 9 0 "[ . 1 . 2]" 1
684 1 52 LEU HG 1 112 ALA HA 5.070 . 5.070 4.824 4.552 5.123 0.053 14 0 "[ . 1 . 2]" 1
685 1 52 LEU HG 1 112 ALA MB 4.310 . 4.310 4.439 4.309 4.673 0.363 13 0 "[ . 1 . 2]" 1
686 1 52 LEU HG 1 115 ILE MD 3.260 . 3.260 2.530 2.006 3.347 0.087 18 0 "[ . 1 . 2]" 1
687 1 52 LEU HG 1 115 ILE MG 3.520 . 3.520 3.116 2.273 3.635 0.115 7 0 "[ . 1 . 2]" 1
688 1 53 LYS H 1 54 ASN H 3.180 . 3.180 2.423 2.203 2.634 . 0 0 "[ . 1 . 2]" 1
689 1 53 LYS H 1 55 MET H 4.770 . 4.770 3.771 3.596 4.004 . 0 0 "[ . 1 . 2]" 1
690 1 53 LYS H 1 58 VAL QG 4.600 . 4.600 4.202 3.839 4.561 . 0 0 "[ . 1 . 2]" 1
691 1 53 LYS HA 1 53 LYS QD 4.600 . 4.600 2.517 1.986 3.508 . 0 0 "[ . 1 . 2]" 1
692 1 53 LYS HA 1 53 LYS QE 4.570 . 4.570 2.999 2.089 4.084 . 0 0 "[ . 1 . 2]" 1
693 1 53 LYS HA 1 53 LYS QG 3.410 . 3.410 2.339 2.045 2.857 . 0 0 "[ . 1 . 2]" 1
694 1 53 LYS HA 1 58 VAL HB 4.690 . 4.690 4.482 3.441 4.888 0.198 14 0 "[ . 1 . 2]" 1
695 1 53 LYS HA 1 58 VAL QG 4.600 . 4.600 2.545 2.015 2.995 . 0 0 "[ . 1 . 2]" 1
696 1 53 LYS HA 1 61 VAL HB 4.860 . 4.860 3.954 3.518 4.895 0.035 20 0 "[ . 1 . 2]" 1
697 1 53 LYS HA 1 61 VAL QG 3.390 . 3.390 2.450 2.039 3.042 . 0 0 "[ . 1 . 2]" 1
698 1 53 LYS HA 1 97 VAL QG 5.200 . 5.200 4.648 4.101 5.047 . 0 0 "[ . 1 . 2]" 1
699 1 53 LYS QB 1 58 VAL QG 6.200 . 6.200 4.088 3.658 4.509 . 0 0 "[ . 1 . 2]" 1
700 1 53 LYS QB 1 61 VAL QG 5.200 . 5.200 3.405 2.757 3.968 . 0 0 "[ . 1 . 2]" 1
701 1 53 LYS QB 1 97 VAL QG 5.900 . 5.900 5.495 4.815 6.003 0.103 18 0 "[ . 1 . 2]" 1
702 1 53 LYS QD 1 58 VAL QG 5.000 . 5.000 3.608 2.751 5.021 0.021 3 0 "[ . 1 . 2]" 1
703 1 53 LYS QD 1 61 VAL QG 5.300 . 5.300 3.054 1.894 3.816 . 0 0 "[ . 1 . 2]" 1
704 1 53 LYS QE 1 53 LYS QG 3.040 . 3.040 2.189 1.995 2.419 . 0 0 "[ . 1 . 2]" 1
705 1 53 LYS QE 1 58 VAL QG 5.800 . 5.800 3.320 2.452 4.147 . 0 0 "[ . 1 . 2]" 1
706 1 53 LYS QE 1 60 SER H 4.650 . 4.650 4.658 4.082 4.894 0.244 11 0 "[ . 1 . 2]" 1
707 1 53 LYS QE 1 61 VAL H 4.870 . 4.870 2.524 2.026 3.324 . 0 0 "[ . 1 . 2]" 1
708 1 53 LYS QE 1 61 VAL HB 5.180 . 5.180 3.094 1.984 4.175 . 0 0 "[ . 1 . 2]" 1
709 1 53 LYS QE 1 61 VAL QG 5.400 . 5.400 2.570 2.025 3.585 . 0 0 "[ . 1 . 2]" 1
710 1 53 LYS QE 1 97 VAL QG 5.440 . 5.440 4.903 4.296 5.598 0.158 8 0 "[ . 1 . 2]" 1
711 1 53 LYS QG 1 54 ASN H 4.360 . 4.360 4.227 3.692 4.523 0.163 14 0 "[ . 1 . 2]" 1
712 1 53 LYS QG 1 55 MET H 5.480 . 5.480 5.199 4.775 5.481 0.001 20 0 "[ . 1 . 2]" 1
713 1 53 LYS QG 1 58 VAL QG 5.300 . 5.300 3.800 3.423 4.312 . 0 0 "[ . 1 . 2]" 1
714 1 53 LYS QG 1 61 VAL H 4.850 . 4.850 4.429 3.279 5.011 0.161 2 0 "[ . 1 . 2]" 1
715 1 53 LYS QG 1 61 VAL HB 4.400 . 4.400 3.425 2.026 4.520 0.120 8 0 "[ . 1 . 2]" 1
716 1 53 LYS QG 1 61 VAL QG 3.780 . 3.780 2.977 1.924 3.766 . 0 0 "[ . 1 . 2]" 1
717 1 54 ASN H 1 54 ASN QB 3.500 . 3.500 2.424 2.265 2.671 . 0 0 "[ . 1 . 2]" 1
718 1 54 ASN H 1 55 MET QB 5.320 . 5.320 4.290 3.966 4.813 . 0 0 "[ . 1 . 2]" 1
719 1 54 ASN H 1 55 MET QG 5.500 . 5.500 4.650 3.329 5.709 0.209 2 0 "[ . 1 . 2]" 1
720 1 54 ASN H 1 58 VAL QG 4.500 . 4.500 4.209 3.831 4.776 0.276 3 0 "[ . 1 . 2]" 1
721 1 54 ASN HA 1 55 MET H 5.500 . 5.500 3.246 3.174 3.350 . 0 0 "[ . 1 . 2]" 1
722 1 54 ASN HA 1 58 VAL QG 5.200 . 5.200 4.279 3.841 5.347 0.147 3 0 "[ . 1 . 2]" 1
723 1 54 ASN QB 1 55 MET H 5.100 . 5.100 3.613 3.324 3.961 . 0 0 "[ . 1 . 2]" 1
724 1 54 ASN QB 1 55 MET HA 5.200 . 5.200 4.374 4.116 4.898 . 0 0 "[ . 1 . 2]" 1
725 1 55 MET H 1 55 MET QB 3.200 . 3.200 2.191 2.029 2.517 . 0 0 "[ . 1 . 2]" 1
726 1 55 MET H 1 56 SER H 5.500 . 5.500 2.754 2.611 2.865 . 0 0 "[ . 1 . 2]" 1
727 1 55 MET H 1 58 VAL H 5.500 . 5.500 4.940 4.306 5.796 0.296 2 0 "[ . 1 . 2]" 1
728 1 55 MET HA 1 55 MET ME 4.170 . 4.170 4.179 3.592 4.459 0.289 12 0 "[ . 1 . 2]" 1
729 1 55 MET HA 1 58 VAL QG 5.200 . 5.200 4.169 3.724 4.659 . 0 0 "[ . 1 . 2]" 1
730 1 55 MET QB 1 55 MET ME 3.660 . 3.660 2.711 1.954 3.475 . 0 0 "[ . 1 . 2]" 1
731 1 55 MET QB 1 58 VAL QG 4.100 . 4.100 2.205 1.670 3.768 . 0 0 "[ . 1 . 2]" 1
732 1 55 MET ME 1 57 THR MG 5.500 . 5.500 5.531 5.097 5.708 0.208 11 0 "[ . 1 . 2]" 1
733 1 55 MET ME 1 107 THR MG 5.420 . 5.420 4.934 4.449 5.484 0.064 17 0 "[ . 1 . 2]" 1
734 1 55 MET ME 1 108 ILE HA 3.750 . 3.750 2.738 2.105 3.191 . 0 0 "[ . 1 . 2]" 1
735 1 55 MET ME 1 108 ILE HB 5.250 . 5.250 4.437 4.193 4.825 . 0 0 "[ . 1 . 2]" 1
736 1 55 MET ME 1 108 ILE MD 2.690 . 2.690 2.568 2.214 2.772 0.082 20 0 "[ . 1 . 2]" 1
737 1 55 MET ME 1 108 ILE MG 3.750 . 3.750 2.043 1.838 2.373 . 0 0 "[ . 1 . 2]" 1
738 1 55 MET ME 1 111 ASP HA 5.500 . 5.500 4.383 3.779 5.271 . 0 0 "[ . 1 . 2]" 1
739 1 55 MET ME 1 111 ASP QB 4.300 . 4.300 2.215 1.897 2.904 . 0 0 "[ . 1 . 2]" 1
740 1 55 MET ME 1 112 ALA HA 3.670 . 3.670 2.753 2.280 3.673 0.003 6 0 "[ . 1 . 2]" 1
741 1 55 MET ME 1 112 ALA MB 3.190 . 3.190 2.558 2.124 3.106 . 0 0 "[ . 1 . 2]" 1
742 1 55 MET ME 1 115 ILE MD 3.200 . 3.200 2.732 2.041 3.331 0.131 11 0 "[ . 1 . 2]" 1
743 1 55 MET QG 1 58 VAL QG 5.700 . 5.700 3.362 2.020 4.297 . 0 0 "[ . 1 . 2]" 1
744 1 55 MET QG 1 61 VAL QG 5.800 . 5.800 4.948 3.795 5.938 0.138 11 0 "[ . 1 . 2]" 1
745 1 55 MET QG 1 97 VAL QG 5.900 . 5.900 4.419 3.242 5.610 . 0 0 "[ . 1 . 2]" 1
746 1 55 MET QG 1 108 ILE MD 5.300 . 5.300 3.413 2.434 4.259 . 0 0 "[ . 1 . 2]" 1
747 1 55 MET QG 1 108 ILE MG 5.400 . 5.400 3.813 2.822 4.617 . 0 0 "[ . 1 . 2]" 1
748 1 55 MET QG 1 112 ALA MB 6.000 . 6.000 4.808 4.115 5.397 . 0 0 "[ . 1 . 2]" 1
749 1 55 MET QG 1 115 ILE MD 6.000 . 6.000 3.494 2.262 5.127 . 0 0 "[ . 1 . 2]" 1
750 1 56 SER H 1 57 THR H 5.500 . 5.500 3.698 2.899 4.348 . 0 0 "[ . 1 . 2]" 1
751 1 56 SER HA 1 58 VAL H 4.300 . 4.300 3.619 3.009 4.100 . 0 0 "[ . 1 . 2]" 1
752 1 56 SER QB 1 57 THR H 5.500 . 5.500 2.686 1.969 4.024 . 0 0 "[ . 1 . 2]" 1
753 1 56 SER QB 1 57 THR MG 5.370 . 5.370 5.047 4.775 5.557 0.187 8 0 "[ . 1 . 2]" 1
754 1 57 THR H 1 58 VAL H 3.490 . 3.490 2.597 1.799 2.862 . 0 0 "[ . 1 . 2]" 1
755 1 57 THR H 1 58 VAL QG 6.000 . 6.000 3.604 2.887 4.070 . 0 0 "[ . 1 . 2]" 1
756 1 57 THR HA 1 57 THR MG 2.810 . 2.810 2.268 2.147 2.699 . 0 0 "[ . 1 . 2]" 1
757 1 57 THR HA 1 58 VAL H 6.000 . 6.000 3.287 3.036 3.465 . 0 0 "[ . 1 . 2]" 1
758 1 57 THR HA 1 100 ASN QB 3.800 . 3.800 3.228 2.883 3.628 . 0 0 "[ . 1 . 2]" 1
759 1 57 THR HA 1 100 ASN QD 6.000 . 6.000 3.510 2.006 4.426 . 0 0 "[ . 1 . 2]" 1
760 1 57 THR HB 1 104 ASP QB 4.780 . 4.780 4.250 3.782 4.894 0.114 12 0 "[ . 1 . 2]" 1
761 1 57 THR HB 1 108 ILE HA 5.500 . 5.500 4.832 4.384 5.555 0.055 12 0 "[ . 1 . 2]" 1
762 1 57 THR HB 1 108 ILE MD 3.830 . 3.830 2.016 1.913 2.568 . 0 0 "[ . 1 . 2]" 1
763 1 57 THR HB 1 108 ILE QG 4.900 . 4.900 3.621 3.237 4.217 . 0 0 "[ . 1 . 2]" 1
764 1 57 THR MG 1 58 VAL H 4.170 . 4.170 4.035 3.229 4.261 0.091 18 0 "[ . 1 . 2]" 1
765 1 57 THR MG 1 58 VAL HA 5.500 . 5.500 3.954 3.132 4.285 . 0 0 "[ . 1 . 2]" 1
766 1 57 THR MG 1 100 ASN QB 4.900 . 4.900 2.394 2.047 2.765 . 0 0 "[ . 1 . 2]" 1
767 1 57 THR MG 1 100 ASN QD 6.000 . 6.000 3.639 1.842 4.536 . 0 0 "[ . 1 . 2]" 1
768 1 57 THR MG 1 104 ASP QB 3.350 . 3.350 2.161 1.930 2.442 . 0 0 "[ . 1 . 2]" 1
769 1 57 THR MG 1 105 VAL HA 5.500 . 5.500 5.494 5.179 5.643 0.143 17 0 "[ . 1 . 2]" 1
770 1 57 THR MG 1 108 ILE HA 5.500 . 5.500 4.897 4.371 5.488 . 0 0 "[ . 1 . 2]" 1
771 1 57 THR MG 1 108 ILE MD 3.340 . 3.340 2.404 1.842 2.943 . 0 0 "[ . 1 . 2]" 1
772 1 57 THR MG 1 108 ILE QG 4.100 . 4.100 2.857 2.389 3.249 . 0 0 "[ . 1 . 2]" 1
773 1 58 VAL H 1 59 LYS H 4.810 . 4.810 4.501 4.328 4.598 . 0 0 "[ . 1 . 2]" 1
774 1 58 VAL H 1 100 ASN H 5.310 . 5.310 5.232 5.000 5.412 0.102 17 0 "[ . 1 . 2]" 1
775 1 58 VAL H 1 100 ASN QB 5.340 . 5.340 5.016 4.576 5.641 0.301 9 0 "[ . 1 . 2]" 1
776 1 58 VAL H 1 100 ASN QD 6.000 . 6.000 5.383 3.420 6.075 0.075 14 0 "[ . 1 . 2]" 1
777 1 58 VAL HA 1 59 LYS H 5.500 . 5.500 2.193 2.131 2.289 . 0 0 "[ . 1 . 2]" 1
778 1 58 VAL HA 1 59 LYS QB 6.000 . 6.000 4.139 4.026 4.497 . 0 0 "[ . 1 . 2]" 1
779 1 58 VAL HA 1 60 SER H 4.200 . 4.200 4.077 3.917 4.249 0.049 18 0 "[ . 1 . 2]" 1
780 1 58 VAL HA 1 98 GLU H 4.940 . 4.940 4.697 4.312 4.939 . 0 0 "[ . 1 . 2]" 1
781 1 58 VAL HA 1 99 ALA H 5.500 . 5.500 5.128 4.923 5.343 . 0 0 "[ . 1 . 2]" 1
782 1 58 VAL HA 1 99 ALA HA 4.020 . 4.020 2.929 2.715 3.127 . 0 0 "[ . 1 . 2]" 1
783 1 58 VAL HA 1 99 ALA MB 4.530 . 4.530 4.448 4.276 4.606 0.076 20 0 "[ . 1 . 2]" 1
784 1 58 VAL HA 1 108 ILE MD 4.080 . 4.080 3.234 2.617 3.873 . 0 0 "[ . 1 . 2]" 1
785 1 58 VAL HB 1 97 VAL QG 4.300 . 4.300 3.062 2.039 4.522 0.222 3 0 "[ . 1 . 2]" 1
786 1 58 VAL QG 1 59 LYS H 4.500 . 4.500 2.675 2.051 3.593 . 0 0 "[ . 1 . 2]" 1
787 1 58 VAL QG 1 59 LYS HA 5.500 . 5.500 3.775 3.425 4.354 . 0 0 "[ . 1 . 2]" 1
788 1 58 VAL QG 1 59 LYS QB 4.500 . 4.500 4.022 3.586 4.723 0.223 19 0 "[ . 1 . 2]" 1
789 1 58 VAL QG 1 59 LYS QG 6.500 . 6.500 4.628 3.822 5.355 . 0 0 "[ . 1 . 2]" 1
790 1 58 VAL QG 1 60 SER H 3.700 . 3.700 2.846 2.160 3.850 0.150 19 0 "[ . 1 . 2]" 1
791 1 58 VAL QG 1 60 SER HA 6.000 . 6.000 3.579 3.111 4.667 . 0 0 "[ . 1 . 2]" 1
792 1 58 VAL QG 1 60 SER QB 6.000 . 6.000 4.509 4.026 5.330 . 0 0 "[ . 1 . 2]" 1
793 1 58 VAL QG 1 61 VAL H 5.900 . 5.900 4.289 3.833 5.219 . 0 0 "[ . 1 . 2]" 1
794 1 58 VAL QG 1 97 VAL HA 4.100 . 4.100 3.768 3.273 4.339 0.239 2 0 "[ . 1 . 2]" 1
795 1 58 VAL QG 1 97 VAL HB 4.500 . 4.500 3.635 1.939 4.508 0.008 20 0 "[ . 1 . 2]" 1
796 1 58 VAL QG 1 97 VAL QG 5.700 . 5.700 2.003 1.617 2.876 . 0 0 "[ . 1 . 2]" 1
797 1 58 VAL QG 1 98 GLU QB 5.800 . 5.800 4.146 3.325 4.815 . 0 0 "[ . 1 . 2]" 1
798 1 59 LYS H 1 59 LYS QG 4.280 . 4.280 3.645 2.277 4.076 . 0 0 "[ . 1 . 2]" 1
799 1 59 LYS H 1 60 SER H 3.470 . 3.470 2.327 2.035 2.720 . 0 0 "[ . 1 . 2]" 1
800 1 59 LYS H 1 60 SER HA 5.500 . 5.500 4.858 4.665 5.182 . 0 0 "[ . 1 . 2]" 1
801 1 59 LYS H 1 60 SER QB 5.500 . 5.500 4.846 4.450 5.252 . 0 0 "[ . 1 . 2]" 1
802 1 59 LYS H 1 98 GLU H 4.870 . 4.870 3.717 3.472 4.103 . 0 0 "[ . 1 . 2]" 1
803 1 59 LYS H 1 98 GLU QB 4.100 . 4.100 3.245 2.802 3.669 . 0 0 "[ . 1 . 2]" 1
804 1 59 LYS H 1 100 ASN H 4.760 . 4.760 4.267 3.716 4.812 0.052 19 0 "[ . 1 . 2]" 1
805 1 59 LYS H 1 100 ASN QB 5.340 . 5.340 4.867 4.167 5.398 0.058 13 0 "[ . 1 . 2]" 1
806 1 59 LYS HA 1 59 LYS QD 4.160 . 4.160 3.551 2.001 4.230 0.070 11 0 "[ . 1 . 2]" 1
807 1 59 LYS HA 1 59 LYS QE 4.860 . 4.860 4.255 2.055 4.987 0.127 16 0 "[ . 1 . 2]" 1
808 1 59 LYS QB 1 59 LYS QD 3.200 . 3.200 2.180 2.060 2.275 . 0 0 "[ . 1 . 2]" 1
