NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
440808 |
2k9k   |
15988 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k9k
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 1493
_Distance_constraint_stats_list.Viol_count 1653
_Distance_constraint_stats_list.Viol_total 1678.277
_Distance_constraint_stats_list.Viol_max 0.604
_Distance_constraint_stats_list.Viol_rms 0.0216
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0508
_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 ASN 0.013 0.007 14 0 "[ . 1 . 2]"
1 17 GLN 0.334 0.302 20 0 "[ . 1 . 2]"
1 18 GLN 0.838 0.411 7 0 "[ . 1 . 2]"
1 19 ALA 2.545 0.411 7 0 "[ . 1 . 2]"
1 20 MET 1.236 0.104 7 0 "[ . 1 . 2]"
1 21 PRO 3.756 0.105 20 0 "[ . 1 . 2]"
1 22 LEU 2.134 0.067 18 0 "[ . 1 . 2]"
1 23 TYR 4.075 0.155 3 0 "[ . 1 . 2]"
1 24 ARG 12.093 0.604 16 20 [********-******+****]
1 25 VAL 0.882 0.222 2 0 "[ . 1 . 2]"
1 26 GLU 1.661 0.430 20 0 "[ . 1 . 2]"
1 27 PRO 0.440 0.069 1 0 "[ . 1 . 2]"
1 28 VAL 7.086 0.329 16 0 "[ . 1 . 2]"
1 29 TYR 1.348 0.152 16 0 "[ . 1 . 2]"
1 30 PRO 0.799 0.120 17 0 "[ . 1 . 2]"
1 31 SER 0.518 0.145 13 0 "[ . 1 . 2]"
1 32 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ALA 3.084 0.284 9 0 "[ . 1 . 2]"
1 34 LEU 1.122 0.152 16 0 "[ . 1 . 2]"
1 35 LYS 0.710 0.119 18 0 "[ . 1 . 2]"
1 36 ARG 0.402 0.064 16 0 "[ . 1 . 2]"
1 37 GLY 0.690 0.079 17 0 "[ . 1 . 2]"
1 38 VAL 4.092 0.284 9 0 "[ . 1 . 2]"
1 39 GLU 0.396 0.062 20 0 "[ . 1 . 2]"
1 40 GLY 5.506 0.312 14 0 "[ . 1 . 2]"
1 41 PHE 1.561 0.197 8 0 "[ . 1 . 2]"
1 42 VAL 1.763 0.144 7 0 "[ . 1 . 2]"
1 43 THR 0.639 0.134 18 0 "[ . 1 . 2]"
1 44 LEU 9.140 0.392 19 0 "[ . 1 . 2]"
1 45 SER 1.705 0.175 3 0 "[ . 1 . 2]"
1 46 PHE 2.863 0.087 8 0 "[ . 1 . 2]"
1 47 THR 0.800 0.085 19 0 "[ . 1 . 2]"
1 48 ILE 3.015 0.126 6 0 "[ . 1 . 2]"
1 49 ASP 0.088 0.023 1 0 "[ . 1 . 2]"
1 50 THR 0.805 0.384 12 0 "[ . 1 . 2]"
1 51 THR 0.752 0.384 12 0 "[ . 1 . 2]"
1 52 GLY 0.207 0.039 6 0 "[ . 1 . 2]"
1 53 LYS 1.022 0.217 10 0 "[ . 1 . 2]"
1 54 ALA 0.713 0.058 7 0 "[ . 1 . 2]"
1 55 VAL 0.332 0.037 19 0 "[ . 1 . 2]"
1 56 ASP 0.370 0.072 17 0 "[ . 1 . 2]"
1 57 ILE 4.252 0.117 15 0 "[ . 1 . 2]"
1 58 ASN 0.941 0.205 16 0 "[ . 1 . 2]"
1 59 VAL 5.709 0.392 19 0 "[ . 1 . 2]"
1 60 VAL 0.458 0.050 8 0 "[ . 1 . 2]"
1 61 ASP 0.610 0.099 18 0 "[ . 1 . 2]"
1 62 ALA 0.894 0.129 14 0 "[ . 1 . 2]"
1 63 ASN 3.867 0.312 14 0 "[ . 1 . 2]"
1 64 PRO 0.376 0.146 7 0 "[ . 1 . 2]"
1 65 LYS 0.496 0.421 7 0 "[ . 1 . 2]"
1 66 ARG 1.466 0.421 7 0 "[ . 1 . 2]"
1 67 MET 4.785 0.211 11 0 "[ . 1 . 2]"
1 68 PHE 3.501 0.197 8 0 "[ . 1 . 2]"
1 69 GLU 1.817 0.153 7 0 "[ . 1 . 2]"
1 70 ARG 1.636 0.144 7 0 "[ . 1 . 2]"
1 71 GLU 2.939 0.196 1 0 "[ . 1 . 2]"
1 72 ALA 2.469 0.149 15 0 "[ . 1 . 2]"
1 73 MET 1.351 0.124 18 0 "[ . 1 . 2]"
1 74 GLN 0.064 0.025 3 0 "[ . 1 . 2]"
1 75 ALA 0.349 0.047 4 0 "[ . 1 . 2]"
1 76 LEU 4.651 0.216 11 0 "[ . 1 . 2]"
1 77 LYS 0.382 0.275 16 0 "[ . 1 . 2]"
1 78 LYS 0.583 0.193 9 0 "[ . 1 . 2]"
1 79 TRP 19.276 0.604 16 20 [********-******+****]
1 80 LYS 2.857 0.137 16 0 "[ . 1 . 2]"
1 81 TYR 2.739 0.137 16 0 "[ . 1 . 2]"
1 82 GLN 0.541 0.091 9 0 "[ . 1 . 2]"
1 83 PRO 0.880 0.153 6 0 "[ . 1 . 2]"
1 84 GLN 0.672 0.079 16 0 "[ . 1 . 2]"
1 85 ILE 1.011 0.064 9 0 "[ . 1 . 2]"
1 86 VAL 0.115 0.027 6 0 "[ . 1 . 2]"
1 87 ASP 0.010 0.010 18 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LYS 0.161 0.156 1 0 "[ . 1 . 2]"
1 90 ALA 0.318 0.041 11 0 "[ . 1 . 2]"
1 91 ILE 0.876 0.153 6 0 "[ . 1 . 2]"
1 92 GLU 0.462 0.061 12 0 "[ . 1 . 2]"
1 93 GLN 0.533 0.126 6 0 "[ . 1 . 2]"
1 94 PRO 0.332 0.077 11 0 "[ . 1 . 2]"
1 95 GLY 0.305 0.072 9 0 "[ . 1 . 2]"
1 96 GLN 2.234 0.114 12 0 "[ . 1 . 2]"
1 97 THR 0.429 0.051 15 0 "[ . 1 . 2]"
1 98 VAL 1.012 0.079 18 0 "[ . 1 . 2]"
1 99 THR 0.249 0.134 18 0 "[ . 1 . 2]"
1 100 VAL 0.685 0.201 3 0 "[ . 1 . 2]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 PHE 1.727 0.134 1 0 "[ . 1 . 2]"
1 103 LYS 0.171 0.036 15 0 "[ . 1 . 2]"
1 104 ILE 0.777 0.063 15 0 "[ . 1 . 2]"
1 105 ALA 0.020 0.017 1 0 "[ . 1 . 2]"
1 106 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 65 LYS H 1 66 ARG H . . 5.500 4.040 2.036 4.444 . 0 0 "[ . 1 . 2]" 1
2 1 65 LYS HA 1 66 ARG H . . 3.110 2.613 2.221 3.531 0.421 7 0 "[ . 1 . 2]" 1
3 1 65 LYS HB2 1 66 ARG H . . 5.220 3.762 2.717 4.664 . 0 0 "[ . 1 . 2]" 1
4 1 65 LYS HB3 1 66 ARG H . . 5.220 2.756 1.925 4.298 . 0 0 "[ . 1 . 2]" 1
5 1 76 LEU H 1 79 TRP HE1 . . 5.500 5.442 5.249 5.557 0.057 10 0 "[ . 1 . 2]" 1
6 1 27 PRO HA 1 79 TRP HE1 . . 5.100 3.419 3.047 3.802 . 0 0 "[ . 1 . 2]" 1
7 1 75 ALA HA 1 79 TRP HE1 . . 4.480 3.997 3.858 4.224 . 0 0 "[ . 1 . 2]" 1
8 1 24 ARG HA 1 79 TRP HE1 . . 4.020 4.576 4.538 4.624 0.604 16 20 [********-******+****] 1
9 1 76 LEU HA 1 79 TRP HE1 . . 5.500 5.194 5.029 5.372 . 0 0 "[ . 1 . 2]" 1
10 1 28 VAL HB 1 79 TRP HE1 . . 4.130 4.349 4.258 4.459 0.329 16 0 "[ . 1 . 2]" 1
11 1 75 ALA MB 1 79 TRP HE1 . . 3.660 2.513 2.417 2.662 . 0 0 "[ . 1 . 2]" 1
12 1 28 VAL MG1 1 79 TRP HE1 . . 4.770 4.703 4.330 4.814 0.044 8 0 "[ . 1 . 2]" 1
13 1 24 ARG HB2 1 79 TRP HE1 . . 5.120 3.068 2.852 3.291 . 0 0 "[ . 1 . 2]" 1
14 1 24 ARG HB3 1 79 TRP HE1 . . 5.190 2.109 1.935 2.274 . 0 0 "[ . 1 . 2]" 1
15 1 24 ARG HG3 1 79 TRP HE1 . . 5.500 3.971 3.386 4.792 . 0 0 "[ . 1 . 2]" 1
16 1 24 ARG HG2 1 79 TRP HE1 . . 5.500 2.599 1.924 3.597 . 0 0 "[ . 1 . 2]" 1
17 1 68 PHE QD 1 69 GLU H . . 5.500 4.190 3.371 4.595 . 0 0 "[ . 1 . 2]" 1
18 1 62 ALA MB 1 69 GLU H . . 4.670 3.940 3.368 4.388 . 0 0 "[ . 1 . 2]" 1
19 1 42 VAL H 1 43 THR H . . 5.500 4.201 4.045 4.501 . 0 0 "[ . 1 . 2]" 1
20 1 43 THR H 1 60 VAL H . . 5.400 5.055 4.821 5.163 . 0 0 "[ . 1 . 2]" 1
21 1 41 PHE QD 1 43 THR H . . 4.240 3.625 3.068 4.245 0.005 8 0 "[ . 1 . 2]" 1
22 1 42 VAL HA 1 43 THR H . . 3.280 2.154 2.139 2.202 . 0 0 "[ . 1 . 2]" 1
23 1 43 THR H 1 43 THR HB . . 3.690 2.900 2.667 3.011 . 0 0 "[ . 1 . 2]" 1
24 1 43 THR H 1 61 ASP HB3 . . 5.500 4.743 4.335 5.097 . 0 0 "[ . 1 . 2]" 1
25 1 42 VAL HB 1 43 THR H . . 5.500 4.013 3.032 4.474 . 0 0 "[ . 1 . 2]" 1
26 1 43 THR H 1 62 ALA MB . . 4.160 2.319 1.891 3.252 . 0 0 "[ . 1 . 2]" 1
27 1 43 THR H 1 44 LEU MD1 . . 3.310 3.030 2.879 3.185 . 0 0 "[ . 1 . 2]" 1
28 1 103 LYS H 1 104 ILE H . . 4.530 4.348 3.868 4.566 0.036 15 0 "[ . 1 . 2]" 1
29 1 103 LYS HA 1 104 ILE H . . 3.200 2.176 2.140 2.412 . 0 0 "[ . 1 . 2]" 1
30 1 39 GLU HG2 1 104 ILE H . . 4.260 2.054 1.944 2.681 . 0 0 "[ . 1 . 2]" 1
31 1 39 GLU HG3 1 104 ILE H . . 4.260 3.004 1.973 3.655 . 0 0 "[ . 1 . 2]" 1
32 1 104 ILE H 1 104 ILE HG12 . . 3.010 2.171 1.946 2.627 . 0 0 "[ . 1 . 2]" 1
33 1 103 LYS HG2 1 104 ILE H . . 5.500 4.509 2.616 5.525 0.025 20 0 "[ . 1 . 2]" 1
34 1 103 LYS HG3 1 104 ILE H . . 5.500 4.484 2.596 5.326 . 0 0 "[ . 1 . 2]" 1
35 1 104 ILE H 1 104 ILE MD . . 3.510 3.092 2.720 3.418 . 0 0 "[ . 1 . 2]" 1
36 1 44 LEU H 1 45 SER H . . 4.710 4.424 4.371 4.468 . 0 0 "[ . 1 . 2]" 1
37 1 44 LEU H 1 99 THR HA . . 4.340 4.028 3.244 4.212 . 0 0 "[ . 1 . 2]" 1
38 1 43 THR HB 1 44 LEU H . . 4.870 4.262 4.195 4.419 . 0 0 "[ . 1 . 2]" 1
39 1 44 LEU H 1 97 THR HB . . 5.180 4.906 4.473 5.183 0.003 18 0 "[ . 1 . 2]" 1
40 1 43 THR MG 1 44 LEU H . . 3.790 3.148 2.926 3.249 . 0 0 "[ . 1 . 2]" 1
41 1 44 LEU H 1 44 LEU MD2 . . 4.570 4.219 4.123 4.389 . 0 0 "[ . 1 . 2]" 1
42 1 54 ALA HA 1 55 VAL H . . 3.160 2.159 2.141 2.213 . 0 0 "[ . 1 . 2]" 1
43 1 48 ILE HA 1 55 VAL H . . 4.250 3.734 3.094 4.046 . 0 0 "[ . 1 . 2]" 1
44 1 47 THR HB 1 55 VAL H . . 5.500 5.092 4.729 5.294 . 0 0 "[ . 1 . 2]" 1
45 1 46 PHE HB3 1 55 VAL H . . 5.500 5.483 5.060 5.537 0.037 19 0 "[ . 1 . 2]" 1
46 1 46 PHE HB2 1 55 VAL H . . 4.680 3.771 3.341 3.837 . 0 0 "[ . 1 . 2]" 1
47 1 49 ASP H 1 54 ALA HA . . 4.190 3.487 3.048 3.737 . 0 0 "[ . 1 . 2]" 1
48 1 48 ILE HA 1 49 ASP H . . 3.150 2.171 2.142 2.179 . 0 0 "[ . 1 . 2]" 1
49 1 49 ASP H 1 53 LYS HB2 . . 5.500 5.009 4.703 5.357 . 0 0 "[ . 1 . 2]" 1
50 1 49 ASP H 1 53 LYS HB3 . . 5.500 3.592 3.208 5.376 . 0 0 "[ . 1 . 2]" 1
51 1 41 PHE HA 1 100 VAL H . . 5.170 4.925 4.768 5.202 0.032 10 0 "[ . 1 . 2]" 1
52 1 43 THR HA 1 44 LEU H . . 3.210 2.164 2.160 2.173 . 0 0 "[ . 1 . 2]" 1
53 1 99 THR HA 1 100 VAL H . . 3.170 2.149 2.141 2.213 . 0 0 "[ . 1 . 2]" 1
54 1 99 THR HB 1 100 VAL H . . 4.710 4.138 3.994 4.355 . 0 0 "[ . 1 . 2]" 1
55 1 100 VAL H 1 100 VAL HB . . 3.640 3.253 2.604 3.841 0.201 3 0 "[ . 1 . 2]" 1
56 1 48 ILE HB 1 49 ASP H . . 5.360 4.370 4.167 4.441 . 0 0 "[ . 1 . 2]" 1
57 1 44 LEU H 1 44 LEU MD1 . . 3.260 2.937 2.748 3.026 . 0 0 "[ . 1 . 2]" 1
58 1 100 VAL H 1 100 VAL MG1 . . 4.010 2.372 2.048 3.730 . 0 0 "[ . 1 . 2]" 1
59 1 53 LYS H 1 54 ALA H . . 4.650 4.330 4.158 4.492 . 0 0 "[ . 1 . 2]" 1
60 1 53 LYS HA 1 54 ALA H . . 3.110 2.184 2.140 2.267 . 0 0 "[ . 1 . 2]" 1
61 1 48 ILE HA 1 54 ALA H . . 5.500 4.696 4.317 5.033 . 0 0 "[ . 1 . 2]" 1
62 1 53 LYS HG2 1 54 ALA H . . 4.760 3.858 3.021 4.818 0.058 7 0 "[ . 1 . 2]" 1
63 1 53 LYS HG3 1 54 ALA H . . 4.760 2.747 2.093 3.999 . 0 0 "[ . 1 . 2]" 1
64 1 54 ALA H 1 54 ALA MB . . 3.200 2.308 2.094 2.437 . 0 0 "[ . 1 . 2]" 1
65 1 46 PHE HA 1 58 ASN H . . 4.020 3.368 3.057 3.860 . 0 0 "[ . 1 . 2]" 1
66 1 57 ILE HA 1 58 ASN H . . 3.170 2.167 2.140 2.205 . 0 0 "[ . 1 . 2]" 1
67 1 46 PHE HB3 1 58 ASN H . . 4.730 3.486 2.880 3.909 . 0 0 "[ . 1 . 2]" 1
68 1 46 PHE HB2 1 58 ASN H . . 5.500 4.588 4.010 4.932 . 0 0 "[ . 1 . 2]" 1
69 1 58 ASN H 1 58 ASN HB3 . . 3.640 2.645 2.498 2.846 . 0 0 "[ . 1 . 2]" 1
70 1 57 ILE HB 1 58 ASN H . . 4.590 4.493 4.438 4.518 . 0 0 "[ . 1 . 2]" 1
71 1 44 LEU HB3 1 58 ASN H . . 4.810 4.546 4.010 4.827 0.017 16 0 "[ . 1 . 2]" 1
72 1 57 ILE MD 1 58 ASN H . . 3.650 3.337 2.918 3.678 0.028 17 0 "[ . 1 . 2]" 1
73 1 45 SER H 1 60 VAL H . . 4.430 3.404 3.223 3.617 . 0 0 "[ . 1 . 2]" 1
74 1 44 LEU HA 1 45 SER H . . 3.220 2.180 2.160 2.208 . 0 0 "[ . 1 . 2]" 1
75 1 45 SER H 1 46 PHE HA . . 5.500 5.081 5.015 5.140 . 0 0 "[ . 1 . 2]" 1
76 1 45 SER H 1 57 ILE HA . . 5.500 5.120 4.860 5.503 0.003 10 0 "[ . 1 . 2]" 1
77 1 45 SER H 1 59 VAL HA . . 3.810 2.655 2.463 2.879 . 0 0 "[ . 1 . 2]" 1
78 1 45 SER H 1 58 ASN HB3 . . 4.590 4.307 4.182 4.479 . 0 0 "[ . 1 . 2]" 1
79 1 45 SER H 1 59 VAL HB . . 5.500 5.192 4.436 5.675 0.175 3 0 "[ . 1 . 2]" 1
80 1 45 SER H 1 60 VAL HB . . 5.500 5.032 4.624 5.423 . 0 0 "[ . 1 . 2]" 1
81 1 44 LEU HB2 1 45 SER H . . 4.540 4.313 4.257 4.377 . 0 0 "[ . 1 . 2]" 1
82 1 44 LEU HB3 1 45 SER H . . 3.930 3.214 3.102 3.334 . 0 0 "[ . 1 . 2]" 1
83 1 43 THR MG 1 45 SER H . . 5.430 4.773 4.475 5.011 . 0 0 "[ . 1 . 2]" 1
84 1 22 LEU H 1 82 GLN H . . 4.890 4.599 4.230 4.900 0.010 6 0 "[ . 1 . 2]" 1
85 1 81 TYR QD 1 82 GLN H . . 4.170 2.222 1.938 2.822 . 0 0 "[ . 1 . 2]" 1
86 1 81 TYR HA 1 82 GLN H . . 3.300 2.195 2.145 2.267 . 0 0 "[ . 1 . 2]" 1
87 1 82 GLN H 1 83 PRO HD3 . . 5.500 4.859 4.751 4.927 . 0 0 "[ . 1 . 2]" 1
88 1 21 PRO HA 1 82 GLN H . . 4.560 4.358 4.134 4.533 . 0 0 "[ . 1 . 2]" 1
89 1 81 TYR HB2 1 82 GLN H . . 4.380 4.351 4.215 4.471 0.091 9 0 "[ . 1 . 2]" 1
90 1 81 TYR HB3 1 82 GLN H . . 4.380 3.589 3.358 3.858 . 0 0 "[ . 1 . 2]" 1
91 1 82 GLN H 1 82 GLN HB2 . . 3.620 2.716 2.323 3.043 . 0 0 "[ . 1 . 2]" 1
92 1 82 GLN H 1 82 GLN HB3 . . 3.620 2.677 2.423 3.069 . 0 0 "[ . 1 . 2]" 1
93 1 22 LEU HG 1 82 GLN H . . 4.610 3.056 2.794 3.334 . 0 0 "[ . 1 . 2]" 1
94 1 44 LEU H 1 60 VAL H . . 5.360 4.952 4.755 5.110 . 0 0 "[ . 1 . 2]" 1
95 1 44 LEU HA 1 60 VAL H . . 3.910 2.831 2.624 2.970 . 0 0 "[ . 1 . 2]" 1
96 1 59 VAL HA 1 60 VAL H . . 3.260 2.162 2.141 2.200 . 0 0 "[ . 1 . 2]" 1
97 1 43 THR HB 1 60 VAL H . . 4.370 3.802 3.463 4.148 . 0 0 "[ . 1 . 2]" 1
98 1 60 VAL H 1 60 VAL HB . . 3.650 2.590 2.501 2.653 . 0 0 "[ . 1 . 2]" 1
99 1 59 VAL HB 1 60 VAL H . . 4.480 4.094 3.931 4.206 . 0 0 "[ . 1 . 2]" 1
100 1 43 THR MG 1 60 VAL H . . 4.520 3.903 3.290 4.204 . 0 0 "[ . 1 . 2]" 1
101 1 49 ASP HA 1 93 GLN H . . 5.180 4.596 4.257 4.935 . 0 0 "[ . 1 . 2]" 1
102 1 91 ILE HA 1 93 GLN H . . 5.400 4.237 3.319 4.924 . 0 0 "[ . 1 . 2]" 1
103 1 92 GLU HA 1 93 GLN H . . 3.230 2.504 2.284 2.842 . 0 0 "[ . 1 . 2]" 1
104 1 47 THR HB 1 93 GLN H . . 5.500 5.026 4.495 5.512 0.012 15 0 "[ . 1 . 2]" 1
105 1 93 GLN H 1 94 PRO HD2 . . 5.500 4.354 4.114 4.636 . 0 0 "[ . 1 . 2]" 1
106 1 93 GLN H 1 94 PRO HD3 . . 5.500 3.759 3.374 4.259 . 0 0 "[ . 1 . 2]" 1
107 1 48 ILE HB 1 93 GLN H . . 4.440 3.045 2.467 3.464 . 0 0 "[ . 1 . 2]" 1
108 1 44 LEU H 1 98 VAL H . . 3.860 3.154 2.979 3.795 . 0 0 "[ . 1 . 2]" 1
109 1 98 VAL H 1 99 THR H . . 4.960 4.208 4.157 4.334 . 0 0 "[ . 1 . 2]" 1
110 1 46 PHE QE 1 98 VAL H . . 4.080 3.556 3.040 3.827 . 0 0 "[ . 1 . 2]" 1
111 1 46 PHE QD 1 98 VAL H . . 4.900 3.984 3.521 4.300 . 0 0 "[ . 1 . 2]" 1
112 1 97 THR HA 1 98 VAL H . . 3.090 2.205 2.145 2.249 . 0 0 "[ . 1 . 2]" 1
113 1 97 THR HB 1 98 VAL H . . 3.680 2.993 2.821 3.337 . 0 0 "[ . 1 . 2]" 1
114 1 44 LEU HB2 1 98 VAL H . . 4.970 4.252 4.054 4.531 . 0 0 "[ . 1 . 2]" 1
115 1 98 VAL H 1 98 VAL MG2 . . 4.750 3.828 3.808 3.847 . 0 0 "[ . 1 . 2]" 1
116 1 85 ILE H 1 86 VAL H . . 4.420 4.386 4.226 4.447 0.027 6 0 "[ . 1 . 2]" 1
117 1 86 VAL H 1 89 LYS H . . 4.680 3.747 3.551 4.150 . 0 0 "[ . 1 . 2]" 1
118 1 86 VAL H 1 90 ALA HA . . 4.320 3.208 2.634 4.047 . 0 0 "[ . 1 . 2]" 1
119 1 85 ILE HA 1 86 VAL H . . 3.000 2.147 2.140 2.172 . 0 0 "[ . 1 . 2]" 1
120 1 86 VAL H 1 86 VAL HB . . 3.290 3.103 2.830 3.281 . 0 0 "[ . 1 . 2]" 1
121 1 85 ILE MG 1 86 VAL H . . 3.340 2.830 2.551 3.158 . 0 0 "[ . 1 . 2]" 1
122 1 70 ARG H 1 71 GLU H . . 3.760 2.761 2.597 3.022 . 0 0 "[ . 1 . 2]" 1
123 1 68 PHE HA 1 71 GLU H . . 4.720 3.323 3.034 3.660 . 0 0 "[ . 1 . 2]" 1
124 1 71 GLU H 1 71 GLU HB3 . . 3.740 3.320 2.578 3.605 . 0 0 "[ . 1 . 2]" 1