809 1 59 LYS QB 1 98 GLU HA 4.700 . 4.700 4.530 4.194 4.852 0.152 8 0 "[ . 1 . 2]" 1
810 1 59 LYS QB 1 98 GLU QG 4.220 . 4.220 3.935 3.324 4.325 0.105 5 0 "[ . 1 . 2]" 1
811 1 59 LYS QE 1 60 SER QB 4.910 . 4.910 4.426 3.866 5.241 0.331 11 0 "[ . 1 . 2]" 1
812 1 59 LYS QG 1 60 SER H 3.680 . 3.680 3.543 3.032 3.921 0.241 19 0 "[ . 1 . 2]" 1
813 1 59 LYS QG 1 60 SER QB 5.100 . 5.100 3.264 2.430 5.298 0.198 14 0 "[ . 1 . 2]" 1
814 1 59 LYS QG 1 98 GLU H 5.340 . 5.340 5.332 4.758 5.713 0.373 17 0 "[ . 1 . 2]" 1
815 1 59 LYS QG 1 98 GLU QB 4.500 . 4.500 3.356 2.899 3.725 . 0 0 "[ . 1 . 2]" 1
816 1 60 SER H 1 60 SER HA 3.000 . 3.000 2.891 2.873 2.919 . 0 0 "[ . 1 . 2]" 1
817 1 60 SER H 1 61 VAL H . . 4.300 4.314 4.278 4.349 0.049 18 0 "[ . 1 . 2]" 1
818 1 60 SER H 1 98 GLU H . . 3.200 2.694 2.496 2.906 . 0 0 "[ . 1 . 2]" 1
819 1 60 SER H 1 98 GLU HA 5.100 . 5.100 4.815 4.615 4.975 . 0 0 "[ . 1 . 2]" 1
820 1 60 SER H 1 98 GLU QB 4.700 . 4.700 2.432 2.016 2.827 . 0 0 "[ . 1 . 2]" 1
821 1 60 SER HA 1 61 VAL H 2.200 . 2.200 2.281 2.236 2.346 0.146 11 0 "[ . 1 . 2]" 1
822 1 60 SER HA 1 61 VAL QG 4.130 . 4.130 3.365 3.136 3.476 . 0 0 "[ . 1 . 2]" 1
823 1 60 SER QB 1 61 VAL QG 6.000 . 6.000 4.330 4.174 4.446 . 0 0 "[ . 1 . 2]" 1
824 1 60 SER QB 1 98 GLU QB 5.100 . 5.100 3.271 2.411 4.272 . 0 0 "[ . 1 . 2]" 1
825 1 61 VAL H 1 61 VAL HA 3.000 . 3.000 2.954 2.945 2.964 . 0 0 "[ . 1 . 2]" 1
826 1 61 VAL H 1 61 VAL QG 4.000 . 4.000 2.782 2.033 2.907 . 0 0 "[ . 1 . 2]" 1
827 1 61 VAL H 1 62 THR H 4.300 . 4.300 4.293 4.266 4.325 0.025 2 0 "[ . 1 . 2]" 1
828 1 61 VAL HA 1 62 THR H 2.200 . 2.200 2.165 2.149 2.184 . 0 0 "[ . 1 . 2]" 1
829 1 61 VAL HA 1 95 TYR QD 5.500 . 5.500 4.607 4.166 4.848 . 0 0 "[ . 1 . 2]" 1
830 1 61 VAL HA 1 97 VAL HA 2.400 . 2.400 2.373 2.245 2.461 0.061 17 0 "[ . 1 . 2]" 1
831 1 61 VAL HA 1 97 VAL QG 3.170 . 3.170 2.669 2.317 3.085 . 0 0 "[ . 1 . 2]" 1
832 1 61 VAL HA 1 98 GLU H 3.800 . 3.800 3.729 3.508 3.852 0.052 3 0 "[ . 1 . 2]" 1
833 1 61 VAL HB 1 62 THR H 4.330 . 4.330 4.173 3.950 4.224 . 0 0 "[ . 1 . 2]" 1
834 1 61 VAL HB 1 95 TYR QD 5.500 . 5.500 4.769 4.501 4.880 . 0 0 "[ . 1 . 2]" 1
835 1 61 VAL HB 1 95 TYR QE 5.500 . 5.500 4.972 4.280 5.527 0.027 10 0 "[ . 1 . 2]" 1
836 1 61 VAL HB 1 97 VAL QG 3.670 . 3.670 3.797 2.049 3.969 0.299 16 0 "[ . 1 . 2]" 1
837 1 61 VAL QG 1 62 THR H 3.390 . 3.390 2.572 2.334 2.672 . 0 0 "[ . 1 . 2]" 1
838 1 61 VAL QG 1 62 THR HB 4.910 . 4.910 4.542 4.481 4.637 . 0 0 "[ . 1 . 2]" 1
839 1 61 VAL QG 1 62 THR MG 5.040 . 5.040 4.676 4.427 4.727 . 0 0 "[ . 1 . 2]" 1
840 1 61 VAL QG 1 64 SER H 5.440 . 5.440 5.553 5.437 5.698 0.258 12 0 "[ . 1 . 2]" 1
841 1 61 VAL QG 1 95 TYR H 5.500 . 5.500 5.508 5.127 5.723 0.223 10 0 "[ . 1 . 2]" 1
842 1 61 VAL QG 1 95 TYR HA 3.900 . 3.900 3.760 3.614 3.857 . 0 0 "[ . 1 . 2]" 1
843 1 61 VAL QG 1 95 TYR QB 5.500 . 5.500 2.932 2.298 3.220 . 0 0 "[ . 1 . 2]" 1
844 1 61 VAL QG 1 95 TYR QD 3.590 . 3.590 2.205 2.027 2.336 . 0 0 "[ . 1 . 2]" 1
845 1 61 VAL QG 1 95 TYR QE 3.880 . 3.880 2.822 2.203 3.345 . 0 0 "[ . 1 . 2]" 1
846 1 61 VAL QG 1 96 ILE H 4.140 . 4.140 3.793 3.568 4.030 . 0 0 "[ . 1 . 2]" 1
847 1 61 VAL QG 1 96 ILE HA 5.440 . 5.440 4.825 4.618 5.195 . 0 0 "[ . 1 . 2]" 1
848 1 61 VAL QG 1 97 VAL HA 4.600 . 4.600 2.743 2.427 3.648 . 0 0 "[ . 1 . 2]" 1
849 1 61 VAL QG 1 97 VAL HB 5.070 . 5.070 3.629 2.437 4.994 . 0 0 "[ . 1 . 2]" 1
850 1 61 VAL QG 1 97 VAL QG 2.560 . 2.560 1.775 1.662 2.602 0.042 10 0 "[ . 1 . 2]" 1
851 1 61 VAL QG 1 98 GLU H 4.450 . 4.450 3.613 3.158 4.553 0.103 10 0 "[ . 1 . 2]" 1
852 1 62 THR H 1 62 THR HA 3.000 . 3.000 2.951 2.945 2.956 . 0 0 "[ . 1 . 2]" 1
853 1 62 THR H 1 62 THR MG 3.890 . 3.890 3.824 3.808 3.838 . 0 0 "[ . 1 . 2]" 1
854 1 62 THR H 1 63 PHE H 4.300 . 4.300 4.340 4.281 4.380 0.080 2 0 "[ . 1 . 2]" 1
855 1 62 THR H 1 95 TYR QB 5.400 . 5.400 4.775 4.203 5.176 . 0 0 "[ . 1 . 2]" 1
856 1 62 THR H 1 95 TYR QD 5.500 . 5.500 3.645 3.188 3.936 . 0 0 "[ . 1 . 2]" 1
857 1 62 THR H 1 95 TYR QE 5.500 . 5.500 5.202 4.466 5.564 0.064 9 0 "[ . 1 . 2]" 1
858 1 62 THR H 1 96 ILE H . . 3.200 3.158 2.980 3.245 0.045 3 0 "[ . 1 . 2]" 1
859 1 62 THR H 1 96 ILE MG 4.020 . 4.020 4.061 3.873 4.219 0.199 4 0 "[ . 1 . 2]" 1
860 1 62 THR H 1 97 VAL HA 3.800 . 3.800 3.579 3.280 3.751 . 0 0 "[ . 1 . 2]" 1
861 1 62 THR H 1 98 GLU H 5.500 . 5.500 5.232 5.061 5.353 . 0 0 "[ . 1 . 2]" 1
862 1 62 THR HA 1 62 THR MG 3.290 . 3.290 2.336 2.319 2.367 . 0 0 "[ . 1 . 2]" 1
863 1 62 THR HA 1 63 PHE H 2.200 . 2.200 2.162 2.140 2.188 . 0 0 "[ . 1 . 2]" 1
864 1 62 THR HA 1 95 TYR QD 5.140 . 5.140 4.473 4.173 4.730 . 0 0 "[ . 1 . 2]" 1
865 1 62 THR HA 1 95 TYR QE 5.500 . 5.500 4.716 4.169 5.090 . 0 0 "[ . 1 . 2]" 1
866 1 62 THR HB 1 63 PHE H 4.700 . 4.700 4.177 4.084 4.266 . 0 0 "[ . 1 . 2]" 1
867 1 62 THR HB 1 64 SER H 5.500 . 5.500 5.427 5.087 5.600 0.100 5 0 "[ . 1 . 2]" 1
868 1 62 THR HB 1 64 SER QB 5.500 . 5.500 4.831 4.558 5.496 . 0 0 "[ . 1 . 2]" 1
869 1 62 THR HB 1 95 TYR QD 5.440 . 5.440 5.215 4.704 5.508 0.068 17 0 "[ . 1 . 2]" 1
870 1 62 THR HB 1 96 ILE H 4.500 . 4.500 3.465 3.164 3.671 . 0 0 "[ . 1 . 2]" 1
871 1 62 THR HB 1 96 ILE HA 4.800 . 4.800 4.886 4.621 5.010 0.210 8 0 "[ . 1 . 2]" 1
872 1 62 THR HB 1 96 ILE HB 3.350 . 3.350 1.976 1.801 2.038 . 0 0 "[ . 1 . 2]" 1
873 1 62 THR HB 1 96 ILE MD 3.380 . 3.380 2.696 1.971 3.120 . 0 0 "[ . 1 . 2]" 1
874 1 62 THR HB 1 96 ILE QG 3.510 . 3.510 3.577 3.406 3.718 0.208 4 0 "[ . 1 . 2]" 1
875 1 62 THR HB 1 96 ILE MG 3.920 . 3.920 3.390 3.250 3.502 . 0 0 "[ . 1 . 2]" 1
876 1 62 THR MG 1 63 PHE H 5.500 . 5.500 2.572 2.367 2.761 . 0 0 "[ . 1 . 2]" 1
877 1 62 THR MG 1 63 PHE HA 4.740 . 4.740 3.968 3.901 4.052 . 0 0 "[ . 1 . 2]" 1
878 1 62 THR MG 1 63 PHE QB 5.500 . 5.500 3.929 3.711 4.099 . 0 0 "[ . 1 . 2]" 1
879 1 62 THR MG 1 63 PHE QD 5.500 . 5.500 5.018 4.791 5.236 . 0 0 "[ . 1 . 2]" 1
880 1 62 THR MG 1 64 SER H 4.570 . 4.570 4.098 3.828 4.276 . 0 0 "[ . 1 . 2]" 1
881 1 62 THR MG 1 64 SER QB 4.530 . 4.530 3.604 3.211 4.329 . 0 0 "[ . 1 . 2]" 1
882 1 62 THR MG 1 95 TYR QD 5.500 . 5.500 5.037 4.821 5.278 . 0 0 "[ . 1 . 2]" 1
883 1 62 THR MG 1 96 ILE H 4.330 . 4.330 4.003 3.831 4.166 . 0 0 "[ . 1 . 2]" 1
884 1 62 THR MG 1 96 ILE HB 3.550 . 3.550 3.406 3.204 3.591 0.041 10 0 "[ . 1 . 2]" 1
885 1 62 THR MG 1 96 ILE MD 2.970 . 2.970 2.659 1.905 2.894 . 0 0 "[ . 1 . 2]" 1
886 1 62 THR MG 1 96 ILE QG 3.570 . 3.570 3.715 3.645 3.795 0.225 16 0 "[ . 1 . 2]" 1
887 1 63 PHE H 1 63 PHE HA 3.000 . 3.000 2.915 2.890 2.934 . 0 0 "[ . 1 . 2]" 1
888 1 63 PHE H 1 64 SER H . . 4.300 4.385 4.297 4.458 0.158 20 0 "[ . 1 . 2]" 1
889 1 63 PHE H 1 95 TYR QD 5.500 . 5.500 4.114 3.765 4.285 . 0 0 "[ . 1 . 2]" 1
890 1 63 PHE H 1 95 TYR QE 4.080 . 4.080 3.757 3.360 4.051 . 0 0 "[ . 1 . 2]" 1
891 1 63 PHE HA 1 63 PHE QE 4.930 . 4.930 4.550 4.402 4.689 . 0 0 "[ . 1 . 2]" 1
892 1 63 PHE HA 1 64 SER H 2.200 . 2.200 2.136 2.081 2.191 . 0 0 "[ . 1 . 2]" 1
893 1 63 PHE HA 1 95 TYR HA 2.400 . 2.400 2.629 2.543 2.840 0.440 16 0 "[ . 1 . 2]" 1
894 1 63 PHE HA 1 95 TYR QB 5.500 . 5.500 4.484 4.329 4.675 . 0 0 "[ . 1 . 2]" 1
895 1 63 PHE HA 1 95 TYR QD 3.770 . 3.770 2.746 2.507 2.969 . 0 0 "[ . 1 . 2]" 1
896 1 63 PHE HA 1 95 TYR QE 5.500 . 5.500 3.156 2.907 3.371 . 0 0 "[ . 1 . 2]" 1
897 1 63 PHE HA 1 96 ILE H 3.800 . 3.800 3.566 3.396 3.855 0.055 16 0 "[ . 1 . 2]" 1
898 1 63 PHE QB 1 64 SER H 5.500 . 5.500 3.844 3.754 3.949 . 0 0 "[ . 1 . 2]" 1
899 1 63 PHE QB 1 65 SER H 5.500 . 5.500 5.099 4.457 5.591 0.091 18 0 "[ . 1 . 2]" 1
900 1 63 PHE QB 1 95 TYR HA 6.000 . 6.000 4.498 4.341 4.759 . 0 0 "[ . 1 . 2]" 1
901 1 63 PHE QB 1 95 TYR QE 5.000 . 5.000 2.142 1.915 2.652 . 0 0 "[ . 1 . 2]" 1
902 1 63 PHE QD 1 64 SER HA 5.010 . 5.010 4.130 3.511 4.761 . 0 0 "[ . 1 . 2]" 1
903 1 63 PHE QD 1 64 SER QB 5.500 . 5.500 4.979 4.774 5.156 . 0 0 "[ . 1 . 2]" 1
904 1 63 PHE QD 1 65 SER HA 4.340 . 4.340 4.158 3.547 4.513 0.173 11 0 "[ . 1 . 2]" 1
905 1 63 PHE QD 1 65 SER QB 4.360 . 4.360 4.068 3.215 4.569 0.209 13 0 "[ . 1 . 2]" 1
906 1 63 PHE QD 1 93 ASP HA 5.500 . 5.500 5.437 4.184 5.758 0.258 10 0 "[ . 1 . 2]" 1
907 1 63 PHE QD 1 93 ASP QB 5.500 . 5.500 3.874 3.419 4.480 . 0 0 "[ . 1 . 2]" 1
908 1 63 PHE QD 1 95 TYR QE 3.030 . 3.030 2.750 2.369 2.920 . 0 0 "[ . 1 . 2]" 1
909 1 63 PHE QE 1 64 SER HA 5.500 . 5.500 5.158 4.792 5.588 0.088 15 0 "[ . 1 . 2]" 1
910 1 63 PHE QE 1 65 SER HA 3.970 . 3.970 2.775 1.959 3.383 . 0 0 "[ . 1 . 2]" 1
911 1 63 PHE QE 1 65 SER QB 5.000 . 5.000 3.105 1.899 3.570 . 0 0 "[ . 1 . 2]" 1
912 1 63 PHE QE 1 66 LYS H 5.000 . 5.000 4.559 3.783 5.048 0.048 11 0 "[ . 1 . 2]" 1
913 1 63 PHE QE 1 93 ASP H 5.500 . 5.500 5.247 4.383 5.536 0.036 9 0 "[ . 1 . 2]" 1
914 1 63 PHE QE 1 93 ASP HA 4.510 . 4.510 4.131 2.733 4.545 0.035 10 0 "[ . 1 . 2]" 1
915 1 63 PHE QE 1 93 ASP QB 5.000 . 5.000 2.230 1.908 2.853 . 0 0 "[ . 1 . 2]" 1
916 1 63 PHE HZ 1 65 SER HA 4.250 . 4.250 3.489 2.965 4.147 . 0 0 "[ . 1 . 2]" 1
917 1 63 PHE HZ 1 65 SER QB 5.340 . 5.340 4.676 3.880 5.273 . 0 0 "[ . 1 . 2]" 1
918 1 63 PHE HZ 1 93 ASP HA 4.920 . 4.920 3.936 2.420 4.636 . 0 0 "[ . 1 . 2]" 1
919 1 63 PHE HZ 1 93 ASP QB 5.400 . 5.400 2.498 2.046 2.807 . 0 0 "[ . 1 . 2]" 1
920 1 64 SER H 1 64 SER HA 3.000 . 3.000 2.943 2.921 2.975 . 0 0 "[ . 1 . 2]" 1
921 1 64 SER H 1 94 ALA H 4.600 . 4.600 3.633 2.974 5.014 0.414 16 0 "[ . 1 . 2]" 1
922 1 64 SER H 1 95 TYR HA 3.800 . 3.800 3.034 2.887 3.388 . 0 0 "[ . 1 . 2]" 1
923 1 64 SER HA 1 65 SER H 5.500 . 5.500 2.190 2.145 2.328 . 0 0 "[ . 1 . 2]" 1
924 1 64 SER HA 1 96 ILE MD 4.000 . 4.000 4.117 3.831 4.266 0.266 1 0 "[ . 1 . 2]" 1
925 1 64 SER HA 1 96 ILE QG 5.500 . 5.500 4.746 4.246 5.718 0.218 16 0 "[ . 1 . 2]" 1
926 1 64 SER QB 1 69 GLN QG 6.000 . 6.000 4.217 2.866 6.060 0.060 10 0 "[ . 1 . 2]" 1
927 1 64 SER QB 1 94 ALA H 4.500 . 4.500 3.484 2.367 4.739 0.239 16 0 "[ . 1 . 2]" 1
928 1 64 SER QB 1 94 ALA HA 5.190 . 5.190 4.502 4.065 5.413 0.223 2 0 "[ . 1 . 2]" 1
929 1 64 SER QB 1 94 ALA MB 3.530 . 3.530 2.289 1.812 3.302 . 0 0 "[ . 1 . 2]" 1
930 1 64 SER QB 1 95 TYR H 5.500 . 5.500 4.771 4.457 5.495 . 0 0 "[ . 1 . 2]" 1
931 1 64 SER QB 1 95 TYR QD 5.500 . 5.500 5.527 5.239 5.679 0.179 2 0 "[ . 1 . 2]" 1
932 1 64 SER QB 1 96 ILE HB 5.440 . 5.440 4.526 4.034 5.245 . 0 0 "[ . 1 . 2]" 1
933 1 64 SER QB 1 96 ILE MD 3.330 . 3.330 2.301 1.988 3.155 . 0 0 "[ . 1 . 2]" 1
934 1 64 SER QB 1 96 ILE QG 5.000 . 5.000 2.593 2.077 3.362 . 0 0 "[ . 1 . 2]" 1
935 1 64 SER QB 1 96 ILE MG 5.500 . 5.500 4.766 4.297 5.381 . 0 0 "[ . 1 . 2]" 1
936 1 65 SER H 1 66 LYS H 4.840 . 4.840 4.621 4.598 4.649 . 0 0 "[ . 1 . 2]" 1
937 1 65 SER HA 1 66 LYS H 5.500 . 5.500 2.316 2.186 2.431 . 0 0 "[ . 1 . 2]" 1
938 1 65 SER HA 1 93 ASP H 5.500 . 5.500 5.322 3.329 5.666 0.166 17 0 "[ . 1 . 2]" 1
939 1 65 SER HA 1 93 ASP HA 4.300 . 4.300 3.073 2.553 3.669 . 0 0 "[ . 1 . 2]" 1
940 1 65 SER HA 1 93 ASP QB 4.320 . 4.320 3.743 2.727 4.563 0.243 5 0 "[ . 1 . 2]" 1
941 1 65 SER HA 1 94 ALA H 5.500 . 5.500 4.166 3.474 5.859 0.359 16 0 "[ . 1 . 2]" 1
942 1 65 SER QB 1 66 LYS H 4.230 . 4.230 2.880 2.370 3.612 . 0 0 "[ . 1 . 2]" 1
943 1 66 LYS H 1 66 LYS QE 5.070 . 5.070 3.875 2.967 4.777 . 0 0 "[ . 1 . 2]" 1
944 1 66 LYS H 1 67 GLU H . . 2.500 2.586 2.457 2.733 0.233 16 0 "[ . 1 . 2]" 1
945 1 66 LYS H 1 68 GLU H . . 4.000 4.115 4.040 4.208 0.208 7 0 "[ . 1 . 2]" 1
946 1 66 LYS H 1 69 GLN H 4.900 . 4.900 4.706 4.534 4.894 . 0 0 "[ . 1 . 2]" 1
947 1 66 LYS H 1 69 GLN QE 6.000 . 6.000 5.573 3.540 6.249 0.249 5 0 "[ . 1 . 2]" 1
948 1 66 LYS H 1 93 ASP HA 4.500 . 4.500 3.111 2.448 3.436 . 0 0 "[ . 1 . 2]" 1
949 1 66 LYS H 1 93 ASP QB 5.340 . 5.340 4.430 3.141 5.209 . 0 0 "[ . 1 . 2]" 1
950 1 66 LYS H 1 94 ALA H 5.500 . 5.500 4.954 4.554 5.642 0.142 16 0 "[ . 1 . 2]" 1
951 1 66 LYS H 1 94 ALA MB 6.000 . 6.000 5.720 5.056 6.339 0.339 15 0 "[ . 1 . 2]" 1
952 1 66 LYS HA 1 66 LYS QD 4.570 . 4.570 4.281 3.887 4.443 . 0 0 "[ . 1 . 2]" 1
953 1 66 LYS HA 1 66 LYS QG 3.670 . 3.670 3.311 3.285 3.346 . 0 0 "[ . 1 . 2]" 1
954 1 66 LYS HA 1 67 GLU H 3.500 . 3.500 3.488 3.451 3.508 0.008 1 0 "[ . 1 . 2]" 1
955 1 66 LYS HA 1 68 GLU H 4.400 . 4.400 4.273 3.944 4.427 0.027 20 0 "[ . 1 . 2]" 1
956 1 66 LYS HA 1 69 GLN H 3.500 . 3.500 3.331 3.132 3.582 0.082 8 0 "[ . 1 . 2]" 1
957 1 66 LYS HA 1 69 GLN QB 4.400 . 4.400 2.556 2.283 3.861 . 0 0 "[ . 1 . 2]" 1
958 1 66 LYS HA 1 69 GLN QE 5.220 . 5.220 3.637 2.636 4.922 . 0 0 "[ . 1 . 2]" 1
959 1 66 LYS HA 1 69 GLN QG 4.000 . 4.000 3.610 2.141 4.231 0.231 2 0 "[ . 1 . 2]" 1
960 1 66 LYS HA 1 70 TYR H 4.400 . 4.400 3.997 3.804 4.299 . 0 0 "[ . 1 . 2]" 1
961 1 66 LYS HA 1 91 LEU QB 4.600 . 4.600 3.550 2.197 4.075 . 0 0 "[ . 1 . 2]" 1
962 1 66 LYS HA 1 91 LEU QD 5.500 . 5.500 4.542 3.742 4.887 . 0 0 "[ . 1 . 2]" 1
963 1 66 LYS QB 1 67 GLU QG 6.500 . 6.500 5.111 4.079 6.270 . 0 0 "[ . 1 . 2]" 1
964 1 66 LYS QB 1 69 GLN QG 6.500 . 6.500 4.850 3.643 5.306 . 0 0 "[ . 1 . 2]" 1
965 1 66 LYS QB 1 91 LEU QB 4.700 . 4.700 3.307 2.735 3.715 . 0 0 "[ . 1 . 2]" 1
966 1 66 LYS QB 1 93 ASP H 4.500 . 4.500 3.258 2.447 3.779 . 0 0 "[ . 1 . 2]" 1
967 1 66 LYS QD 1 67 GLU QG 6.000 . 6.000 5.012 3.238 6.324 0.324 13 0 "[ . 1 . 2]" 1
968 1 66 LYS QD 1 93 ASP H 6.000 . 6.000 4.218 3.341 5.518 . 0 0 "[ . 1 . 2]" 1
969 1 66 LYS QE 1 93 ASP H 6.000 . 6.000 4.909 3.372 6.165 0.165 11 0 "[ . 1 . 2]" 1
970 1 66 LYS QG 1 67 GLU HA 4.540 . 4.540 3.255 3.086 3.685 . 0 0 "[ . 1 . 2]" 1
971 1 66 LYS QG 1 67 GLU QG 6.500 . 6.500 3.476 2.091 4.793 . 0 0 "[ . 1 . 2]" 1
972 1 66 LYS QG 1 68 GLU H 5.090 . 5.090 4.238 4.133 4.376 . 0 0 "[ . 1 . 2]" 1
973 1 66 LYS QG 1 70 TYR QB 4.840 . 4.840 4.498 3.970 4.857 0.017 20 0 "[ . 1 . 2]" 1
974 1 66 LYS QG 1 89 ASN QD 6.000 . 6.000 3.286 1.942 4.899 . 0 0 "[ . 1 . 2]" 1
975 1 66 LYS QG 1 91 LEU QB 5.180 . 5.180 4.949 4.218 5.391 0.211 13 0 "[ . 1 . 2]" 1
976 1 66 LYS QG 1 93 ASP H 5.500 . 5.500 5.018 3.950 5.675 0.175 7 0 "[ . 1 . 2]" 1
977 1 67 GLU H 1 68 GLU H . . 2.500 2.542 2.392 2.593 0.093 1 0 "[ . 1 . 2]" 1
978 1 67 GLU H 1 69 GLN H 4.000 . 4.000 3.976 3.914 4.058 0.058 15 0 "[ . 1 . 2]" 1
979 1 67 GLU H 1 70 TYR H 4.900 . 4.900 4.662 4.536 4.809 . 0 0 "[ . 1 . 2]" 1
980 1 67 GLU HA 1 68 GLU H 3.500 . 3.500 3.510 3.481 3.523 0.023 6 0 "[ . 1 . 2]" 1
981 1 67 GLU HA 1 69 GLN H 4.400 . 4.400 4.385 4.290 4.439 0.039 12 0 "[ . 1 . 2]" 1
982 1 67 GLU HA 1 70 TYR H 3.500 . 3.500 3.507 3.367 3.604 0.104 6 0 "[ . 1 . 2]" 1
983 1 67 GLU HA 1 70 TYR QB 3.710 . 3.710 2.777 2.385 2.979 . 0 0 "[ . 1 . 2]" 1
984 1 67 GLU HA 1 70 TYR QD 4.650 . 4.650 4.338 3.754 4.753 0.103 6 0 "[ . 1 . 2]" 1
985 1 67 GLU HA 1 71 GLU H 4.400 . 4.400 4.241 3.982 4.434 0.034 1 0 "[ . 1 . 2]" 1
986 1 67 GLU HA 1 89 ASN QD 6.000 . 6.000 4.062 2.050 5.776 . 0 0 "[ . 1 . 2]" 1
987 1 67 GLU QB 1 70 TYR QB 4.570 . 4.570 4.454 4.119 4.648 0.078 11 0 "[ . 1 . 2]" 1
988 1 67 GLU QB 1 89 ASN QD 6.000 . 6.000 4.707 3.332 6.072 0.072 4 0 "[ . 1 . 2]" 1
989 1 67 GLU QG 1 70 TYR QB 5.500 . 5.500 4.208 3.621 5.107 . 0 0 "[ . 1 . 2]" 1
990 1 67 GLU QG 1 70 TYR QD 6.000 . 6.000 5.142 3.774 6.174 0.174 15 0 "[ . 1 . 2]" 1
991 1 68 GLU H 1 69 GLN H . . 2.500 2.520 2.459 2.569 0.069 19 0 "[ . 1 . 2]" 1
992 1 68 GLU H 1 70 TYR H 4.000 . 4.000 3.997 3.849 4.076 0.076 18 0 "[ . 1 . 2]" 1
993 1 68 GLU H 1 71 GLU H 4.900 . 4.900 4.765 4.670 4.849 . 0 0 "[ . 1 . 2]" 1
994 1 68 GLU HA 1 68 GLU QB 2.610 . 2.610 2.409 2.353 2.539 . 0 0 "[ . 1 . 2]" 1
995 1 68 GLU HA 1 69 GLN H 3.500 . 3.500 3.504 3.480 3.529 0.029 8 0 "[ . 1 . 2]" 1
996 1 68 GLU HA 1 69 GLN HA 4.740 . 4.740 4.771 4.702 4.801 0.061 20 0 "[ . 1 . 2]" 1
997 1 68 GLU HA 1 70 TYR H 4.400 . 4.400 4.326 4.228 4.410 0.010 18 0 "[ . 1 . 2]" 1
998 1 68 GLU HA 1 71 GLU H 3.500 . 3.500 3.472 3.349 3.591 0.091 16 0 "[ . 1 . 2]" 1
999 1 68 GLU HA 1 71 GLU QB 4.500 . 4.500 2.842 2.541 3.896 . 0 0 "[ . 1 . 2]" 1
1000 1 68 GLU HA 1 71 GLU QG 4.800 . 4.800 4.536 2.093 4.928 0.128 5 0 "[ . 1 . 2]" 1
1001 1 68 GLU HA 1 72 LYS H 4.400 . 4.400 4.263 4.026 4.426 0.026 7 0 "[ . 1 . 2]" 1
1002 1 68 GLU QB 1 72 LYS QE 5.500 . 5.500 5.020 3.931 5.584 0.084 8 0 "[ . 1 . 2]" 1
1003 1 68 GLU QG 1 69 GLN HA 6.000 . 6.000 4.215 3.568 5.736 . 0 0 "[ . 1 . 2]" 1
1004 1 68 GLU QG 1 72 LYS QD 5.300 . 5.300 4.533 3.834 5.688 0.388 7 0 "[ . 1 . 2]" 1
1005 1 68 GLU QG 1 72 LYS QE 5.700 . 5.700 3.674 2.839 5.758 0.058 11 0 "[ . 1 . 2]" 1
1006 1 68 GLU QG 1 72 LYS QG 5.400 . 5.400 3.137 2.327 5.004 . 0 0 "[ . 1 . 2]" 1
1007 1 69 GLN H 1 69 GLN QE 5.000 . 5.000 4.403 3.441 4.998 . 0 0 "[ . 1 . 2]" 1
1008 1 69 GLN H 1 69 GLN QG 4.000 . 4.000 3.225 1.944 4.044 0.044 14 0 "[ . 1 . 2]" 1
1009 1 69 GLN H 1 70 TYR H . . 2.500 2.556 2.439 2.597 0.097 6 0 "[ . 1 . 2]" 1
1010 1 69 GLN H 1 71 GLU H 4.000 . 4.000 4.058 4.001 4.090 0.090 16 0 "[ . 1 . 2]" 1
1011 1 69 GLN H 1 72 LYS H 4.900 . 4.900 4.730 4.592 4.879 . 0 0 "[ . 1 . 2]" 1
1012 1 69 GLN HA 1 69 GLN QE 5.340 . 5.340 4.224 2.797 5.205 . 0 0 "[ . 1 . 2]" 1
1013 1 69 GLN HA 1 70 TYR H 3.500 . 3.500 3.510 3.494 3.524 0.024 6 0 "[ . 1 . 2]" 1
1014 1 69 GLN HA 1 71 GLU H 4.400 . 4.400 4.353 4.279 4.439 0.039 18 0 "[ . 1 . 2]" 1
1015 1 69 GLN HA 1 72 LYS H 3.500 . 3.500 3.418 3.314 3.556 0.056 17 0 "[ . 1 . 2]" 1
1016 1 69 GLN HA 1 72 LYS QB 4.500 . 4.500 2.670 2.393 3.059 . 0 0 "[ . 1 . 2]" 1
1017 1 69 GLN HA 1 73 LEU H 4.400 . 4.400 4.168 3.841 4.473 0.073 7 0 "[ . 1 . 2]" 1
1018 1 69 GLN HA 1 73 LEU QD 5.500 . 5.500 4.161 3.500 4.968 . 0 0 "[ . 1 . 2]" 1
1019 1 69 GLN HA 1 91 LEU QD 5.800 . 5.800 4.806 4.040 5.689 . 0 0 "[ . 1 . 2]" 1
1020 1 69 GLN QB 1 70 TYR QB 5.000 . 5.000 3.997 3.834 4.761 . 0 0 "[ . 1 . 2]" 1
1021 1 69 GLN QB 1 73 LEU QB 6.500 . 6.500 4.990 4.221 5.458 . 0 0 "[ . 1 . 2]" 1
1022 1 69 GLN QB 1 73 LEU QD 4.700 . 4.700 3.676 2.827 4.749 0.049 10 0 "[ . 1 . 2]" 1
1023 1 69 GLN QB 1 91 LEU QD 5.000 . 5.000 3.124 2.264 3.915 . 0 0 "[ . 1 . 2]" 1
1024 1 69 GLN QE 1 94 ALA H 6.000 . 6.000 4.194 1.982 5.710 . 0 0 "[ . 1 . 2]" 1
1025 1 69 GLN QE 1 94 ALA MB 5.000 . 5.000 2.385 1.766 3.379 . 0 0 "[ . 1 . 2]" 1
1026 1 69 GLN QG 1 70 TYR H 4.400 . 4.400 3.721 2.132 4.297 . 0 0 "[ . 1 . 2]" 1
1027 1 69 GLN QG 1 91 LEU QD 6.500 . 6.500 2.990 1.881 4.318 . 0 0 "[ . 1 . 2]" 1
1028 1 69 GLN QG 1 94 ALA MB 6.000 . 6.000 3.407 1.985 5.452 . 0 0 "[ . 1 . 2]" 1
1029 1 70 TYR H 1 70 TYR QD 4.390 . 4.390 4.145 3.937 4.193 . 0 0 "[ . 1 . 2]" 1
1030 1 70 TYR H 1 71 GLU H 2.500 . 2.500 2.577 2.534 2.610 0.110 5 0 "[ . 1 . 2]" 1
1031 1 70 TYR H 1 72 LYS H 4.000 . 4.000 4.021 3.939 4.070 0.070 19 0 "[ . 1 . 2]" 1
1032 1 70 TYR H 1 73 LEU H 4.900 . 4.900 4.690 4.568 4.786 . 0 0 "[ . 1 . 2]" 1
1033 1 70 TYR HA 1 70 TYR QD 3.540 . 3.540 2.532 2.024 3.059 . 0 0 "[ . 1 . 2]" 1
1034 1 70 TYR HA 1 70 TYR QE 4.900 . 4.900 4.418 4.191 4.572 . 0 0 "[ . 1 . 2]" 1
1035 1 70 TYR HA 1 71 GLU H 3.500 . 3.500 3.514 3.498 3.532 0.032 16 0 "[ . 1 . 2]" 1
1036 1 70 TYR HA 1 72 LYS H 4.400 . 4.400 4.324 4.198 4.406 0.006 14 0 "[ . 1 . 2]" 1
1037 1 70 TYR HA 1 73 LEU H 3.500 . 3.500 3.408 3.265 3.531 0.031 14 0 "[ . 1 . 2]" 1
1038 1 70 TYR HA 1 73 LEU QB 4.200 . 4.200 2.598 2.369 2.789 . 0 0 "[ . 1 . 2]" 1
1039 1 70 TYR HA 1 74 THR H 4.400 . 4.400 4.203 3.967 4.372 . 0 0 "[ . 1 . 2]" 1
1040 1 70 TYR HA 1 81 TRP HE1 5.500 . 5.500 4.761 3.443 5.430 . 0 0 "[ . 1 . 2]" 1
1041 1 70 TYR HA 1 91 LEU QD 4.100 . 4.100 3.228 1.933 4.232 0.132 9 0 "[ . 1 . 2]" 1
1042 1 70 TYR QB 1 73 LEU H 4.830 . 4.830 4.941 4.851 5.040 0.210 14 0 "[ . 1 . 2]" 1
1043 1 70 TYR QB 1 73 LEU QB 6.000 . 6.000 4.475 4.283 4.617 . 0 0 "[ . 1 . 2]" 1
1044 1 70 TYR QB 1 73 LEU QD 6.000 . 6.000 4.462 3.750 5.314 . 0 0 "[ . 1 . 2]" 1
1045 1 70 TYR QB 1 74 THR MG 4.500 . 4.500 4.130 3.565 4.598 0.098 8 0 "[ . 1 . 2]" 1
1046 1 70 TYR QB 1 89 ASN QD 6.000 . 6.000 4.054 1.922 6.036 0.036 4 0 "[ . 1 . 2]" 1
1047 1 70 TYR QB 1 91 LEU H 6.000 . 6.000 4.760 3.649 5.843 . 0 0 "[ . 1 . 2]" 1
1048 1 70 TYR QB 1 91 LEU QD 4.700 . 4.700 3.756 2.717 4.620 . 0 0 "[ . 1 . 2]" 1
1049 1 70 TYR QD 1 71 GLU H 4.520 . 4.520 3.804 3.473 4.286 . 0 0 "[ . 1 . 2]" 1
1050 1 70 TYR QD 1 71 GLU HA 4.500 . 4.500 3.702 3.013 4.307 . 0 0 "[ . 1 . 2]" 1
1051 1 70 TYR QD 1 71 GLU QB 6.000 . 6.000 4.343 3.783 5.206 . 0 0 "[ . 1 . 2]" 1
1052 1 70 TYR QD 1 71 GLU QG 6.000 . 6.000 5.443 4.827 6.195 0.195 10 0 "[ . 1 . 2]" 1
1053 1 70 TYR QD 1 73 LEU QB 5.600 . 5.600 3.714 2.942 4.395 . 0 0 "[ . 1 . 2]" 1
1054 1 70 TYR QD 1 73 LEU QD 5.000 . 5.000 3.978 3.008 4.912 . 0 0 "[ . 1 . 2]" 1
1055 1 70 TYR QD 1 74 THR HA 6.000 . 6.000 5.703 4.442 6.170 0.170 16 0 "[ . 1 . 2]" 1
1056 1 70 TYR QD 1 81 TRP HZ2 4.340 . 4.340 3.679 2.711 4.350 0.010 9 0 "[ . 1 . 2]" 1
1057 1 70 TYR QD 1 90 PRO QD 6.000 . 6.000 3.158 2.241 3.836 . 0 0 "[ . 1 . 2]" 1
1058 1 70 TYR QD 1 90 PRO QG 5.300 . 5.300 3.397 2.147 4.600 . 0 0 "[ . 1 . 2]" 1
1059 1 70 TYR QD 1 91 LEU QD 4.800 . 4.800 3.384 2.516 4.289 . 0 0 "[ . 1 . 2]" 1
1060 1 70 TYR QE 1 73 LEU QD 5.340 . 5.340 4.793 3.830 5.466 0.126 20 0 "[ . 1 . 2]" 1