125 1 71 GLU H 1 71 GLU HB2 . . 3.740 2.720 2.133 3.591 . 0 0 "[ . 1 . 2]" 1
126 1 28 VAL MG1 1 71 GLU H . . 5.050 4.513 4.301 4.717 . 0 0 "[ . 1 . 2]" 1
127 1 42 VAL H 1 100 VAL H . . 3.770 2.984 2.689 3.358 . 0 0 "[ . 1 . 2]" 1
128 1 41 PHE QD 1 42 VAL H . . 3.980 3.357 2.990 3.908 . 0 0 "[ . 1 . 2]" 1
129 1 42 VAL H 1 102 PHE QD . . 4.450 3.739 3.252 4.107 . 0 0 "[ . 1 . 2]" 1
130 1 41 PHE HA 1 42 VAL H . . 3.360 2.396 2.167 2.486 . 0 0 "[ . 1 . 2]" 1
131 1 42 VAL H 1 99 THR HA . . 4.820 4.365 3.985 4.696 . 0 0 "[ . 1 . 2]" 1
132 1 42 VAL H 1 101 GLU HA . . 4.380 3.498 3.085 3.997 . 0 0 "[ . 1 . 2]" 1
133 1 42 VAL H 1 100 VAL HA . . 5.500 4.858 4.678 5.200 . 0 0 "[ . 1 . 2]" 1
134 1 41 PHE HB2 1 42 VAL H . . 4.310 2.507 2.250 3.200 . 0 0 "[ . 1 . 2]" 1
135 1 41 PHE HB3 1 42 VAL H . . 4.310 3.803 3.571 4.236 . 0 0 "[ . 1 . 2]" 1
136 1 42 VAL H 1 72 ALA MB . . 5.500 5.377 5.050 5.576 0.076 7 0 "[ . 1 . 2]" 1
137 1 42 VAL H 1 102 PHE HB2 . . 5.500 5.223 4.541 5.540 0.040 17 0 "[ . 1 . 2]" 1
138 1 42 VAL H 1 100 VAL MG1 . . 5.060 3.450 2.797 4.610 . 0 0 "[ . 1 . 2]" 1
139 1 40 GLY H 1 102 PHE H . . 4.950 4.311 3.538 4.958 0.008 8 0 "[ . 1 . 2]" 1
140 1 101 GLU H 1 102 PHE H . . 5.250 4.486 3.922 4.624 . 0 0 "[ . 1 . 2]" 1
141 1 68 PHE QE 1 102 PHE H . . 5.500 4.771 4.216 5.518 0.018 11 0 "[ . 1 . 2]" 1
142 1 102 PHE H 1 102 PHE QE . . 5.500 5.106 4.627 5.378 . 0 0 "[ . 1 . 2]" 1
143 1 41 PHE HA 1 102 PHE H . . 4.370 2.599 2.025 3.445 . 0 0 "[ . 1 . 2]" 1
144 1 102 PHE H 1 102 PHE HB3 . . 3.810 3.523 3.459 3.649 . 0 0 "[ . 1 . 2]" 1
145 1 102 PHE H 1 102 PHE HB2 . . 3.740 2.292 2.168 2.464 . 0 0 "[ . 1 . 2]" 1
146 1 21 PRO HA 1 22 LEU H . . 3.510 2.708 2.698 2.723 . 0 0 "[ . 1 . 2]" 1
147 1 21 PRO HG2 1 22 LEU H . . 3.770 3.814 3.782 3.835 0.065 13 0 "[ . 1 . 2]" 1
148 1 71 GLU H 1 72 ALA H . . 3.210 2.669 2.470 2.784 . 0 0 "[ . 1 . 2]" 1
149 1 72 ALA H 1 73 MET H . . 3.550 2.640 2.558 2.711 . 0 0 "[ . 1 . 2]" 1
150 1 72 ALA H 1 102 PHE HZ . . 5.230 4.971 4.192 5.297 0.067 1 0 "[ . 1 . 2]" 1
151 1 72 ALA H 1 73 MET HA . . 5.500 5.251 5.193 5.317 . 0 0 "[ . 1 . 2]" 1
152 1 71 GLU HB2 1 72 ALA H . . 3.950 2.967 2.451 3.702 . 0 0 "[ . 1 . 2]" 1
153 1 28 VAL MG1 1 72 ALA H . . 4.820 4.203 3.886 4.479 . 0 0 "[ . 1 . 2]" 1
154 1 80 LYS H 1 81 TYR H . . 5.500 4.215 4.093 4.308 . 0 0 "[ . 1 . 2]" 1
155 1 79 TRP H 1 80 LYS H . . 4.650 4.607 4.554 4.647 . 0 0 "[ . 1 . 2]" 1
156 1 23 TYR H 1 80 LYS H . . 4.040 3.997 3.872 4.092 0.052 5 0 "[ . 1 . 2]" 1
157 1 23 TYR QD 1 80 LYS H . . 4.720 4.417 4.191 4.796 0.076 13 0 "[ . 1 . 2]" 1
158 1 79 TRP HD1 1 80 LYS H . . 4.980 4.137 3.998 4.278 . 0 0 "[ . 1 . 2]" 1
159 1 79 TRP HE3 1 80 LYS H . . 5.500 5.308 5.066 5.502 0.002 10 0 "[ . 1 . 2]" 1
160 1 79 TRP HA 1 80 LYS H . . 3.500 2.385 2.255 2.468 . 0 0 "[ . 1 . 2]" 1
161 1 80 LYS H 1 81 TYR HA . . 5.500 4.748 4.639 4.845 . 0 0 "[ . 1 . 2]" 1
162 1 79 TRP HB2 1 80 LYS H . . 4.110 3.879 3.756 4.126 0.016 13 0 "[ . 1 . 2]" 1
163 1 79 TRP HB3 1 80 LYS H . . 3.540 2.525 2.333 2.894 . 0 0 "[ . 1 . 2]" 1
164 1 23 TYR HB3 1 80 LYS H . . 4.340 3.450 2.968 3.600 . 0 0 "[ . 1 . 2]" 1
165 1 23 TYR HB2 1 80 LYS H . . 4.900 4.735 3.778 4.960 0.060 18 0 "[ . 1 . 2]" 1
166 1 21 PRO HG3 1 80 LYS H . . 4.090 3.342 3.011 3.687 . 0 0 "[ . 1 . 2]" 1
167 1 21 PRO HB2 1 80 LYS H . . 5.070 2.806 2.652 3.136 . 0 0 "[ . 1 . 2]" 1
168 1 21 PRO HB3 1 80 LYS H . . 5.450 2.722 2.461 3.495 . 0 0 "[ . 1 . 2]" 1
169 1 68 PHE H 1 69 GLU H . . 3.590 2.058 1.848 2.334 . 0 0 "[ . 1 . 2]" 1
170 1 68 PHE H 1 68 PHE QD . . 4.300 2.920 2.462 3.302 . 0 0 "[ . 1 . 2]" 1
171 1 64 PRO QD 1 68 PHE H . . 5.500 4.949 4.293 5.308 . 0 0 "[ . 1 . 2]" 1
172 1 33 ALA MB 1 68 PHE H . . 5.270 4.114 3.766 4.504 . 0 0 "[ . 1 . 2]" 1
173 1 67 MET HB2 1 68 PHE H . . 3.810 2.115 1.907 2.650 . 0 0 "[ . 1 . 2]" 1
174 1 67 MET HB3 1 68 PHE H . . 3.810 3.150 2.735 3.696 . 0 0 "[ . 1 . 2]" 1
175 1 39 GLU H 1 40 GLY H . . 4.120 3.783 3.343 4.156 0.036 16 0 "[ . 1 . 2]" 1
176 1 40 GLY H 1 68 PHE HZ . . 5.280 2.277 1.940 2.813 . 0 0 "[ . 1 . 2]" 1
177 1 40 GLY H 1 68 PHE QD . . 5.010 4.266 4.023 4.774 . 0 0 "[ . 1 . 2]" 1
178 1 40 GLY H 1 102 PHE QD . . 5.500 5.130 4.691 5.474 . 0 0 "[ . 1 . 2]" 1
179 1 39 GLU HB2 1 40 GLY H . . 5.130 4.425 4.257 4.543 . 0 0 "[ . 1 . 2]" 1
180 1 39 GLU HB3 1 40 GLY H . . 5.130 4.051 3.683 4.340 . 0 0 "[ . 1 . 2]" 1
181 1 40 GLY H 1 102 PHE HB2 . . 3.890 3.341 2.809 3.827 . 0 0 "[ . 1 . 2]" 1
182 1 63 ASN HA 1 65 LYS H . . 5.330 4.289 3.978 5.358 0.028 15 0 "[ . 1 . 2]" 1
183 1 64 PRO QD 1 65 LYS H . . 4.820 2.749 2.601 3.277 . 0 0 "[ . 1 . 2]" 1
184 1 19 ALA H 1 81 TYR QE . . 5.500 5.444 5.135 5.549 0.049 6 0 "[ . 1 . 2]" 1
185 1 18 GLN HA 1 19 ALA H . . 3.140 2.547 2.241 3.551 0.411 7 0 "[ . 1 . 2]" 1
186 1 18 GLN HG2 1 19 ALA H . . 5.480 4.314 3.404 5.116 . 0 0 "[ . 1 . 2]" 1
187 1 18 GLN HG3 1 19 ALA H . . 5.480 4.068 2.031 5.065 . 0 0 "[ . 1 . 2]" 1
188 1 41 PHE H 1 63 ASN H . . 3.840 2.578 1.871 3.538 . 0 0 "[ . 1 . 2]" 1
189 1 41 PHE H 1 41 PHE QD . . 4.570 2.975 2.221 3.428 . 0 0 "[ . 1 . 2]" 1
190 1 41 PHE H 1 68 PHE HZ . . 5.500 5.537 5.286 5.697 0.197 8 0 "[ . 1 . 2]" 1
191 1 40 GLY HA2 1 41 PHE H . . 3.100 2.953 2.420 3.147 0.047 20 0 "[ . 1 . 2]" 1
192 1 41 PHE H 1 63 ASN HA . . 3.600 2.400 2.002 3.075 . 0 0 "[ . 1 . 2]" 1
193 1 41 PHE H 1 42 VAL HA . . 5.050 4.720 4.562 4.948 . 0 0 "[ . 1 . 2]" 1
194 1 41 PHE H 1 64 PRO QD . . 5.030 3.767 3.299 4.098 . 0 0 "[ . 1 . 2]" 1
195 1 41 PHE H 1 63 ASN HB2 . . 5.500 4.606 3.775 5.384 . 0 0 "[ . 1 . 2]" 1
196 1 41 PHE H 1 63 ASN HB3 . . 5.500 3.560 2.871 4.665 . 0 0 "[ . 1 . 2]" 1
197 1 91 ILE H 1 91 ILE HB . . 3.790 3.048 2.990 3.079 . 0 0 "[ . 1 . 2]" 1
198 1 55 VAL H 1 56 ASP H . . 5.500 4.402 4.375 4.446 . 0 0 "[ . 1 . 2]" 1
199 1 55 VAL HA 1 56 ASP H . . 3.290 2.580 2.452 2.660 . 0 0 "[ . 1 . 2]" 1
200 1 56 ASP H 1 56 ASP HB3 . . 4.100 3.854 3.694 4.098 . 0 0 "[ . 1 . 2]" 1
201 1 56 ASP H 1 56 ASP HB2 . . 4.100 3.130 2.980 3.394 . 0 0 "[ . 1 . 2]" 1
202 1 55 VAL HB 1 56 ASP H . . 3.120 2.029 1.928 2.267 . 0 0 "[ . 1 . 2]" 1
203 1 56 ASP H 1 57 ILE HB . . 4.840 4.823 4.683 4.912 0.072 17 0 "[ . 1 . 2]" 1
204 1 28 VAL HA 1 29 TYR H . . 2.990 2.191 2.144 2.241 . 0 0 "[ . 1 . 2]" 1
205 1 29 TYR H 1 29 TYR HB3 . . 3.490 3.199 2.990 3.333 . 0 0 "[ . 1 . 2]" 1
206 1 29 TYR H 1 29 TYR HB2 . . 3.480 2.200 2.070 2.395 . 0 0 "[ . 1 . 2]" 1
207 1 28 VAL HB 1 29 TYR H . . 4.610 4.175 4.061 4.326 . 0 0 "[ . 1 . 2]" 1
208 1 92 GLU H 1 93 GLN H . . 4.650 3.006 2.736 3.444 . 0 0 "[ . 1 . 2]" 1
209 1 91 ILE HA 1 92 GLU H . . 3.040 2.633 2.566 2.671 . 0 0 "[ . 1 . 2]" 1
210 1 91 ILE MG 1 92 GLU H . . 3.360 1.935 1.816 2.012 . 0 0 "[ . 1 . 2]" 1
211 1 51 THR H 1 52 GLY H . . 3.200 2.820 2.804 2.882 . 0 0 "[ . 1 . 2]" 1
212 1 51 THR H 1 52 GLY HA2 . . 5.020 4.910 4.897 4.952 . 0 0 "[ . 1 . 2]" 1
213 1 51 THR H 1 51 THR MG . . 3.450 2.118 1.857 2.213 . 0 0 "[ . 1 . 2]" 1
214 1 48 ILE MG 1 51 THR H . . 5.500 5.063 4.677 5.193 . 0 0 "[ . 1 . 2]" 1
215 1 38 VAL HA 1 39 GLU H . . 3.030 2.234 2.161 2.270 . 0 0 "[ . 1 . 2]" 1
216 1 39 GLU H 1 39 GLU HG2 . . 4.760 3.858 3.226 4.311 . 0 0 "[ . 1 . 2]" 1
217 1 39 GLU H 1 39 GLU HG3 . . 4.760 2.984 2.619 3.489 . 0 0 "[ . 1 . 2]" 1
218 1 39 GLU H 1 104 ILE HG12 . . 4.910 4.448 4.292 4.663 . 0 0 "[ . 1 . 2]" 1
219 1 38 VAL MG1 1 39 GLU H . . 4.240 3.057 2.240 3.446 . 0 0 "[ . 1 . 2]" 1
220 1 102 PHE HD1 1 103 LYS H . . 5.500 5.052 4.602 5.487 . 0 0 "[ . 1 . 2]" 1
221 1 102 PHE HA 1 103 LYS H . . 3.010 2.175 2.138 2.340 . 0 0 "[ . 1 . 2]" 1
222 1 102 PHE HB3 1 103 LYS H . . 4.050 3.507 2.654 3.837 . 0 0 "[ . 1 . 2]" 1
223 1 103 LYS H 1 103 LYS HG2 . . 5.360 3.464 1.947 4.864 . 0 0 "[ . 1 . 2]" 1
224 1 103 LYS H 1 103 LYS HG3 . . 5.360 3.207 2.024 4.754 . 0 0 "[ . 1 . 2]" 1
225 1 45 SER H 1 46 PHE H . . 5.100 4.230 4.138 4.342 . 0 0 "[ . 1 . 2]" 1
226 1 46 PHE H 1 58 ASN H . . 5.500 4.778 4.584 4.994 . 0 0 "[ . 1 . 2]" 1
227 1 46 PHE H 1 46 PHE QD . . 3.750 2.073 1.918 2.458 . 0 0 "[ . 1 . 2]" 1
228 1 46 PHE H 1 47 THR HA . . 5.500 4.814 4.721 4.886 . 0 0 "[ . 1 . 2]" 1
229 1 70 ARG H 1 73 MET HB3 . . 5.500 5.275 4.861 5.515 0.015 12 0 "[ . 1 . 2]" 1
230 1 19 ALA MB 1 46 PHE H . . 5.500 5.452 4.764 5.564 0.064 14 0 "[ . 1 . 2]" 1
231 1 89 LYS H 1 90 ALA H . . 4.580 4.255 3.949 4.476 . 0 0 "[ . 1 . 2]" 1
232 1 89 LYS HA 1 90 ALA H . . 2.830 2.213 2.141 2.377 . 0 0 "[ . 1 . 2]" 1
233 1 89 LYS HB3 1 90 ALA H . . 4.110 3.159 2.510 4.115 0.005 1 0 "[ . 1 . 2]" 1
234 1 85 ILE MG 1 90 ALA H . . 4.830 4.781 4.635 4.861 0.031 6 0 "[ . 1 . 2]" 1
235 1 90 ALA H 1 91 ILE MD . . 5.280 4.431 4.135 5.321 0.041 11 0 "[ . 1 . 2]" 1
236 1 27 PRO HA 1 28 VAL H . . 3.330 2.194 2.165 2.230 . 0 0 "[ . 1 . 2]" 1
237 1 28 VAL H 1 71 GLU HA . . 5.500 5.612 5.501 5.696 0.196 1 0 "[ . 1 . 2]" 1
238 1 28 VAL H 1 28 VAL HB . . 3.290 2.491 2.398 2.702 . 0 0 "[ . 1 . 2]" 1
239 1 28 VAL H 1 28 VAL MG1 . . 3.280 2.236 1.985 2.389 . 0 0 "[ . 1 . 2]" 1
240 1 62 ALA H 1 63 ASN H . . 4.720 4.072 3.889 4.294 . 0 0 "[ . 1 . 2]" 1
241 1 61 ASP HA 1 62 ALA H . . 2.990 2.179 2.141 2.289 . 0 0 "[ . 1 . 2]" 1
242 1 43 THR HB 1 62 ALA H . . 5.260 5.217 4.995 5.298 0.038 8 0 "[ . 1 . 2]" 1
243 1 61 ASP HB2 1 62 ALA H . . 4.640 4.404 4.115 4.524 . 0 0 "[ . 1 . 2]" 1
244 1 61 ASP HB3 1 62 ALA H . . 3.900 3.587 2.883 3.834 . 0 0 "[ . 1 . 2]" 1
245 1 69 GLU H 1 70 ARG H . . 4.390 2.702 2.551 2.948 . 0 0 "[ . 1 . 2]" 1
246 1 68 PHE H 1 70 ARG H . . 4.830 4.446 4.054 4.877 0.047 7 0 "[ . 1 . 2]" 1
247 1 44 LEU HB3 1 46 PHE H . . 5.500 4.661 4.408 4.968 . 0 0 "[ . 1 . 2]" 1
248 1 62 ALA MB 1 70 ARG H . . 5.500 5.373 4.809 5.629 0.129 14 0 "[ . 1 . 2]" 1
249 1 16 ASN HA 1 18 GLN H . . 5.500 4.671 3.579 5.507 0.007 14 0 "[ . 1 . 2]" 1
250 1 18 GLN H 1 18 GLN HG2 . . 4.830 3.283 1.962 4.772 . 0 0 "[ . 1 . 2]" 1
251 1 18 GLN H 1 18 GLN HG3 . . 4.830 3.649 2.348 4.646 . 0 0 "[ . 1 . 2]" 1
252 1 74 GLN H 1 75 ALA H . . 3.610 2.658 2.550 2.785 . 0 0 "[ . 1 . 2]" 1
253 1 71 GLU HA 1 74 GLN H . . 3.940 3.854 3.667 3.965 0.025 3 0 "[ . 1 . 2]" 1
254 1 74 GLN H 1 74 GLN HG3 . . 3.850 3.650 3.404 3.846 . 0 0 "[ . 1 . 2]" 1
255 1 73 MET HB3 1 74 GLN H . . 3.360 2.323 2.213 2.444 . 0 0 "[ . 1 . 2]" 1
256 1 74 GLN H 1 75 ALA MB . . 4.600 4.311 4.123 4.438 . 0 0 "[ . 1 . 2]" 1
257 1 104 ILE H 1 105 ALA H . . 4.760 4.595 4.453 4.626 . 0 0 "[ . 1 . 2]" 1
258 1 104 ILE HA 1 105 ALA H . . 3.140 2.214 2.188 2.229 . 0 0 "[ . 1 . 2]" 1
259 1 104 ILE HB 1 105 ALA H . . 3.980 3.942 3.857 3.997 0.017 1 0 "[ . 1 . 2]" 1
260 1 105 ALA H 1 105 ALA MB . . 3.210 2.193 2.025 2.875 . 0 0 "[ . 1 . 2]" 1
261 1 104 ILE MG 1 105 ALA H . . 3.410 2.181 1.992 2.358 . 0 0 "[ . 1 . 2]" 1
262 1 87 ASP HA 1 88 GLY H . . 3.290 2.159 2.156 2.168 . 0 0 "[ . 1 . 2]" 1
263 1 97 THR H 1 98 VAL H . . 4.810 4.384 4.268 4.499 . 0 0 "[ . 1 . 2]" 1
264 1 96 GLN H 1 97 THR H . . 4.640 4.391 4.137 4.560 . 0 0 "[ . 1 . 2]" 1
265 1 96 GLN HA 1 97 THR H . . 3.000 2.173 2.140 2.266 . 0 0 "[ . 1 . 2]" 1
266 1 97 THR H 1 97 THR HB . . 4.050 3.818 3.660 3.935 . 0 0 "[ . 1 . 2]" 1
267 1 96 GLN HG2 1 97 THR H . . 5.500 4.624 4.054 5.156 . 0 0 "[ . 1 . 2]" 1
268 1 96 GLN HG3 1 97 THR H . . 5.500 3.881 2.407 5.449 . 0 0 "[ . 1 . 2]" 1
269 1 96 GLN HB2 1 97 THR H . . 4.810 4.255 3.864 4.516 . 0 0 "[ . 1 . 2]" 1
270 1 96 GLN HB3 1 97 THR H . . 4.810 3.873 2.785 4.422 . 0 0 "[ . 1 . 2]" 1
271 1 84 GLN H 1 85 ILE H . . 4.420 4.210 3.863 4.484 0.064 9 0 "[ . 1 . 2]" 1
272 1 85 ILE H 1 90 ALA HA . . 5.500 5.064 4.695 5.500 0.000 12 0 "[ . 1 . 2]" 1
273 1 84 GLN HA 1 85 ILE H . . 2.900 2.145 2.139 2.174 . 0 0 "[ . 1 . 2]" 1
274 1 85 ILE H 1 85 ILE HB . . 3.120 2.514 2.463 2.640 . 0 0 "[ . 1 . 2]" 1
275 1 84 GLN HG2 1 85 ILE H . . 4.830 4.350 4.131 4.666 . 0 0 "[ . 1 . 2]" 1
276 1 36 ARG H 1 38 VAL H . . 5.100 4.734 4.572 4.934 . 0 0 "[ . 1 . 2]" 1
277 1 38 VAL H 1 68 PHE QE . . 4.940 4.804 4.462 4.979 0.039 18 0 "[ . 1 . 2]" 1
278 1 38 VAL H 1 38 VAL HB . . 3.250 2.517 2.200 2.933 . 0 0 "[ . 1 . 2]" 1
279 1 38 VAL H 1 104 ILE HG12 . . 4.050 4.026 3.542 4.109 0.059 9 0 "[ . 1 . 2]" 1
280 1 38 VAL H 1 38 VAL MG1 . . 3.940 2.678 2.159 3.625 . 0 0 "[ . 1 . 2]" 1
281 1 38 VAL H 1 104 ILE HG13 . . 4.100 3.045 2.545 3.239 . 0 0 "[ . 1 . 2]" 1
282 1 38 VAL H 1 104 ILE MD . . 4.550 3.284 2.626 3.884 . 0 0 "[ . 1 . 2]" 1
283 1 33 ALA H 1 34 LEU H . . 3.500 2.722 2.608 2.834 . 0 0 "[ . 1 . 2]" 1
284 1 34 LEU H 1 34 LEU MD1 . . 4.660 4.145 4.005 4.253 . 0 0 "[ . 1 . 2]" 1
285 1 32 ARG HA 1 35 LYS H . . 4.360 3.579 3.358 3.866 . 0 0 "[ . 1 . 2]" 1
286 1 33 ALA HA 1 35 LYS H . . 4.850 4.327 3.930 4.889 0.039 14 0 "[ . 1 . 2]" 1
287 1 35 LYS H 1 35 LYS HB2 . . 3.050 2.460 2.298 2.686 . 0 0 "[ . 1 . 2]" 1
288 1 34 LEU MD1 1 35 LYS H . . 5.400 4.458 3.164 4.940 . 0 0 "[ . 1 . 2]" 1
289 1 73 MET H 1 74 GLN HG2 . . 4.750 4.207 3.887 4.458 . 0 0 "[ . 1 . 2]" 1
290 1 73 MET H 1 73 MET HB2 . . 3.080 2.514 2.302 2.753 . 0 0 "[ . 1 . 2]" 1
291 1 72 ALA MB 1 73 MET H . . 3.860 2.510 2.363 2.706 . 0 0 "[ . 1 . 2]" 1
292 1 66 ARG H 1 67 MET H . . 4.150 4.017 3.435 4.315 0.165 11 0 "[ . 1 . 2]" 1
293 1 67 MET H 1 69 GLU H . . 4.100 2.503 2.356 2.832 . 0 0 "[ . 1 . 2]" 1
294 1 67 MET H 1 68 PHE H . . 3.390 2.401 1.931 2.695 . 0 0 "[ . 1 . 2]" 1
295 1 67 MET H 1 68 PHE QD . . 5.500 4.815 4.261 5.065 . 0 0 "[ . 1 . 2]" 1
296 1 66 ARG HA 1 67 MET H . . 3.420 2.225 2.160 2.347 . 0 0 "[ . 1 . 2]" 1
297 1 67 MET H 1 69 GLU HB2 . . 4.350 3.449 2.900 4.202 . 0 0 "[ . 1 . 2]" 1
298 1 67 MET H 1 69 GLU HB3 . . 4.350 3.848 3.328 4.503 0.153 7 0 "[ . 1 . 2]" 1
299 1 33 ALA MB 1 67 MET H . . 5.000 4.846 4.532 5.053 0.053 17 0 "[ . 1 . 2]" 1