1061 1 70 TYR QE 1 74 THR HA 6.000 . 6.000 5.337 4.235 5.899 . 0 0 "[ . 1 . 2]" 1
1062 1 70 TYR QE 1 81 TRP HZ2 5.070 . 5.070 3.462 2.154 5.080 0.010 14 0 "[ . 1 . 2]" 1
1063 1 70 TYR QE 1 84 PHE QB 5.500 . 5.500 4.618 3.229 5.642 0.142 3 0 "[ . 1 . 2]" 1
1064 1 70 TYR QE 1 89 ASN HA 5.500 . 5.500 4.778 2.656 5.674 0.174 14 0 "[ . 1 . 2]" 1
1065 1 70 TYR QE 1 90 PRO QB 5.500 . 5.500 4.661 3.587 5.508 0.008 18 0 "[ . 1 . 2]" 1
1066 1 70 TYR QE 1 90 PRO QD 6.000 . 6.000 3.113 1.882 4.221 . 0 0 "[ . 1 . 2]" 1
1067 1 70 TYR QE 1 90 PRO QG 5.500 . 5.500 3.026 1.844 3.642 . 0 0 "[ . 1 . 2]" 1
1068 1 70 TYR QE 1 91 LEU QD 6.000 . 6.000 4.541 3.380 5.622 . 0 0 "[ . 1 . 2]" 1
1069 1 71 GLU H 1 71 GLU QB 3.500 . 3.500 2.296 2.266 2.618 . 0 0 "[ . 1 . 2]" 1
1070 1 71 GLU H 1 72 LYS H . . 2.500 2.581 2.535 2.614 0.114 7 0 "[ . 1 . 2]" 1
1071 1 71 GLU H 1 72 LYS QB 5.120 . 5.120 4.547 4.469 4.700 . 0 0 "[ . 1 . 2]" 1
1072 1 71 GLU H 1 72 LYS QG 4.220 . 4.220 4.258 4.099 4.397 0.177 17 0 "[ . 1 . 2]" 1
1073 1 71 GLU H 1 73 LEU H 4.000 . 4.000 4.042 4.011 4.091 0.091 18 0 "[ . 1 . 2]" 1
1074 1 71 GLU H 1 74 THR H 4.900 . 4.900 4.764 4.670 4.874 . 0 0 "[ . 1 . 2]" 1
1075 1 71 GLU HA 1 72 LYS H . . 3.500 3.505 3.494 3.516 0.016 1 0 "[ . 1 . 2]" 1
1076 1 71 GLU HA 1 73 LEU H 4.400 . 4.400 4.350 4.282 4.420 0.020 8 0 "[ . 1 . 2]" 1
1077 1 71 GLU HA 1 74 THR H 3.500 . 3.500 3.482 3.410 3.596 0.096 17 0 "[ . 1 . 2]" 1
1078 1 71 GLU HA 1 74 THR HB 4.500 . 4.500 4.376 3.963 4.563 0.063 1 0 "[ . 1 . 2]" 1
1079 1 71 GLU HA 1 75 GLU H 4.400 . 4.400 4.286 4.048 4.397 . 0 0 "[ . 1 . 2]" 1
1080 1 71 GLU QB 1 72 LYS QD 4.700 . 4.700 4.425 3.398 4.732 0.032 16 0 "[ . 1 . 2]" 1
1081 1 71 GLU QB 1 72 LYS QE 6.000 . 6.000 5.022 3.689 5.876 . 0 0 "[ . 1 . 2]" 1
1082 1 71 GLU QB 1 72 LYS QG 5.000 . 5.000 3.206 3.076 4.109 . 0 0 "[ . 1 . 2]" 1
1083 1 71 GLU QB 1 74 THR MG 4.800 . 4.800 4.363 3.654 4.714 . 0 0 "[ . 1 . 2]" 1
1084 1 71 GLU QG 1 72 LYS HA 4.700 . 4.700 3.628 3.375 3.986 . 0 0 "[ . 1 . 2]" 1
1085 1 71 GLU QG 1 72 LYS QB 6.000 . 6.000 4.909 3.550 5.153 . 0 0 "[ . 1 . 2]" 1
1086 1 71 GLU QG 1 72 LYS QD 4.500 . 4.500 4.115 2.940 4.570 0.070 12 0 "[ . 1 . 2]" 1
1087 1 71 GLU QG 1 74 THR MG 6.000 . 6.000 4.274 2.833 5.137 . 0 0 "[ . 1 . 2]" 1
1088 1 72 LYS H 1 72 LYS QG 3.310 . 3.310 2.300 2.135 2.448 . 0 0 "[ . 1 . 2]" 1
1089 1 72 LYS H 1 73 LEU H 2.500 . 2.500 2.563 2.530 2.609 0.109 18 0 "[ . 1 . 2]" 1
1090 1 72 LYS H 1 74 THR H 4.000 . 4.000 4.051 4.010 4.102 0.102 11 0 "[ . 1 . 2]" 1
1091 1 72 LYS H 1 75 GLU H 4.900 . 4.900 4.744 4.615 4.812 . 0 0 "[ . 1 . 2]" 1
1092 1 72 LYS HA 1 72 LYS QD 4.000 . 4.000 2.199 1.990 2.566 . 0 0 "[ . 1 . 2]" 1
1093 1 72 LYS HA 1 72 LYS QE 4.380 . 4.380 4.072 3.330 4.402 0.022 12 0 "[ . 1 . 2]" 1
1094 1 72 LYS HA 1 72 LYS QG 3.330 . 3.330 2.638 2.420 2.984 . 0 0 "[ . 1 . 2]" 1
1095 1 72 LYS HA 1 73 LEU H 3.500 . 3.500 3.520 3.507 3.530 0.030 1 0 "[ . 1 . 2]" 1
1096 1 72 LYS HA 1 74 THR H 4.400 . 4.400 4.336 4.244 4.435 0.035 18 0 "[ . 1 . 2]" 1
1097 1 72 LYS HA 1 75 GLU H 3.500 . 3.500 3.443 3.364 3.511 0.011 18 0 "[ . 1 . 2]" 1
1098 1 72 LYS HA 1 75 GLU QB 3.230 . 3.230 2.719 2.475 2.846 . 0 0 "[ . 1 . 2]" 1
1099 1 72 LYS HA 1 76 ILE H 4.400 . 4.400 4.300 4.090 4.402 0.002 16 0 "[ . 1 . 2]" 1
1100 1 72 LYS QB 1 72 LYS QD 2.790 . 2.790 2.185 2.042 2.367 . 0 0 "[ . 1 . 2]" 1
1101 1 72 LYS QB 1 72 LYS QE 3.480 . 3.480 3.339 2.093 3.759 0.279 15 0 "[ . 1 . 2]" 1
1102 1 72 LYS QB 1 74 THR MG 5.500 . 5.500 5.589 4.937 5.780 0.280 1 0 "[ . 1 . 2]" 1
1103 1 72 LYS QB 1 76 ILE MD 4.000 . 4.000 3.897 3.578 4.125 0.125 10 0 "[ . 1 . 2]" 1
1104 1 72 LYS QB 1 76 ILE MG 3.600 . 3.600 3.589 3.353 3.702 0.102 12 0 "[ . 1 . 2]" 1
1105 1 72 LYS QD 1 72 LYS QG 2.420 . 2.420 2.086 2.041 2.115 . 0 0 "[ . 1 . 2]" 1
1106 1 72 LYS QE 1 72 LYS QG 3.110 . 3.110 2.130 1.999 2.317 . 0 0 "[ . 1 . 2]" 1
1107 1 73 LEU H 1 73 LEU QD 4.190 . 4.190 3.030 2.333 3.574 . 0 0 "[ . 1 . 2]" 1
1108 1 73 LEU H 1 73 LEU HG 4.000 . 4.000 3.321 2.288 4.290 0.290 10 0 "[ . 1 . 2]" 1
1109 1 73 LEU H 1 74 THR H . . 2.500 2.582 2.549 2.619 0.119 11 0 "[ . 1 . 2]" 1
1110 1 73 LEU H 1 75 GLU H 4.000 . 4.000 3.992 3.892 4.050 0.050 9 0 "[ . 1 . 2]" 1
1111 1 73 LEU H 1 76 ILE H 4.900 . 4.900 4.823 4.756 4.869 . 0 0 "[ . 1 . 2]" 1
1112 1 73 LEU H 1 76 ILE MG 5.270 . 5.270 4.887 4.767 5.005 . 0 0 "[ . 1 . 2]" 1
1113 1 73 LEU HA 1 73 LEU HG 3.690 . 3.690 2.608 2.044 3.560 . 0 0 "[ . 1 . 2]" 1
1114 1 73 LEU HA 1 74 THR H 3.500 . 3.500 3.517 3.505 3.536 0.036 11 0 "[ . 1 . 2]" 1
1115 1 73 LEU HA 1 75 GLU H 4.400 . 4.400 4.239 4.174 4.318 . 0 0 "[ . 1 . 2]" 1
1116 1 73 LEU HA 1 76 ILE H 3.500 . 3.500 3.481 3.430 3.548 0.048 17 0 "[ . 1 . 2]" 1
1117 1 73 LEU HA 1 76 ILE HB 4.500 . 4.500 4.707 4.661 4.756 0.256 11 0 "[ . 1 . 2]" 1
1118 1 73 LEU HA 1 76 ILE QG 4.100 . 4.100 1.949 1.920 1.985 . 0 0 "[ . 1 . 2]" 1
1119 1 73 LEU HA 1 77 MET H 4.500 . 4.500 4.002 3.762 4.232 . 0 0 "[ . 1 . 2]" 1
1120 1 73 LEU HA 1 77 MET QB 4.860 . 4.860 4.462 3.907 4.909 0.049 4 0 "[ . 1 . 2]" 1
1121 1 73 LEU HA 1 77 MET ME 4.510 . 4.510 4.316 3.668 4.593 0.083 19 0 "[ . 1 . 2]" 1
1122 1 73 LEU QB 1 74 THR HA 5.400 . 5.400 3.832 3.768 3.910 . 0 0 "[ . 1 . 2]" 1
1123 1 73 LEU QB 1 74 THR HB 5.500 . 5.500 5.111 4.085 5.405 . 0 0 "[ . 1 . 2]" 1
1124 1 73 LEU QB 1 74 THR MG 5.500 . 5.500 3.229 2.933 4.033 . 0 0 "[ . 1 . 2]" 1
1125 1 73 LEU QB 1 76 ILE MD 5.000 . 5.000 3.693 3.485 3.958 . 0 0 "[ . 1 . 2]" 1
1126 1 73 LEU QB 1 77 MET QB 6.000 . 6.000 4.026 3.577 4.506 . 0 0 "[ . 1 . 2]" 1
1127 1 73 LEU QB 1 77 MET ME 5.500 . 5.500 4.480 3.595 5.290 . 0 0 "[ . 1 . 2]" 1
1128 1 73 LEU QB 1 77 MET QG 5.900 . 5.900 4.159 3.085 5.477 . 0 0 "[ . 1 . 2]" 1
1129 1 73 LEU QB 1 81 TRP HD1 6.000 . 6.000 4.697 4.153 5.470 . 0 0 "[ . 1 . 2]" 1
1130 1 73 LEU QB 1 81 TRP HE1 5.200 . 5.200 2.888 2.247 3.554 . 0 0 "[ . 1 . 2]" 1
1131 1 73 LEU QB 1 81 TRP HH2 6.000 . 6.000 4.316 3.481 5.383 . 0 0 "[ . 1 . 2]" 1
1132 1 73 LEU QB 1 81 TRP HZ2 6.000 . 6.000 2.679 1.955 3.591 . 0 0 "[ . 1 . 2]" 1
1133 1 73 LEU QB 1 90 PRO QG 6.500 . 6.500 5.585 3.607 6.552 0.052 11 0 "[ . 1 . 2]" 1
1134 1 73 LEU QB 1 91 LEU QD 6.100 . 6.100 3.486 2.575 4.411 . 0 0 "[ . 1 . 2]" 1
1135 1 73 LEU QD 1 74 THR H 4.980 . 4.980 4.070 3.889 4.172 . 0 0 "[ . 1 . 2]" 1
1136 1 73 LEU QD 1 74 THR HA 5.000 . 5.000 4.761 4.145 5.085 0.085 15 0 "[ . 1 . 2]" 1
1137 1 73 LEU QD 1 76 ILE MD 2.400 . 2.400 2.049 1.740 2.542 0.142 3 0 "[ . 1 . 2]" 1
1138 1 73 LEU QD 1 77 MET ME 4.190 . 4.190 2.926 2.163 3.813 . 0 0 "[ . 1 . 2]" 1
1139 1 73 LEU QD 1 77 MET QG 6.000 . 6.000 3.414 1.915 4.964 . 0 0 "[ . 1 . 2]" 1
1140 1 73 LEU QD 1 81 TRP QB 5.440 . 5.440 5.233 4.311 5.676 0.236 9 0 "[ . 1 . 2]" 1
1141 1 73 LEU QD 1 81 TRP HD1 5.440 . 5.440 5.307 4.917 5.579 0.139 15 0 "[ . 1 . 2]" 1
1142 1 73 LEU QD 1 81 TRP HE1 4.170 . 4.170 3.935 3.445 4.264 0.094 13 0 "[ . 1 . 2]" 1
1143 1 73 LEU QD 1 81 TRP HE3 5.440 . 5.440 4.967 3.755 5.515 0.075 9 0 "[ . 1 . 2]" 1
1144 1 73 LEU QD 1 81 TRP HH2 4.120 . 4.120 3.105 2.263 3.784 . 0 0 "[ . 1 . 2]" 1
1145 1 73 LEU QD 1 81 TRP HZ2 5.100 . 5.100 2.689 1.881 3.465 . 0 0 "[ . 1 . 2]" 1
1146 1 73 LEU QD 1 81 TRP HZ3 4.730 . 4.730 4.320 3.457 4.858 0.128 7 0 "[ . 1 . 2]" 1
1147 1 73 LEU QD 1 91 LEU QD 4.100 . 4.100 2.113 1.739 3.201 . 0 0 "[ . 1 . 2]" 1
1148 1 73 LEU HG 1 74 THR H 5.140 . 5.140 4.786 4.358 5.206 0.066 7 0 "[ . 1 . 2]" 1
1149 1 74 THR H 1 74 THR HB 3.370 . 3.370 3.398 2.608 3.596 0.226 15 0 "[ . 1 . 2]" 1
1150 1 74 THR H 1 75 GLU H . . 2.500 2.510 2.448 2.573 0.073 9 0 "[ . 1 . 2]" 1
1151 1 74 THR H 1 76 ILE H 4.000 . 4.000 4.088 4.034 4.120 0.120 12 0 "[ . 1 . 2]" 1
1152 1 74 THR H 1 76 ILE QG 5.800 . 5.800 4.070 4.019 4.125 . 0 0 "[ . 1 . 2]" 1
1153 1 74 THR H 1 81 TRP HE1 4.730 . 4.730 3.538 2.725 4.088 . 0 0 "[ . 1 . 2]" 1
1154 1 74 THR HA 1 74 THR MG 3.230 . 3.230 2.578 2.404 3.190 . 0 0 "[ . 1 . 2]" 1
1155 1 74 THR HA 1 75 GLU H 3.500 . 3.500 3.499 3.473 3.515 0.015 6 0 "[ . 1 . 2]" 1
1156 1 74 THR HA 1 76 ILE H 4.400 . 4.400 4.328 4.196 4.429 0.029 12 0 "[ . 1 . 2]" 1
1157 1 74 THR HA 1 77 MET QB 3.890 . 3.890 2.697 2.251 3.427 . 0 0 "[ . 1 . 2]" 1
1158 1 74 THR HA 1 77 MET QG 5.500 . 5.500 4.398 3.466 5.514 0.014 15 0 "[ . 1 . 2]" 1
1159 1 74 THR HA 1 80 ASN H 5.500 . 5.500 5.233 4.639 5.762 0.262 14 0 "[ . 1 . 2]" 1
1160 1 74 THR HA 1 81 TRP QB 4.800 . 4.800 4.154 2.688 4.780 . 0 0 "[ . 1 . 2]" 1
1161 1 74 THR HA 1 81 TRP HD1 4.120 . 4.120 2.440 1.912 3.302 . 0 0 "[ . 1 . 2]" 1
1162 1 74 THR HA 1 81 TRP HE1 4.880 . 4.880 2.844 1.934 3.873 . 0 0 "[ . 1 . 2]" 1
1163 1 74 THR HA 1 81 TRP HZ2 5.500 . 5.500 5.319 4.497 5.766 0.266 17 0 "[ . 1 . 2]" 1
1164 1 74 THR HB 1 77 MET QB 5.400 . 5.400 4.819 4.373 5.492 0.092 15 0 "[ . 1 . 2]" 1
1165 1 74 THR HB 1 80 ASN H 5.500 . 5.500 4.975 2.834 5.696 0.196 18 0 "[ . 1 . 2]" 1
1166 1 74 THR HB 1 81 TRP HD1 4.840 . 4.840 3.440 1.882 4.451 . 0 0 "[ . 1 . 2]" 1
1167 1 74 THR MG 1 77 MET QB 5.500 . 5.500 4.382 3.914 5.038 . 0 0 "[ . 1 . 2]" 1
1168 1 74 THR MG 1 81 TRP QB 6.000 . 6.000 4.952 3.903 5.919 . 0 0 "[ . 1 . 2]" 1
1169 1 74 THR MG 1 81 TRP HD1 4.500 . 4.500 3.070 1.840 4.318 . 0 0 "[ . 1 . 2]" 1
1170 1 75 GLU H 1 75 GLU QG 4.160 . 4.160 3.968 3.945 4.041 . 0 0 "[ . 1 . 2]" 1
1171 1 75 GLU H 1 76 ILE H 2.500 . 2.500 2.547 2.506 2.596 0.096 12 0 "[ . 1 . 2]" 1
1172 1 75 GLU HA 1 75 GLU QB 2.680 . 2.680 2.360 2.341 2.390 . 0 0 "[ . 1 . 2]" 1
1173 1 75 GLU HA 1 75 GLU QG 3.380 . 3.380 2.438 2.295 2.918 . 0 0 "[ . 1 . 2]" 1
1174 1 75 GLU HA 1 76 ILE H 3.500 . 3.500 3.519 3.508 3.527 0.027 10 0 "[ . 1 . 2]" 1
1175 1 75 GLU QB 1 75 GLU QG 2.400 . 2.400 2.090 2.027 2.108 . 0 0 "[ . 1 . 2]" 1
1176 1 75 GLU QB 1 76 ILE H 4.000 . 4.000 2.605 2.504 2.718 . 0 0 "[ . 1 . 2]" 1
1177 1 75 GLU QB 1 76 ILE HA 4.760 . 4.760 4.191 4.092 4.252 . 0 0 "[ . 1 . 2]" 1
1178 1 75 GLU QB 1 76 ILE QG 5.600 . 5.600 3.916 3.831 4.031 . 0 0 "[ . 1 . 2]" 1
1179 1 75 GLU QG 1 76 ILE HA 4.780 . 4.780 3.611 3.478 3.748 . 0 0 "[ . 1 . 2]" 1
1180 1 75 GLU QG 1 76 ILE HB 5.500 . 5.500 5.506 5.409 5.615 0.115 18 0 "[ . 1 . 2]" 1
1181 1 75 GLU QG 1 76 ILE QG 5.800 . 5.800 4.931 4.836 5.021 . 0 0 "[ . 1 . 2]" 1
1182 1 75 GLU QG 1 76 ILE MG 3.500 . 3.500 3.419 3.268 3.550 0.050 10 0 "[ . 1 . 2]" 1
1183 1 76 ILE H 1 76 ILE MD 3.580 . 3.580 3.593 3.558 3.631 0.051 11 0 "[ . 1 . 2]" 1
1184 1 76 ILE H 1 77 MET H . . 2.500 2.409 2.310 2.480 . 0 0 "[ . 1 . 2]" 1
1185 1 76 ILE H 1 77 MET QG 5.700 . 5.700 5.004 4.197 6.012 0.312 1 0 "[ . 1 . 2]" 1
1186 1 76 ILE H 1 78 GLY H 5.500 . 5.500 4.157 3.607 5.391 . 0 0 "[ . 1 . 2]" 1
1187 1 76 ILE HA 1 76 ILE MD 4.210 . 4.210 4.123 4.109 4.136 . 0 0 "[ . 1 . 2]" 1
1188 1 76 ILE HA 1 76 ILE MG 2.870 . 2.870 2.333 2.279 2.424 . 0 0 "[ . 1 . 2]" 1
1189 1 76 ILE HA 1 77 MET H 3.500 . 3.500 3.494 3.460 3.522 0.022 6 0 "[ . 1 . 2]" 1
1190 1 76 ILE HB 1 76 ILE MD 2.910 . 2.910 2.268 2.198 2.316 . 0 0 "[ . 1 . 2]" 1
1191 1 76 ILE HB 1 77 MET QG 6.000 . 6.000 4.706 4.057 5.680 . 0 0 "[ . 1 . 2]" 1
1192 1 76 ILE MD 1 76 ILE MG 2.400 . 2.400 1.990 1.880 2.099 . 0 0 "[ . 1 . 2]" 1
1193 1 76 ILE MD 1 77 MET H 3.880 . 3.880 3.914 3.766 4.028 0.148 7 0 "[ . 1 . 2]" 1
1194 1 76 ILE MD 1 77 MET ME 3.220 . 3.220 2.613 2.056 3.080 . 0 0 "[ . 1 . 2]" 1
1195 1 76 ILE MD 1 77 MET QG 4.400 . 4.400 3.685 2.962 4.544 0.144 1 0 "[ . 1 . 2]" 1
1196 1 76 ILE QG 1 77 MET H 4.000 . 4.000 2.178 2.024 2.302 . 0 0 "[ . 1 . 2]" 1
1197 1 76 ILE QG 1 77 MET ME 4.500 . 4.500 2.685 2.096 3.389 . 0 0 "[ . 1 . 2]" 1
1198 1 76 ILE QG 1 77 MET QG 6.500 . 6.500 2.809 1.927 3.949 . 0 0 "[ . 1 . 2]" 1
1199 1 76 ILE MG 1 77 MET H 4.000 . 4.000 3.931 3.893 3.972 . 0 0 "[ . 1 . 2]" 1
1200 1 76 ILE MG 1 77 MET HA 5.500 . 5.500 5.472 5.435 5.511 0.011 1 0 "[ . 1 . 2]" 1
1201 1 77 MET H 1 78 GLY H 3.520 . 3.520 2.570 2.246 3.727 0.207 7 0 "[ . 1 . 2]" 1
1202 1 77 MET H 1 81 TRP QB 5.500 . 5.500 5.042 4.591 5.386 . 0 0 "[ . 1 . 2]" 1
1203 1 77 MET HA 1 77 MET ME 3.580 . 3.580 3.223 2.140 3.976 0.396 16 0 "[ . 1 . 2]" 1
1204 1 77 MET HA 1 78 GLY H 4.000 . 4.000 3.387 2.420 3.569 . 0 0 "[ . 1 . 2]" 1
1205 1 77 MET HA 1 81 TRP QB 4.910 . 4.910 4.496 4.148 5.019 0.109 8 0 "[ . 1 . 2]" 1
1206 1 77 MET QB 1 81 TRP QB 3.590 . 3.590 2.237 1.925 2.757 . 0 0 "[ . 1 . 2]" 1
1207 1 77 MET QB 1 81 TRP HD1 4.350 . 4.350 3.027 2.308 4.451 0.101 8 0 "[ . 1 . 2]" 1
1208 1 77 MET QB 1 81 TRP HE3 5.000 . 5.000 4.293 2.546 5.131 0.131 13 0 "[ . 1 . 2]" 1
1209 1 77 MET ME 1 81 TRP QB 5.500 . 5.500 4.761 3.493 5.605 0.105 19 0 "[ . 1 . 2]" 1
1210 1 77 MET QG 1 78 GLY H 5.500 . 5.500 4.352 3.906 4.936 . 0 0 "[ . 1 . 2]" 1
1211 1 77 MET QG 1 81 TRP QB 5.300 . 5.300 3.176 2.117 4.187 . 0 0 "[ . 1 . 2]" 1
1212 1 78 GLY H 1 79 ASP H 5.140 . 5.140 4.157 2.419 4.623 . 0 0 "[ . 1 . 2]" 1
1213 1 78 GLY H 1 81 TRP QB 5.500 . 5.500 4.457 2.452 5.724 0.224 12 0 "[ . 1 . 2]" 1
1214 1 78 GLY QA 1 79 ASP QB 4.570 . 4.570 3.954 3.524 4.191 . 0 0 "[ . 1 . 2]" 1
1215 1 79 ASP H 1 79 ASP QB 3.370 . 3.370 2.733 2.273 3.407 0.037 17 0 "[ . 1 . 2]" 1
1216 1 80 ASN H 1 81 TRP H 4.600 . 4.600 3.066 2.034 4.634 0.034 14 0 "[ . 1 . 2]" 1
1217 1 80 ASN H 1 81 TRP QB 5.500 . 5.500 4.196 3.373 5.512 0.012 17 0 "[ . 1 . 2]" 1
1218 1 80 ASN HA 1 81 TRP HD1 5.500 . 5.500 4.668 3.176 5.684 0.184 15 0 "[ . 1 . 2]" 1
1219 1 80 ASN QB 1 81 TRP HA 4.680 . 4.680 4.348 3.815 4.823 0.143 3 0 "[ . 1 . 2]" 1
1220 1 81 TRP H 1 82 LYS QB 6.000 . 6.000 4.513 3.276 5.770 . 0 0 "[ . 1 . 2]" 1
1221 1 81 TRP HA 1 82 LYS H 5.500 . 5.500 3.053 2.128 3.511 . 0 0 "[ . 1 . 2]" 1
1222 1 81 TRP QB 1 81 TRP HE3 3.780 . 3.780 2.510 2.436 2.643 . 0 0 "[ . 1 . 2]" 1
1223 1 81 TRP QB 1 81 TRP HZ3 4.750 . 4.750 4.790 4.713 4.881 0.131 13 0 "[ . 1 . 2]" 1
1224 1 81 TRP QB 1 82 LYS H 5.500 . 5.500 3.363 2.260 3.876 . 0 0 "[ . 1 . 2]" 1
1225 1 81 TRP QB 1 82 LYS HA 5.440 . 5.440 4.721 4.512 5.022 . 0 0 "[ . 1 . 2]" 1
1226 1 81 TRP HD1 1 82 LYS HA 5.500 . 5.500 5.125 4.189 5.836 0.336 6 0 "[ . 1 . 2]" 1
1227 1 81 TRP HE1 1 82 LYS QE 6.000 . 6.000 5.363 4.385 6.181 0.181 17 0 "[ . 1 . 2]" 1
1228 1 81 TRP HE1 1 82 LYS QG 6.000 . 6.000 4.340 2.417 6.038 0.038 6 0 "[ . 1 . 2]" 1
1229 1 81 TRP HE3 1 82 LYS HA 5.500 . 5.500 4.576 3.875 4.992 . 0 0 "[ . 1 . 2]" 1
1230 1 81 TRP HH2 1 91 LEU QD 5.600 . 5.600 3.622 1.907 5.107 . 0 0 "[ . 1 . 2]" 1
1231 1 81 TRP HZ2 1 90 PRO QB 6.000 . 6.000 5.435 3.835 6.080 0.080 11 0 "[ . 1 . 2]" 1
1232 1 81 TRP HZ2 1 90 PRO QG 5.700 . 5.700 4.383 2.891 5.519 . 0 0 "[ . 1 . 2]" 1
1233 1 81 TRP HZ2 1 91 LEU QD 4.700 . 4.700 3.554 2.377 4.656 . 0 0 "[ . 1 . 2]" 1
1234 1 81 TRP HZ3 1 82 LYS HA 5.500 . 5.500 5.340 4.499 5.777 0.277 14 0 "[ . 1 . 2]" 1
1235 1 82 LYS H 1 82 LYS QB 3.800 . 3.800 2.628 2.181 3.072 . 0 0 "[ . 1 . 2]" 1
1236 1 82 LYS H 1 82 LYS QG 4.500 . 4.500 3.075 1.916 4.219 . 0 0 "[ . 1 . 2]" 1
1237 1 82 LYS H 1 83 ILE HA 5.500 . 5.500 5.216 3.990 5.691 0.191 18 0 "[ . 1 . 2]" 1
1238 1 82 LYS HA 1 82 LYS QE 5.500 . 5.500 4.348 3.675 5.418 . 0 0 "[ . 1 . 2]" 1
1239 1 82 LYS HA 1 82 LYS QG 3.270 . 3.270 2.526 2.036 3.362 0.092 1 0 "[ . 1 . 2]" 1
1240 1 82 LYS QB 1 82 LYS QD 3.000 . 3.000 2.133 2.038 2.265 . 0 0 "[ . 1 . 2]" 1
1241 1 82 LYS QE 1 82 LYS QG 3.010 . 3.010 2.238 1.970 2.745 . 0 0 "[ . 1 . 2]" 1
1242 1 83 ILE H 1 83 ILE HA 2.940 . 2.940 2.786 2.282 2.953 0.013 2 0 "[ . 1 . 2]" 1
1243 1 83 ILE H 1 83 ILE MG 4.090 . 4.090 3.072 2.192 4.089 . 0 0 "[ . 1 . 2]" 1
1244 1 83 ILE H 1 84 PHE H 4.210 . 4.210 3.313 1.685 4.539 0.329 6 0 "[ . 1 . 2]" 1
1245 1 83 ILE HA 1 83 ILE MD 3.700 . 3.700 3.019 1.977 4.070 0.370 19 0 "[ . 1 . 2]" 1
1246 1 83 ILE HA 1 83 ILE MG 3.250 . 3.250 2.794 2.052 3.206 . 0 0 "[ . 1 . 2]" 1
1247 1 83 ILE HA 1 84 PHE H 3.240 . 3.240 2.634 2.095 3.519 0.279 13 0 "[ . 1 . 2]" 1
1248 1 83 ILE HA 1 84 PHE QD 6.000 . 6.000 4.502 3.119 6.241 0.241 12 0 "[ . 1 . 2]" 1
1249 1 83 ILE HA 1 85 GLU H 5.500 . 5.500 4.257 3.252 5.994 0.494 7 0 "[ . 1 . 2]" 1
1250 1 83 ILE HB 1 83 ILE MD 2.940 . 2.940 2.339 2.118 3.203 0.263 2 0 "[ . 1 . 2]" 1
1251 1 83 ILE HB 1 84 PHE H 5.500 . 5.500 4.041 2.518 4.621 . 0 0 "[ . 1 . 2]" 1
1252 1 83 ILE HB 1 84 PHE QD 5.500 . 5.500 5.139 3.417 5.873 0.373 2 0 "[ . 1 . 2]" 1
1253 1 83 ILE QG 1 84 PHE H 5.300 . 5.300 3.659 1.856 4.682 . 0 0 "[ . 1 . 2]" 1
1254 1 83 ILE QG 1 84 PHE QD 6.500 . 6.500 4.855 2.021 6.500 0.000 12 0 "[ . 1 . 2]" 1
1255 1 83 ILE QG 1 85 GLU H 6.000 . 6.000 4.657 1.890 6.292 0.292 5 0 "[ . 1 . 2]" 1
1256 1 83 ILE MG 1 84 PHE H 4.050 . 4.050 3.211 2.235 4.204 0.154 5 0 "[ . 1 . 2]" 1
1257 1 83 ILE MG 1 84 PHE QD 4.800 . 4.800 3.998 1.895 5.053 0.253 11 0 "[ . 1 . 2]" 1
1258 1 83 ILE MG 1 85 GLU H 5.500 . 5.500 3.902 1.911 5.588 0.088 1 0 "[ . 1 . 2]" 1
1259 1 84 PHE H 1 84 PHE QB 3.600 . 3.600 2.731 2.168 3.447 . 0 0 "[ . 1 . 2]" 1
1260 1 84 PHE H 1 85 GLU H 4.000 . 4.000 2.760 1.656 4.202 0.202 7 0 "[ . 1 . 2]" 1
1261 1 84 PHE H 1 85 GLU QB 6.000 . 6.000 4.599 3.874 5.095 . 0 0 "[ . 1 . 2]" 1
1262 1 84 PHE HA 1 84 PHE QD 3.860 . 3.860 3.126 2.402 3.695 . 0 0 "[ . 1 . 2]" 1
1263 1 84 PHE HA 1 85 GLU H 5.500 . 5.500 2.932 2.123 3.573 . 0 0 "[ . 1 . 2]" 1
1264 1 84 PHE QB 1 85 GLU H 5.500 . 5.500 3.520 2.111 4.027 . 0 0 "[ . 1 . 2]" 1
1265 1 84 PHE QB 1 85 GLU QG 6.000 . 6.000 5.128 3.973 6.252 0.252 9 0 "[ . 1 . 2]" 1
1266 1 84 PHE QB 1 88 ALA MB 6.000 . 6.000 3.422 1.872 6.022 0.022 14 0 "[ . 1 . 2]" 1
1267 1 84 PHE QD 1 85 GLU H 6.000 . 6.000 4.143 2.928 4.769 . 0 0 "[ . 1 . 2]" 1
1268 1 84 PHE QD 1 85 GLU HA 6.000 . 6.000 4.994 3.630 6.367 0.367 4 0 "[ . 1 . 2]" 1
1269 1 84 PHE QD 1 85 GLU QG 5.500 . 5.500 5.279 4.114 5.777 0.277 6 0 "[ . 1 . 2]" 1
1270 1 84 PHE QD 1 88 ALA HA 5.420 . 5.420 4.737 2.596 5.647 0.227 19 0 "[ . 1 . 2]" 1
1271 1 84 PHE QD 1 88 ALA MB 5.500 . 5.500 3.732 2.106 5.611 0.111 20 0 "[ . 1 . 2]" 1
1272 1 84 PHE QD 1 90 PRO QD 6.000 . 6.000 4.355 2.211 5.808 . 0 0 "[ . 1 . 2]" 1
1273 1 85 GLU H 1 85 GLU QB 3.240 . 3.240 2.696 2.183 3.378 0.138 19 0 "[ . 1 . 2]" 1
1274 1 85 GLU HA 1 85 GLU QG 3.420 . 3.420 2.570 2.016 3.361 . 0 0 "[ . 1 . 2]" 1
1275 1 85 GLU HA 1 86 GLY H 5.500 . 5.500 2.770 2.138 3.552 . 0 0 "[ . 1 . 2]" 1
1276 1 85 GLU QB 1 86 GLY H 5.500 . 5.500 3.128 1.855 3.974 . 0 0 "[ . 1 . 2]" 1
1277 1 85 GLU QB 1 86 GLY QA 5.700 . 5.700 3.961 3.477 4.639 . 0 0 "[ . 1 . 2]" 1
1278 1 85 GLU QG 1 86 GLY H 5.500 . 5.500 3.700 1.931 4.518 . 0 0 "[ . 1 . 2]" 1
1279 1 85 GLU QG 1 86 GLY QA 5.500 . 5.500 4.387 2.806 5.384 . 0 0 "[ . 1 . 2]" 1
1280 1 86 GLY QA 1 87 ASP QB 6.500 . 6.500 3.992 3.554 4.650 . 0 0 "[ . 1 . 2]" 1
1281 1 87 ASP H 1 88 ALA H 4.300 . 4.300 2.978 2.369 4.435 0.135 9 0 "[ . 1 . 2]" 1
1282 1 87 ASP QB 1 88 ALA H 3.900 . 3.900 3.079 1.903 3.960 0.060 10 0 "[ . 1 . 2]" 1
1283 1 87 ASP QB 1 88 ALA HA 6.000 . 6.000 4.401 3.890 5.213 . 0 0 "[ . 1 . 2]" 1
1284 1 87 ASP QB 1 88 ALA MB 5.500 . 5.500 4.072 3.066 4.939 . 0 0 "[ . 1 . 2]" 1
1285 1 88 ALA HA 1 89 ASN H 4.000 . 4.000 2.950 2.142 3.571 . 0 0 "[ . 1 . 2]" 1
1286 1 88 ALA HA 1 89 ASN HA 5.500 . 5.500 4.679 4.266 5.368 . 0 0 "[ . 1 . 2]" 1
1287 1 88 ALA HA 1 89 ASN QB 5.900 . 5.900 4.584 4.014 5.371 . 0 0 "[ . 1 . 2]" 1
1288 1 88 ALA HA 1 90 PRO QD 6.000 . 6.000 4.626 3.003 5.887 . 0 0 "[ . 1 . 2]" 1
1289 1 88 ALA MB 1 89 ASN H 4.000 . 4.000 2.682 1.963 3.678 . 0 0 "[ . 1 . 2]" 1
1290 1 88 ALA MB 1 89 ASN QB 5.700 . 5.700 4.174 3.118 5.038 . 0 0 "[ . 1 . 2]" 1
1291 1 88 ALA MB 1 90 PRO QD 6.000 . 6.000 3.742 2.054 5.366 . 0 0 "[ . 1 . 2]" 1
1292 1 89 ASN H 1 90 PRO QD 4.000 . 4.000 3.303 2.242 4.329 0.329 17 0 "[ . 1 . 2]" 1
1293 1 89 ASN QB 1 90 PRO QB 5.600 . 5.600 5.291 4.653 5.583 . 0 0 "[ . 1 . 2]" 1
1294 1 89 ASN QB 1 90 PRO QD 5.600 . 5.600 3.389 2.008 3.830 . 0 0 "[ . 1 . 2]" 1
1295 1 89 ASN QB 1 90 PRO QG 6.500 . 6.500 4.881 3.604 5.460 . 0 0 "[ . 1 . 2]" 1
1296 1 89 ASN QB 1 91 LEU H 6.000 . 6.000 3.842 2.533 6.088 0.088 9 0 "[ . 1 . 2]" 1
1297 1 90 PRO QB 1 91 LEU H 4.500 . 4.500 3.096 2.189 3.526 . 0 0 "[ . 1 . 2]" 1
1298 1 90 PRO QB 1 91 LEU QD 6.100 . 6.100 2.963 1.983 3.894 . 0 0 "[ . 1 . 2]" 1
1299 1 90 PRO QD 1 91 LEU H 4.500 . 4.500 2.926 2.280 4.953 0.453 2 0 "[ . 1 . 2]" 1
1300 1 90 PRO QD 1 91 LEU QD 6.500 . 6.500 4.055 3.331 4.814 . 0 0 "[ . 1 . 2]" 1
1301 1 90 PRO QG 1 91 LEU QD 5.800 . 5.800 3.133 1.966 4.371 . 0 0 "[ . 1 . 2]" 1
1302 1 91 LEU H 1 91 LEU QD 3.600 . 3.600 2.918 2.012 3.455 . 0 0 "[ . 1 . 2]" 1
1303 1 91 LEU H 1 92 TYR H 4.730 . 4.730 4.520 4.412 4.577 . 0 0 "[ . 1 . 2]" 1
1304 1 91 LEU HA 1 91 LEU QD 4.000 . 4.000 2.059 1.800 2.980 . 0 0 "[ . 1 . 2]" 1
1305 1 91 LEU HA 1 92 TYR H 3.240 . 3.240 2.451 2.288 2.695 . 0 0 "[ . 1 . 2]" 1
1306 1 91 LEU HA 1 92 TYR QD 4.520 . 4.520 3.739 3.030 4.378 . 0 0 "[ . 1 . 2]" 1
1307 1 91 LEU HA 1 92 TYR QE 5.500 . 5.500 3.960 3.382 5.185 . 0 0 "[ . 1 . 2]" 1
1308 1 91 LEU QB 1 92 TYR H 3.560 . 3.560 2.343 1.943 2.840 . 0 0 "[ . 1 . 2]" 1