300 1 67 MET H 1 67 MET HB2 . . 4.040 2.783 2.626 2.879 . 0 0 "[ . 1 . 2]" 1
301 1 67 MET H 1 67 MET HB3 . . 4.040 3.851 3.755 3.910 . 0 0 "[ . 1 . 2]" 1
302 1 50 THR HA 1 52 GLY H . . 4.320 3.415 3.283 3.520 . 0 0 "[ . 1 . 2]" 1
303 1 52 GLY H 1 83 PRO HB2 . . 5.050 4.470 4.115 4.993 . 0 0 "[ . 1 . 2]" 1
304 1 52 GLY H 1 91 ILE HB . . 5.500 4.529 4.133 4.754 . 0 0 "[ . 1 . 2]" 1
305 1 52 GLY H 1 83 PRO HG3 . . 5.070 4.655 4.277 4.937 . 0 0 "[ . 1 . 2]" 1
306 1 51 THR MG 1 52 GLY H . . 4.840 4.152 3.505 4.264 . 0 0 "[ . 1 . 2]" 1
307 1 48 ILE MG 1 52 GLY H . . 4.230 3.543 3.313 3.701 . 0 0 "[ . 1 . 2]" 1
308 1 95 GLY H 1 96 GLN H . . 4.160 3.352 3.035 3.800 . 0 0 "[ . 1 . 2]" 1
309 1 46 PHE H 1 96 GLN H . . 4.420 4.318 3.965 4.447 0.027 18 0 "[ . 1 . 2]" 1
310 1 46 PHE QD 1 96 GLN H . . 5.500 5.492 5.363 5.574 0.074 15 0 "[ . 1 . 2]" 1
311 1 94 PRO HA 1 96 GLN H . . 4.810 4.318 3.914 4.683 . 0 0 "[ . 1 . 2]" 1
312 1 96 GLN H 1 96 GLN HB2 . . 3.830 2.734 2.251 3.161 . 0 0 "[ . 1 . 2]" 1
313 1 47 THR MG 1 96 GLN H . . 4.690 3.447 2.946 3.807 . 0 0 "[ . 1 . 2]" 1
314 1 48 ILE MD 1 96 GLN H . . 5.500 5.497 5.347 5.567 0.067 9 0 "[ . 1 . 2]" 1
315 1 96 GLN H 1 96 GLN HB3 . . 3.830 2.901 2.418 3.853 0.023 15 0 "[ . 1 . 2]" 1
316 1 48 ILE H 1 49 ASP H . . 5.360 4.228 4.123 4.439 . 0 0 "[ . 1 . 2]" 1
317 1 48 ILE H 1 93 GLN H . . 4.310 3.524 3.185 3.940 . 0 0 "[ . 1 . 2]" 1
318 1 46 PHE QE 1 48 ILE H . . 5.500 5.038 4.805 5.478 . 0 0 "[ . 1 . 2]" 1
319 1 48 ILE H 1 94 PRO HA . . 4.190 3.721 3.095 4.105 . 0 0 "[ . 1 . 2]" 1
320 1 47 THR HB 1 48 ILE H . . 4.710 3.148 2.817 3.358 . 0 0 "[ . 1 . 2]" 1
321 1 48 ILE H 1 48 ILE HB . . 3.880 2.569 2.470 2.667 . 0 0 "[ . 1 . 2]" 1
322 1 49 ASP H 1 53 LYS H . . 3.690 2.931 2.519 3.201 . 0 0 "[ . 1 . 2]" 1
323 1 51 THR H 1 53 LYS H . . 4.050 3.749 3.644 3.863 . 0 0 "[ . 1 . 2]" 1
324 1 48 ILE HA 1 53 LYS H . . 4.260 4.032 3.665 4.152 . 0 0 "[ . 1 . 2]" 1
325 1 53 LYS H 1 53 LYS HG3 . . 4.650 4.437 3.553 4.644 . 0 0 "[ . 1 . 2]" 1
326 1 51 THR MG 1 53 LYS H . . 5.500 4.782 3.173 5.013 . 0 0 "[ . 1 . 2]" 1
327 1 48 ILE MG 1 53 LYS H . . 3.870 3.056 2.104 3.253 . 0 0 "[ . 1 . 2]" 1
328 1 106 LYS H 1 106 LYS HB2 . . 3.980 3.061 2.317 3.817 . 0 0 "[ . 1 . 2]" 1
329 1 105 ALA MB 1 106 LYS H . . 4.090 2.826 1.952 3.720 . 0 0 "[ . 1 . 2]" 1
330 1 104 ILE MG 1 106 LYS H . . 5.490 4.863 4.511 5.133 . 0 0 "[ . 1 . 2]" 1
331 1 57 ILE H 1 58 ASN H . . 4.630 4.365 4.250 4.482 . 0 0 "[ . 1 . 2]" 1
332 1 56 ASP H 1 57 ILE H . . 3.420 2.702 2.610 2.866 . 0 0 "[ . 1 . 2]" 1
333 1 46 PHE HA 1 57 ILE H . . 5.000 4.792 4.548 4.998 . 0 0 "[ . 1 . 2]" 1
334 1 55 VAL HA 1 57 ILE H . . 4.170 3.456 3.137 3.762 . 0 0 "[ . 1 . 2]" 1
335 1 56 ASP HA 1 57 ILE H . . 3.260 2.818 2.660 2.974 . 0 0 "[ . 1 . 2]" 1
336 1 46 PHE HB3 1 57 ILE H . . 5.280 4.765 4.507 5.207 . 0 0 "[ . 1 . 2]" 1
337 1 56 ASP HB3 1 57 ILE H . . 4.590 4.233 4.043 4.399 . 0 0 "[ . 1 . 2]" 1
338 1 56 ASP HB2 1 57 ILE H . . 4.590 4.474 4.092 4.601 0.011 14 0 "[ . 1 . 2]" 1
339 1 55 VAL HB 1 57 ILE H . . 4.820 4.517 4.243 4.800 . 0 0 "[ . 1 . 2]" 1
340 1 57 ILE H 1 57 ILE HB . . 3.170 2.325 2.214 2.459 . 0 0 "[ . 1 . 2]" 1
341 1 78 LYS H 1 79 TRP HD1 . . 5.170 4.825 4.558 5.120 . 0 0 "[ . 1 . 2]" 1
342 1 78 LYS H 1 79 TRP HB2 . . 5.210 4.522 4.325 4.751 . 0 0 "[ . 1 . 2]" 1
343 1 37 GLY H 1 38 VAL H . . 3.330 1.881 1.842 1.957 . 0 0 "[ . 1 . 2]" 1
344 1 36 ARG H 1 37 GLY H . . 3.490 3.140 2.971 3.267 . 0 0 "[ . 1 . 2]" 1
345 1 37 GLY H 1 38 VAL HB . . 4.350 4.196 3.685 4.414 0.064 15 0 "[ . 1 . 2]" 1
346 1 37 GLY H 1 38 VAL MG1 . . 5.430 3.950 3.412 4.991 . 0 0 "[ . 1 . 2]" 1
347 1 37 GLY H 1 104 ILE HG13 . . 4.170 2.761 2.444 3.489 . 0 0 "[ . 1 . 2]" 1
348 1 37 GLY H 1 104 ILE MD . . 4.350 2.911 2.310 3.566 . 0 0 "[ . 1 . 2]" 1
349 1 43 THR H 1 61 ASP H . . 4.120 3.876 3.749 4.010 . 0 0 "[ . 1 . 2]" 1
350 1 60 VAL H 1 61 ASP H . . 3.270 2.210 1.989 2.400 . 0 0 "[ . 1 . 2]" 1
351 1 61 ASP H 1 62 ALA H . . 4.360 4.048 3.869 4.337 . 0 0 "[ . 1 . 2]" 1
352 1 44 LEU HA 1 61 ASP H . . 4.510 4.240 4.125 4.399 . 0 0 "[ . 1 . 2]" 1
353 1 59 VAL HA 1 61 ASP H . . 3.850 3.829 3.744 3.901 0.051 14 0 "[ . 1 . 2]" 1
354 1 61 ASP H 1 61 ASP HB2 . . 4.070 3.115 2.801 3.266 . 0 0 "[ . 1 . 2]" 1
355 1 61 ASP H 1 61 ASP HB3 . . 4.110 3.595 3.260 3.821 . 0 0 "[ . 1 . 2]" 1
356 1 60 VAL HB 1 61 ASP H . . 3.750 2.800 2.642 2.980 . 0 0 "[ . 1 . 2]" 1
357 1 61 ASP H 1 62 ALA MB . . 5.180 3.901 3.720 4.192 . 0 0 "[ . 1 . 2]" 1
358 1 43 THR MG 1 61 ASP H . . 4.650 3.835 3.370 4.073 . 0 0 "[ . 1 . 2]" 1
359 1 24 ARG H 1 80 LYS H . . 5.500 4.163 3.831 4.364 . 0 0 "[ . 1 . 2]" 1
360 1 23 TYR H 1 24 ARG H . . 4.990 1.884 1.862 1.938 . 0 0 "[ . 1 . 2]" 1
361 1 23 TYR HD1 1 24 ARG H . . 5.310 4.931 4.217 5.109 . 0 0 "[ . 1 . 2]" 1
362 1 23 TYR HB3 1 24 ARG H . . 4.540 2.996 2.798 3.193 . 0 0 "[ . 1 . 2]" 1
363 1 88 GLY H 1 89 LYS H . . 3.680 2.788 2.408 3.306 . 0 0 "[ . 1 . 2]" 1
364 1 89 LYS H 1 89 LYS HB2 . . 3.360 2.844 2.476 3.516 0.156 1 0 "[ . 1 . 2]" 1
365 1 79 TRP H 1 79 TRP HD1 . . 3.780 3.346 2.960 3.626 . 0 0 "[ . 1 . 2]" 1
366 1 79 TRP H 1 79 TRP HB2 . . 3.390 2.260 2.221 2.297 . 0 0 "[ . 1 . 2]" 1
367 1 79 TRP H 1 79 TRP HB3 . . 3.610 3.536 3.513 3.553 . 0 0 "[ . 1 . 2]" 1
368 1 76 LEU HA 1 79 TRP H . . 4.390 3.806 3.740 3.909 . 0 0 "[ . 1 . 2]" 1
369 1 41 PHE QD 1 63 ASN H . . 4.570 3.659 2.745 4.631 0.061 18 0 "[ . 1 . 2]" 1
370 1 40 GLY HA2 1 63 ASN H . . 5.500 5.161 4.409 5.685 0.185 18 0 "[ . 1 . 2]" 1
371 1 62 ALA HA 1 63 ASN H . . 3.040 2.226 2.142 2.839 . 0 0 "[ . 1 . 2]" 1
372 1 62 ALA MB 1 63 ASN H . . 4.100 3.080 1.919 3.513 . 0 0 "[ . 1 . 2]" 1
373 1 23 TYR H 1 23 TYR HD1 . . 4.960 4.748 4.700 4.809 . 0 0 "[ . 1 . 2]" 1
374 1 23 TYR H 1 79 TRP HA . . 5.500 5.478 5.338 5.608 0.108 9 0 "[ . 1 . 2]" 1
375 1 21 PRO HA 1 23 TYR H . . 4.370 4.261 4.236 4.280 . 0 0 "[ . 1 . 2]" 1
376 1 23 TYR H 1 23 TYR HB3 . . 3.860 2.632 2.567 2.825 . 0 0 "[ . 1 . 2]" 1
377 1 23 TYR H 1 23 TYR HB2 . . 3.970 3.031 2.778 3.102 . 0 0 "[ . 1 . 2]" 1
378 1 23 TYR H 1 80 LYS HB2 . . 5.080 4.868 4.415 5.107 0.027 6 0 "[ . 1 . 2]" 1
379 1 23 TYR H 1 80 LYS HB3 . . 5.080 4.614 4.278 4.984 . 0 0 "[ . 1 . 2]" 1
380 1 21 PRO HG3 1 23 TYR H . . 4.600 4.251 4.161 4.328 . 0 0 "[ . 1 . 2]" 1
381 1 22 LEU HB2 1 23 TYR H . . 4.870 4.116 4.035 4.191 . 0 0 "[ . 1 . 2]" 1
382 1 21 PRO HB2 1 23 TYR H . . 3.480 2.119 2.109 2.131 . 0 0 "[ . 1 . 2]" 1
383 1 74 GLN H 1 77 LYS H . . 5.500 5.047 4.913 5.220 . 0 0 "[ . 1 . 2]" 1
384 1 77 LYS H 1 78 LYS H . . 3.760 2.546 2.419 2.719 . 0 0 "[ . 1 . 2]" 1
385 1 77 LYS H 1 77 LYS HB2 . . 3.330 2.370 2.099 2.576 . 0 0 "[ . 1 . 2]" 1
386 1 77 LYS H 1 77 LYS HB3 . . 3.330 2.846 2.544 3.605 0.275 16 0 "[ . 1 . 2]" 1
387 1 76 LEU HG 1 77 LYS H . . 5.500 5.186 4.987 5.351 . 0 0 "[ . 1 . 2]" 1
388 1 74 GLN HG3 1 75 ALA H . . 5.500 2.743 2.573 2.950 . 0 0 "[ . 1 . 2]" 1
389 1 74 GLN HB2 1 75 ALA H . . 4.340 3.998 3.867 4.055 . 0 0 "[ . 1 . 2]" 1
390 1 74 GLN HB3 1 75 ALA H . . 4.650 3.897 3.843 4.000 . 0 0 "[ . 1 . 2]" 1
391 1 75 ALA H 1 75 ALA MB . . 3.150 2.189 2.048 2.237 . 0 0 "[ . 1 . 2]" 1
392 1 76 LEU H 1 77 LYS H . . 3.470 2.786 2.762 2.822 . 0 0 "[ . 1 . 2]" 1
393 1 73 MET HA 1 76 LEU H . . 4.280 3.723 3.460 3.879 . 0 0 "[ . 1 . 2]" 1
394 1 57 ILE MG 1 76 LEU H . . 5.500 5.110 4.696 5.456 . 0 0 "[ . 1 . 2]" 1
395 1 76 LEU H 1 76 LEU HB3 . . 3.510 3.211 2.997 3.479 . 0 0 "[ . 1 . 2]" 1
396 1 76 LEU H 1 76 LEU HB2 . . 3.510 2.086 2.048 2.160 . 0 0 "[ . 1 . 2]" 1
397 1 76 LEU H 1 76 LEU HG . . 4.550 4.366 3.953 4.592 0.042 6 0 "[ . 1 . 2]" 1
398 1 76 LEU H 1 76 LEU MD2 . . 4.230 2.945 2.337 3.392 . 0 0 "[ . 1 . 2]" 1
399 1 35 LYS H 1 36 ARG H . . 3.700 2.335 2.112 2.618 . 0 0 "[ . 1 . 2]" 1
400 1 33 ALA HA 1 36 ARG H . . 4.060 3.233 2.955 3.653 . 0 0 "[ . 1 . 2]" 1
401 1 36 ARG H 1 36 ARG HD2 . . 5.500 4.906 4.179 5.525 0.025 18 0 "[ . 1 . 2]" 1
402 1 36 ARG H 1 36 ARG HD3 . . 5.500 5.094 4.824 5.531 0.031 19 0 "[ . 1 . 2]" 1
403 1 35 LYS HB2 1 36 ARG H . . 3.650 3.168 2.697 3.485 . 0 0 "[ . 1 . 2]" 1
404 1 33 ALA H 1 34 LEU HA . . 5.500 5.297 5.217 5.398 . 0 0 "[ . 1 . 2]" 1
405 1 33 ALA H 1 33 ALA MB . . 3.150 2.097 2.059 2.140 . 0 0 "[ . 1 . 2]" 1
406 1 99 THR H 1 100 VAL H . . 4.570 4.236 4.126 4.410 . 0 0 "[ . 1 . 2]" 1
407 1 98 VAL HA 1 99 THR H . . 3.030 2.144 2.139 2.150 . 0 0 "[ . 1 . 2]" 1
408 1 99 THR H 1 99 THR HB . . 3.360 2.887 2.673 3.071 . 0 0 "[ . 1 . 2]" 1
409 1 98 VAL HB 1 99 THR H . . 4.430 4.286 4.186 4.329 . 0 0 "[ . 1 . 2]" 1
410 1 98 VAL MG2 1 99 THR H . . 3.390 2.873 2.687 3.046 . 0 0 "[ . 1 . 2]" 1
411 1 105 ALA HA 1 106 LYS H . . 2.920 2.328 2.141 2.653 . 0 0 "[ . 1 . 2]" 1
412 1 58 ASN HB2 1 59 VAL H . . 4.290 4.240 4.184 4.268 . 0 0 "[ . 1 . 2]" 1
413 1 59 VAL H 1 59 VAL HB . . 3.170 2.685 2.496 2.915 . 0 0 "[ . 1 . 2]" 1
414 1 44 LEU HG 1 59 VAL H . . 4.460 3.978 3.508 4.426 . 0 0 "[ . 1 . 2]" 1
415 1 48 ILE H 1 55 VAL H . . 5.500 5.191 4.670 5.428 . 0 0 "[ . 1 . 2]" 1
416 1 55 VAL H 1 57 ILE H . . 5.500 5.261 4.845 5.504 0.004 14 0 "[ . 1 . 2]" 1
417 1 50 THR HB 1 51 THR H . . 3.910 3.019 2.755 3.140 . 0 0 "[ . 1 . 2]" 1
418 1 44 LEU HG 1 45 SER H . . 3.960 3.714 3.570 3.938 . 0 0 "[ . 1 . 2]" 1
419 1 84 GLN H 1 91 ILE MG . . 5.500 4.447 3.684 5.428 . 0 0 "[ . 1 . 2]" 1
420 1 78 LYS H 1 79 TRP H . . 3.530 2.627 2.540 2.752 . 0 0 "[ . 1 . 2]" 1
421 1 75 ALA MB 1 76 LEU H . . 3.420 2.356 2.234 2.558 . 0 0 "[ . 1 . 2]" 1
422 1 71 GLU HB3 1 72 ALA H . . 3.950 3.691 3.179 3.987 0.037 15 0 "[ . 1 . 2]" 1
423 1 77 LYS HA 1 79 TRP H . . 5.500 3.768 3.588 4.051 . 0 0 "[ . 1 . 2]" 1
424 1 106 LYS H 1 106 LYS HB3 . . 3.980 3.200 2.491 3.754 . 0 0 "[ . 1 . 2]" 1
425 1 100 VAL HA 1 101 GLU H . . 2.780 2.224 2.142 2.316 . 0 0 "[ . 1 . 2]" 1
426 1 25 VAL HB 1 26 GLU H . . 3.660 3.332 2.955 3.882 0.222 2 0 "[ . 1 . 2]" 1
427 1 24 ARG H 1 24 ARG HB3 . . 4.070 3.664 3.555 3.709 . 0 0 "[ . 1 . 2]" 1
428 1 22 LEU H 1 23 TYR H . . 3.330 2.038 1.959 2.135 . 0 0 "[ . 1 . 2]" 1
429 1 81 TYR H 1 81 TYR QD . . 4.450 4.277 4.174 4.356 . 0 0 "[ . 1 . 2]" 1
430 1 80 LYS HA 1 81 TYR H . . 3.210 2.147 2.140 2.161 . 0 0 "[ . 1 . 2]" 1
431 1 81 TYR H 1 81 TYR HB2 . . 3.960 2.557 2.421 2.680 . 0 0 "[ . 1 . 2]" 1
432 1 81 TYR H 1 81 TYR HB3 . . 3.960 3.094 3.044 3.191 . 0 0 "[ . 1 . 2]" 1
433 1 48 ILE MG 1 81 TYR H . . 5.500 5.469 5.078 5.561 0.061 8 0 "[ . 1 . 2]" 1
434 1 73 MET H 1 73 MET HB3 . . 3.410 2.551 2.348 2.765 . 0 0 "[ . 1 . 2]" 1
435 1 73 MET H 1 74 GLN H . . 3.410 2.760 2.665 2.907 . 0 0 "[ . 1 . 2]" 1
436 1 49 ASP HB3 1 50 THR H . . 4.330 3.487 2.855 3.802 . 0 0 "[ . 1 . 2]" 1
437 1 49 ASP HB2 1 50 THR H . . 4.330 4.103 2.566 4.270 . 0 0 "[ . 1 . 2]" 1
438 1 50 THR H 1 51 THR MG . . 4.160 3.900 3.700 3.994 . 0 0 "[ . 1 . 2]" 1
439 1 48 ILE MG 1 50 THR H . . 5.500 4.983 4.815 5.154 . 0 0 "[ . 1 . 2]" 1
440 1 19 ALA HA 1 20 MET H . . 2.990 2.171 2.142 2.177 . 0 0 "[ . 1 . 2]" 1
441 1 19 ALA MB 1 20 MET H . . 3.550 3.437 3.291 3.468 . 0 0 "[ . 1 . 2]" 1
442 1 53 LYS H 1 53 LYS HG2 . . 4.650 4.357 2.485 4.867 0.217 10 0 "[ . 1 . 2]" 1
443 1 46 PHE H 1 97 THR HA . . 3.470 3.256 2.978 3.513 0.043 9 0 "[ . 1 . 2]" 1
444 1 100 VAL H 1 101 GLU H . . 5.500 4.357 4.202 4.559 . 0 0 "[ . 1 . 2]" 1
445 1 45 SER HA 1 98 VAL H . . 4.110 3.718 3.414 3.933 . 0 0 "[ . 1 . 2]" 1
446 1 40 GLY HA3 1 41 PHE H . . 3.270 2.269 2.152 2.715 . 0 0 "[ . 1 . 2]" 1
447 1 77 LYS H 1 79 TRP H . . 4.560 3.718 3.536 3.858 . 0 0 "[ . 1 . 2]" 1
448 1 77 LYS H 1 77 LYS HE2 . . 5.500 4.829 4.187 5.493 . 0 0 "[ . 1 . 2]" 1
449 1 77 LYS H 1 77 LYS HE3 . . 5.500 4.994 4.192 5.529 0.029 16 0 "[ . 1 . 2]" 1
450 1 75 ALA H 1 76 LEU H . . 3.030 2.756 2.637 2.838 . 0 0 "[ . 1 . 2]" 1
451 1 74 GLN H 1 74 GLN HB3 . . 2.940 2.382 2.305 2.497 . 0 0 "[ . 1 . 2]" 1
452 1 66 ARG HA 1 69 GLU H . . 5.500 3.871 3.465 4.442 . 0 0 "[ . 1 . 2]" 1
453 1 43 THR H 1 63 ASN H . . 5.110 4.725 4.314 5.049 . 0 0 "[ . 1 . 2]" 1
454 1 41 PHE H 1 42 VAL H . . 4.650 4.376 4.181 4.496 . 0 0 "[ . 1 . 2]" 1
455 1 45 SER H 1 61 ASP H . . 5.500 5.450 5.248 5.599 0.099 18 0 "[ . 1 . 2]" 1
456 1 43 THR HB 1 61 ASP H . . 3.500 2.670 2.352 2.917 . 0 0 "[ . 1 . 2]" 1
457 1 59 VAL HB 1 61 ASP H . . 4.950 4.734 4.568 4.946 . 0 0 "[ . 1 . 2]" 1
458 1 58 ASN HA 1 59 VAL H . . 3.020 2.142 2.141 2.144 . 0 0 "[ . 1 . 2]" 1
459 1 20 MET H 1 20 MET HG2 . . 4.360 2.754 1.939 4.292 . 0 0 "[ . 1 . 2]" 1
460 1 20 MET H 1 20 MET HG3 . . 4.360 3.268 2.438 3.481 . 0 0 "[ . 1 . 2]" 1
461 1 21 PRO HB2 1 22 LEU H . . 4.020 1.933 1.903 1.952 . 0 0 "[ . 1 . 2]" 1
462 1 44 LEU HA 1 58 ASN H . . 5.500 5.062 4.544 5.340 . 0 0 "[ . 1 . 2]" 1
463 1 58 ASN H 1 59 VAL HA . . 5.500 4.650 4.456 4.803 . 0 0 "[ . 1 . 2]" 1
464 1 50 THR H 1 51 THR H . . 4.090 2.761 2.745 2.826 . 0 0 "[ . 1 . 2]" 1
465 1 50 THR H 1 91 ILE HB . . 5.500 5.363 5.120 5.551 0.051 2 0 "[ . 1 . 2]" 1
466 1 47 THR H 1 55 VAL H . . 3.940 3.299 3.028 3.521 . 0 0 "[ . 1 . 2]" 1
467 1 47 THR H 1 48 ILE H . . 4.590 4.419 4.345 4.501 . 0 0 "[ . 1 . 2]" 1
468 1 46 PHE HA 1 47 THR H . . 3.360 2.421 2.371 2.441 . 0 0 "[ . 1 . 2]" 1
469 1 47 THR H 1 57 ILE HA . . 4.730 4.634 4.367 4.815 0.085 19 0 "[ . 1 . 2]" 1
470 1 47 THR H 1 47 THR HB . . 3.830 3.769 3.737 3.811 . 0 0 "[ . 1 . 2]" 1
471 1 46 PHE HB3 1 47 THR H . . 3.930 3.802 3.743 3.905 . 0 0 "[ . 1 . 2]" 1
472 1 46 PHE HB2 1 47 THR H . . 3.590 2.423 2.362 2.557 . 0 0 "[ . 1 . 2]" 1
473 1 62 ALA MB 1 68 PHE H . . 5.500 4.579 4.325 5.030 . 0 0 "[ . 1 . 2]" 1
474 1 45 SER HA 1 46 PHE H . . 3.130 2.153 2.137 2.178 . 0 0 "[ . 1 . 2]" 1
475 1 44 LEU H 1 44 LEU HB2 . . 3.500 2.386 2.338 2.433 . 0 0 "[ . 1 . 2]" 1