1309 1 91 LEU QD 1 92 TYR QD . . 5.500 4.344 3.498 4.980 . 0 0 "[ . 1 . 2]" 1
1310 1 91 LEU QD 1 92 TYR QE 6.000 . 6.000 4.373 3.312 5.613 . 0 0 "[ . 1 . 2]" 1
1311 1 92 TYR H 1 92 TYR QE 5.500 . 5.500 4.355 3.949 5.276 . 0 0 "[ . 1 . 2]" 1
1312 1 92 TYR H 1 93 ASP H 4.710 . 4.710 4.320 3.894 4.534 . 0 0 "[ . 1 . 2]" 1
1313 1 92 TYR HA 1 92 TYR QD 4.340 . 4.340 2.786 2.009 3.285 . 0 0 "[ . 1 . 2]" 1
1314 1 92 TYR HA 1 92 TYR QE 4.960 . 4.960 4.860 4.226 5.261 0.301 17 0 "[ . 1 . 2]" 1
1315 1 92 TYR QB 1 93 ASP H 4.000 . 4.000 2.174 1.923 3.545 . 0 0 "[ . 1 . 2]" 1
1316 1 92 TYR QB 1 94 ALA HA 6.000 . 6.000 5.248 3.903 5.795 . 0 0 "[ . 1 . 2]" 1
1317 1 92 TYR QB 1 94 ALA MB 5.500 . 5.500 5.054 3.820 5.423 . 0 0 "[ . 1 . 2]" 1
1318 1 92 TYR QD 1 119 SER QB 5.400 . 5.400 3.198 2.778 3.837 . 0 0 "[ . 1 . 2]" 1
1319 1 92 TYR QD 1 120 GLU QB . . 5.500 4.977 4.460 5.554 0.054 3 0 "[ . 1 . 2]" 1
1320 1 92 TYR QE 1 119 SER HA 5.500 . 5.500 5.467 4.869 5.724 0.224 7 0 "[ . 1 . 2]" 1
1321 1 92 TYR QE 1 119 SER QB 5.000 . 5.000 3.195 2.573 4.008 . 0 0 "[ . 1 . 2]" 1
1322 1 93 ASP H 1 94 ALA H 4.620 . 4.620 4.348 2.661 4.615 . 0 0 "[ . 1 . 2]" 1
1323 1 93 ASP H 1 94 ALA MB 5.500 . 5.500 5.196 4.180 5.429 . 0 0 "[ . 1 . 2]" 1
1324 1 93 ASP HA 1 94 ALA H 4.500 . 4.500 2.441 2.194 3.517 . 0 0 "[ . 1 . 2]" 1
1325 1 93 ASP HA 1 94 ALA HA 5.500 . 5.500 4.581 4.414 5.347 . 0 0 "[ . 1 . 2]" 1
1326 1 93 ASP QB 1 94 ALA H 3.460 . 3.460 2.778 2.022 3.385 . 0 0 "[ . 1 . 2]" 1
1327 1 93 ASP QB 1 94 ALA HA 5.340 . 5.340 4.143 3.853 4.775 . 0 0 "[ . 1 . 2]" 1
1328 1 94 ALA H 1 94 ALA HA 3.000 . 3.000 2.841 2.267 2.954 . 0 0 "[ . 1 . 2]" 1
1329 1 94 ALA H 1 95 TYR H . . 4.300 4.329 4.052 4.424 0.124 13 0 "[ . 1 . 2]" 1
1330 1 94 ALA HA 1 95 TYR H 2.200 . 2.200 2.217 2.150 2.263 0.063 9 0 "[ . 1 . 2]" 1
1331 1 95 TYR H 1 95 TYR HA 3.000 . 3.000 2.957 2.932 2.974 . 0 0 "[ . 1 . 2]" 1
1332 1 95 TYR H 1 96 ILE H . . 4.300 4.178 4.076 4.370 0.070 11 0 "[ . 1 . 2]" 1
1333 1 95 TYR HA 1 95 TYR QD 3.630 . 3.630 2.246 2.000 2.473 . 0 0 "[ . 1 . 2]" 1
1334 1 95 TYR HA 1 96 ILE H 2.200 . 2.200 2.159 2.130 2.180 . 0 0 "[ . 1 . 2]" 1
1335 1 95 TYR QB 1 96 ILE H 5.000 . 5.000 3.606 3.377 3.754 . 0 0 "[ . 1 . 2]" 1
1336 1 95 TYR QD 1 96 ILE H 3.810 . 3.810 3.245 3.043 3.525 . 0 0 "[ . 1 . 2]" 1
1337 1 95 TYR QE 1 96 ILE H 5.500 . 5.500 5.324 5.107 5.546 0.046 15 0 "[ . 1 . 2]" 1
1338 1 95 TYR QE 1 115 ILE MG 5.500 . 5.500 5.335 4.893 5.544 0.044 3 0 "[ . 1 . 2]" 1
1339 1 96 ILE H 1 96 ILE HA 3.000 . 3.000 2.903 2.878 2.928 . 0 0 "[ . 1 . 2]" 1
1340 1 96 ILE H 1 96 ILE MD 4.380 . 4.380 3.481 2.203 3.636 . 0 0 "[ . 1 . 2]" 1
1341 1 96 ILE H 1 96 ILE MG 4.250 . 4.250 3.768 3.752 3.793 . 0 0 "[ . 1 . 2]" 1
1342 1 96 ILE H 1 97 VAL H 4.300 . 4.300 4.300 4.181 4.347 0.047 1 0 "[ . 1 . 2]" 1
1343 1 96 ILE H 1 97 VAL HA 5.500 . 5.500 5.168 5.088 5.264 . 0 0 "[ . 1 . 2]" 1
1344 1 96 ILE HA 1 96 ILE MD 4.110 . 4.110 3.875 3.825 3.934 . 0 0 "[ . 1 . 2]" 1
1345 1 96 ILE HA 1 96 ILE MG 2.870 . 2.870 2.324 2.222 2.378 . 0 0 "[ . 1 . 2]" 1
1346 1 96 ILE HA 1 97 VAL H 2.200 . 2.200 2.186 2.161 2.209 0.009 9 0 "[ . 1 . 2]" 1
1347 1 96 ILE HB 1 96 ILE MD 3.380 . 3.380 2.290 2.114 2.395 . 0 0 "[ . 1 . 2]" 1
1348 1 96 ILE QG 1 97 VAL H 5.080 . 5.080 4.411 4.352 4.463 . 0 0 "[ . 1 . 2]" 1
1349 1 96 ILE MG 1 97 VAL H 3.690 . 3.690 3.116 2.986 3.301 . 0 0 "[ . 1 . 2]" 1
1350 1 96 ILE MG 1 98 GLU QG 4.100 . 4.100 3.578 3.193 3.965 . 0 0 "[ . 1 . 2]" 1
1351 1 97 VAL H 1 97 VAL HA 3.000 . 3.000 2.936 2.915 2.950 . 0 0 "[ . 1 . 2]" 1
1352 1 97 VAL H 1 98 GLU H . . 4.300 4.427 4.383 4.461 0.161 15 0 "[ . 1 . 2]" 1
1353 1 97 VAL HA 1 97 VAL QG 3.040 . 3.040 2.128 2.038 2.367 . 0 0 "[ . 1 . 2]" 1
1354 1 97 VAL HA 1 98 GLU H 2.200 . 2.200 2.174 2.127 2.242 0.042 15 0 "[ . 1 . 2]" 1
1355 1 97 VAL HB 1 108 ILE HB 5.500 . 5.500 5.148 4.636 5.713 0.213 2 0 "[ . 1 . 2]" 1
1356 1 97 VAL HB 1 108 ILE MG 3.440 . 3.440 2.990 2.535 3.307 . 0 0 "[ . 1 . 2]" 1
1357 1 97 VAL QG 1 98 GLU H 3.630 . 3.630 2.578 2.283 3.277 . 0 0 "[ . 1 . 2]" 1
1358 1 97 VAL QG 1 98 GLU HA 3.510 . 3.510 3.659 3.572 3.780 0.270 3 0 "[ . 1 . 2]" 1
1359 1 97 VAL QG 1 99 ALA HA 3.840 . 3.840 3.565 3.383 4.027 0.187 4 0 "[ . 1 . 2]" 1
1360 1 97 VAL QG 1 99 ALA MB 3.660 . 3.660 3.653 3.395 3.787 0.127 14 0 "[ . 1 . 2]" 1
1361 1 97 VAL QG 1 104 ASP QB 5.440 . 5.440 5.669 5.562 5.796 0.356 18 0 "[ . 1 . 2]" 1
1362 1 97 VAL QG 1 108 ILE MG 2.630 . 2.630 1.944 1.767 2.106 . 0 0 "[ . 1 . 2]" 1
1363 1 98 GLU H 1 98 GLU HA 3.000 . 3.000 2.945 2.935 2.957 . 0 0 "[ . 1 . 2]" 1
1364 1 98 GLU H 1 99 ALA H . . 4.300 4.229 4.194 4.264 . 0 0 "[ . 1 . 2]" 1
1365 1 98 GLU H 1 99 ALA MB 5.500 . 5.500 5.365 5.276 5.426 . 0 0 "[ . 1 . 2]" 1
1366 1 98 GLU HA 1 99 ALA H 2.200 . 2.200 2.160 2.134 2.192 . 0 0 "[ . 1 . 2]" 1
1367 1 98 GLU HA 1 99 ALA MB 4.080 . 4.080 4.008 3.962 4.046 . 0 0 "[ . 1 . 2]" 1
1368 1 98 GLU QB 1 99 ALA H 5.100 . 5.100 3.554 3.519 3.604 . 0 0 "[ . 1 . 2]" 1
1369 1 98 GLU QB 1 99 ALA HA 5.600 . 5.600 4.602 4.544 4.682 . 0 0 "[ . 1 . 2]" 1
1370 1 98 GLU QB 1 100 ASN H 5.500 . 5.500 5.556 5.466 5.649 0.149 17 0 "[ . 1 . 2]" 1
1371 1 99 ALA H 1 99 ALA HA 3.000 . 3.000 2.850 2.809 2.873 . 0 0 "[ . 1 . 2]" 1
1372 1 99 ALA H 1 100 ASN H 5.500 . 5.500 4.625 4.601 4.644 . 0 0 "[ . 1 . 2]" 1
1373 1 99 ALA H 1 101 ALA H 5.500 . 5.500 5.356 5.061 5.599 0.099 15 0 "[ . 1 . 2]" 1
1374 1 99 ALA H 1 104 ASP QB 5.500 . 5.500 5.129 4.923 5.381 . 0 0 "[ . 1 . 2]" 1
1375 1 99 ALA HA 1 100 ASN H 5.500 . 5.500 2.243 2.206 2.282 . 0 0 "[ . 1 . 2]" 1
1376 1 99 ALA HA 1 104 ASP QB 5.400 . 5.400 3.620 3.382 3.870 . 0 0 "[ . 1 . 2]" 1
1377 1 99 ALA HA 1 108 ILE HB 4.970 . 4.970 4.624 4.408 4.905 . 0 0 "[ . 1 . 2]" 1
1378 1 99 ALA HA 1 108 ILE MD 4.360 . 4.360 3.552 3.153 4.123 . 0 0 "[ . 1 . 2]" 1
1379 1 99 ALA MB 1 100 ASN H 5.500 . 5.500 2.811 2.632 2.942 . 0 0 "[ . 1 . 2]" 1
1380 1 99 ALA MB 1 101 ALA H 4.500 . 4.500 3.113 2.564 4.049 . 0 0 "[ . 1 . 2]" 1
1381 1 99 ALA MB 1 102 PRO HA 4.380 . 4.380 3.986 3.833 4.302 . 0 0 "[ . 1 . 2]" 1
1382 1 99 ALA MB 1 104 ASP H 3.880 . 3.880 3.421 3.250 3.596 . 0 0 "[ . 1 . 2]" 1
1383 1 99 ALA MB 1 104 ASP QB 3.290 . 3.290 2.101 1.947 2.328 . 0 0 "[ . 1 . 2]" 1
1384 1 99 ALA MB 1 105 VAL H 3.920 . 3.920 2.775 2.493 3.059 . 0 0 "[ . 1 . 2]" 1
1385 1 99 ALA MB 1 105 VAL HA 3.930 . 3.930 2.056 1.927 2.333 . 0 0 "[ . 1 . 2]" 1
1386 1 99 ALA MB 1 105 VAL HB 4.270 . 4.270 3.307 2.205 3.802 . 0 0 "[ . 1 . 2]" 1
1387 1 99 ALA MB 1 105 VAL QG 3.060 . 3.060 2.115 1.800 3.141 0.081 20 0 "[ . 1 . 2]" 1
1388 1 99 ALA MB 1 108 ILE H 4.250 . 4.250 3.936 3.511 4.327 0.077 11 0 "[ . 1 . 2]" 1
1389 1 99 ALA MB 1 108 ILE HA 5.500 . 5.500 5.169 4.742 5.602 0.102 11 0 "[ . 1 . 2]" 1
1390 1 99 ALA MB 1 108 ILE HB 3.610 . 3.610 3.179 2.656 3.455 . 0 0 "[ . 1 . 2]" 1
1391 1 99 ALA MB 1 108 ILE QG 4.300 . 4.300 2.298 1.932 2.809 . 0 0 "[ . 1 . 2]" 1
1392 1 100 ASN H 1 100 ASN QB 3.450 . 3.450 2.224 2.065 2.299 . 0 0 "[ . 1 . 2]" 1
1393 1 100 ASN H 1 101 ALA H 4.000 . 4.000 3.132 2.721 4.070 0.070 13 0 "[ . 1 . 2]" 1
1394 1 100 ASN H 1 108 ILE MD 5.500 . 5.500 4.034 3.534 4.644 . 0 0 "[ . 1 . 2]" 1
1395 1 100 ASN H 1 108 ILE QG 5.500 . 5.500 3.739 3.444 3.998 . 0 0 "[ . 1 . 2]" 1
1396 1 100 ASN H 1 108 ILE MG 5.500 . 5.500 5.527 5.330 5.709 0.209 12 0 "[ . 1 . 2]" 1
1397 1 100 ASN HA 1 101 ALA H 5.500 . 5.500 3.153 2.231 3.558 . 0 0 "[ . 1 . 2]" 1
1398 1 100 ASN QB 1 101 ALA H 4.700 . 4.700 3.067 2.534 4.004 . 0 0 "[ . 1 . 2]" 1
1399 1 100 ASN QB 1 101 ALA HA 5.240 . 5.240 4.710 4.284 5.439 0.199 18 0 "[ . 1 . 2]" 1
1400 1 100 ASN QB 1 101 ALA MB 5.200 . 5.200 3.403 3.036 4.005 . 0 0 "[ . 1 . 2]" 1
1401 1 100 ASN QD 1 101 ALA H 5.330 . 5.330 5.089 2.430 5.412 0.082 3 0 "[ . 1 . 2]" 1
1402 1 101 ALA H 1 102 PRO QD 5.500 . 5.500 4.216 3.828 4.369 . 0 0 "[ . 1 . 2]" 1
1403 1 101 ALA H 1 105 VAL H 5.500 . 5.500 4.883 4.204 5.808 0.308 7 0 "[ . 1 . 2]" 1
1404 1 101 ALA HA 1 102 PRO QB 5.700 . 5.700 4.765 4.671 4.836 . 0 0 "[ . 1 . 2]" 1
1405 1 101 ALA HA 1 102 PRO QG 5.400 . 5.400 3.942 3.801 4.114 . 0 0 "[ . 1 . 2]" 1
1406 1 101 ALA MB 1 102 PRO HA 4.350 . 4.350 4.424 4.371 4.497 0.147 7 0 "[ . 1 . 2]" 1
1407 1 101 ALA MB 1 102 PRO QB 5.600 . 5.600 4.295 4.003 4.521 . 0 0 "[ . 1 . 2]" 1
1408 1 101 ALA MB 1 102 PRO QD 3.900 . 3.900 2.094 1.985 2.316 . 0 0 "[ . 1 . 2]" 1
1409 1 101 ALA MB 1 102 PRO QG 4.900 . 4.900 3.717 3.342 4.076 . 0 0 "[ . 1 . 2]" 1
1410 1 101 ALA MB 1 103 ASN H 4.500 . 4.500 2.389 2.105 2.595 . 0 0 "[ . 1 . 2]" 1
1411 1 102 PRO HA 1 103 ASN QB 5.270 . 5.270 5.354 5.101 5.459 0.189 1 0 "[ . 1 . 2]" 1
1412 1 102 PRO HA 1 104 ASP H 3.810 . 3.810 3.795 3.692 3.851 0.041 2 0 "[ . 1 . 2]" 1
1413 1 102 PRO HA 1 104 ASP QB 5.500 . 5.500 5.015 4.915 5.111 . 0 0 "[ . 1 . 2]" 1
1414 1 102 PRO HA 1 105 VAL H 3.890 . 3.890 3.622 3.429 3.832 . 0 0 "[ . 1 . 2]" 1
1415 1 102 PRO HA 1 105 VAL HA 5.500 . 5.500 5.468 5.177 5.741 0.241 15 0 "[ . 1 . 2]" 1
1416 1 102 PRO HA 1 105 VAL HB 4.820 . 4.820 4.701 3.659 5.024 0.204 9 0 "[ . 1 . 2]" 1
1417 1 102 PRO HA 1 105 VAL QG 5.400 . 5.400 2.209 1.920 2.820 . 0 0 "[ . 1 . 2]" 1
1418 1 102 PRO QB 1 103 ASN QB 5.100 . 5.100 4.450 3.736 4.840 . 0 0 "[ . 1 . 2]" 1
1419 1 102 PRO QB 1 105 VAL QG 4.900 . 4.900 3.397 3.102 3.730 . 0 0 "[ . 1 . 2]" 1
1420 1 102 PRO QD 1 103 ASN QB 6.000 . 6.000 4.207 3.966 4.442 . 0 0 "[ . 1 . 2]" 1
1421 1 102 PRO QD 1 104 ASP H 5.300 . 5.300 4.380 4.269 4.542 . 0 0 "[ . 1 . 2]" 1
1422 1 102 PRO QD 1 105 VAL QG 4.850 . 4.850 4.408 4.132 5.035 0.185 14 0 "[ . 1 . 2]" 1
1423 1 102 PRO QG 1 103 ASN QB 5.500 . 5.500 4.773 3.512 5.504 0.004 7 0 "[ . 1 . 2]" 1
1424 1 102 PRO QG 1 104 ASP H 5.500 . 5.500 5.220 4.763 5.520 0.020 19 0 "[ . 1 . 2]" 1
1425 1 102 PRO QG 1 105 VAL QG 5.900 . 5.900 4.345 3.933 4.852 . 0 0 "[ . 1 . 2]" 1
1426 1 103 ASN H 1 104 ASP H 4.430 . 4.430 2.410 2.249 2.526 . 0 0 "[ . 1 . 2]" 1
1427 1 104 ASP H 1 105 VAL H . . 2.500 2.158 2.084 2.216 . 0 0 "[ . 1 . 2]" 1
1428 1 104 ASP H 1 106 LYS H . . 4.000 4.101 4.026 4.174 0.174 20 0 "[ . 1 . 2]" 1
1429 1 104 ASP H 1 106 LYS QD 5.500 . 5.500 5.269 3.786 5.869 0.369 17 0 "[ . 1 . 2]" 1
1430 1 104 ASP H 1 107 THR H 4.900 . 4.900 4.928 4.869 4.981 0.081 7 0 "[ . 1 . 2]" 1
1431 1 104 ASP HA 1 105 VAL H 3.500 . 3.500 3.418 3.371 3.455 . 0 0 "[ . 1 . 2]" 1
1432 1 104 ASP HA 1 105 VAL HA 5.300 . 5.300 4.874 4.841 4.924 . 0 0 "[ . 1 . 2]" 1
1433 1 104 ASP HA 1 106 LYS H . . 4.400 3.744 3.579 3.912 . 0 0 "[ . 1 . 2]" 1
1434 1 104 ASP HA 1 107 THR H . . 3.500 2.928 2.800 3.050 . 0 0 "[ . 1 . 2]" 1
1435 1 104 ASP HA 1 107 THR HA 5.500 . 5.500 5.039 4.919 5.179 . 0 0 "[ . 1 . 2]" 1
1436 1 104 ASP HA 1 107 THR HB 4.500 . 4.500 2.686 2.526 2.861 . 0 0 "[ . 1 . 2]" 1
1437 1 104 ASP HA 1 108 ILE H . . 4.400 4.045 3.898 4.171 . 0 0 "[ . 1 . 2]" 1
1438 1 104 ASP QB 1 106 LYS H 4.960 . 4.960 4.657 4.587 4.733 . 0 0 "[ . 1 . 2]" 1
1439 1 104 ASP QB 1 107 THR HB 4.640 . 4.640 3.398 3.129 3.657 . 0 0 "[ . 1 . 2]" 1
1440 1 104 ASP QB 1 108 ILE HA 5.500 . 5.500 5.441 5.278 5.551 0.051 14 0 "[ . 1 . 2]" 1
1441 1 104 ASP QB 1 108 ILE HB 5.270 . 5.270 4.693 4.503 4.943 . 0 0 "[ . 1 . 2]" 1
1442 1 104 ASP QB 1 108 ILE MD 3.920 . 3.920 3.563 3.328 3.811 . 0 0 "[ . 1 . 2]" 1
1443 1 104 ASP QB 1 108 ILE QG 4.800 . 4.800 2.721 2.568 2.846 . 0 0 "[ . 1 . 2]" 1
1444 1 104 ASP QB 1 108 ILE MG 5.200 . 5.200 5.060 4.918 5.181 . 0 0 "[ . 1 . 2]" 1
1445 1 105 VAL H 1 105 VAL HB 3.620 . 3.620 3.431 2.591 3.587 . 0 0 "[ . 1 . 2]" 1
1446 1 105 VAL H 1 106 LYS H . . 2.500 2.620 2.550 2.721 0.221 15 0 "[ . 1 . 2]" 1
1447 1 105 VAL H 1 106 LYS QB 5.200 . 5.200 4.755 4.277 5.105 . 0 0 "[ . 1 . 2]" 1
1448 1 105 VAL H 1 107 THR H 4.000 . 4.000 4.044 4.010 4.091 0.091 11 0 "[ . 1 . 2]" 1
1449 1 105 VAL H 1 108 ILE H 4.900 . 4.900 4.716 4.649 4.776 . 0 0 "[ . 1 . 2]" 1
1450 1 105 VAL HA 1 106 LYS H 3.500 . 3.500 3.487 3.466 3.503 0.003 9 0 "[ . 1 . 2]" 1
1451 1 105 VAL HA 1 106 LYS HA 5.500 . 5.500 4.718 4.682 4.746 . 0 0 "[ . 1 . 2]" 1
1452 1 105 VAL HA 1 107 THR H 4.400 . 4.400 4.304 4.238 4.400 . 0 0 "[ . 1 . 2]" 1
1453 1 105 VAL HA 1 107 THR HB 5.500 . 5.500 5.384 5.276 5.460 . 0 0 "[ . 1 . 2]" 1
1454 1 105 VAL HA 1 108 ILE H 3.500 . 3.500 3.526 3.438 3.575 0.075 12 0 "[ . 1 . 2]" 1
1455 1 105 VAL HA 1 108 ILE HA 5.500 . 5.500 5.541 5.388 5.612 0.112 15 0 "[ . 1 . 2]" 1
1456 1 105 VAL HA 1 108 ILE HB 3.810 . 3.810 2.807 2.598 2.965 . 0 0 "[ . 1 . 2]" 1
1457 1 105 VAL HA 1 108 ILE QG 6.000 . 6.000 3.251 3.002 3.452 . 0 0 "[ . 1 . 2]" 1
1458 1 105 VAL HA 1 108 ILE MG 4.390 . 4.390 4.161 3.965 4.338 . 0 0 "[ . 1 . 2]" 1
1459 1 105 VAL HA 1 109 ALA H 4.400 . 4.400 4.066 3.869 4.264 . 0 0 "[ . 1 . 2]" 1
1460 1 105 VAL HA 1 109 ALA MB 5.500 . 5.500 4.588 4.313 4.882 . 0 0 "[ . 1 . 2]" 1
1461 1 105 VAL HA 1 123 ASP QB 6.000 . 6.000 4.903 4.155 5.922 . 0 0 "[ . 1 . 2]" 1
1462 1 105 VAL HB 1 106 LYS H 4.100 . 4.100 3.932 3.798 4.143 0.043 15 0 "[ . 1 . 2]" 1
1463 1 105 VAL HB 1 108 ILE HB 5.500 . 5.500 4.813 4.582 5.079 . 0 0 "[ . 1 . 2]" 1
1464 1 105 VAL HB 1 109 ALA MB 5.280 . 5.280 4.804 4.470 5.627 0.347 14 0 "[ . 1 . 2]" 1
1465 1 105 VAL HB 1 123 ASP QB 5.500 . 5.500 3.383 2.344 4.832 . 0 0 "[ . 1 . 2]" 1
1466 1 105 VAL QG 1 106 LYS H 3.600 . 3.600 1.990 1.898 2.104 . 0 0 "[ . 1 . 2]" 1
1467 1 105 VAL QG 1 106 LYS HA 3.490 . 3.490 3.173 2.944 3.291 . 0 0 "[ . 1 . 2]" 1
1468 1 105 VAL QG 1 123 ASP HA 4.430 . 4.430 4.094 3.010 4.494 0.064 16 0 "[ . 1 . 2]" 1
1469 1 105 VAL QG 1 123 ASP QB 4.000 . 4.000 2.694 2.148 3.901 . 0 0 "[ . 1 . 2]" 1
1470 1 105 VAL QG 1 124 GLY QA 4.850 . 4.850 4.457 3.589 5.046 0.196 17 0 "[ . 1 . 2]" 1
1471 1 106 LYS H 1 106 LYS QB 2.860 . 2.860 2.493 2.111 2.800 . 0 0 "[ . 1 . 2]" 1
1472 1 106 LYS H 1 107 THR H . . 2.500 2.437 2.333 2.505 0.005 11 0 "[ . 1 . 2]" 1
1473 1 106 LYS H 1 107 THR HB 4.880 . 4.880 4.682 4.587 4.784 . 0 0 "[ . 1 . 2]" 1
1474 1 106 LYS H 1 108 ILE H 4.000 . 4.000 3.979 3.871 4.039 0.039 19 0 "[ . 1 . 2]" 1
1475 1 106 LYS H 1 109 ALA H 4.900 . 4.900 4.708 4.603 4.831 . 0 0 "[ . 1 . 2]" 1
1476 1 106 LYS HA 1 106 LYS QD 4.360 . 4.360 4.122 3.732 4.446 0.086 3 0 "[ . 1 . 2]" 1
1477 1 106 LYS HA 1 106 LYS QE 4.940 . 4.940 4.547 4.161 5.081 0.141 12 0 "[ . 1 . 2]" 1
1478 1 106 LYS HA 1 107 THR H 3.500 . 3.500 3.496 3.475 3.520 0.020 1 0 "[ . 1 . 2]" 1
1479 1 106 LYS HA 1 108 ILE H 4.400 . 4.400 4.401 4.362 4.438 0.038 11 0 "[ . 1 . 2]" 1
1480 1 106 LYS HA 1 109 ALA H 3.500 . 3.500 3.532 3.501 3.587 0.087 20 0 "[ . 1 . 2]" 1
1481 1 106 LYS HA 1 109 ALA MB 3.210 . 3.210 2.734 2.554 2.931 . 0 0 "[ . 1 . 2]" 1
1482 1 106 LYS HA 1 110 GLU H 4.400 . 4.400 4.155 3.950 4.298 . 0 0 "[ . 1 . 2]" 1
1483 1 106 LYS HA 1 123 ASP QB 6.000 . 6.000 3.928 3.352 4.703 . 0 0 "[ . 1 . 2]" 1
1484 1 106 LYS QB 1 106 LYS QD 2.490 . 2.490 2.148 1.997 2.258 . 0 0 "[ . 1 . 2]" 1
1485 1 106 LYS QB 1 107 THR H 3.260 . 3.260 3.194 2.744 3.486 0.226 19 0 "[ . 1 . 2]" 1
1486 1 106 LYS QB 1 107 THR HA 4.780 . 4.780 4.309 3.850 4.533 . 0 0 "[ . 1 . 2]" 1
1487 1 106 LYS QD 1 107 THR MG 5.500 . 5.500 4.985 3.647 5.749 0.249 2 0 "[ . 1 . 2]" 1
1488 1 106 LYS QE 1 107 THR HA 5.500 . 5.500 4.617 1.963 5.588 0.088 5 0 "[ . 1 . 2]" 1
1489 1 107 THR H 1 107 THR MG 3.980 . 3.980 3.755 3.742 3.769 . 0 0 "[ . 1 . 2]" 1
1490 1 107 THR H 1 108 ILE H . . 2.500 2.498 2.464 2.534 0.034 9 0 "[ . 1 . 2]" 1
1491 1 107 THR H 1 108 ILE MD 5.500 . 5.500 5.199 4.809 5.353 . 0 0 "[ . 1 . 2]" 1
1492 1 107 THR H 1 108 ILE QG 5.000 . 5.000 4.025 3.874 4.186 . 0 0 "[ . 1 . 2]" 1
1493 1 107 THR H 1 108 ILE MG 5.500 . 5.500 5.740 5.697 5.769 0.269 7 0 "[ . 1 . 2]" 1
1494 1 107 THR H 1 109 ALA H . . 4.000 3.996 3.938 4.037 0.037 12 0 "[ . 1 . 2]" 1
1495 1 107 THR H 1 110 GLU H 4.900 . 4.900 4.720 4.636 4.771 . 0 0 "[ . 1 . 2]" 1
1496 1 107 THR H 1 110 GLU QB 5.190 . 5.190 5.157 5.018 5.406 0.216 15 0 "[ . 1 . 2]" 1
1497 1 107 THR H 1 110 GLU QG 5.500 . 5.500 4.979 4.180 5.478 . 0 0 "[ . 1 . 2]" 1
1498 1 107 THR HA 1 107 THR MG 3.000 . 3.000 2.330 2.288 2.371 . 0 0 "[ . 1 . 2]" 1
1499 1 107 THR HA 1 108 ILE H 3.500 . 3.500 3.509 3.495 3.525 0.025 16 0 "[ . 1 . 2]" 1
1500 1 107 THR HA 1 108 ILE HA 5.110 . 5.110 4.753 4.710 4.780 . 0 0 "[ . 1 . 2]" 1
1501 1 107 THR HA 1 108 ILE MD 5.500 . 5.500 5.371 4.982 5.573 0.073 10 0 "[ . 1 . 2]" 1
1502 1 107 THR HA 1 109 ALA H 4.400 . 4.400 4.406 4.364 4.455 0.055 15 0 "[ . 1 . 2]" 1
1503 1 107 THR HA 1 110 GLU H 3.500 . 3.500 3.516 3.451 3.577 0.077 15 0 "[ . 1 . 2]" 1
1504 1 107 THR HA 1 110 GLU QB 4.500 . 4.500 2.997 2.682 3.747 . 0 0 "[ . 1 . 2]" 1
1505 1 107 THR HA 1 111 ASP H 4.400 . 4.400 4.121 3.869 4.359 . 0 0 "[ . 1 . 2]" 1
1506 1 107 THR HA 1 111 ASP QB 6.000 . 6.000 4.846 4.068 5.370 . 0 0 "[ . 1 . 2]" 1
1507 1 107 THR HB 1 108 ILE H 3.710 . 3.710 2.661 2.607 2.733 . 0 0 "[ . 1 . 2]" 1
1508 1 107 THR HB 1 108 ILE HA 5.050 . 5.050 4.268 4.231 4.312 . 0 0 "[ . 1 . 2]" 1
1509 1 107 THR HB 1 108 ILE HB 4.900 . 4.900 4.894 4.793 4.982 0.082 3 0 "[ . 1 . 2]" 1
1510 1 107 THR HB 1 108 ILE MD 3.980 . 3.980 3.853 3.365 4.078 0.098 17 0 "[ . 1 . 2]" 1
1511 1 107 THR HB 1 108 ILE QG 4.700 . 4.700 3.182 3.053 3.294 . 0 0 "[ . 1 . 2]" 1
1512 1 107 THR HB 1 108 ILE MG 5.500 . 5.500 5.445 5.366 5.516 0.016 1 0 "[ . 1 . 2]" 1
1513 1 107 THR MG 1 108 ILE HA 4.000 . 4.000 3.552 3.500 3.657 . 0 0 "[ . 1 . 2]" 1
1514 1 107 THR MG 1 108 ILE HB 5.500 . 5.500 5.280 5.178 5.352 . 0 0 "[ . 1 . 2]" 1
1515 1 107 THR MG 1 108 ILE MD 4.260 . 4.260 3.416 2.972 3.721 . 0 0 "[ . 1 . 2]" 1
1516 1 107 THR MG 1 108 ILE QG 6.000 . 6.000 3.858 3.733 4.055 . 0 0 "[ . 1 . 2]" 1
1517 1 107 THR MG 1 111 ASP QB 5.500 . 5.500 3.469 2.908 3.998 . 0 0 "[ . 1 . 2]" 1
1518 1 108 ILE H 1 108 ILE MG 3.860 . 3.860 3.728 3.700 3.750 . 0 0 "[ . 1 . 2]" 1
1519 1 108 ILE H 1 109 ALA H . . 2.500 2.567 2.533 2.604 0.104 19 0 "[ . 1 . 2]" 1
1520 1 108 ILE H 1 110 GLU H 4.000 . 4.000 4.047 4.011 4.069 0.069 10 0 "[ . 1 . 2]" 1
1521 1 108 ILE H 1 111 ASP H 4.900 . 4.900 4.638 4.512 4.736 . 0 0 "[ . 1 . 2]" 1
1522 1 108 ILE H 1 111 ASP QB 6.000 . 6.000 4.785 4.547 4.997 . 0 0 "[ . 1 . 2]" 1
1523 1 108 ILE HA 1 108 ILE MD 3.200 . 3.200 1.997 1.920 2.109 . 0 0 "[ . 1 . 2]" 1
1524 1 108 ILE HA 1 108 ILE QG 3.900 . 3.900 2.828 2.745 2.979 . 0 0 "[ . 1 . 2]" 1
1525 1 108 ILE HA 1 108 ILE MG 3.180 . 3.180 2.363 2.272 2.489 . 0 0 "[ . 1 . 2]" 1
1526 1 108 ILE HA 1 109 ALA H 3.500 . 3.500 3.515 3.505 3.536 0.036 20 0 "[ . 1 . 2]" 1
1527 1 108 ILE HA 1 110 GLU H 4.400 . 4.400 4.361 4.275 4.453 0.053 15 0 "[ . 1 . 2]" 1
1528 1 108 ILE HA 1 111 ASP H 3.500 . 3.500 3.399 3.310 3.469 . 0 0 "[ . 1 . 2]" 1
1529 1 108 ILE HA 1 111 ASP HA 5.500 . 5.500 5.377 5.241 5.476 . 0 0 "[ . 1 . 2]" 1
1530 1 108 ILE HA 1 111 ASP QB . . 4.500 2.584 2.421 2.777 . 0 0 "[ . 1 . 2]" 1
1531 1 108 ILE HA 1 112 ALA H 4.400 . 4.400 3.891 3.699 4.077 . 0 0 "[ . 1 . 2]" 1
1532 1 108 ILE HB 1 108 ILE MD 3.250 . 3.250 3.224 3.202 3.248 . 0 0 "[ . 1 . 2]" 1
1533 1 108 ILE MD 1 108 ILE MG 2.400 . 2.400 1.901 1.820 1.949 . 0 0 "[ . 1 . 2]" 1
1534 1 108 ILE MD 1 111 ASP H 5.080 . 5.080 4.842 4.726 4.977 . 0 0 "[ . 1 . 2]" 1
1535 1 108 ILE MD 1 111 ASP QB 5.100 . 5.100 3.420 3.274 3.555 . 0 0 "[ . 1 . 2]" 1
1536 1 108 ILE MD 1 112 ALA H 5.500 . 5.500 5.039 4.774 5.289 . 0 0 "[ . 1 . 2]" 1
1537 1 108 ILE QG 1 109 ALA H 5.500 . 5.500 4.018 3.913 4.100 . 0 0 "[ . 1 . 2]" 1
1538 1 108 ILE QG 1 110 GLU H 5.500 . 5.500 5.675 5.618 5.736 0.236 16 0 "[ . 1 . 2]" 1
1539 1 108 ILE MG 1 109 ALA H 3.570 . 3.570 3.415 3.302 3.550 . 0 0 "[ . 1 . 2]" 1
1540 1 108 ILE MG 1 109 ALA HA 4.160 . 4.160 3.412 3.277 3.592 . 0 0 "[ . 1 . 2]" 1
1541 1 108 ILE MG 1 111 ASP QB 5.800 . 5.800 3.659 3.446 3.813 . 0 0 "[ . 1 . 2]" 1
1542 1 108 ILE MG 1 112 ALA H 5.500 . 5.500 3.884 3.744 4.033 . 0 0 "[ . 1 . 2]" 1
1543 1 108 ILE MG 1 112 ALA MB 3.470 . 3.470 3.048 2.730 3.310 . 0 0 "[ . 1 . 2]" 1
1544 1 109 ALA H 1 110 GLU H . . 2.500 2.599 2.571 2.626 0.126 6 0 "[ . 1 . 2]" 1
1545 1 109 ALA H 1 111 ASP H 4.000 . 4.000 4.004 3.844 4.081 0.081 11 0 "[ . 1 . 2]" 1
1546 1 109 ALA H 1 112 ALA H . . 4.900 4.601 4.482 4.738 . 0 0 "[ . 1 . 2]" 1
1547 1 109 ALA HA 1 110 GLU H 3.500 . 3.500 3.517 3.500 3.527 0.027 4 0 "[ . 1 . 2]" 1
1548 1 109 ALA HA 1 111 ASP H 4.400 . 4.400 4.348 4.067 4.443 0.043 13 0 "[ . 1 . 2]" 1
1549 1 109 ALA HA 1 112 ALA H 3.500 . 3.500 3.470 3.388 3.551 0.051 3 0 "[ . 1 . 2]" 1
1550 1 109 ALA HA 1 112 ALA MB 4.500 . 4.500 2.577 2.318 2.883 . 0 0 "[ . 1 . 2]" 1
1551 1 109 ALA HA 1 113 LYS H 4.400 . 4.400 4.326 4.093 4.519 0.119 15 0 "[ . 1 . 2]" 1
1552 1 109 ALA HA 1 121 VAL HB 4.460 . 4.460 3.985 2.866 4.552 0.092 14 0 "[ . 1 . 2]" 1
1553 1 109 ALA HA 1 121 VAL QG 4.500 . 4.500 2.203 1.909 3.192 . 0 0 "[ . 1 . 2]" 1
1554 1 109 ALA HA 1 123 ASP QB 5.900 . 5.900 5.627 4.599 6.000 0.100 19 0 "[ . 1 . 2]" 1