476 1 44 LEU H 1 44 LEU HB3 . . 4.120 3.534 3.478 3.591 . 0 0 "[ . 1 . 2]" 1
477 1 40 GLY H 1 104 ILE HG12 . . 5.500 5.274 5.070 5.563 0.063 15 0 "[ . 1 . 2]" 1
478 1 40 GLY H 1 67 MET HB2 . . 5.500 5.440 4.806 5.711 0.211 11 0 "[ . 1 . 2]" 1
479 1 33 ALA MB 1 34 LEU H . . 3.130 2.794 2.342 2.897 . 0 0 "[ . 1 . 2]" 1
480 1 28 VAL MG2 1 29 TYR H . . 3.530 2.344 1.951 2.943 . 0 0 "[ . 1 . 2]" 1
481 1 20 MET H 1 81 TYR QD . . 5.500 5.106 4.875 5.422 . 0 0 "[ . 1 . 2]" 1
482 1 22 LEU H 1 81 TYR QD . . 5.500 5.059 4.582 5.299 . 0 0 "[ . 1 . 2]" 1
483 1 18 GLN H 1 19 ALA H . . 5.140 4.262 2.641 4.612 . 0 0 "[ . 1 . 2]" 1
484 1 102 PHE H 1 103 LYS H . . 5.230 4.352 4.109 4.636 . 0 0 "[ . 1 . 2]" 1
485 1 93 GLN HA 1 95 GLY H . . 4.090 3.323 3.198 3.893 . 0 0 "[ . 1 . 2]" 1
486 1 94 PRO HD2 1 95 GLY H . . 3.250 2.843 2.650 2.893 . 0 0 "[ . 1 . 2]" 1
487 1 91 ILE HB 1 92 GLU H . . 3.030 2.559 2.475 2.738 . 0 0 "[ . 1 . 2]" 1
488 1 90 ALA HA 1 91 ILE H . . 3.020 2.707 2.633 2.741 . 0 0 "[ . 1 . 2]" 1
489 1 85 ILE HG12 1 91 ILE H . . 3.630 2.403 2.141 2.623 . 0 0 "[ . 1 . 2]" 1
490 1 90 ALA MB 1 91 ILE H . . 3.770 2.074 1.962 2.196 . 0 0 "[ . 1 . 2]" 1
491 1 85 ILE HG13 1 91 ILE H . . 4.180 3.857 3.642 4.191 0.011 6 0 "[ . 1 . 2]" 1
492 1 91 ILE H 1 91 ILE MG . . 4.520 3.870 3.844 3.926 . 0 0 "[ . 1 . 2]" 1
493 1 68 PHE HA 1 72 ALA H . . 4.830 4.178 4.050 4.339 . 0 0 "[ . 1 . 2]" 1
494 1 70 ARG HA 1 72 ALA H . . 4.990 4.436 4.138 4.765 . 0 0 "[ . 1 . 2]" 1
495 1 69 GLU H 1 71 GLU H . . 5.500 4.363 3.918 4.717 . 0 0 "[ . 1 . 2]" 1
496 1 22 LEU HB3 1 82 GLN H . . 5.500 4.778 4.433 5.095 . 0 0 "[ . 1 . 2]" 1
497 1 26 GLU H 1 79 TRP HZ2 . . 5.500 4.434 4.109 5.012 . 0 0 "[ . 1 . 2]" 1
498 1 101 GLU H 1 102 PHE QD . . 5.500 4.736 4.487 5.045 . 0 0 "[ . 1 . 2]" 1
499 1 25 VAL HA 1 26 GLU H . . 3.460 2.869 2.154 3.507 0.047 10 0 "[ . 1 . 2]" 1
500 1 26 GLU H 1 27 PRO HD2 . . 5.080 4.742 4.647 4.805 . 0 0 "[ . 1 . 2]" 1
501 1 26 GLU H 1 27 PRO HD3 . . 5.150 4.738 4.407 5.024 . 0 0 "[ . 1 . 2]" 1
502 1 45 SER H 1 59 VAL H . . 5.140 4.472 4.382 4.575 . 0 0 "[ . 1 . 2]" 1
503 1 58 ASN H 1 59 VAL H . . 5.360 4.107 3.950 4.204 . 0 0 "[ . 1 . 2]" 1
504 1 44 LEU HB3 1 60 VAL H . . 5.500 5.451 5.251 5.550 0.050 8 0 "[ . 1 . 2]" 1
505 1 60 VAL H 1 62 ALA MB . . 5.500 5.047 4.821 5.392 . 0 0 "[ . 1 . 2]" 1
506 1 17 GLN HA 1 18 GLN H . . 3.250 2.574 2.141 3.552 0.302 20 0 "[ . 1 . 2]" 1
507 1 85 ILE H 1 86 VAL HA . . 5.500 5.348 5.076 5.498 . 0 0 "[ . 1 . 2]" 1
508 1 101 GLU HA 1 102 PHE H . . 3.500 2.226 2.138 2.366 . 0 0 "[ . 1 . 2]" 1
509 1 72 ALA H 1 72 ALA MB . . 3.100 2.185 2.047 2.246 . 0 0 "[ . 1 . 2]" 1
510 1 73 MET HB3 1 75 ALA H . . 4.700 4.681 4.601 4.747 0.047 4 0 "[ . 1 . 2]" 1
511 1 58 ASN H 1 58 ASN HD21 . . 5.500 4.137 4.033 4.648 . 0 0 "[ . 1 . 2]" 1
512 1 58 ASN H 1 58 ASN HD22 . . 5.500 5.525 5.459 5.705 0.205 16 0 "[ . 1 . 2]" 1
513 1 16 ASN HA 1 16 ASN HD21 . . 4.440 3.302 2.122 4.152 . 0 0 "[ . 1 . 2]" 1
514 1 16 ASN HA 1 16 ASN HD22 . . 4.440 4.037 3.399 4.441 0.001 18 0 "[ . 1 . 2]" 1
515 1 40 GLY HA3 1 63 ASN HD21 . . 5.500 5.257 4.135 5.812 0.312 14 0 "[ . 1 . 2]" 1
516 1 44 LEU HG 1 58 ASN H . . 5.500 4.750 4.346 5.064 . 0 0 "[ . 1 . 2]" 1
517 1 57 ILE HG12 1 58 ASN H . . 5.500 4.875 4.640 5.067 . 0 0 "[ . 1 . 2]" 1
518 1 68 PHE H 1 69 GLU HA . . 5.500 4.380 4.172 4.526 . 0 0 "[ . 1 . 2]" 1
519 1 40 GLY H 1 67 MET HB3 . . 5.500 5.449 4.870 5.633 0.133 17 0 "[ . 1 . 2]" 1
520 1 19 ALA H 1 48 ILE MD . . 5.500 5.049 4.524 5.541 0.041 17 0 "[ . 1 . 2]" 1
521 1 28 VAL H 1 102 PHE QE . . 5.500 5.474 5.335 5.564 0.064 20 0 "[ . 1 . 2]" 1
522 1 43 THR H 1 62 ALA H . . 5.500 4.595 4.339 4.726 . 0 0 "[ . 1 . 2]" 1
523 1 87 ASP HB2 1 88 GLY H . . 5.500 4.409 3.260 4.566 . 0 0 "[ . 1 . 2]" 1
524 1 87 ASP HB3 1 88 GLY H . . 5.500 4.030 3.696 4.373 . 0 0 "[ . 1 . 2]" 1
525 1 86 VAL MG1 1 88 GLY H . . 5.500 4.351 4.255 4.745 . 0 0 "[ . 1 . 2]" 1
526 1 86 VAL MG2 1 88 GLY H . . 5.500 4.969 4.853 5.214 . 0 0 "[ . 1 . 2]" 1
527 1 88 GLY H 1 89 LYS HA . . 5.500 4.555 4.421 4.786 . 0 0 "[ . 1 . 2]" 1
528 1 50 THR HB 1 52 GLY H . . 5.500 4.866 4.695 4.944 . 0 0 "[ . 1 . 2]" 1
529 1 52 GLY H 1 83 PRO HA . . 5.500 3.721 3.424 4.035 . 0 0 "[ . 1 . 2]" 1
530 1 21 PRO HG2 1 79 TRP HD1 . . 5.040 4.836 4.641 5.064 0.024 13 0 "[ . 1 . 2]" 1
531 1 21 PRO HG2 1 79 TRP HE3 . . 4.780 4.776 4.624 4.873 0.093 18 0 "[ . 1 . 2]" 1
532 1 20 MET HA 1 21 PRO HG2 . . 4.880 4.345 4.173 4.470 . 0 0 "[ . 1 . 2]" 1
533 1 21 PRO HG2 1 25 VAL HA . . 4.360 3.784 3.231 4.275 . 0 0 "[ . 1 . 2]" 1
534 1 20 MET HA 1 21 PRO HG3 . . 4.980 4.372 4.317 4.441 . 0 0 "[ . 1 . 2]" 1
535 1 21 PRO HG3 1 24 ARG HB3 . . 4.250 3.754 3.331 4.046 . 0 0 "[ . 1 . 2]" 1
536 1 76 LEU HA 1 79 TRP HD1 . . 5.410 4.821 4.652 4.956 . 0 0 "[ . 1 . 2]" 1
537 1 76 LEU HA 1 79 TRP HH2 . . 5.500 5.205 4.960 5.469 . 0 0 "[ . 1 . 2]" 1
538 1 21 PRO HG2 1 24 ARG HA . . 4.440 4.147 3.916 4.359 . 0 0 "[ . 1 . 2]" 1
539 1 21 PRO HG2 1 79 TRP HB3 . . 4.720 4.112 3.912 4.230 . 0 0 "[ . 1 . 2]" 1
540 1 90 ALA HA 1 91 ILE HG12 . . 5.150 3.542 3.311 4.851 . 0 0 "[ . 1 . 2]" 1
541 1 90 ALA HA 1 91 ILE HG13 . . 5.150 4.726 3.106 4.951 . 0 0 "[ . 1 . 2]" 1
542 1 44 LEU HA 1 44 LEU MD2 . . 4.140 3.797 3.747 3.818 . 0 0 "[ . 1 . 2]" 1
543 1 44 LEU MD2 1 73 MET HB2 . . 3.880 3.217 3.012 3.489 . 0 0 "[ . 1 . 2]" 1
544 1 44 LEU MD2 1 57 ILE MG . . 3.850 2.783 2.189 3.222 . 0 0 "[ . 1 . 2]" 1
545 1 44 LEU MD2 1 76 LEU HG . . 3.400 2.610 2.046 3.032 . 0 0 "[ . 1 . 2]" 1
546 1 44 LEU MD2 1 76 LEU MD2 . . 4.310 2.224 1.926 2.640 . 0 0 "[ . 1 . 2]" 1
547 1 46 PHE QD 1 76 LEU HG . . 4.540 3.484 3.095 4.220 . 0 0 "[ . 1 . 2]" 1
548 1 57 ILE HA 1 76 LEU HG . . 5.120 4.722 4.193 5.162 0.042 4 0 "[ . 1 . 2]" 1
549 1 73 MET HA 1 76 LEU HG . . 5.160 4.845 4.221 5.204 0.044 2 0 "[ . 1 . 2]" 1
550 1 46 PHE HB3 1 76 LEU HG . . 5.350 3.484 2.969 4.071 . 0 0 "[ . 1 . 2]" 1
551 1 46 PHE HB2 1 76 LEU HG . . 5.200 4.698 4.150 5.249 0.049 13 0 "[ . 1 . 2]" 1
552 1 57 ILE MD 1 76 LEU HG . . 2.950 2.162 1.966 2.372 . 0 0 "[ . 1 . 2]" 1
553 1 46 PHE HA 1 57 ILE HA . . 4.680 3.190 2.983 3.372 . 0 0 "[ . 1 . 2]" 1
554 1 46 PHE HA 1 47 THR MG . . 4.100 3.476 3.387 3.637 . 0 0 "[ . 1 . 2]" 1
555 1 92 GLU HA 1 92 GLU HG3 . . 4.020 3.679 3.620 3.778 . 0 0 "[ . 1 . 2]" 1
556 1 67 MET HA 1 67 MET ME . . 3.900 3.316 2.802 3.789 . 0 0 "[ . 1 . 2]" 1
557 1 41 PHE HA 1 41 PHE QD . . 4.250 3.717 3.683 3.729 . 0 0 "[ . 1 . 2]" 1
558 1 41 PHE HA 1 102 PHE QD . . 4.260 3.356 2.806 3.959 . 0 0 "[ . 1 . 2]" 1
559 1 41 PHE HA 1 101 GLU HA . . 3.710 2.257 1.990 2.598 . 0 0 "[ . 1 . 2]" 1
560 1 41 PHE HA 1 102 PHE HB2 . . 4.860 3.615 3.001 4.426 . 0 0 "[ . 1 . 2]" 1
561 1 63 ASN HA 1 64 PRO HG3 . . 5.500 4.587 4.513 4.652 . 0 0 "[ . 1 . 2]" 1
562 1 80 LYS HA 1 81 TYR QD . . 5.500 5.539 5.410 5.637 0.137 16 0 "[ . 1 . 2]" 1
563 1 79 TRP HA 1 80 LYS HA . . 4.710 4.461 4.412 4.505 . 0 0 "[ . 1 . 2]" 1
564 1 80 LYS HA 1 81 TYR HB3 . . 5.500 5.157 5.081 5.292 . 0 0 "[ . 1 . 2]" 1
565 1 79 TRP HB3 1 80 LYS HA . . 5.430 4.197 4.094 4.301 . 0 0 "[ . 1 . 2]" 1
566 1 80 LYS HA 1 81 TYR HB2 . . 5.500 4.177 4.115 4.217 . 0 0 "[ . 1 . 2]" 1
567 1 23 TYR HB3 1 80 LYS HA . . 5.500 5.523 5.374 5.593 0.093 16 0 "[ . 1 . 2]" 1
568 1 45 SER HA 1 46 PHE QD . . 4.750 3.255 3.137 3.397 . 0 0 "[ . 1 . 2]" 1
569 1 45 SER HA 1 97 THR HA . . 3.250 2.501 2.327 2.767 . 0 0 "[ . 1 . 2]" 1
570 1 45 SER HA 1 97 THR MG . . 3.460 2.544 1.977 3.197 . 0 0 "[ . 1 . 2]" 1
571 1 84 GLN HA 1 85 ILE HG13 . . 4.320 3.844 3.670 3.959 . 0 0 "[ . 1 . 2]" 1
572 1 84 GLN HA 1 91 ILE MD . . 5.040 3.857 2.908 4.416 . 0 0 "[ . 1 . 2]" 1
573 1 22 LEU HG 1 81 TYR QD . . 5.330 4.586 4.313 4.815 . 0 0 "[ . 1 . 2]" 1
574 1 22 LEU HG 1 81 TYR HA . . 3.640 3.009 2.769 3.197 . 0 0 "[ . 1 . 2]" 1
575 1 22 LEU HG 1 23 TYR HB3 . . 5.500 5.497 5.231 5.555 0.055 18 0 "[ . 1 . 2]" 1
576 1 22 LEU HG 1 23 TYR HB2 . . 5.130 5.011 4.450 5.154 0.024 15 0 "[ . 1 . 2]" 1
577 1 22 LEU HG 1 82 GLN HB2 . . 4.600 3.604 3.172 3.954 . 0 0 "[ . 1 . 2]" 1
578 1 22 LEU HG 1 82 GLN HB3 . . 4.600 4.151 3.608 4.624 0.024 12 0 "[ . 1 . 2]" 1
579 1 29 TYR QE 1 34 LEU MD1 . . 5.170 3.044 1.970 4.564 . 0 0 "[ . 1 . 2]" 1
580 1 34 LEU HA 1 34 LEU MD1 . . 4.200 3.114 2.204 4.011 . 0 0 "[ . 1 . 2]" 1
581 1 29 TYR HB3 1 34 LEU MD1 . . 4.490 3.029 1.889 4.537 0.047 17 0 "[ . 1 . 2]" 1
582 1 103 LYS HA 1 104 ILE HG12 . . 4.700 3.751 3.383 3.940 . 0 0 "[ . 1 . 2]" 1
583 1 26 GLU HA 1 27 PRO HG2 . . 4.800 4.581 4.534 4.627 . 0 0 "[ . 1 . 2]" 1
584 1 33 ALA HA 1 68 PHE QE . . 5.500 3.811 3.536 4.257 . 0 0 "[ . 1 . 2]" 1
585 1 33 ALA HA 1 68 PHE HZ . . 5.500 5.451 5.200 5.561 0.061 8 0 "[ . 1 . 2]" 1
586 1 24 ARG HA 1 24 ARG HD2 . . 5.500 3.458 3.065 3.943 . 0 0 "[ . 1 . 2]" 1
587 1 21 PRO HB2 1 24 ARG HA . . 5.500 5.469 5.383 5.553 0.053 13 0 "[ . 1 . 2]" 1
588 1 44 LEU HA 1 59 VAL MG1 . . 4.190 3.621 2.882 4.582 0.392 19 0 "[ . 1 . 2]" 1
589 1 44 LEU HA 1 59 VAL MG2 . . 4.190 3.240 2.942 3.476 . 0 0 "[ . 1 . 2]" 1
590 1 44 LEU HA 1 44 LEU HG . . 3.150 2.540 2.400 2.612 . 0 0 "[ . 1 . 2]" 1
591 1 29 TYR QE 1 34 LEU MD2 . . 5.170 4.167 1.913 5.084 . 0 0 "[ . 1 . 2]" 1
592 1 29 TYR HB3 1 34 LEU MD2 . . 4.490 4.247 2.974 4.642 0.152 16 0 "[ . 1 . 2]" 1
593 1 96 GLN HA 1 96 GLN HG2 . . 4.010 3.430 2.538 3.844 . 0 0 "[ . 1 . 2]" 1
594 1 48 ILE MD 1 96 GLN HA . . 4.960 4.957 4.795 5.074 0.114 12 0 "[ . 1 . 2]" 1
595 1 62 ALA MB 1 68 PHE QD . . 5.440 4.230 3.542 4.709 . 0 0 "[ . 1 . 2]" 1
596 1 61 ASP HA 1 62 ALA MB . . 4.640 3.923 3.794 4.000 . 0 0 "[ . 1 . 2]" 1
597 1 62 ALA MB 1 69 GLU HG2 . . 3.990 3.385 2.979 3.674 . 0 0 "[ . 1 . 2]" 1
598 1 62 ALA MB 1 69 GLU HG3 . . 3.990 2.084 1.904 2.416 . 0 0 "[ . 1 . 2]" 1
599 1 44 LEU HA 1 44 LEU MD1 . . 4.200 2.308 2.122 2.556 . 0 0 "[ . 1 . 2]" 1
600 1 42 VAL HA 1 44 LEU MD1 . . 4.080 3.851 3.638 4.095 0.015 15 0 "[ . 1 . 2]" 1
601 1 43 THR HB 1 44 LEU MD1 . . 4.700 4.292 4.180 4.410 . 0 0 "[ . 1 . 2]" 1
602 1 44 LEU MD1 1 73 MET HA . . 4.500 3.669 3.461 4.112 . 0 0 "[ . 1 . 2]" 1
603 1 44 LEU MD1 1 69 GLU HG2 . . 4.150 3.940 3.512 4.166 0.016 9 0 "[ . 1 . 2]" 1
604 1 44 LEU MD1 1 72 ALA MB . . 2.910 2.410 2.077 2.839 . 0 0 "[ . 1 . 2]" 1
605 1 22 LEU MD1 1 81 TYR HA . . 5.060 3.767 3.603 4.024 . 0 0 "[ . 1 . 2]" 1
606 1 22 LEU MD2 1 81 TYR HA . . 5.060 3.894 3.602 4.165 . 0 0 "[ . 1 . 2]" 1
607 1 21 PRO HA 1 22 LEU MD1 . . 5.500 4.377 4.196 4.835 . 0 0 "[ . 1 . 2]" 1
608 1 21 PRO HA 1 22 LEU MD2 . . 5.500 4.908 4.705 5.113 . 0 0 "[ . 1 . 2]" 1
609 1 46 PHE HZ 1 76 LEU MD1 . . 4.960 3.179 2.698 3.515 . 0 0 "[ . 1 . 2]" 1
610 1 76 LEU MD2 1 79 TRP HH2 . . 3.760 3.357 3.062 3.767 0.007 1 0 "[ . 1 . 2]" 1
611 1 46 PHE QD 1 76 LEU MD1 . . 4.350 2.834 2.648 3.034 . 0 0 "[ . 1 . 2]" 1
612 1 54 ALA HA 1 76 LEU MD1 . . 4.990 4.867 4.511 5.017 0.027 9 0 "[ . 1 . 2]" 1
613 1 21 PRO HD3 1 76 LEU MD2 . . 5.500 4.720 4.368 5.008 . 0 0 "[ . 1 . 2]" 1
614 1 76 LEU MD1 1 77 LYS HA . . 5.500 4.259 3.571 5.111 . 0 0 "[ . 1 . 2]" 1
615 1 73 MET HA 1 76 LEU MD2 . . 5.500 4.427 3.748 4.995 . 0 0 "[ . 1 . 2]" 1
616 1 76 LEU MD1 1 79 TRP HB2 . . 4.060 3.199 2.815 3.608 . 0 0 "[ . 1 . 2]" 1
617 1 46 PHE HB3 1 76 LEU MD1 . . 4.520 3.304 2.647 3.508 . 0 0 "[ . 1 . 2]" 1
618 1 76 LEU MD1 1 79 TRP HB3 . . 5.140 4.015 3.682 4.376 . 0 0 "[ . 1 . 2]" 1
619 1 76 LEU HA 1 76 LEU MD1 . . 3.470 2.047 1.926 2.239 . 0 0 "[ . 1 . 2]" 1
620 1 76 LEU HA 1 76 LEU MD2 . . 3.860 2.303 2.006 2.491 . 0 0 "[ . 1 . 2]" 1
621 1 72 ALA MB 1 76 LEU MD2 . . 4.420 3.994 3.290 4.437 0.017 3 0 "[ . 1 . 2]" 1
622 1 76 LEU MD2 1 98 VAL MG1 . . 4.230 2.135 1.798 2.560 . 0 0 "[ . 1 . 2]" 1
623 1 54 ALA MB 1 76 LEU MD1 . . 3.130 2.755 2.430 3.011 . 0 0 "[ . 1 . 2]" 1
624 1 48 ILE MD 1 76 LEU MD1 . . 5.290 4.884 4.470 5.226 . 0 0 "[ . 1 . 2]" 1
625 1 61 ASP HB3 1 62 ALA HA . . 4.550 4.148 3.968 4.278 . 0 0 "[ . 1 . 2]" 1
626 1 27 PRO HD2 1 100 VAL MG1 . . 4.290 3.237 2.234 3.904 . 0 0 "[ . 1 . 2]" 1
627 1 27 PRO HD3 1 100 VAL MG1 . . 4.200 2.837 2.053 3.400 . 0 0 "[ . 1 . 2]" 1
628 1 19 ALA HA 1 81 TYR QD . . 5.500 5.513 5.377 5.571 0.071 2 0 "[ . 1 . 2]" 1
629 1 19 ALA HA 1 20 MET HA . . 5.500 4.388 4.370 4.405 . 0 0 "[ . 1 . 2]" 1
630 1 19 ALA HA 1 20 MET HG2 . . 5.500 4.434 3.876 5.552 0.052 4 0 "[ . 1 . 2]" 1
631 1 19 ALA HA 1 20 MET HG3 . . 5.500 5.013 3.801 5.550 0.050 10 0 "[ . 1 . 2]" 1
632 1 85 ILE HA 1 90 ALA HA . . 3.510 2.398 1.995 2.888 . 0 0 "[ . 1 . 2]" 1
633 1 85 ILE HG12 1 90 ALA HA . . 4.190 2.953 2.439 3.372 . 0 0 "[ . 1 . 2]" 1
634 1 46 PHE QD 1 98 VAL MG2 . . 5.500 5.495 5.291 5.567 0.067 20 0 "[ . 1 . 2]" 1
635 1 98 VAL HA 1 98 VAL MG2 . . 3.710 2.387 2.321 2.438 . 0 0 "[ . 1 . 2]" 1
636 1 76 LEU MD2 1 98 VAL MG2 . . 4.230 3.392 3.068 3.707 . 0 0 "[ . 1 . 2]" 1
637 1 41 PHE QD 1 43 THR MG . . 4.880 4.425 4.117 4.764 . 0 0 "[ . 1 . 2]" 1
638 1 43 THR HA 1 43 THR MG . . 3.280 2.248 2.130 2.402 . 0 0 "[ . 1 . 2]" 1
639 1 43 THR MG 1 99 THR HA . . 3.730 3.128 2.671 3.758 0.028 18 0 "[ . 1 . 2]" 1
640 1 43 THR MG 1 60 VAL HB . . 3.970 3.020 2.597 3.690 . 0 0 "[ . 1 . 2]" 1
641 1 44 LEU MD1 1 59 VAL HA . . 3.640 2.826 2.568 3.039 . 0 0 "[ . 1 . 2]" 1
642 1 47 THR MG 1 94 PRO HA . . 3.520 2.117 1.955 2.357 . 0 0 "[ . 1 . 2]" 1
643 1 47 THR MG 1 94 PRO HD3 . . 5.330 5.155 4.798 5.319 . 0 0 "[ . 1 . 2]" 1
644 1 46 PHE HB2 1 47 THR MG . . 4.870 4.642 4.578 4.750 . 0 0 "[ . 1 . 2]" 1
645 1 82 GLN HA 1 83 PRO HD3 . . 3.580 2.254 2.251 2.271 . 0 0 "[ . 1 . 2]" 1
646 1 82 GLN HA 1 83 PRO HD2 . . 3.270 2.155 2.058 2.209 . 0 0 "[ . 1 . 2]" 1
647 1 30 PRO HD2 1 102 PHE QE . . 4.390 2.762 2.165 3.565 . 0 0 "[ . 1 . 2]" 1