1555 1 109 ALA MB 1 110 GLU H 5.500 . 5.500 2.557 2.490 2.634 . 0 0 "[ . 1 . 2]" 1
1556 1 109 ALA MB 1 121 VAL HB 3.480 . 3.480 3.079 2.291 3.834 0.354 18 0 "[ . 1 . 2]" 1
1557 1 109 ALA MB 1 121 VAL QG 2.690 . 2.690 2.113 1.771 2.801 0.111 3 0 "[ . 1 . 2]" 1
1558 1 109 ALA MB 1 123 ASP QB 4.400 . 4.400 3.187 2.348 3.493 . 0 0 "[ . 1 . 2]" 1
1559 1 110 GLU H 1 110 GLU QG 3.240 . 3.240 2.438 2.089 2.928 . 0 0 "[ . 1 . 2]" 1
1560 1 110 GLU H 1 111 ASP H . . 2.500 2.537 2.427 2.588 0.088 11 0 "[ . 1 . 2]" 1
1561 1 110 GLU H 1 112 ALA H . . 4.000 3.986 3.862 4.074 0.074 20 0 "[ . 1 . 2]" 1
1562 1 110 GLU H 1 113 LYS H 4.900 . 4.900 4.832 4.684 4.904 0.004 5 0 "[ . 1 . 2]" 1
1563 1 110 GLU HA 1 111 ASP H . . 3.500 3.496 3.431 3.518 0.018 12 0 "[ . 1 . 2]" 1
1564 1 110 GLU HA 1 112 ALA H 4.400 . 4.400 4.357 4.261 4.448 0.048 1 0 "[ . 1 . 2]" 1
1565 1 110 GLU HA 1 113 LYS H 3.500 . 3.500 3.549 3.470 3.615 0.115 17 0 "[ . 1 . 2]" 1
1566 1 110 GLU HA 1 113 LYS QB 4.500 . 4.500 3.006 2.605 3.252 . 0 0 "[ . 1 . 2]" 1
1567 1 110 GLU QB 1 111 ASP HA 4.810 . 4.810 4.171 3.904 4.709 . 0 0 "[ . 1 . 2]" 1
1568 1 111 ASP H 1 112 ALA H . . 2.500 2.484 2.320 2.547 0.047 9 0 "[ . 1 . 2]" 1
1569 1 111 ASP H 1 112 ALA MB 4.810 . 4.810 4.135 3.992 4.238 . 0 0 "[ . 1 . 2]" 1
1570 1 111 ASP H 1 113 LYS H . . 4.000 3.965 3.668 4.063 0.063 7 0 "[ . 1 . 2]" 1
1571 1 111 ASP HA 1 112 ALA H 3.500 . 3.500 3.509 3.493 3.525 0.025 20 0 "[ . 1 . 2]" 1
1572 1 111 ASP HA 1 113 LYS H 4.400 . 4.400 4.118 3.964 4.308 . 0 0 "[ . 1 . 2]" 1
1573 1 111 ASP QB 1 112 ALA H 5.500 . 5.500 2.663 2.562 2.752 . 0 0 "[ . 1 . 2]" 1
1574 1 111 ASP QB 1 112 ALA HA 5.800 . 5.800 3.971 3.877 4.080 . 0 0 "[ . 1 . 2]" 1
1575 1 111 ASP QB 1 115 ILE MD 6.000 . 6.000 4.317 3.745 5.133 . 0 0 "[ . 1 . 2]" 1
1576 1 112 ALA H 1 113 LYS H . . 2.500 2.580 2.502 2.624 0.124 8 0 "[ . 1 . 2]" 1
1577 1 112 ALA H 1 113 LYS QB 5.500 . 5.500 4.493 4.285 4.618 . 0 0 "[ . 1 . 2]" 1
1578 1 112 ALA H 1 113 LYS QD 5.500 . 5.500 5.340 4.802 5.681 0.181 15 0 "[ . 1 . 2]" 1
1579 1 112 ALA H 1 113 LYS QG 5.500 . 5.500 4.430 4.184 5.264 . 0 0 "[ . 1 . 2]" 1
1580 1 112 ALA H 1 114 LYS H 4.710 . 4.710 4.041 3.930 4.157 . 0 0 "[ . 1 . 2]" 1
1581 1 112 ALA HA 1 113 LYS H 3.500 . 3.500 3.492 3.436 3.515 0.015 7 0 "[ . 1 . 2]" 1
1582 1 112 ALA HA 1 115 ILE HB 4.730 . 4.730 3.437 2.075 4.292 . 0 0 "[ . 1 . 2]" 1
1583 1 112 ALA HA 1 115 ILE MD 3.250 . 3.250 2.592 1.981 3.316 0.066 9 0 "[ . 1 . 2]" 1
1584 1 112 ALA HA 1 115 ILE QG 3.910 . 3.910 2.200 1.865 3.251 . 0 0 "[ . 1 . 2]" 1
1585 1 112 ALA MB 1 113 LYS H 3.400 . 3.400 2.769 2.617 2.988 . 0 0 "[ . 1 . 2]" 1
1586 1 112 ALA MB 1 113 LYS HA 4.050 . 4.050 3.822 3.749 3.900 . 0 0 "[ . 1 . 2]" 1
1587 1 112 ALA MB 1 115 ILE HB 4.920 . 4.920 4.002 3.337 4.797 . 0 0 "[ . 1 . 2]" 1
1588 1 112 ALA MB 1 115 ILE MD 4.120 . 4.120 3.446 2.550 4.258 0.138 16 0 "[ . 1 . 2]" 1
1589 1 112 ALA MB 1 115 ILE QG 5.900 . 5.900 3.427 2.817 4.438 . 0 0 "[ . 1 . 2]" 1
1590 1 112 ALA MB 1 115 ILE MG 4.950 . 4.950 4.523 3.677 4.869 . 0 0 "[ . 1 . 2]" 1
1591 1 113 LYS H 1 113 LYS QG 3.400 . 3.400 2.484 2.206 3.142 . 0 0 "[ . 1 . 2]" 1
1592 1 113 LYS H 1 114 LYS H 2.500 . 2.500 2.622 2.544 2.657 0.157 10 0 "[ . 1 . 2]" 1
1593 1 113 LYS H 1 114 LYS QE 4.870 . 4.870 4.850 4.466 5.074 0.204 5 0 "[ . 1 . 2]" 1
1594 1 113 LYS HA 1 114 LYS H 3.500 . 3.500 3.420 3.379 3.462 . 0 0 "[ . 1 . 2]" 1
1595 1 113 LYS HA 1 118 VAL QG 3.220 . 3.220 2.140 1.804 2.936 . 0 0 "[ . 1 . 2]" 1
1596 1 113 LYS QD 1 114 LYS H 5.500 . 5.500 4.989 4.342 5.284 . 0 0 "[ . 1 . 2]" 1
1597 1 113 LYS QE 1 121 VAL HB 5.000 . 5.000 3.422 1.965 5.135 0.135 3 0 "[ . 1 . 2]" 1
1598 1 113 LYS QE 1 121 VAL QG 5.300 . 5.300 2.882 1.871 4.174 . 0 0 "[ . 1 . 2]" 1
1599 1 113 LYS QG 1 114 LYS H 5.500 . 5.500 4.065 2.508 4.547 . 0 0 "[ . 1 . 2]" 1
1600 1 113 LYS QG 1 121 VAL QG 5.700 . 5.700 2.335 1.800 4.244 . 0 0 "[ . 1 . 2]" 1
1601 1 114 LYS H 1 114 LYS QG 3.480 . 3.480 2.695 2.205 3.287 . 0 0 "[ . 1 . 2]" 1
1602 1 114 LYS H 1 115 ILE H 3.390 . 3.390 2.393 2.178 2.501 . 0 0 "[ . 1 . 2]" 1
1603 1 114 LYS H 1 115 ILE MD 5.500 . 5.500 4.647 4.212 5.097 . 0 0 "[ . 1 . 2]" 1
1604 1 114 LYS H 1 115 ILE QG 5.500 . 5.500 3.486 3.049 4.614 . 0 0 "[ . 1 . 2]" 1
1605 1 114 LYS H 1 115 ILE MG 5.500 . 5.500 5.526 5.145 5.628 0.128 15 0 "[ . 1 . 2]" 1
1606 1 114 LYS HA 1 114 LYS QE 4.940 . 4.940 4.447 3.473 5.141 0.201 1 0 "[ . 1 . 2]" 1
1607 1 114 LYS HA 1 114 LYS QG 3.340 . 3.340 2.551 2.079 3.216 . 0 0 "[ . 1 . 2]" 1
1608 1 114 LYS HA 1 115 ILE H 5.500 . 5.500 3.268 3.193 3.413 . 0 0 "[ . 1 . 2]" 1
1609 1 114 LYS HA 1 115 ILE HA 5.500 . 5.500 4.739 4.640 4.880 . 0 0 "[ . 1 . 2]" 1
1610 1 114 LYS QB 1 114 LYS QE 4.420 . 4.420 2.829 2.004 3.767 . 0 0 "[ . 1 . 2]" 1
1611 1 115 ILE H 1 116 GLU H 4.630 . 4.630 3.926 2.697 4.541 . 0 0 "[ . 1 . 2]" 1
1612 1 115 ILE H 1 116 GLU QG 5.500 . 5.500 5.468 4.299 5.804 0.304 15 0 "[ . 1 . 2]" 1
1613 1 115 ILE HA 1 115 ILE MD 3.860 . 3.860 2.819 1.992 3.825 . 0 0 "[ . 1 . 2]" 1
1614 1 115 ILE HA 1 115 ILE MG 3.040 . 3.040 2.406 2.214 2.883 . 0 0 "[ . 1 . 2]" 1
1615 1 115 ILE HA 1 116 GLU H 4.000 . 4.000 2.696 2.110 3.573 . 0 0 "[ . 1 . 2]" 1
1616 1 115 ILE HA 1 116 GLU QG 4.580 . 4.580 3.700 3.278 4.581 0.001 17 0 "[ . 1 . 2]" 1
1617 1 115 ILE HB 1 115 ILE MD 3.290 . 3.290 2.777 2.221 3.212 . 0 0 "[ . 1 . 2]" 1
1618 1 115 ILE HB 1 116 GLU QG 5.500 . 5.500 4.747 3.720 5.735 0.235 7 0 "[ . 1 . 2]" 1
1619 1 115 ILE MD 1 115 ILE MG 2.720 . 2.720 1.933 1.820 2.028 . 0 0 "[ . 1 . 2]" 1
1620 1 115 ILE QG 1 115 ILE MG 3.330 . 3.330 2.348 2.258 2.433 . 0 0 "[ . 1 . 2]" 1
1621 1 115 ILE MG 1 116 GLU H 4.000 . 4.000 2.587 2.064 3.544 . 0 0 "[ . 1 . 2]" 1
1622 1 115 ILE MG 1 116 GLU HA 4.120 . 4.120 4.044 3.573 4.578 0.458 4 0 "[ . 1 . 2]" 1
1623 1 115 ILE MG 1 116 GLU QB 5.300 . 5.300 2.947 2.184 4.335 . 0 0 "[ . 1 . 2]" 1
1624 1 115 ILE MG 1 116 GLU QG 4.000 . 4.000 2.789 1.933 4.024 0.024 18 0 "[ . 1 . 2]" 1
1625 1 116 GLU H 1 116 GLU QB 3.500 . 3.500 2.929 2.446 3.479 . 0 0 "[ . 1 . 2]" 1
1626 1 116 GLU H 1 116 GLU QG 3.620 . 3.620 2.651 1.841 3.922 0.302 17 0 "[ . 1 . 2]" 1
1627 1 116 GLU HA 1 116 GLU QG 3.040 . 3.040 2.694 2.033 3.272 0.232 15 0 "[ . 1 . 2]" 1
1628 1 116 GLU HA 1 117 GLY H 4.000 . 4.000 3.003 2.156 3.557 . 0 0 "[ . 1 . 2]" 1
1629 1 116 GLU HA 1 118 VAL H 5.500 . 5.500 4.346 3.149 5.658 0.158 6 0 "[ . 1 . 2]" 1
1630 1 116 GLU QB 1 117 GLY H 4.300 . 4.300 2.242 1.755 3.123 . 0 0 "[ . 1 . 2]" 1
1631 1 116 GLU QB 1 118 VAL H 5.500 . 5.500 4.171 3.209 4.689 . 0 0 "[ . 1 . 2]" 1
1632 1 117 GLY H 1 118 VAL H 3.370 . 3.370 2.864 2.455 3.494 0.124 1 0 "[ . 1 . 2]" 1
1633 1 117 GLY H 1 118 VAL QG 4.630 . 4.630 3.999 3.179 4.727 0.097 14 0 "[ . 1 . 2]" 1
1634 1 117 GLY QA 1 118 VAL H 5.000 . 5.000 2.702 2.301 2.951 . 0 0 "[ . 1 . 2]" 1
1635 1 118 VAL H 1 118 VAL QG 2.930 . 2.930 2.148 1.787 2.764 . 0 0 "[ . 1 . 2]" 1
1636 1 118 VAL HA 1 118 VAL QG 3.040 . 3.040 2.201 2.037 2.447 . 0 0 "[ . 1 . 2]" 1
1637 1 118 VAL HA 1 119 SER H 5.500 . 5.500 2.212 2.155 2.406 . 0 0 "[ . 1 . 2]" 1
1638 1 118 VAL HA 1 119 SER QB 5.340 . 5.340 4.183 3.969 4.442 . 0 0 "[ . 1 . 2]" 1
1639 1 118 VAL HA 1 120 GLU H 5.500 . 5.500 4.079 3.762 4.601 . 0 0 "[ . 1 . 2]" 1
1640 1 118 VAL QG 1 119 SER H 3.330 . 3.330 2.692 2.048 3.407 0.077 6 0 "[ . 1 . 2]" 1
1641 1 118 VAL QG 1 119 SER HA 6.000 . 6.000 3.745 3.320 4.231 . 0 0 "[ . 1 . 2]" 1
1642 1 118 VAL QG 1 119 SER QB 4.640 . 4.640 4.047 3.580 4.640 . 0 0 "[ . 1 . 2]" 1
1643 1 118 VAL QG 1 120 GLU H 3.190 . 3.190 2.637 1.999 3.252 0.062 12 0 "[ . 1 . 2]" 1
1644 1 118 VAL QG 1 120 GLU HA 3.900 . 3.900 3.291 2.971 3.582 . 0 0 "[ . 1 . 2]" 1
1645 1 118 VAL QG 1 121 VAL QG 2.690 . 2.690 2.124 1.772 2.999 0.309 18 0 "[ . 1 . 2]" 1
1646 1 119 SER H 1 119 SER QB 3.640 . 3.640 2.428 2.236 2.810 . 0 0 "[ . 1 . 2]" 1
1647 1 119 SER H 1 120 GLU H 3.410 . 3.410 2.415 2.093 2.754 . 0 0 "[ . 1 . 2]" 1
1648 1 119 SER H 1 120 GLU QB 6.000 . 6.000 4.790 4.561 5.126 . 0 0 "[ . 1 . 2]" 1
1649 1 119 SER QB 1 120 GLU H 4.190 . 4.190 2.798 2.246 3.502 . 0 0 "[ . 1 . 2]" 1
1650 1 119 SER QB 1 120 GLU HA 5.260 . 5.260 4.715 4.492 4.981 . 0 0 "[ . 1 . 2]" 1
1651 1 119 SER QB 1 120 GLU QB 5.800 . 5.800 3.569 3.261 4.323 . 0 0 "[ . 1 . 2]" 1
1652 1 119 SER QB 1 120 GLU QG 5.340 . 5.340 5.235 2.767 5.498 0.158 3 0 "[ . 1 . 2]" 1
1653 1 120 GLU H 1 120 GLU HA 3.000 . 3.000 2.886 2.844 2.929 . 0 0 "[ . 1 . 2]" 1
1654 1 120 GLU H 1 121 VAL H . . 4.300 4.313 4.279 4.358 0.058 2 0 "[ . 1 . 2]" 1
1655 1 120 GLU HA 1 120 GLU QG 3.490 . 3.490 2.348 2.022 2.958 . 0 0 "[ . 1 . 2]" 1
1656 1 120 GLU HA 1 121 VAL H 2.200 . 2.200 2.291 2.222 2.365 0.165 6 0 "[ . 1 . 2]" 1
1657 1 120 GLU HA 1 121 VAL QG 3.450 . 3.450 3.232 2.877 3.494 0.044 11 0 "[ . 1 . 2]" 1
1658 1 120 GLU QG 1 121 VAL QG 4.320 . 4.320 3.821 3.227 4.441 0.121 19 0 "[ . 1 . 2]" 1
1659 1 121 VAL H 1 121 VAL HA 3.000 . 3.000 2.953 2.942 2.965 . 0 0 "[ . 1 . 2]" 1
1660 1 121 VAL H 1 121 VAL HB 3.500 . 3.500 2.973 2.546 3.778 0.278 13 0 "[ . 1 . 2]" 1
1661 1 121 VAL H 1 122 GLN H . . 4.300 4.366 4.190 4.429 0.129 12 0 "[ . 1 . 2]" 1
1662 1 121 VAL HA 1 122 GLN H 2.200 . 2.200 2.180 2.120 2.230 0.030 3 0 "[ . 1 . 2]" 1
1663 1 121 VAL HA 1 122 GLN QG 5.500 . 5.500 5.000 3.561 5.738 0.238 17 0 "[ . 1 . 2]" 1
1664 1 121 VAL QG 1 122 GLN H 4.000 . 4.000 2.647 2.132 3.432 . 0 0 "[ . 1 . 2]" 1
1665 1 122 GLN H 1 122 GLN HA 3.000 . 3.000 2.944 2.931 2.955 . 0 0 "[ . 1 . 2]" 1
1666 1 122 GLN H 1 123 ASP H . . 4.300 4.300 4.126 4.376 0.076 5 0 "[ . 1 . 2]" 1
1667 1 122 GLN HA 1 122 GLN QG 3.380 . 3.380 2.913 2.586 3.373 . 0 0 "[ . 1 . 2]" 1
1668 1 122 GLN HA 1 123 ASP H 2.200 . 2.200 2.173 2.142 2.230 0.030 12 0 "[ . 1 . 2]" 1
1669 1 122 GLN QB 1 123 ASP H 5.500 . 5.500 3.463 2.731 3.864 . 0 0 "[ . 1 . 2]" 1
1670 1 122 GLN QG 1 124 GLY QA 6.000 . 6.000 4.298 3.382 5.543 . 0 0 "[ . 1 . 2]" 1
1671 1 123 ASP H 1 123 ASP HA 3.000 . 3.000 2.920 2.881 2.963 . 0 0 "[ . 1 . 2]" 1
1672 1 123 ASP H 1 123 ASP QB 3.800 . 3.800 2.625 2.194 3.101 . 0 0 "[ . 1 . 2]" 1
1673 1 123 ASP H 1 124 GLY H 4.530 . 4.530 4.480 4.167 4.584 0.054 11 0 "[ . 1 . 2]" 1
1674 1 123 ASP H 1 124 GLY QA 5.340 . 5.340 5.045 4.732 5.315 . 0 0 "[ . 1 . 2]" 1
1675 1 123 ASP HA 1 124 GLY QA 6.000 . 6.000 3.956 3.905 4.033 . 0 0 "[ . 1 . 2]" 1
1676 1 123 ASP QB 1 124 GLY QA 5.300 . 5.300 4.064 3.753 4.656 . 0 0 "[ . 1 . 2]" 1
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