648 1 30 PRO HD2 1 68 PHE QD . . 4.950 3.437 2.910 4.282 . 0 0 "[ . 1 . 2]" 1
649 1 30 PRO HD2 1 102 PHE QD . . 5.170 3.302 2.917 3.513 . 0 0 "[ . 1 . 2]" 1
650 1 30 PRO HD2 1 102 PHE HB3 . . 5.480 5.408 4.825 5.538 0.058 3 0 "[ . 1 . 2]" 1
651 1 29 TYR QD 1 30 PRO HD3 . . 4.570 4.022 3.799 4.169 . 0 0 "[ . 1 . 2]" 1
652 1 30 PRO HD3 1 68 PHE QD . . 4.410 3.317 2.939 3.715 . 0 0 "[ . 1 . 2]" 1
653 1 30 PRO HD3 1 102 PHE QD . . 4.880 3.818 3.020 4.150 . 0 0 "[ . 1 . 2]" 1
654 1 29 TYR HA 1 30 PRO HD3 . . 4.010 2.253 2.250 2.265 . 0 0 "[ . 1 . 2]" 1
655 1 46 PHE HZ 1 98 VAL MG1 . . 4.120 3.919 3.677 3.993 . 0 0 "[ . 1 . 2]" 1
656 1 98 VAL HA 1 98 VAL MG1 . . 3.710 3.181 3.178 3.194 . 0 0 "[ . 1 . 2]" 1
657 1 33 ALA MB 1 68 PHE HZ . . 3.850 3.634 3.394 3.792 . 0 0 "[ . 1 . 2]" 1
658 1 64 PRO QD 1 68 PHE QD . . 4.820 4.503 3.786 4.750 . 0 0 "[ . 1 . 2]" 1
659 1 40 GLY HA2 1 64 PRO QD . . 4.650 3.280 2.598 4.098 . 0 0 "[ . 1 . 2]" 1
660 1 40 GLY HA3 1 64 PRO QD . . 4.480 2.714 2.345 3.180 . 0 0 "[ . 1 . 2]" 1
661 1 64 PRO QD 1 68 PHE HZ . . 5.310 4.364 4.197 4.513 . 0 0 "[ . 1 . 2]" 1
662 1 20 MET HA 1 21 PRO HD2 . . 3.250 2.191 1.974 2.348 . 0 0 "[ . 1 . 2]" 1
663 1 54 ALA MB 1 81 TYR QD . . 5.060 3.937 3.511 4.547 . 0 0 "[ . 1 . 2]" 1
664 1 46 PHE QE 1 54 ALA MB . . 3.550 2.729 1.987 3.109 . 0 0 "[ . 1 . 2]" 1
665 1 46 PHE QD 1 54 ALA MB . . 3.460 2.236 1.919 2.521 . 0 0 "[ . 1 . 2]" 1
666 1 54 ALA MB 1 55 VAL HA . . 4.250 4.073 3.919 4.124 . 0 0 "[ . 1 . 2]" 1
667 1 46 PHE HB3 1 54 ALA MB . . 4.470 4.411 3.806 4.526 0.056 13 0 "[ . 1 . 2]" 1
668 1 19 ALA MB 1 81 TYR QD . . 4.410 4.130 3.659 4.520 0.110 16 0 "[ . 1 . 2]" 1
669 1 19 ALA MB 1 46 PHE HE1 . . 3.610 3.007 2.345 3.479 . 0 0 "[ . 1 . 2]" 1
670 1 85 ILE HA 1 90 ALA MB . . 4.380 3.429 2.755 4.074 . 0 0 "[ . 1 . 2]" 1
671 1 90 ALA MB 1 91 ILE HA . . 4.740 3.964 3.914 4.035 . 0 0 "[ . 1 . 2]" 1
672 1 19 ALA MB 1 48 ILE MG . . 5.340 4.638 4.056 5.310 . 0 0 "[ . 1 . 2]" 1
673 1 90 ALA MB 1 91 ILE MG . . 5.500 4.862 4.835 4.902 . 0 0 "[ . 1 . 2]" 1
674 1 19 ALA MB 1 48 ILE MD . . 2.930 2.204 1.768 2.784 . 0 0 "[ . 1 . 2]" 1
675 1 26 GLU HA 1 27 PRO HD2 . . 3.310 2.484 2.426 2.540 . 0 0 "[ . 1 . 2]" 1
676 1 26 GLU HA 1 27 PRO HD3 . . 3.580 2.334 2.308 2.363 . 0 0 "[ . 1 . 2]" 1
677 1 72 ALA MB 1 102 PHE QE . . 3.960 3.824 2.976 4.025 0.065 19 0 "[ . 1 . 2]" 1
678 1 72 ALA MB 1 102 PHE HZ . . 4.030 3.782 3.207 4.085 0.055 17 0 "[ . 1 . 2]" 1
679 1 68 PHE QD 1 72 ALA MB . . 5.000 4.968 4.719 5.110 0.110 19 0 "[ . 1 . 2]" 1
680 1 69 GLU HA 1 72 ALA MB . . 3.860 2.661 2.296 3.122 . 0 0 "[ . 1 . 2]" 1
681 1 68 PHE HB2 1 72 ALA MB . . 4.310 3.611 3.397 3.733 . 0 0 "[ . 1 . 2]" 1
682 1 68 PHE HB3 1 72 ALA MB . . 4.310 4.311 4.097 4.372 0.062 3 0 "[ . 1 . 2]" 1
683 1 69 GLU HG3 1 72 ALA MB . . 4.810 4.480 3.888 4.830 0.020 12 0 "[ . 1 . 2]" 1
684 1 44 LEU MD2 1 72 ALA MB . . 2.980 2.560 2.342 2.759 . 0 0 "[ . 1 . 2]" 1
685 1 48 ILE MG 1 81 TYR QD . . 3.930 3.573 3.120 3.892 . 0 0 "[ . 1 . 2]" 1
686 1 46 PHE QE 1 48 ILE MG . . 4.900 3.984 3.698 4.449 . 0 0 "[ . 1 . 2]" 1
687 1 48 ILE MG 1 81 TYR QE . . 5.360 4.159 3.800 4.632 . 0 0 "[ . 1 . 2]" 1
688 1 48 ILE MG 1 54 ALA HA . . 4.310 3.909 3.111 4.188 . 0 0 "[ . 1 . 2]" 1
689 1 48 ILE HA 1 48 ILE MG . . 3.140 2.388 2.333 2.430 . 0 0 "[ . 1 . 2]" 1
690 1 48 ILE MG 1 52 GLY HA2 . . 3.240 2.661 2.147 2.825 . 0 0 "[ . 1 . 2]" 1
691 1 48 ILE MG 1 81 TYR HB3 . . 4.290 3.131 2.892 3.301 . 0 0 "[ . 1 . 2]" 1
692 1 48 ILE MD 1 48 ILE MG . . 3.030 1.970 1.884 2.313 . 0 0 "[ . 1 . 2]" 1
693 1 90 ALA HA 1 91 ILE MG . . 5.230 5.151 5.121 5.230 . 0 0 "[ . 1 . 2]" 1
694 1 91 ILE HA 1 91 ILE MG . . 3.280 1.985 1.960 2.039 . 0 0 "[ . 1 . 2]" 1
695 1 27 PRO HA 1 75 ALA MB . . 3.030 2.848 2.777 2.927 . 0 0 "[ . 1 . 2]" 1
696 1 72 ALA HA 1 75 ALA MB . . 3.310 2.490 2.039 2.729 . 0 0 "[ . 1 . 2]" 1
697 1 85 ILE MG 1 90 ALA HA . . 3.820 2.767 2.501 3.149 . 0 0 "[ . 1 . 2]" 1
698 1 85 ILE HA 1 85 ILE MG . . 3.200 2.323 2.209 2.370 . 0 0 "[ . 1 . 2]" 1
699 1 85 ILE MG 1 90 ALA MB . . 3.170 2.121 1.911 2.308 . 0 0 "[ . 1 . 2]" 1
700 1 37 GLY HA3 1 104 ILE HB . . 5.500 5.067 3.995 5.513 0.013 6 0 "[ . 1 . 2]" 1
701 1 37 GLY HA2 1 104 ILE HB . . 5.500 3.461 2.537 3.857 . 0 0 "[ . 1 . 2]" 1
702 1 40 GLY HA3 1 41 PHE QD . . 5.240 4.114 3.624 4.803 . 0 0 "[ . 1 . 2]" 1
703 1 40 GLY HA3 1 68 PHE HZ . . 4.370 3.730 2.919 4.011 . 0 0 "[ . 1 . 2]" 1
704 1 40 GLY HA3 1 68 PHE QD . . 5.500 3.843 3.539 4.133 . 0 0 "[ . 1 . 2]" 1
705 1 40 GLY HA2 1 68 PHE HZ . . 5.080 4.819 4.196 5.084 0.004 16 0 "[ . 1 . 2]" 1
706 1 48 ILE HB 1 52 GLY HA2 . . 5.500 5.393 4.797 5.524 0.024 7 0 "[ . 1 . 2]" 1
707 1 52 GLY HA2 1 83 PRO HG3 . . 5.500 5.190 4.919 5.539 0.039 6 0 "[ . 1 . 2]" 1
708 1 46 PHE HA 1 57 ILE MD . . 4.110 3.704 3.431 3.960 . 0 0 "[ . 1 . 2]" 1
709 1 57 ILE HA 1 57 ILE MD . . 3.600 2.001 1.925 2.107 . 0 0 "[ . 1 . 2]" 1
710 1 57 ILE MD 1 73 MET HA . . 4.440 4.234 3.620 4.510 0.070 1 0 "[ . 1 . 2]" 1
711 1 46 PHE HB3 1 57 ILE MD . . 4.130 1.912 1.862 2.002 . 0 0 "[ . 1 . 2]" 1
712 1 46 PHE HB2 1 57 ILE MD . . 3.480 2.474 2.173 2.810 . 0 0 "[ . 1 . 2]" 1
713 1 57 ILE MD 1 57 ILE MG . . 3.750 2.057 1.978 2.084 . 0 0 "[ . 1 . 2]" 1
714 1 57 ILE HB 1 57 ILE MD . . 3.240 3.222 3.215 3.227 . 0 0 "[ . 1 . 2]" 1
715 1 44 LEU HB3 1 57 ILE MD . . 3.470 3.403 3.107 3.587 0.117 15 0 "[ . 1 . 2]" 1
716 1 57 ILE MD 1 76 LEU MD1 . . 4.680 1.948 1.807 2.178 . 0 0 "[ . 1 . 2]" 1
717 1 44 LEU HB3 1 76 LEU HG . . 5.500 2.964 2.835 3.057 . 0 0 "[ . 1 . 2]" 1
718 1 44 LEU HB2 1 76 LEU HG . . 4.870 3.676 3.439 3.910 . 0 0 "[ . 1 . 2]" 1
719 1 85 ILE MD 1 90 ALA HA . . 5.160 4.376 3.776 4.792 . 0 0 "[ . 1 . 2]" 1
720 1 85 ILE HA 1 85 ILE MD . . 3.940 3.856 3.830 3.878 . 0 0 "[ . 1 . 2]" 1
721 1 84 GLN HA 1 85 ILE MD . . 5.290 4.999 4.814 5.150 . 0 0 "[ . 1 . 2]" 1
722 1 85 ILE MD 1 90 ALA MB . . 3.470 3.288 2.938 3.481 0.011 18 0 "[ . 1 . 2]" 1
723 1 46 PHE HZ 1 48 ILE MD . . 4.750 3.117 2.143 3.495 . 0 0 "[ . 1 . 2]" 1
724 1 48 ILE MD 1 81 TYR QD . . 3.900 3.143 2.842 3.364 . 0 0 "[ . 1 . 2]" 1
725 1 46 PHE QD 1 48 ILE MD . . 4.380 4.301 4.023 4.457 0.077 13 0 "[ . 1 . 2]" 1
726 1 19 ALA HA 1 48 ILE MD . . 4.400 3.806 3.222 4.285 . 0 0 "[ . 1 . 2]" 1
727 1 21 PRO HA 1 48 ILE MD . . 5.500 5.536 5.502 5.605 0.105 20 0 "[ . 1 . 2]" 1
728 1 48 ILE MD 1 81 TYR HB2 . . 4.900 4.328 3.901 4.684 . 0 0 "[ . 1 . 2]" 1
729 1 48 ILE MD 1 81 TYR HB3 . . 4.900 4.277 3.756 4.625 . 0 0 "[ . 1 . 2]" 1
730 1 48 ILE MD 1 96 GLN HG2 . . 4.000 2.459 1.936 3.556 . 0 0 "[ . 1 . 2]" 1
731 1 48 ILE HB 1 48 ILE MD . . 3.170 2.408 2.165 2.470 . 0 0 "[ . 1 . 2]" 1
732 1 48 ILE MD 1 96 GLN HB2 . . 4.290 3.339 3.065 3.809 . 0 0 "[ . 1 . 2]" 1
733 1 41 PHE HZ 1 61 ASP HB3 . . 3.560 3.367 2.332 3.581 0.021 2 0 "[ . 1 . 2]" 1
734 1 60 VAL HB 1 61 ASP HB3 . . 5.500 4.727 4.247 5.114 . 0 0 "[ . 1 . 2]" 1
735 1 43 THR MG 1 61 ASP HB3 . . 4.580 4.388 3.560 4.599 0.019 18 0 "[ . 1 . 2]" 1
736 1 41 PHE HZ 1 61 ASP HB2 . . 5.170 4.766 3.938 5.102 . 0 0 "[ . 1 . 2]" 1
737 1 43 THR HB 1 61 ASP HB2 . . 4.200 3.620 2.829 4.032 . 0 0 "[ . 1 . 2]" 1
738 1 43 THR MG 1 61 ASP HB2 . . 4.680 4.265 3.625 4.688 0.008 17 0 "[ . 1 . 2]" 1
739 1 22 LEU HB2 1 23 TYR HA . . 5.500 4.517 4.461 4.571 . 0 0 "[ . 1 . 2]" 1
740 1 29 TYR QD 1 104 ILE MD . . 5.330 4.295 3.591 5.312 . 0 0 "[ . 1 . 2]" 1
741 1 29 TYR QE 1 104 ILE MD . . 4.070 2.634 1.909 4.071 0.001 15 0 "[ . 1 . 2]" 1
742 1 103 LYS HA 1 104 ILE MD . . 4.360 4.140 3.671 4.377 0.017 12 0 "[ . 1 . 2]" 1
743 1 39 GLU HA 1 104 ILE MD . . 4.340 3.655 3.351 3.932 . 0 0 "[ . 1 . 2]" 1
744 1 104 ILE HA 1 104 ILE MD . . 2.950 2.072 1.962 2.174 . 0 0 "[ . 1 . 2]" 1
745 1 30 PRO HG2 1 104 ILE MD . . 5.140 4.713 3.661 4.999 . 0 0 "[ . 1 . 2]" 1
746 1 38 VAL HB 1 104 ILE MD . . 5.370 4.977 4.065 5.390 0.020 13 0 "[ . 1 . 2]" 1
747 1 21 PRO HG2 1 24 ARG HD2 . . 5.500 4.813 4.073 5.237 . 0 0 "[ . 1 . 2]" 1
748 1 21 PRO HB2 1 24 ARG HD2 . . 5.500 4.874 4.470 5.097 . 0 0 "[ . 1 . 2]" 1
749 1 24 ARG HB2 1 24 ARG HD2 . . 4.110 2.622 2.450 3.082 . 0 0 "[ . 1 . 2]" 1
750 1 45 SER HB2 1 58 ASN HB3 . . 5.160 4.732 3.316 5.160 . 0 0 "[ . 1 . 2]" 1
751 1 24 ARG HA 1 24 ARG HD3 . . 5.500 4.295 3.932 4.481 . 0 0 "[ . 1 . 2]" 1
752 1 57 ILE MG 1 58 ASN HB2 . . 5.500 4.850 4.512 5.112 . 0 0 "[ . 1 . 2]" 1
753 1 57 ILE MG 1 58 ASN HB3 . . 5.500 4.994 4.786 5.176 . 0 0 "[ . 1 . 2]" 1
754 1 21 PRO HG2 1 24 ARG HD3 . . 5.500 4.903 3.862 5.429 . 0 0 "[ . 1 . 2]" 1
755 1 21 PRO HG3 1 24 ARG HD3 . . 5.090 4.461 3.675 4.811 . 0 0 "[ . 1 . 2]" 1
756 1 21 PRO HB2 1 24 ARG HD3 . . 5.500 5.129 4.223 5.539 0.039 18 0 "[ . 1 . 2]" 1
757 1 24 ARG HB2 1 24 ARG HD3 . . 4.110 2.359 2.126 2.643 . 0 0 "[ . 1 . 2]" 1
758 1 36 ARG HA 1 36 ARG HD2 . . 5.110 4.093 3.166 4.652 . 0 0 "[ . 1 . 2]" 1
759 1 36 ARG HA 1 36 ARG HD3 . . 5.110 3.763 3.094 4.849 . 0 0 "[ . 1 . 2]" 1
760 1 29 TYR QE 1 34 LEU HB3 . . 5.500 4.708 3.473 5.270 . 0 0 "[ . 1 . 2]" 1
761 1 29 TYR QD 1 34 LEU HB2 . . 4.760 2.363 1.997 2.923 . 0 0 "[ . 1 . 2]" 1
762 1 29 TYR QE 1 34 LEU HB2 . . 5.500 3.423 2.152 4.398 . 0 0 "[ . 1 . 2]" 1
763 1 83 PRO HB3 1 91 ILE HB . . 5.160 5.033 4.718 5.192 0.032 14 0 "[ . 1 . 2]" 1
764 1 85 ILE HG12 1 91 ILE HB . . 4.450 4.078 3.727 4.394 . 0 0 "[ . 1 . 2]" 1
765 1 68 PHE HB3 1 102 PHE QE . . 5.500 2.820 2.101 4.000 . 0 0 "[ . 1 . 2]" 1
766 1 23 TYR HB2 1 80 LYS HB2 . . 4.420 3.828 3.002 4.138 . 0 0 "[ . 1 . 2]" 1
767 1 22 LEU HB2 1 23 TYR HB2 . . 4.940 4.811 4.727 4.899 . 0 0 "[ . 1 . 2]" 1
768 1 23 TYR HB3 1 24 ARG HB2 . . 4.060 3.944 3.801 4.085 0.025 19 0 "[ . 1 . 2]" 1
769 1 48 ILE MG 1 81 TYR HB2 . . 4.290 3.817 3.197 4.035 . 0 0 "[ . 1 . 2]" 1
770 1 90 ALA HA 1 91 ILE MD . . 4.100 2.735 2.534 3.045 . 0 0 "[ . 1 . 2]" 1
771 1 85 ILE HA 1 91 ILE MD . . 3.760 2.779 2.461 3.218 . 0 0 "[ . 1 . 2]" 1
772 1 91 ILE HA 1 91 ILE MD . . 4.030 2.482 2.259 3.773 . 0 0 "[ . 1 . 2]" 1
773 1 50 THR HA 1 91 ILE MD . . 5.240 4.824 3.992 5.017 . 0 0 "[ . 1 . 2]" 1
774 1 83 PRO HB2 1 91 ILE MD . . 4.290 3.980 3.274 4.279 . 0 0 "[ . 1 . 2]" 1
775 1 41 PHE QD 1 43 THR HB . . 4.640 4.142 3.836 4.462 . 0 0 "[ . 1 . 2]" 1
776 1 43 THR HB 1 61 ASP HB3 . . 4.080 3.448 2.812 3.791 . 0 0 "[ . 1 . 2]" 1
777 1 43 THR HB 1 60 VAL HB . . 4.510 3.320 2.833 3.844 . 0 0 "[ . 1 . 2]" 1
778 1 46 PHE HB2 1 57 ILE HA . . 4.900 3.204 2.736 3.616 . 0 0 "[ . 1 . 2]" 1
779 1 46 PHE HB2 1 54 ALA MB . . 5.020 3.472 2.801 3.710 . 0 0 "[ . 1 . 2]" 1
780 1 46 PHE HB2 1 57 ILE HG12 . . 4.970 3.541 2.919 4.031 . 0 0 "[ . 1 . 2]" 1
781 1 47 THR HB 1 56 ASP HB2 . . 5.500 5.037 4.286 5.526 0.026 12 0 "[ . 1 . 2]" 1
782 1 47 THR HB 1 56 ASP HB3 . . 5.500 5.064 4.568 5.522 0.022 17 0 "[ . 1 . 2]" 1
783 1 68 PHE QE 1 102 PHE HB2 . . 4.470 3.340 2.818 3.964 . 0 0 "[ . 1 . 2]" 1
784 1 68 PHE QE 1 102 PHE HB3 . . 4.630 3.734 3.298 4.324 . 0 0 "[ . 1 . 2]" 1
785 1 39 GLU HG2 1 103 LYS HA . . 4.100 2.348 1.992 3.137 . 0 0 "[ . 1 . 2]" 1
786 1 39 GLU HG2 1 104 ILE HG12 . . 4.150 2.513 1.986 3.623 . 0 0 "[ . 1 . 2]" 1
787 1 85 ILE HB 1 90 ALA HA . . 5.500 4.822 4.674 5.024 . 0 0 "[ . 1 . 2]" 1
788 1 85 ILE HB 1 90 ALA MB . . 4.560 4.462 4.113 4.581 0.021 17 0 "[ . 1 . 2]" 1
789 1 50 THR HB 1 51 THR MG . . 3.380 3.174 3.003 3.764 0.384 12 0 "[ . 1 . 2]" 1
790 1 92 GLU HA 1 92 GLU HG2 . . 4.020 3.008 2.620 3.869 . 0 0 "[ . 1 . 2]" 1
791 1 85 ILE MD 1 92 GLU HG2 . . 4.840 4.588 3.746 4.901 0.061 12 0 "[ . 1 . 2]" 1
792 1 101 GLU HA 1 101 GLU HG3 . . 4.070 2.691 2.091 3.373 . 0 0 "[ . 1 . 2]" 1
793 1 85 ILE MD 1 92 GLU HG3 . . 4.840 4.112 3.570 4.875 0.035 15 0 "[ . 1 . 2]" 1
794 1 41 PHE HA 1 101 GLU HG2 . . 5.500 4.310 3.701 5.464 . 0 0 "[ . 1 . 2]" 1
795 1 101 GLU HA 1 101 GLU HG2 . . 4.070 2.864 2.362 3.641 . 0 0 "[ . 1 . 2]" 1
796 1 41 PHE HB2 1 101 GLU HG2 . . 5.500 4.349 3.054 5.494 . 0 0 "[ . 1 . 2]" 1
797 1 41 PHE HB3 1 101 GLU HG2 . . 5.500 3.464 2.121 4.673 . 0 0 "[ . 1 . 2]" 1
798 1 103 LYS HB2 1 103 LYS HE2 . . 5.500 3.897 2.171 4.729 . 0 0 "[ . 1 . 2]" 1
799 1 103 LYS HB2 1 103 LYS HE3 . . 5.500 3.696 2.001 4.829 . 0 0 "[ . 1 . 2]" 1
800 1 103 LYS HB3 1 103 LYS HE2 . . 5.500 4.018 2.029 5.284 . 0 0 "[ . 1 . 2]" 1
801 1 103 LYS HB3 1 103 LYS HE3 . . 5.500 3.863 2.087 5.453 . 0 0 "[ . 1 . 2]" 1
802 1 26 GLU HG3 1 27 PRO HD2 . . 4.560 3.463 2.427 4.181 . 0 0 "[ . 1 . 2]" 1
803 1 26 GLU HG2 1 27 PRO HD2 . . 4.560 3.161 2.030 4.484 . 0 0 "[ . 1 . 2]" 1
804 1 46 PHE HZ 1 98 VAL HB . . 5.500 4.058 3.377 4.429 . 0 0 "[ . 1 . 2]" 1
805 1 79 TRP HH2 1 98 VAL HB . . 5.260 5.013 4.542 5.339 0.079 18 0 "[ . 1 . 2]" 1
806 1 46 PHE QE 1 98 VAL HB . . 4.290 2.726 2.438 2.966 . 0 0 "[ . 1 . 2]" 1
807 1 49 ASP HA 1 50 THR HA . . 4.840 4.302 4.292 4.307 . 0 0 "[ . 1 . 2]" 1
808 1 50 THR HA 1 51 THR HA . . 5.360 4.667 4.658 4.709 . 0 0 "[ . 1 . 2]" 1
809 1 71 GLU HA 1 74 GLN HG3 . . 4.980 3.298 3.023 3.715 . 0 0 "[ . 1 . 2]" 1
810 1 74 GLN HG3 1 75 ALA HA . . 5.320 3.215 3.126 3.414 . 0 0 "[ . 1 . 2]" 1
811 1 74 GLN HA 1 74 GLN HG3 . . 3.920 3.713 3.662 3.820 . 0 0 "[ . 1 . 2]" 1
812 1 71 GLU HA 1 74 GLN HG2 . . 4.410 2.073 1.982 2.350 . 0 0 "[ . 1 . 2]" 1
813 1 67 MET HB2 1 67 MET ME . . 3.420 3.265 3.175 3.436 0.016 17 0 "[ . 1 . 2]" 1
814 1 48 ILE MD 1 96 GLN HG3 . . 4.000 2.875 1.926 3.602 . 0 0 "[ . 1 . 2]" 1
815 1 82 GLN HG2 1 83 PRO HD2 . . 4.440 2.889 1.985 3.864 . 0 0 "[ . 1 . 2]" 1
816 1 69 GLU HA 1 69 GLU HG2 . . 4.200 2.698 2.412 2.933 . 0 0 "[ . 1 . 2]" 1
817 1 69 GLU HA 1 69 GLU HG3 . . 4.200 2.702 2.369 3.310 . 0 0 "[ . 1 . 2]" 1
818 1 62 ALA MB 1 69 GLU HA . . 4.410 2.693 2.206 3.312 . 0 0 "[ . 1 . 2]" 1
819 1 44 LEU MD1 1 69 GLU HA . . 3.870 3.872 3.667 3.978 0.108 4 0 "[ . 1 . 2]" 1
820 1 21 PRO HA 1 81 TYR QD . . 4.190 3.175 2.888 3.565 . 0 0 "[ . 1 . 2]" 1
821 1 21 PRO HA 1 81 TYR QE . . 4.530 3.554 3.076 3.826 . 0 0 "[ . 1 . 2]" 1
822 1 44 LEU HB2 1 59 VAL HA . . 5.030 4.671 4.428 4.876 . 0 0 "[ . 1 . 2]" 1
823 1 43 THR MG 1 59 VAL HA . . 5.400 5.136 4.514 5.433 0.033 17 0 "[ . 1 . 2]" 1
824 1 44 LEU HG 1 59 VAL HA . . 3.220 2.745 2.349 3.057 . 0 0 "[ . 1 . 2]" 1
825 1 82 GLN HA 1 83 PRO HA . . 4.670 4.414 4.405 4.433 . 0 0 "[ . 1 . 2]" 1
826 1 83 PRO HA 1 91 ILE HG12 . . 5.500 3.848 1.902 4.357 . 0 0 "[ . 1 . 2]" 1
827 1 83 PRO HA 1 91 ILE HG13 . . 5.500 2.660 1.995 3.642 . 0 0 "[ . 1 . 2]" 1
828 1 24 ARG HB2 1 79 TRP HD1 . . 5.480 2.601 2.190 2.967 . 0 0 "[ . 1 . 2]" 1
829 1 43 THR HA 1 44 LEU MD1 . . 3.740 3.722 3.531 3.803 0.063 17 0 "[ . 1 . 2]" 1
830 1 43 THR HA 1 99 THR HA . . 3.190 2.562 2.460 2.784 . 0 0 "[ . 1 . 2]" 1
831 1 27 PRO HB2 1 102 PHE HZ . . 4.520 2.036 1.964 2.414 . 0 0 "[ . 1 . 2]" 1
832 1 35 LYS HA 1 35 LYS HB3 . . 2.850 2.488 2.374 2.579 . 0 0 "[ . 1 . 2]" 1
833 1 46 PHE QD 1 48 ILE HA . . 5.500 3.941 3.743 4.217 . 0 0 "[ . 1 . 2]" 1
834 1 48 ILE HA 1 48 ILE MD . . 3.860 3.835 3.787 3.870 0.010 12 0 "[ . 1 . 2]" 1
835 1 21 PRO HB3 1 79 TRP HE3 . . 4.850 4.110 3.887 4.320 . 0 0 "[ . 1 . 2]" 1
836 1 21 PRO HB3 1 81 TYR QE . . 5.390 4.702 3.984 5.148 . 0 0 "[ . 1 . 2]" 1
837 1 21 PRO HB3 1 80 LYS HA . . 5.500 4.434 4.234 4.823 . 0 0 "[ . 1 . 2]" 1
838 1 21 PRO HB2 1 23 TYR HA . . 5.050 5.016 5.007 5.030 . 0 0 "[ . 1 . 2]" 1
839 1 21 PRO HB3 1 79 TRP HB3 . . 4.120 2.679 2.438 3.039 . 0 0 "[ . 1 . 2]" 1
840 1 21 PRO HB2 1 24 ARG HB3 . . 5.470 5.288 4.916 5.489 0.019 18 0 "[ . 1 . 2]" 1
841 1 83 PRO HD3 1 84 GLN HG3 . . 5.500 5.345 5.159 5.532 0.032 4 0 "[ . 1 . 2]" 1
842 1 47 THR HA 1 48 ILE HB . . 4.800 4.673 4.572 4.793 . 0 0 "[ . 1 . 2]" 1
843 1 44 LEU HG 1 73 MET HA . . 4.280 3.895 3.576 4.301 0.021 16 0 "[ . 1 . 2]" 1
844 1 44 LEU MD2 1 73 MET HA . . 3.530 1.903 1.863 2.095 . 0 0 "[ . 1 . 2]" 1
845 1 23 TYR H 1 79 TRP HB3 . . 5.500 5.589 5.399 5.655 0.155 3 0 "[ . 1 . 2]" 1
846 1 79 TRP HB3 1 81 TYR QD . . 5.500 4.606 4.366 5.026 . 0 0 "[ . 1 . 2]" 1
847 1 28 VAL MG1 1 71 GLU HA . . 3.680 2.730 2.418 3.029 . 0 0 "[ . 1 . 2]" 1
848 1 46 PHE QE 1 97 THR HA . . 4.570 3.909 3.372 4.291 . 0 0 "[ . 1 . 2]" 1
849 1 46 PHE QD 1 97 THR HA . . 5.030 3.722 3.287 4.133 . 0 0 "[ . 1 . 2]" 1
850 1 97 THR HA 1 97 THR MG . . 3.350 2.316 2.155 2.485 . 0 0 "[ . 1 . 2]" 1
851 1 57 ILE MD 1 77 LYS HA . . 4.780 3.981 3.351 4.791 0.011 8 0 "[ . 1 . 2]" 1
852 1 54 ALA MB 1 77 LYS HA . . 4.250 4.138 3.433 4.271 0.021 15 0 "[ . 1 . 2]" 1
853 1 77 LYS HA 1 77 LYS HE2 . . 5.500 4.557 2.474 5.084 . 0 0 "[ . 1 . 2]" 1
854 1 77 LYS HA 1 77 LYS HE3 . . 5.500 4.672 3.405 5.479 . 0 0 "[ . 1 . 2]" 1
855 1 104 ILE MG 1 105 ALA HA . . 4.380 4.040 3.609 4.211 . 0 0 "[ . 1 . 2]" 1
856 1 104 ILE HA 1 104 ILE MG . . 2.910 2.291 2.208 2.399 . 0 0 "[ . 1 . 2]" 1
857 1 22 LEU HA 1 22 LEU HG . . 4.020 3.637 3.604 3.664 . 0 0 "[ . 1 . 2]" 1
858 1 102 PHE HA 1 102 PHE QD . . 3.830 2.809 2.464 3.063 . 0 0 "[ . 1 . 2]" 1
859 1 29 TYR QE 1 102 PHE HA . . 3.960 3.270 2.699 3.947 . 0 0 "[ . 1 . 2]" 1
860 1 29 TYR QD 1 102 PHE HA . . 5.500 5.268 4.757 5.568 0.068 17 0 "[ . 1 . 2]" 1
861 1 45 SER HA 1 97 THR HB . . 4.100 3.922 3.404 4.114 0.014 8 0 "[ . 1 . 2]" 1
862 1 97 THR MG 1 98 VAL HA . . 5.500 5.492 5.427 5.530 0.030 3 0 "[ . 1 . 2]" 1
863 1 45 SER HB3 1 97 THR MG . . 3.740 3.204 2.363 3.751 0.011 6 0 "[ . 1 . 2]" 1
864 1 96 GLN HA 1 96 GLN HG3 . . 4.010 3.334 2.836 3.774 . 0 0 "[ . 1 . 2]" 1
865 1 96 GLN HA 1 97 THR MG . . 4.730 3.791 3.283 4.334 . 0 0 "[ . 1 . 2]" 1
866 1 78 LYS HA 1 79 TRP HD1 . . 5.500 5.364 5.119 5.548 0.048 3 0 "[ . 1 . 2]" 1
867 1 83 PRO HA 1 91 ILE MG . . 5.090 2.321 2.011 2.928 . 0 0 "[ . 1 . 2]" 1
868 1 83 PRO HB3 1 91 ILE MG . . 3.720 3.183 2.820 3.745 0.025 11 0 "[ . 1 . 2]" 1
869 1 83 PRO HB2 1 91 ILE MG . . 4.740 3.990 3.584 4.758 0.018 11 0 "[ . 1 . 2]" 1
870 1 42 VAL HA 1 62 ALA MB . . 3.200 2.203 1.872 3.220 0.020 8 0 "[ . 1 . 2]" 1
871 1 38 VAL HA 1 67 MET ME . . 4.870 4.724 4.168 5.037 0.167 16 0 "[ . 1 . 2]" 1
872 1 44 LEU HG 1 57 ILE MG . . 3.870 3.422 3.146 3.723 . 0 0 "[ . 1 . 2]" 1
873 1 44 LEU HG 1 76 LEU HG . . 5.040 4.535 4.121 4.879 . 0 0 "[ . 1 . 2]" 1
874 1 104 ILE HA 1 104 ILE HG13 . . 3.950 3.716 3.686 3.754 . 0 0 "[ . 1 . 2]" 1
875 1 48 ILE MD 1 54 ALA MB . . 4.660 4.240 3.272 4.660 0.000 13 0 "[ . 1 . 2]" 1
876 1 48 ILE HA 1 54 ALA MB . . 4.620 3.773 3.297 4.045 . 0 0 "[ . 1 . 2]" 1
877 1 48 ILE HA 1 54 ALA HA . . 4.380 2.623 2.078 2.890 . 0 0 "[ . 1 . 2]" 1
878 1 46 PHE HB3 1 57 ILE HA . . 3.500 2.497 2.165 2.873 . 0 0 "[ . 1 . 2]" 1
879 1 45 SER HB2 1 97 THR MG . . 3.740 2.701 2.083 3.756 0.016 5 0 "[ . 1 . 2]" 1
880 1 45 SER HB3 1 58 ASN HB3 . . 5.160 4.366 3.344 5.171 0.011 13 0 "[ . 1 . 2]" 1
881 1 43 THR MG 1 44 LEU HA . . 4.380 4.075 3.715 4.228 . 0 0 "[ . 1 . 2]" 1
882 1 44 LEU HG 1 76 LEU MD2 . . 5.500 4.502 4.210 4.830 . 0 0 "[ . 1 . 2]" 1
883 1 44 LEU HA 1 76 LEU HG . . 5.500 5.625 5.514 5.716 0.216 11 0 "[ . 1 . 2]" 1
884 1 38 VAL HA 1 104 ILE HG12 . . 4.930 4.455 4.249 4.633 . 0 0 "[ . 1 . 2]" 1
885 1 35 LYS HB2 1 36 ARG HA . . 4.450 4.365 4.221 4.511 0.061 15 0 "[ . 1 . 2]" 1
886 1 34 LEU HA 1 34 LEU MD2 . . 4.200 3.481 1.904 4.127 . 0 0 "[ . 1 . 2]" 1
887 1 100 VAL HA 1 100 VAL MG2 . . 3.430 2.371 2.141 3.191 . 0 0 "[ . 1 . 2]" 1
888 1 85 ILE MG 1 86 VAL HA . . 4.090 3.645 3.409 3.869 . 0 0 "[ . 1 . 2]" 1
889 1 59 VAL HA 1 59 VAL MG1 . . 3.140 2.634 2.196 3.183 0.043 19 0 "[ . 1 . 2]" 1
890 1 59 VAL HA 1 59 VAL MG2 . . 3.140 2.392 2.320 2.449 . 0 0 "[ . 1 . 2]" 1
891 1 52 GLY HA2 1 83 PRO HA . . 5.040 3.431 2.873 3.929 . 0 0 "[ . 1 . 2]" 1
892 1 82 GLN HA 1 83 PRO HB3 . . 4.950 4.832 4.828 4.846 . 0 0 "[ . 1 . 2]" 1
893 1 83 PRO HB3 1 91 ILE MD . . 4.430 3.955 3.647 4.079 . 0 0 "[ . 1 . 2]" 1
894 1 23 TYR HA 1 24 ARG HA . . 4.630 4.513 4.500 4.526 . 0 0 "[ . 1 . 2]" 1
895 1 57 ILE HG13 1 76 LEU HA . . 5.500 5.559 5.506 5.605 0.105 16 0 "[ . 1 . 2]" 1
896 1 28 VAL MG1 1 75 ALA HA . . 3.800 3.489 3.220 3.801 0.001 20 0 "[ . 1 . 2]" 1
897 1 33 ALA HA 1 36 ARG HA . . 5.220 4.651 4.308 5.210 . 0 0 "[ . 1 . 2]" 1
898 1 33 ALA HA 1 67 MET HA . . 5.500 4.640 4.251 5.052 . 0 0 "[ . 1 . 2]" 1
899 1 75 ALA MB 1 79 TRP HD1 . . 4.070 3.687 3.412 3.822 . 0 0 "[ . 1 . 2]" 1
900 1 75 ALA MB 1 79 TRP HE3 . . 5.500 5.103 4.840 5.246 . 0 0 "[ . 1 . 2]" 1
901 1 75 ALA MB 1 102 PHE HZ . . 5.500 5.210 4.898 5.537 0.037 18 0 "[ . 1 . 2]" 1
902 1 28 VAL MG1 1 75 ALA MB . . 3.340 2.131 1.917 2.495 . 0 0 "[ . 1 . 2]" 1
903 1 44 LEU MD2 1 75 ALA MB . . 4.430 4.209 3.946 4.472 0.042 18 0 "[ . 1 . 2]" 1
904 1 74 GLN HA 1 74 GLN HG2 . . 3.860 3.757 3.684 3.807 . 0 0 "[ . 1 . 2]" 1
905 1 72 ALA HA 1 102 PHE QE . . 5.500 5.026 4.601 5.386 . 0 0 "[ . 1 . 2]" 1
906 1 72 ALA HA 1 102 PHE HZ . . 4.740 4.378 3.957 4.707 . 0 0 "[ . 1 . 2]" 1
907 1 27 PRO HB2 1 72 ALA HA . . 3.890 3.424 3.071 3.873 . 0 0 "[ . 1 . 2]" 1
908 1 28 VAL MG1 1 72 ALA HA . . 4.420 3.750 3.198 4.203 . 0 0 "[ . 1 . 2]" 1
909 1 44 LEU MD2 1 72 ALA HA . . 4.450 3.869 3.554 4.391 . 0 0 "[ . 1 . 2]" 1
910 1 27 PRO HB2 1 72 ALA MB . . 4.250 3.667 2.784 4.284 0.034 16 0 "[ . 1 . 2]" 1
911 1 42 VAL HB 1 72 ALA MB . . 4.470 3.188 2.131 3.772 . 0 0 "[ . 1 . 2]" 1
912 1 69 GLU HG2 1 72 ALA MB . . 4.810 4.187 3.876 4.740 . 0 0 "[ . 1 . 2]" 1
913 1 70 ARG HA 1 73 MET HB2 . . 3.910 3.848 3.533 3.957 0.047 18 0 "[ . 1 . 2]" 1
914 1 70 ARG HA 1 73 MET HB3 . . 3.660 2.955 2.578 3.332 . 0 0 "[ . 1 . 2]" 1
915 1 44 LEU MD2 1 69 GLU HA . . 5.180 4.942 4.628 5.189 0.009 19 0 "[ . 1 . 2]" 1
916 1 68 PHE HA 1 68 PHE QD . . 4.060 3.006 2.765 3.412 . 0 0 "[ . 1 . 2]" 1
917 1 67 MET HB2 1 68 PHE QD . . 5.500 3.377 2.792 3.599 . 0 0 "[ . 1 . 2]" 1
918 1 67 MET HB3 1 68 PHE QD . . 5.500 3.403 3.220 3.747 . 0 0 "[ . 1 . 2]" 1
919 1 104 ILE HA 1 105 ALA MB . . 4.950 4.007 3.867 4.147 . 0 0 "[ . 1 . 2]" 1
920 1 29 TYR QE 1 104 ILE HA . . 5.460 3.303 2.944 3.821 . 0 0 "[ . 1 . 2]" 1
921 1 100 VAL HA 1 100 VAL MG1 . . 3.430 3.044 2.335 3.204 . 0 0 "[ . 1 . 2]" 1
922 1 65 LYS HA 1 65 LYS HG3 . . 3.610 2.980 2.053 3.586 . 0 0 "[ . 1 . 2]" 1
923 1 23 TYR HB2 1 80 LYS HB3 . . 4.420 3.760 3.347 4.298 . 0 0 "[ . 1 . 2]" 1
924 1 43 THR HA 1 99 THR MG . . 3.810 3.295 2.837 3.944 0.134 18 0 "[ . 1 . 2]" 1
925 1 28 VAL HA 1 28 VAL MG2 . . 2.940 2.220 2.159 2.342 . 0 0 "[ . 1 . 2]" 1
926 1 19 ALA HA 1 81 TYR QE . . 5.500 3.300 3.108 3.442 . 0 0 "[ . 1 . 2]" 1
927 1 21 PRO HB2 1 24 ARG HB2 . . 5.080 3.836 3.536 4.062 . 0 0 "[ . 1 . 2]" 1
928 1 21 PRO HB3 1 24 ARG HB2 . . 5.500 4.489 4.210 4.711 . 0 0 "[ . 1 . 2]" 1
929 1 86 VAL MG1 1 87 ASP HA . . 5.320 4.413 4.329 4.484 . 0 0 "[ . 1 . 2]" 1
930 1 86 VAL MG2 1 87 ASP HA . . 5.320 4.111 4.064 4.134 . 0 0 "[ . 1 . 2]" 1
931 1 85 ILE MG 1 87 ASP HA . . 5.500 4.838 4.580 5.093 . 0 0 "[ . 1 . 2]" 1
932 1 105 ALA MB 1 106 LYS HA . . 4.840 4.220 3.810 4.804 . 0 0 "[ . 1 . 2]" 1
933 1 47 THR MG 1 94 PRO HG2 . . 5.250 4.724 4.304 4.895 . 0 0 "[ . 1 . 2]" 1
934 1 47 THR MG 1 94 PRO HG3 . . 5.250 4.993 4.410 5.281 0.031 12 0 "[ . 1 . 2]" 1
935 1 46 PHE QE 1 48 ILE MD . . 3.450 2.720 2.250 2.982 . 0 0 "[ . 1 . 2]" 1
936 1 48 ILE MD 1 54 ALA HA . . 5.270 5.012 3.995 5.292 0.022 19 0 "[ . 1 . 2]" 1
937 1 48 ILE MD 1 96 GLN HB3 . . 4.290 3.451 2.991 3.779 . 0 0 "[ . 1 . 2]" 1
938 1 46 PHE QD 1 98 VAL HB . . 5.080 4.756 4.453 4.892 . 0 0 "[ . 1 . 2]" 1
939 1 79 TRP HZ3 1 98 VAL MG1 . . 5.500 3.418 2.454 3.675 . 0 0 "[ . 1 . 2]" 1
940 1 21 PRO HD3 1 81 TYR QD . . 5.500 3.910 3.633 4.360 . 0 0 "[ . 1 . 2]" 1
941 1 21 PRO HD3 1 79 TRP HE3 . . 5.480 2.602 2.499 2.722 . 0 0 "[ . 1 . 2]" 1
942 1 20 MET HA 1 21 PRO HD3 . . 3.720 2.268 2.254 2.329 . 0 0 "[ . 1 . 2]" 1
943 1 20 MET HG2 1 21 PRO HD3 . . 5.500 5.208 3.958 5.604 0.104 7 0 "[ . 1 . 2]" 1
944 1 20 MET HG3 1 21 PRO HD3 . . 5.500 5.315 4.846 5.544 0.044 10 0 "[ . 1 . 2]" 1
945 1 21 PRO HD2 1 79 TRP HH2 . . 5.500 4.289 4.065 4.599 . 0 0 "[ . 1 . 2]" 1
946 1 21 PRO HD2 1 79 TRP HE3 . . 5.500 4.063 3.944 4.186 . 0 0 "[ . 1 . 2]" 1
947 1 46 PHE QE 1 76 LEU HG . . 4.930 4.220 3.647 4.941 0.011 18 0 "[ . 1 . 2]" 1
948 1 76 LEU HG 1 79 TRP HZ3 . . 5.500 5.038 4.741 5.506 0.006 1 0 "[ . 1 . 2]" 1
949 1 44 LEU HA 1 59 VAL HA . . 3.360 2.023 1.841 2.203 . 0 0 "[ . 1 . 2]" 1
950 1 46 PHE HA 1 57 ILE MG . . 5.500 5.115 4.887 5.251 . 0 0 "[ . 1 . 2]" 1
951 1 103 LYS HA 1 104 ILE HB . . 5.010 4.689 4.601 4.794 . 0 0 "[ . 1 . 2]" 1
952 1 29 TYR QE 1 104 ILE MG . . 5.500 4.214 3.501 5.051 . 0 0 "[ . 1 . 2]" 1
953 1 104 ILE MG 1 105 ALA MB . . 3.680 3.246 2.407 3.683 0.003 5 0 "[ . 1 . 2]" 1
954 1 35 LYS HA 1 104 ILE MG . . 4.740 3.631 3.341 4.234 . 0 0 "[ . 1 . 2]" 1
955 1 83 PRO HA 1 91 ILE MD . . 4.050 2.025 1.957 2.529 . 0 0 "[ . 1 . 2]" 1
956 1 83 PRO HD3 1 91 ILE MD . . 5.500 5.087 4.839 5.653 0.153 6 0 "[ . 1 . 2]" 1
957 1 67 MET ME 1 68 PHE QE . . 4.870 2.928 2.535 3.645 . 0 0 "[ . 1 . 2]" 1
958 1 67 MET ME 1 68 PHE HZ . . 4.940 2.971 2.439 3.541 . 0 0 "[ . 1 . 2]" 1
959 1 67 MET ME 1 68 PHE QD . . 5.080 4.146 3.737 4.631 . 0 0 "[ . 1 . 2]" 1
960 1 39 GLU HA 1 67 MET ME . . 5.500 5.416 5.074 5.562 0.062 20 0 "[ . 1 . 2]" 1
961 1 33 ALA HA 1 67 MET ME . . 3.570 2.096 1.939 2.731 . 0 0 "[ . 1 . 2]" 1
962 1 64 PRO QD 1 67 MET ME . . 4.750 4.219 3.942 4.332 . 0 0 "[ . 1 . 2]" 1
963 1 63 ASN HB2 1 67 MET ME . . 5.500 4.737 4.166 5.595 0.095 7 0 "[ . 1 . 2]" 1
964 1 63 ASN HB3 1 67 MET ME . . 5.500 4.848 4.473 5.682 0.182 15 0 "[ . 1 . 2]" 1
965 1 67 MET HB3 1 67 MET ME . . 3.420 2.063 1.911 2.304 . 0 0 "[ . 1 . 2]" 1
966 1 57 ILE MG 1 58 ASN HA . . 4.000 3.391 3.149 3.601 . 0 0 "[ . 1 . 2]" 1
967 1 57 ILE MG 1 73 MET HA . . 3.840 3.401 3.029 3.866 0.026 18 0 "[ . 1 . 2]" 1
968 1 57 ILE HG13 1 57 ILE MG . . 2.990 2.325 2.262 2.382 . 0 0 "[ . 1 . 2]" 1
969 1 57 ILE MG 1 76 LEU HG . . 5.030 3.878 3.549 4.219 . 0 0 "[ . 1 . 2]" 1
970 1 44 LEU MD1 1 57 ILE MD . . 5.010 4.940 4.627 5.115 0.105 15 0 "[ . 1 . 2]" 1
971 1 104 ILE MD 1 105 ALA MB . . 5.280 4.738 4.543 4.918 . 0 0 "[ . 1 . 2]" 1
972 1 74 GLN HG3 1 75 ALA MB . . 4.280 3.429 3.249 3.634 . 0 0 "[ . 1 . 2]" 1
973 1 74 GLN HB3 1 74 GLN HG2 . . 2.820 2.477 2.422 2.545 . 0 0 "[ . 1 . 2]" 1
974 1 74 GLN HG2 1 75 ALA MB . . 4.080 3.576 3.400 3.843 . 0 0 "[ . 1 . 2]" 1
975 1 83 PRO HG2 1 84 GLN HG3 . . 4.100 3.925 3.551 4.179 0.079 16 0 "[ . 1 . 2]" 1
976 1 84 GLN HA 1 84 GLN HG2 . . 4.230 2.452 2.249 2.798 . 0 0 "[ . 1 . 2]" 1
977 1 93 GLN HA 1 94 PRO HD3 . . 3.850 2.562 2.447 2.665 . 0 0 "[ . 1 . 2]" 1
978 1 20 MET ME 1 21 PRO HD2 . . 5.500 4.962 3.540 5.458 . 0 0 "[ . 1 . 2]" 1
979 1 47 THR MG 1 94 PRO HD2 . . 5.500 5.478 5.229 5.577 0.077 11 0 "[ . 1 . 2]" 1
980 1 83 PRO HD2 1 84 GLN HG2 . . 5.500 5.348 5.001 5.523 0.023 17 0 "[ . 1 . 2]" 1
981 1 63 ASN HA 1 64 PRO HG2 . . 5.500 4.656 4.566 4.731 . 0 0 "[ . 1 . 2]" 1
982 1 20 MET HA 1 79 TRP HH2 . . 5.500 4.506 4.171 5.117 . 0 0 "[ . 1 . 2]" 1
983 1 20 MET HA 1 81 TYR QD . . 5.500 4.766 4.355 5.456 . 0 0 "[ . 1 . 2]" 1
984 1 93 GLN HA 1 94 PRO HD2 . . 3.150 1.924 1.912 1.946 . 0 0 "[ . 1 . 2]" 1
985 1 26 GLU HA 1 26 GLU HG3 . . 4.100 3.183 2.484 3.740 . 0 0 "[ . 1 . 2]" 1
986 1 30 PRO HG2 1 33 ALA H . . 5.500 3.460 3.260 3.861 . 0 0 "[ . 1 . 2]" 1
987 1 30 PRO HG3 1 68 PHE QD . . 4.580 1.978 1.909 2.010 . 0 0 "[ . 1 . 2]" 1
988 1 30 PRO HG2 1 33 ALA HA . . 4.680 4.678 4.485 4.800 0.120 17 0 "[ . 1 . 2]" 1
989 1 30 PRO HG2 1 33 ALA MB . . 3.420 2.223 1.962 2.538 . 0 0 "[ . 1 . 2]" 1
990 1 30 PRO HG3 1 33 ALA MB . . 3.690 2.243 1.995 2.445 . 0 0 "[ . 1 . 2]" 1
991 1 21 PRO HG3 1 79 TRP HE3 . . 5.320 3.237 2.992 3.404 . 0 0 "[ . 1 . 2]" 1
992 1 21 PRO HG3 1 24 ARG HD2 . . 5.090 4.945 4.430 5.134 0.044 18 0 "[ . 1 . 2]" 1
993 1 21 PRO HG2 1 24 ARG HB3 . . 4.750 3.601 3.104 3.993 . 0 0 "[ . 1 . 2]" 1
994 1 27 PRO HG3 1 102 PHE QE . . 5.500 2.432 2.049 3.212 . 0 0 "[ . 1 . 2]" 1
995 1 26 GLU HA 1 27 PRO HG3 . . 4.800 4.523 4.486 4.561 . 0 0 "[ . 1 . 2]" 1
996 1 27 PRO HG2 1 102 PHE QE . . 5.500 2.661 2.087 3.279 . 0 0 "[ . 1 . 2]" 1
997 1 82 GLN HA 1 83 PRO HG2 . . 4.710 4.316 4.240 4.358 . 0 0 "[ . 1 . 2]" 1
998 1 82 GLN HA 1 83 PRO HG3 . . 5.080 4.351 4.322 4.371 . 0 0 "[ . 1 . 2]" 1
999 1 51 THR MG 1 83 PRO HG3 . . 5.500 5.237 4.404 5.517 0.017 7 0 "[ . 1 . 2]" 1
1000 1 83 PRO HG2 1 84 GLN HG2 . . 5.220 4.771 4.288 5.226 0.006 16 0 "[ . 1 . 2]" 1
1001 1 20 MET HG2 1 21 PRO HD2 . . 5.500 4.473 3.126 5.170 . 0 0 "[ . 1 . 2]" 1
1002 1 20 MET HG3 1 21 PRO HD2 . . 5.500 4.431 3.905 5.058 . 0 0 "[ . 1 . 2]" 1
1003 1 41 PHE HA 1 101 GLU HG3 . . 5.500 4.221 3.250 5.232 . 0 0 "[ . 1 . 2]" 1
1004 1 41 PHE HB2 1 101 GLU HG3 . . 5.500 3.947 2.824 4.956 . 0 0 "[ . 1 . 2]" 1
1005 1 41 PHE HB3 1 101 GLU HG3 . . 5.500 3.363 2.216 5.107 . 0 0 "[ . 1 . 2]" 1
1006 1 44 LEU MD1 1 69 GLU HG3 . . 4.150 3.947 3.416 4.175 0.025 7 0 "[ . 1 . 2]" 1
1007 1 39 GLU HG3 1 103 LYS HA . . 4.100 3.583 2.613 4.109 0.009 3 0 "[ . 1 . 2]" 1
1008 1 41 PHE QD 1 43 THR HA . . 5.500 4.692 4.298 4.964 . 0 0 "[ . 1 . 2]" 1
1009 1 41 PHE QD 1 99 THR HA . . 5.500 5.011 4.309 5.544 0.044 18 0 "[ . 1 . 2]" 1
1010 1 46 PHE QE 1 76 LEU MD1 . . 4.140 2.797 2.532 3.019 . 0 0 "[ . 1 . 2]" 1
1011 1 76 LEU MD1 1 79 TRP HE3 . . 3.870 2.298 1.967 2.677 . 0 0 "[ . 1 . 2]" 1
1012 1 76 LEU MD2 1 79 TRP HE3 . . 4.430 2.977 2.633 3.263 . 0 0 "[ . 1 . 2]" 1
1013 1 65 LYS HA 1 65 LYS HG2 . . 3.610 2.653 2.146 3.635 0.025 3 0 "[ . 1 . 2]" 1
1014 1 44 LEU HG 1 57 ILE HA . . 5.500 5.423 5.138 5.566 0.066 8 0 "[ . 1 . 2]" 1
1015 1 68 PHE HZ 1 102 PHE HB3 . . 5.500 4.127 3.475 4.990 . 0 0 "[ . 1 . 2]" 1
1016 1 68 PHE HZ 1 102 PHE HB2 . . 5.500 4.193 3.847 4.727 . 0 0 "[ . 1 . 2]" 1
1017 1 21 PRO HG3 1 79 TRP HB3 . . 3.290 2.451 2.204 2.588 . 0 0 "[ . 1 . 2]" 1
1018 1 51 THR HA 1 83 PRO HB3 . . 5.500 2.886 2.118 3.200 . 0 0 "[ . 1 . 2]" 1
1019 1 24 ARG HA 1 25 VAL HA . . 5.500 4.540 4.519 4.560 . 0 0 "[ . 1 . 2]" 1
1020 1 24 ARG HB3 1 25 VAL HA . . 5.500 5.002 4.924 5.095 . 0 0 "[ . 1 . 2]" 1
1021 1 60 VAL HA 1 60 VAL MG1 . . 2.810 2.298 2.209 2.375 . 0 0 "[ . 1 . 2]" 1
1022 1 60 VAL HA 1 60 VAL MG2 . . 2.810 2.402 2.334 2.462 . 0 0 "[ . 1 . 2]" 1
1023 1 30 PRO HD3 1 33 ALA MB . . 4.240 4.107 3.883 4.259 0.019 19 0 "[ . 1 . 2]" 1
1024 1 44 LEU HB3 1 59 VAL HA . . 5.230 4.034 3.820 4.186 . 0 0 "[ . 1 . 2]" 1
1025 1 59 VAL HA 1 62 ALA MB . . 5.500 5.092 4.775 5.435 . 0 0 "[ . 1 . 2]" 1
1026 1 57 ILE MG 1 73 MET HG2 . . 4.150 3.263 2.468 4.156 0.006 13 0 "[ . 1 . 2]" 1
1027 1 57 ILE MG 1 73 MET HG3 . . 4.150 2.677 2.082 3.384 . 0 0 "[ . 1 . 2]" 1
1028 1 46 PHE HB3 1 57 ILE MG . . 4.520 3.903 3.661 4.089 . 0 0 "[ . 1 . 2]" 1
1029 1 21 PRO HG3 1 23 TYR HB3 . . 5.400 5.097 4.881 5.285 . 0 0 "[ . 1 . 2]" 1
1030 1 21 PRO HG3 1 24 ARG HB2 . . 3.010 2.761 2.395 3.063 0.053 11 0 "[ . 1 . 2]" 1
1031 1 82 GLN HG3 1 83 PRO HD2 . . 4.440 2.089 1.949 2.476 . 0 0 "[ . 1 . 2]" 1
1032 1 29 TYR QD 1 31 SER HA . . 5.500 5.337 4.662 5.645 0.145 13 0 "[ . 1 . 2]" 1
1033 1 44 LEU MD2 1 59 VAL HA . . 4.820 4.345 4.000 4.596 . 0 0 "[ . 1 . 2]" 1
1034 1 104 ILE HA 1 104 ILE HG12 . . 3.490 3.156 3.070 3.315 . 0 0 "[ . 1 . 2]" 1
1035 1 39 GLU HG3 1 104 ILE HG12 . . 4.150 2.804 1.963 3.652 . 0 0 "[ . 1 . 2]" 1
1036 1 75 ALA MB 1 76 LEU MD2 . . 5.500 3.532 2.850 3.986 . 0 0 "[ . 1 . 2]" 1
1037 1 100 VAL HB 1 102 PHE QE . . 5.500 4.823 3.058 5.499 . 0 0 "[ . 1 . 2]" 1
1038 1 26 GLU HA 1 26 GLU HG2 . . 4.100 2.934 2.098 4.008 . 0 0 "[ . 1 . 2]" 1
1039 1 21 PRO HB3 1 81 TYR QD . . 3.950 3.474 2.867 3.898 . 0 0 "[ . 1 . 2]" 1
1040 1 33 ALA MB 1 68 PHE QE . . 3.400 1.973 1.857 2.170 . 0 0 "[ . 1 . 2]" 1
1041 1 73 MET H 1 76 LEU H . . 5.270 4.870 4.687 5.044 . 0 0 "[ . 1 . 2]" 1
1042 1 79 TRP HB2 1 79 TRP HZ3 . . 5.470 5.294 5.223 5.407 . 0 0 "[ . 1 . 2]" 1
1043 1 79 TRP HB3 1 79 TRP HZ3 . . 5.450 5.230 5.127 5.302 . 0 0 "[ . 1 . 2]" 1
1044 1 21 PRO HG3 1 79 TRP HZ3 . . 5.450 4.623 4.297 4.944 . 0 0 "[ . 1 . 2]" 1
1045 1 75 ALA MB 1 79 TRP HZ3 . . 5.500 5.297 4.999 5.518 0.018 13 0 "[ . 1 . 2]" 1
1046 1 79 TRP HZ3 1 98 VAL MG2 . . 5.500 3.165 2.727 3.574 . 0 0 "[ . 1 . 2]" 1
1047 1 76 LEU MD2 1 79 TRP HZ3 . . 4.320 2.429 2.058 2.798 . 0 0 "[ . 1 . 2]" 1
1048 1 46 PHE QD 1 55 VAL H . . 4.230 3.552 2.762 4.039 . 0 0 "[ . 1 . 2]" 1
1049 1 44 LEU HB3 1 46 PHE QD . . 4.670 3.396 2.922 4.212 . 0 0 "[ . 1 . 2]" 1
1050 1 46 PHE QD 1 57 ILE MD . . 4.040 3.150 2.858 3.305 . 0 0 "[ . 1 . 2]" 1
1051 1 46 PHE HD1 1 76 LEU HG . . 4.510 3.548 3.115 4.353 . 0 0 "[ . 1 . 2]" 1
1052 1 19 ALA MB 1 46 PHE HZ . . 3.900 2.020 1.876 2.485 . 0 0 "[ . 1 . 2]" 1
1053 1 46 PHE QD 1 54 ALA HA . . 3.950 2.881 2.454 3.344 . 0 0 "[ . 1 . 2]" 1
1054 1 46 PHE HA 1 46 PHE QD . . 4.060 3.690 3.678 3.705 . 0 0 "[ . 1 . 2]" 1
1055 1 46 PHE QD 1 98 VAL MG1 . . 5.500 3.055 2.746 3.129 . 0 0 "[ . 1 . 2]" 1
1056 1 81 TYR QE 1 82 GLN H . . 4.760 4.037 3.796 4.435 . 0 0 "[ . 1 . 2]" 1
1057 1 20 MET HA 1 79 TRP HE3 . . 5.090 4.298 4.087 4.733 . 0 0 "[ . 1 . 2]" 1
1058 1 20 MET HA 1 81 TYR QE . . 5.290 3.507 3.148 3.978 . 0 0 "[ . 1 . 2]" 1
1059 1 19 ALA MB 1 81 TYR QE . . 3.960 2.761 2.353 3.094 . 0 0 "[ . 1 . 2]" 1
1060 1 54 ALA MB 1 79 TRP HE3 . . 5.500 4.668 4.465 4.846 . 0 0 "[ . 1 . 2]" 1
1061 1 22 LEU HG 1 81 TYR QE . . 5.500 5.456 5.243 5.554 0.054 15 0 "[ . 1 . 2]" 1
1062 1 48 ILE MD 1 81 TYR QE . . 4.370 2.839 2.395 3.254 . 0 0 "[ . 1 . 2]" 1
1063 1 40 GLY HA2 1 41 PHE QD . . 4.630 3.345 2.763 3.704 . 0 0 "[ . 1 . 2]" 1
1064 1 79 TRP HA 1 79 TRP HD1 . . 4.470 2.051 1.984 2.141 . 0 0 "[ . 1 . 2]" 1
1065 1 102 PHE H 1 102 PHE QD . . 4.820 2.812 2.280 3.097 . 0 0 "[ . 1 . 2]" 1
1066 1 29 TYR QE 1 103 LYS H . . 4.160 3.433 2.415 4.053 . 0 0 "[ . 1 . 2]" 1
1067 1 46 PHE H 1 46 PHE QE . . 4.670 3.897 3.818 4.070 . 0 0 "[ . 1 . 2]" 1
1068 1 29 TYR H 1 29 TYR QD . . 4.270 3.600 3.110 4.069 . 0 0 "[ . 1 . 2]" 1
1069 1 29 TYR QD 1 102 PHE QD . . 4.900 3.744 3.545 3.992 . 0 0 "[ . 1 . 2]" 1
1070 1 29 TYR HA 1 29 TYR QD . . 4.550 2.864 2.346 3.001 . 0 0 "[ . 1 . 2]" 1
1071 1 29 TYR QD 1 30 PRO HD2 . . 4.850 2.567 2.283 3.031 . 0 0 "[ . 1 . 2]" 1
1072 1 72 ALA HA 1 76 LEU H . . 5.070 4.047 3.557 4.293 . 0 0 "[ . 1 . 2]" 1
1073 1 29 TYR QD 1 34 LEU HA . . 4.890 3.501 2.893 4.654 . 0 0 "[ . 1 . 2]" 1
1074 1 29 TYR QD 1 34 LEU HB3 . . 4.760 3.775 2.717 4.202 . 0 0 "[ . 1 . 2]" 1
1075 1 29 TYR QD 1 34 LEU MD1 . . 3.930 2.311 1.948 3.967 0.037 13 0 "[ . 1 . 2]" 1
1076 1 29 TYR QD 1 34 LEU MD2 . . 3.930 3.478 2.395 3.944 0.014 18 0 "[ . 1 . 2]" 1
1077 1 19 ALA MB 1 46 PHE QE . . 4.490 2.811 2.323 3.099 . 0 0 "[ . 1 . 2]" 1
1078 1 68 PHE HB2 1 102 PHE QE . . 5.500 3.741 2.937 4.306 . 0 0 "[ . 1 . 2]" 1
1079 1 42 VAL HB 1 102 PHE QE . . 4.190 3.216 2.061 4.324 0.134 1 0 "[ . 1 . 2]" 1
1080 1 75 ALA MB 1 77 LYS H . . 5.500 4.278 4.158 4.388 . 0 0 "[ . 1 . 2]" 1
1081 1 23 TYR HA 1 23 TYR QD . . 3.780 2.087 1.980 3.092 . 0 0 "[ . 1 . 2]" 1
1082 1 41 PHE QD 1 61 ASP HB3 . . 5.010 4.156 3.898 4.727 . 0 0 "[ . 1 . 2]" 1
1083 1 29 TYR HA 1 102 PHE QE . . 3.650 2.300 1.986 2.872 . 0 0 "[ . 1 . 2]" 1
1084 1 33 ALA H 1 35 LYS H . . 5.150 4.395 3.737 4.780 . 0 0 "[ . 1 . 2]" 1
1085 1 40 GLY HA3 1 68 PHE QE . . 4.690 1.974 1.889 2.092 . 0 0 "[ . 1 . 2]" 1
1086 1 29 TYR QE 1 34 LEU HA . . 5.500 2.792 2.058 3.862 . 0 0 "[ . 1 . 2]" 1
1087 1 27 PRO HB2 1 102 PHE QE . . 3.590 3.097 2.851 3.378 . 0 0 "[ . 1 . 2]" 1
1088 1 21 PRO HG3 1 79 TRP HD1 . . 4.410 3.835 3.663 4.197 . 0 0 "[ . 1 . 2]" 1
1089 1 16 ASN HA 1 16 ASN QD . . 3.840 3.127 2.102 3.797 . 0 0 "[ . 1 . 2]" 1
1090 1 17 GLN HA 1 17 GLN QG . . 3.650 2.628 2.244 3.439 . 0 0 "[ . 1 . 2]" 1
1091 1 18 GLN H 1 18 GLN QB . . 3.430 2.792 2.074 3.408 . 0 0 "[ . 1 . 2]" 1
1092 1 18 GLN H 1 18 GLN QG . . 4.030 2.860 1.951 4.004 . 0 0 "[ . 1 . 2]" 1
1093 1 18 GLN HA 1 18 GLN QG . . 3.700 2.910 2.276 3.432 . 0 0 "[ . 1 . 2]" 1
1094 1 18 GLN QB 1 19 ALA HA . . 5.210 4.415 4.219 4.763 . 0 0 "[ . 1 . 2]" 1
1095 1 18 GLN QB 1 19 ALA MB . . 4.370 3.855 3.350 4.452 0.082 16 0 "[ . 1 . 2]" 1
1096 1 18 GLN QG 1 19 ALA H . . 4.700 3.649 2.016 4.457 . 0 0 "[ . 1 . 2]" 1
1097 1 19 ALA HA 1 20 MET QB . . 5.310 4.540 4.401 4.631 . 0 0 "[ . 1 . 2]" 1
1098 1 20 MET H 1 20 MET QB . . 3.050 2.889 2.484 3.126 0.076 7 0 "[ . 1 . 2]" 1
1099 1 20 MET H 1 20 MET QG . . 3.690 2.335 1.929 3.192 . 0 0 "[ . 1 . 2]" 1
1100 1 20 MET QB 1 21 PRO HD2 . . 3.000 2.455 2.068 3.021 0.021 13 0 "[ . 1 . 2]" 1
1101 1 20 MET QB 1 21 PRO HD3 . . 4.190 3.673 3.382 4.086 . 0 0 "[ . 1 . 2]" 1
1102 1 20 MET QB 1 25 VAL HA . . 3.590 3.058 2.602 3.482 . 0 0 "[ . 1 . 2]" 1
1103 1 20 MET QG 1 21 PRO HD2 . . 4.820 3.870 3.065 4.387 . 0 0 "[ . 1 . 2]" 1
1104 1 21 PRO HA 1 22 LEU QD . . 4.750 4.081 3.989 4.341 . 0 0 "[ . 1 . 2]" 1
1105 1 21 PRO HA 1 81 TYR QB . . 5.340 3.888 3.636 4.203 . 0 0 "[ . 1 . 2]" 1
1106 1 21 PRO HB3 1 24 ARG QD . . 5.340 5.124 4.743 5.368 0.028 10 0 "[ . 1 . 2]" 1
1107 1 21 PRO HG2 1 24 ARG QD . . 4.700 4.302 3.685 4.743 0.043 9 0 "[ . 1 . 2]" 1
1108 1 21 PRO HG3 1 24 ARG QD . . 4.390 4.130 3.590 4.402 0.012 9 0 "[ . 1 . 2]" 1
1109 1 22 LEU H 1 22 LEU QD . . 3.260 2.137 1.908 2.498 . 0 0 "[ . 1 . 2]" 1
1110 1 22 LEU HA 1 22 LEU QD . . 3.750 3.343 3.307 3.388 . 0 0 "[ . 1 . 2]" 1
1111 1 22 LEU HB2 1 22 LEU QD . . 3.050 2.057 2.034 2.092 . 0 0 "[ . 1 . 2]" 1
1112 1 22 LEU HG 1 81 TYR QB . . 5.340 5.134 4.927 5.300 . 0 0 "[ . 1 . 2]" 1
1113 1 22 LEU HG 1 82 GLN QB . . 3.830 3.346 3.119 3.534 . 0 0 "[ . 1 . 2]" 1
1114 1 22 LEU QD 1 23 TYR H . . 4.130 2.498 2.211 2.721 . 0 0 "[ . 1 . 2]" 1
1115 1 22 LEU QD 1 23 TYR HA . . 4.690 3.387 3.241 3.503 . 0 0 "[ . 1 . 2]" 1
1116 1 22 LEU QD 1 23 TYR HB2 . . 3.720 2.452 2.153 2.520 . 0 0 "[ . 1 . 2]" 1
1117 1 22 LEU QD 1 23 TYR HB3 . . 3.520 3.194 3.004 3.445 . 0 0 "[ . 1 . 2]" 1
1118 1 22 LEU QD 1 23 TYR QD . . 5.440 4.047 3.168 4.199 . 0 0 "[ . 1 . 2]" 1
1119 1 22 LEU QD 1 80 LYS H . . 5.440 4.148 3.832 4.432 . 0 0 "[ . 1 . 2]" 1
1120 1 22 LEU QD 1 80 LYS QB . . 4.070 2.646 2.369 2.931 . 0 0 "[ . 1 . 2]" 1
1121 1 22 LEU QD 1 80 LYS QG . . 3.970 3.956 3.631 4.037 0.067 18 0 "[ . 1 . 2]" 1
1122 1 22 LEU QD 1 81 TYR H . . 5.390 4.553 4.304 4.761 . 0 0 "[ . 1 . 2]" 1
1123 1 22 LEU QD 1 81 TYR HA . . 4.250 3.401 3.247 3.560 . 0 0 "[ . 1 . 2]" 1
1124 1 22 LEU QD 1 82 GLN H . . 4.760 2.775 2.321 3.258 . 0 0 "[ . 1 . 2]" 1
1125 1 22 LEU QD 1 82 GLN HA . . 5.160 3.780 3.594 4.050 . 0 0 "[ . 1 . 2]" 1
1126 1 22 LEU QD 1 82 GLN QB . . 3.220 1.781 1.696 1.898 . 0 0 "[ . 1 . 2]" 1
1127 1 22 LEU QD 1 82 GLN QG . . 3.670 3.219 2.812 3.434 . 0 0 "[ . 1 . 2]" 1
1128 1 22 LEU QD 1 82 GLN QE . . 4.490 3.657 2.144 4.375 . 0 0 "[ . 1 . 2]" 1
1129 1 22 LEU QD 1 84 GLN H . . 5.440 5.267 4.825 5.487 0.047 15 0 "[ . 1 . 2]" 1
1130 1 23 TYR H 1 80 LYS QB . . 4.340 4.189 4.021 4.320 . 0 0 "[ . 1 . 2]" 1
1131 1 23 TYR HB2 1 80 LYS QB . . 3.770 3.345 2.800 3.461 . 0 0 "[ . 1 . 2]" 1
1132 1 23 TYR HB3 1 80 LYS QB . . 3.240 3.038 2.914 3.178 . 0 0 "[ . 1 . 2]" 1
1133 1 23 TYR QD 1 24 ARG QG . . 4.850 4.129 3.015 4.672 . 0 0 "[ . 1 . 2]" 1
1134 1 23 TYR QD 1 24 ARG QD . . 4.590 2.459 1.978 2.829 . 0 0 "[ . 1 . 2]" 1
1135 1 23 TYR QD 1 80 LYS QB . . 4.040 3.240 2.948 3.595 . 0 0 "[ . 1 . 2]" 1
1136 1 23 TYR QD 1 80 LYS QG . . 4.740 4.630 4.164 4.811 0.071 14 0 "[ . 1 . 2]" 1
1137 1 24 ARG H 1 24 ARG QG . . 4.560 3.841 3.625 4.054 . 0 0 "[ . 1 . 2]" 1
1138 1 24 ARG H 1 24 ARG QD . . 4.380 3.203 2.903 3.412 . 0 0 "[ . 1 . 2]" 1
1139 1 24 ARG HA 1 24 ARG QG . . 3.630 2.162 2.109 2.208 . 0 0 "[ . 1 . 2]" 1
1140 1 24 ARG HA 1 25 VAL QG . . 4.600 3.647 3.398 3.930 . 0 0 "[ . 1 . 2]" 1
1141 1 24 ARG HB2 1 24 ARG QD . . 3.560 2.173 2.090 2.266 . 0 0 "[ . 1 . 2]" 1
1142 1 24 ARG QG 1 79 TRP HD1 . . 5.330 2.744 2.313 3.181 . 0 0 "[ . 1 . 2]" 1
1143 1 24 ARG QD 1 79 TRP HB3 . . 5.340 4.360 3.997 4.700 . 0 0 "[ . 1 . 2]" 1
1144 1 24 ARG QD 1 79 TRP HD1 . . 3.930 2.062 1.966 2.446 . 0 0 "[ . 1 . 2]" 1
1145 1 24 ARG QD 1 79 TRP HE1 . . 5.340 3.711 3.445 4.073 . 0 0 "[ . 1 . 2]" 1
1146 1 24 ARG QD 1 80 LYS H . . 5.340 3.538 3.049 3.997 . 0 0 "[ . 1 . 2]" 1
1147 1 24 ARG QD 1 80 LYS QB . . 4.530 4.042 3.798 4.524 . 0 0 "[ . 1 . 2]" 1
1148 1 26 GLU H 1 26 GLU QB . . 3.190 2.932 2.474 3.131 . 0 0 "[ . 1 . 2]" 1
1149 1 26 GLU H 1 26 GLU QG . . 3.240 3.092 2.506 3.670 0.430 20 0 "[ . 1 . 2]" 1
1150 1 26 GLU HA 1 26 GLU QG . . 3.500 2.669 2.079 3.315 . 0 0 "[ . 1 . 2]" 1
1151 1 26 GLU QB 1 27 PRO HD2 . . 3.720 2.022 1.848 2.349 . 0 0 "[ . 1 . 2]" 1
1152 1 26 GLU QG 1 27 PRO QG . . 5.180 3.951 3.176 4.986 . 0 0 "[ . 1 . 2]" 1
1153 1 26 GLU QG 1 27 PRO HD2 . . 3.880 2.633 2.017 3.534 . 0 0 "[ . 1 . 2]" 1
1154 1 26 GLU QG 1 27 PRO HD3 . . 4.340 3.618 2.990 4.392 0.052 20 0 "[ . 1 . 2]" 1
1155 1 27 PRO HA 1 98 VAL QG . . 5.440 5.381 5.137 5.509 0.069 1 0 "[ . 1 . 2]" 1
1156 1 27 PRO HB2 1 71 GLU QB . . 5.340 4.399 3.956 4.798 . 0 0 "[ . 1 . 2]" 1
1157 1 27 PRO HB2 1 100 VAL QG . . 4.100 3.880 3.320 4.147 0.047 1 0 "[ . 1 . 2]" 1
1158 1 27 PRO HB3 1 98 VAL QG . . 4.860 4.307 4.063 4.809 . 0 0 "[ . 1 . 2]" 1
1159 1 27 PRO QG 1 100 VAL QG . . 2.800 1.916 1.787 2.191 . 0 0 "[ . 1 . 2]" 1
1160 1 27 PRO QG 1 102 PHE QE . . 4.810 2.244 1.930 2.890 . 0 0 "[ . 1 . 2]" 1
1161 1 27 PRO QG 1 102 PHE HZ . . 4.150 2.560 2.186 3.031 . 0 0 "[ . 1 . 2]" 1
1162 1 28 VAL H 1 71 GLU QB . . 5.340 4.105 3.922 4.435 . 0 0 "[ . 1 . 2]" 1
1163 1 28 VAL HB 1 71 GLU QB . . 5.340 4.442 4.339 4.492 . 0 0 "[ . 1 . 2]" 1
1164 1 28 VAL MG1 1 71 GLU QB . . 4.140 1.869 1.846 1.895 . 0 0 "[ . 1 . 2]" 1
1165 1 28 VAL MG1 1 71 GLU QG . . 3.900 2.928 1.917 3.683 . 0 0 "[ . 1 . 2]" 1
1166 1 29 TYR HA 1 34 LEU QD . . 5.440 4.653 4.033 5.352 . 0 0 "[ . 1 . 2]" 1
1167 1 29 TYR HB2 1 34 LEU QD . . 5.000 3.887 3.069 4.699 . 0 0 "[ . 1 . 2]" 1
1168 1 29 TYR HB3 1 34 LEU QB . . 5.340 3.789 3.380 4.186 . 0 0 "[ . 1 . 2]" 1
1169 1 29 TYR HB3 1 34 LEU QD . . 3.780 2.770 1.887 3.784 0.004 13 0 "[ . 1 . 2]" 1
1170 1 29 TYR QD 1 34 LEU QB . . 4.000 2.323 1.990 2.871 . 0 0 "[ . 1 . 2]" 1
1171 1 29 TYR QD 1 34 LEU QD . . 3.430 2.171 1.943 2.421 . 0 0 "[ . 1 . 2]" 1
1172 1 29 TYR QE 1 34 LEU QD . . 4.470 2.765 1.911 3.574 . 0 0 "[ . 1 . 2]" 1
1173 1 30 PRO HA 1 34 LEU QB . . 5.340 4.961 4.610 5.325 . 0 0 "[ . 1 . 2]" 1
1174 1 30 PRO HA 1 71 GLU QB . . 4.550 3.773 3.047 4.205 . 0 0 "[ . 1 . 2]" 1
1175 1 30 PRO HA 1 71 GLU QG . . 4.820 2.604 1.960 4.094 . 0 0 "[ . 1 . 2]" 1
1176 1 30 PRO HG2 1 34 LEU QD . . 5.440 4.080 3.212 4.531 . 0 0 "[ . 1 . 2]" 1
1177 1 30 PRO HG3 1 68 PHE QB . . 4.430 3.109 2.468 3.812 . 0 0 "[ . 1 . 2]" 1
1178 1 30 PRO HD3 1 68 PHE QB . . 4.800 2.877 2.371 3.476 . 0 0 "[ . 1 . 2]" 1
1179 1 31 SER QB 1 32 ARG HA . . 5.340 4.135 3.716 4.577 . 0 0 "[ . 1 . 2]" 1
1180 1 33 ALA HA 1 36 ARG QB . . 3.410 2.103 1.906 2.560 . 0 0 "[ . 1 . 2]" 1
1181 1 33 ALA HA 1 36 ARG QD . . 4.320 3.767 2.445 4.384 0.064 16 0 "[ . 1 . 2]" 1
1182 1 33 ALA HA 1 38 VAL QG . . 4.040 4.141 4.050 4.324 0.284 9 0 "[ . 1 . 2]" 1
1183 1 33 ALA MB 1 67 MET QB . . 4.550 2.172 1.917 2.803 . 0 0 "[ . 1 . 2]" 1
1184 1 33 ALA MB 1 67 MET QG . . 4.850 3.803 3.308 4.330 . 0 0 "[ . 1 . 2]" 1
1185 1 33 ALA MB 1 68 PHE QB . . 5.340 3.967 3.558 4.387 . 0 0 "[ . 1 . 2]" 1
1186 1 34 LEU H 1 34 LEU QB . . 3.220 2.186 2.119 2.229 . 0 0 "[ . 1 . 2]" 1
1187 1 34 LEU HA 1 34 LEU QD . . 3.360 2.685 1.894 3.390 0.030 15 0 "[ . 1 . 2]" 1
1188 1 34 LEU QB 1 35 LYS H . . 3.660 2.655 2.155 3.493 . 0 0 "[ . 1 . 2]" 1
1189 1 34 LEU QB 1 36 ARG H . . 5.340 4.486 4.212 5.257 . 0 0 "[ . 1 . 2]" 1
1190 1 34 LEU QD 1 35 LYS HA . . 3.800 3.496 2.783 3.919 0.119 18 0 "[ . 1 . 2]" 1
1191 1 34 LEU QD 1 35 LYS QG . . 2.810 2.550 1.902 2.889 0.079 3 0 "[ . 1 . 2]" 1
1192 1 35 LYS H 1 35 LYS QG . . 3.290 2.597 2.235 3.274 . 0 0 "[ . 1 . 2]" 1
1193 1 35 LYS QG 1 104 ILE MG . . 5.340 4.950 4.694 5.369 0.029 14 0 "[ . 1 . 2]" 1
1194 1 36 ARG H 1 36 ARG QB . . 3.080 2.184 2.086 2.250 . 0 0 "[ . 1 . 2]" 1
1195 1 36 ARG H 1 37 GLY QA . . 5.340 4.668 4.549 4.719 . 0 0 "[ . 1 . 2]" 1
1196 1 36 ARG HA 1 36 ARG QD . . 4.430 3.359 3.023 3.854 . 0 0 "[ . 1 . 2]" 1
1197 1 36 ARG QB 1 36 ARG QD . . 2.350 2.051 1.897 2.156 . 0 0 "[ . 1 . 2]" 1
1198 1 36 ARG QB 1 37 GLY H . . 3.560 1.991 1.915 2.205 . 0 0 "[ . 1 . 2]" 1
1199 1 36 ARG QB 1 37 GLY QA . . 5.180 3.749 3.578 3.916 . 0 0 "[ . 1 . 2]" 1
1200 1 36 ARG QB 1 38 VAL H . . 3.530 2.475 2.267 3.094 . 0 0 "[ . 1 . 2]" 1
1201 1 36 ARG QB 1 38 VAL QG . . 3.800 3.047 2.747 3.670 . 0 0 "[ . 1 . 2]" 1
1202 1 36 ARG QD 1 38 VAL HB . . 5.340 3.098 1.974 4.330 . 0 0 "[ . 1 . 2]" 1
1203 1 36 ARG QD 1 38 VAL QG . . 3.320 2.682 2.022 3.343 0.023 8 0 "[ . 1 . 2]" 1
1204 1 36 ARG QD 1 67 MET ME . . 3.600 2.260 1.835 3.238 . 0 0 "[ . 1 . 2]" 1
1205 1 37 GLY QA 1 38 VAL QG . . 4.850 4.217 3.985 4.296 . 0 0 "[ . 1 . 2]" 1
1206 1 37 GLY QA 1 67 MET ME . . 5.340 5.228 4.909 5.419 0.079 17 0 "[ . 1 . 2]" 1
1207 1 37 GLY QA 1 104 ILE MG . . 3.730 2.427 1.960 2.888 . 0 0 "[ . 1 . 2]" 1
1208 1 37 GLY QA 1 104 ILE HG12 . . 5.340 3.769 3.367 4.190 . 0 0 "[ . 1 . 2]" 1
1209 1 37 GLY QA 1 104 ILE HG13 . . 4.130 2.270 2.003 2.674 . 0 0 "[ . 1 . 2]" 1
1210 1 37 GLY QA 1 104 ILE MD . . 3.870 3.544 2.928 3.873 0.003 12 0 "[ . 1 . 2]" 1
1211 1 38 VAL HA 1 38 VAL QG . . 3.100 2.092 1.962 2.223 . 0 0 "[ . 1 . 2]" 1
1212 1 38 VAL HB 1 67 MET QG . . 5.340 4.845 3.943 5.382 0.042 11 0 "[ . 1 . 2]" 1
1213 1 38 VAL QG 1 40 GLY HA2 . . 5.440 3.781 3.527 4.096 . 0 0 "[ . 1 . 2]" 1
1214 1 38 VAL QG 1 40 GLY HA3 . . 5.440 3.528 3.128 3.851 . 0 0 "[ . 1 . 2]" 1
1215 1 38 VAL QG 1 63 ASN QB . . 4.550 3.817 3.432 4.469 . 0 0 "[ . 1 . 2]" 1
1216 1 38 VAL QG 1 64 PRO QG . . 3.350 2.688 2.247 3.229 . 0 0 "[ . 1 . 2]" 1
1217 1 38 VAL QG 1 64 PRO QD . . 3.980 3.064 2.722 3.487 . 0 0 "[ . 1 . 2]" 1
1218 1 38 VAL QG 1 67 MET QB . . 4.350 3.197 2.701 3.518 . 0 0 "[ . 1 . 2]" 1
1219 1 38 VAL QG 1 67 MET ME . . 2.910 1.795 1.723 2.004 . 0 0 "[ . 1 . 2]" 1
1220 1 38 VAL QG 1 68 PHE QD . . 4.710 4.470 4.376 4.708 . 0 0 "[ . 1 . 2]" 1
1221 1 38 VAL QG 1 68 PHE QE . . 3.680 2.908 2.780 3.123 . 0 0 "[ . 1 . 2]" 1
1222 1 38 VAL QG 1 68 PHE HZ . . 3.760 1.930 1.884 2.053 . 0 0 "[ . 1 . 2]" 1
1223 1 39 GLU H 1 39 GLU QB . . 3.410 2.621 2.464 2.763 . 0 0 "[ . 1 . 2]" 1
1224 1 39 GLU H 1 39 GLU QG . . 4.130 2.882 2.566 3.348 . 0 0 "[ . 1 . 2]" 1
1225 1 39 GLU HA 1 39 GLU QG . . 3.610 2.457 2.312 2.581 . 0 0 "[ . 1 . 2]" 1
1226 1 39 GLU QB 1 40 GLY H . . 4.440 3.745 3.489 3.907 . 0 0 "[ . 1 . 2]" 1
1227 1 39 GLU QG 1 40 GLY H . . 4.770 4.473 4.256 4.578 . 0 0 "[ . 1 . 2]" 1
1228 1 39 GLU QG 1 104 ILE H . . 3.730 1.950 1.865 2.208 . 0 0 "[ . 1 . 2]" 1
1229 1 39 GLU QG 1 104 ILE MG . . 5.090 4.336 4.029 4.654 . 0 0 "[ . 1 . 2]" 1
1230 1 39 GLU QG 1 104 ILE HG13 . . 4.360 3.417 3.066 3.982 . 0 0 "[ . 1 . 2]" 1
1231 1 39 GLU QG 1 104 ILE MD . . 3.770 3.441 3.055 3.643 . 0 0 "[ . 1 . 2]" 1
1232 1 40 GLY HA3 1 64 PRO QG . . 5.220 4.391 3.982 4.785 . 0 0 "[ . 1 . 2]" 1
1233 1 41 PHE HA 1 101 GLU QG . . 4.730 3.622 3.206 4.208 . 0 0 "[ . 1 . 2]" 1
1234 1 41 PHE QB 1 42 VAL H . . 3.520 2.470 2.229 3.111 . 0 0 "[ . 1 . 2]" 1
1235 1 41 PHE QB 1 99 THR MG . . 4.390 3.328 2.732 4.433 0.043 18 0 "[ . 1 . 2]" 1
1236 1 41 PHE QB 1 101 GLU HA . . 4.360 2.770 2.254 3.288 . 0 0 "[ . 1 . 2]" 1
1237 1 41 PHE QB 1 101 GLU QG . . 3.900 2.588 2.034 3.106 . 0 0 "[ . 1 . 2]" 1
1238 1 42 VAL H 1 42 VAL QG . . 3.710 2.636 1.905 3.110 . 0 0 "[ . 1 . 2]" 1
1239 1 42 VAL HB 1 68 PHE QB . . 5.340 4.764 4.278 4.999 . 0 0 "[ . 1 . 2]" 1
1240 1 42 VAL HB 1 98 VAL QG . . 5.290 4.519 4.193 5.188 . 0 0 "[ . 1 . 2]" 1
1241 1 42 VAL HB 1 100 VAL QG . . 4.590 2.834 1.872 4.412 . 0 0 "[ . 1 . 2]" 1
1242 1 42 VAL QG 1 43 THR H . . 4.290 2.978 2.029 3.617 . 0 0 "[ . 1 . 2]" 1
1243 1 42 VAL QG 1 62 ALA HA . . 4.490 3.584 2.772 4.063 . 0 0 "[ . 1 . 2]" 1
1244 1 42 VAL QG 1 62 ALA MB . . 2.990 2.387 1.844 2.785 . 0 0 "[ . 1 . 2]" 1
1245 1 42 VAL QG 1 68 PHE HA . . 4.480 4.381 4.122 4.610 0.130 14 0 "[ . 1 . 2]" 1
1246 1 42 VAL QG 1 68 PHE QB . . 3.170 2.258 1.970 2.434 . 0 0 "[ . 1 . 2]" 1
1247 1 42 VAL QG 1 68 PHE QD . . 4.020 2.733 2.156 3.273 . 0 0 "[ . 1 . 2]" 1
1248 1 42 VAL QG 1 69 GLU HA . . 3.950 3.077 1.940 3.538 . 0 0 "[ . 1 . 2]" 1
1249 1 42 VAL QG 1 70 ARG H . . 5.440 5.354 4.558 5.584 0.144 7 0 "[ . 1 . 2]" 1
1250 1 42 VAL QG 1 72 ALA H . . 5.060 3.647 3.375 3.957 . 0 0 "[ . 1 . 2]" 1
1251 1 42 VAL QG 1 72 ALA HA . . 4.950 3.429 2.927 4.209 . 0 0 "[ . 1 . 2]" 1
1252 1 42 VAL QG 1 72 ALA MB . . 2.820 1.779 1.637 2.339 . 0 0 "[ . 1 . 2]" 1
1253 1 42 VAL QG 1 100 VAL QG . . 3.680 2.448 1.755 3.711 0.031 18 0 "[ . 1 . 2]" 1
1254 1 42 VAL QG 1 102 PHE QD . . 4.570 2.641 2.085 2.961 . 0 0 "[ . 1 . 2]" 1
1255 1 42 VAL QG 1 102 PHE QE . . 3.800 2.168 1.830 2.605 . 0 0 "[ . 1 . 2]" 1
1256 1 42 VAL QG 1 102 PHE HZ . . 4.990 3.053 2.716 3.753 . 0 0 "[ . 1 . 2]" 1
1257 1 43 THR H 1 59 VAL QG . . 4.510 3.424 3.075 3.787 . 0 0 "[ . 1 . 2]" 1
1258 1 44 LEU HA 1 59 VAL QG . . 3.520 2.895 2.750 3.121 . 0 0 "[ . 1 . 2]" 1
1259 1 44 LEU HB2 1 98 VAL QG . . 3.930 2.419 2.201 2.947 . 0 0 "[ . 1 . 2]" 1
1260 1 44 LEU HB3 1 98 VAL QG . . 4.020 3.195 2.917 3.607 . 0 0 "[ . 1 . 2]" 1
1261 1 44 LEU MD1 1 69 GLU QG . . 3.560 3.493 3.202 3.698 0.138 17 0 "[ . 1 . 2]" 1
1262 1 44 LEU MD2 1 59 VAL QG . . 3.460 3.030 2.585 3.537 0.077 15 0 "[ . 1 . 2]" 1
1263 1 44 LEU MD2 1 73 MET QG . . 4.780 3.274 2.969 3.855 . 0 0 "[ . 1 . 2]" 1
1264 1 44 LEU MD2 1 76 LEU QB . . 3.500 2.251 1.946 2.677 . 0 0 "[ . 1 . 2]" 1
1265 1 45 SER H 1 45 SER QB . . 3.630 2.549 2.266 2.812 . 0 0 "[ . 1 . 2]" 1
1266 1 45 SER H 1 58 ASN QD . . 5.210 3.721 3.448 5.011 . 0 0 "[ . 1 . 2]" 1
1267 1 45 SER HA 1 60 VAL QG . . 4.690 4.115 3.601 4.548 . 0 0 "[ . 1 . 2]" 1
1268 1 45 SER QB 1 46 PHE H . . 4.030 3.633 3.353 3.887 . 0 0 "[ . 1 . 2]" 1
1269 1 45 SER QB 1 58 ASN H . . 5.340 4.442 3.869 4.824 . 0 0 "[ . 1 . 2]" 1
1270 1 45 SER QB 1 58 ASN HB3 . . 4.550 3.934 3.152 4.464 . 0 0 "[ . 1 . 2]" 1
1271 1 45 SER QB 1 60 VAL QG . . 2.880 2.122 1.822 2.383 . 0 0 "[ . 1 . 2]" 1
1272 1 45 SER QB 1 97 THR HA . . 5.340 3.978 3.582 4.496 . 0 0 "[ . 1 . 2]" 1
1273 1 45 SER QB 1 97 THR HB . . 5.340 4.246 3.594 5.155 . 0 0 "[ . 1 . 2]" 1
1274 1 45 SER QB 1 97 THR MG . . 3.140 2.495 2.010 3.080 . 0 0 "[ . 1 . 2]" 1
1275 1 46 PHE H 1 96 GLN QB . . 4.510 3.760 3.299 4.122 . 0 0 "[ . 1 . 2]" 1
1276 1 46 PHE H 1 96 GLN QG . . 5.340 4.671 3.790 5.427 0.087 8 0 "[ . 1 . 2]" 1
1277 1 46 PHE H 1 98 VAL QG . . 5.440 4.404 4.080 4.619 . 0 0 "[ . 1 . 2]" 1
1278 1 46 PHE HA 1 56 ASP QB . . 5.340 3.283 2.809 3.849 . 0 0 "[ . 1 . 2]" 1
1279 1 46 PHE QD 1 98 VAL QG . . 4.470 3.040 2.738 3.112 . 0 0 "[ . 1 . 2]" 1
1280 1 46 PHE QE 1 96 GLN QB . . 5.340 3.807 3.446 4.205 . 0 0 "[ . 1 . 2]" 1
1281 1 46 PHE QE 1 98 VAL QG . . 4.220 2.051 1.963 2.210 . 0 0 "[ . 1 . 2]" 1
1282 1 46 PHE HZ 1 98 VAL QG . . 4.950 3.780 3.519 3.878 . 0 0 "[ . 1 . 2]" 1
1283 1 47 THR H 1 56 ASP QB . . 4.030 2.808 2.332 3.432 . 0 0 "[ . 1 . 2]" 1
1284 1 47 THR HB 1 55 VAL QG . . 4.330 4.032 3.521 4.291 . 0 0 "[ . 1 . 2]" 1
1285 1 47 THR HB 1 56 ASP QB . . 4.630 4.439 4.076 4.649 0.019 7 0 "[ . 1 . 2]" 1
1286 1 47 THR MG 1 56 ASP QB . . 3.400 2.531 2.108 2.953 . 0 0 "[ . 1 . 2]" 1
1287 1 47 THR MG 1 94 PRO QB . . 3.220 2.726 2.165 3.060 . 0 0 "[ . 1 . 2]" 1
1288 1 47 THR MG 1 94 PRO QG . . 4.540 4.316 3.880 4.510 . 0 0 "[ . 1 . 2]" 1
1289 1 48 ILE H 1 93 GLN QG . . 4.600 2.982 2.170 4.513 . 0 0 "[ . 1 . 2]" 1
1290 1 48 ILE H 1 96 GLN QG . . 4.310 4.013 3.045 4.376 0.066 14 0 "[ . 1 . 2]" 1
1291 1 48 ILE HA 1 53 LYS QG . . 5.240 5.068 4.659 5.300 0.060 6 0 "[ . 1 . 2]" 1
1292 1 48 ILE HA 1 55 VAL QG . . 4.530 4.160 3.099 4.435 . 0 0 "[ . 1 . 2]" 1
1293 1 48 ILE HB 1 93 GLN QE . . 4.720 3.045 2.092 4.051 . 0 0 "[ . 1 . 2]" 1
1294 1 48 ILE MG 1 49 ASP QB . . 4.560 4.135 4.003 4.285 . 0 0 "[ . 1 . 2]" 1
1295 1 48 ILE MG 1 81 TYR QB . . 3.490 2.993 2.689 3.146 . 0 0 "[ . 1 . 2]" 1
1296 1 48 ILE MG 1 93 GLN QE . . 4.460 3.284 2.417 4.586 0.126 6 0 "[ . 1 . 2]" 1
1297 1 48 ILE MG 1 96 GLN QG . . 4.800 4.493 4.064 4.796 . 0 0 "[ . 1 . 2]" 1
1298 1 48 ILE MD 1 81 TYR QB . . 4.230 3.831 3.425 4.129 . 0 0 "[ . 1 . 2]" 1
1299 1 48 ILE MD 1 93 GLN QG . . 4.620 2.942 2.418 4.402 . 0 0 "[ . 1 . 2]" 1
1300 1 48 ILE MD 1 96 GLN QB . . 3.760 3.003 2.800 3.266 . 0 0 "[ . 1 . 2]" 1
1301 1 48 ILE MD 1 96 GLN QG . . 3.150 1.965 1.912 2.191 . 0 0 "[ . 1 . 2]" 1
1302 1 49 ASP H 1 49 ASP QB . . 3.570 2.161 2.047 2.615 . 0 0 "[ . 1 . 2]" 1
1303 1 49 ASP H 1 53 LYS QG . . 4.570 3.951 3.189 4.194 . 0 0 "[ . 1 . 2]" 1
1304 1 49 ASP H 1 55 VAL QG . . 3.570 3.397 2.728 3.593 0.023 1 0 "[ . 1 . 2]" 1
1305 1 49 ASP HA 1 55 VAL QG . . 4.800 4.404 3.920 4.804 0.004 11 0 "[ . 1 . 2]" 1
1306 1 49 ASP QB 1 50 THR H . . 3.630 3.266 2.528 3.464 . 0 0 "[ . 1 . 2]" 1
1307 1 49 ASP QB 1 55 VAL QG . . 3.260 2.962 2.694 3.208 . 0 0 "[ . 1 . 2]" 1
1308 1 50 THR H 1 92 GLU QB . . 5.340 4.250 2.907 4.917 . 0 0 "[ . 1 . 2]" 1
1309 1 50 THR H 1 92 GLU QG . . 5.340 4.189 3.631 5.365 0.025 15 0 "[ . 1 . 2]" 1
1310 1 50 THR HA 1 92 GLU QG . . 4.400 2.493 1.977 3.789 . 0 0 "[ . 1 . 2]" 1
1311 1 51 THR HA 1 53 LYS QB . . 5.340 5.260 5.052 5.359 0.019 7 0 "[ . 1 . 2]" 1
1312 1 52 GLY H 1 53 LYS QB . . 5.100 4.460 4.420 4.835 . 0 0 "[ . 1 . 2]" 1
1313 1 52 GLY HA2 1 53 LYS QB . . 5.200 4.688 4.644 4.814 . 0 0 "[ . 1 . 2]" 1
1314 1 52 GLY HA2 1 81 TYR QB . . 5.160 3.249 2.585 3.568 . 0 0 "[ . 1 . 2]" 1
1315 1 53 LYS H 1 53 LYS QB . . 3.160 2.491 2.390 2.980 . 0 0 "[ . 1 . 2]" 1
1316 1 53 LYS H 1 53 LYS QG . . 3.950 3.890 2.439 3.993 0.043 5 0 "[ . 1 . 2]" 1
1317 1 53 LYS QB 1 54 ALA H . . 3.880 3.673 3.117 3.843 . 0 0 "[ . 1 . 2]" 1
1318 1 53 LYS QG 1 54 ALA H . . 3.960 2.685 2.061 3.815 . 0 0 "[ . 1 . 2]" 1
1319 1 53 LYS QG 1 54 ALA HA . . 4.820 3.948 3.659 4.162 . 0 0 "[ . 1 . 2]" 1
1320 1 53 LYS QG 1 55 VAL H . . 5.340 3.984 3.617 4.662 . 0 0 "[ . 1 . 2]" 1
1321 1 53 LYS QG 1 55 VAL QG . . 4.180 1.980 1.805 2.258 . 0 0 "[ . 1 . 2]" 1
1322 1 54 ALA H 1 81 TYR QB . . 5.340 4.274 3.571 5.236 . 0 0 "[ . 1 . 2]" 1
1323 1 54 ALA HA 1 55 VAL QG . . 4.220 3.402 3.266 3.484 . 0 0 "[ . 1 . 2]" 1
1324 1 55 VAL H 1 55 VAL QG . . 2.940 2.132 1.921 2.395 . 0 0 "[ . 1 . 2]" 1
1325 1 55 VAL QG 1 56 ASP QB . . 4.650 2.731 2.414 2.998 . 0 0 "[ . 1 . 2]" 1
1326 1 56 ASP H 1 56 ASP QB . . 3.580 3.000 2.879 3.234 . 0 0 "[ . 1 . 2]" 1
1327 1 57 ILE MG 1 73 MET QG . . 3.630 2.508 2.050 3.176 . 0 0 "[ . 1 . 2]" 1
1328 1 57 ILE MG 1 76 LEU QB . . 5.340 3.090 2.749 3.453 . 0 0 "[ . 1 . 2]" 1
1329 1 57 ILE HG13 1 76 LEU QB . . 4.080 3.005 2.799 3.406 . 0 0 "[ . 1 . 2]" 1
1330 1 58 ASN HA 1 59 VAL QG . . 3.950 3.626 3.544 3.752 . 0 0 "[ . 1 . 2]" 1
1331 1 58 ASN HB3 1 58 ASN QD . . 3.440 2.341 2.098 3.337 . 0 0 "[ . 1 . 2]" 1
1332 1 58 ASN HB3 1 60 VAL QG . . 4.440 4.428 4.275 4.475 0.035 13 0 "[ . 1 . 2]" 1
1333 1 58 ASN QD 1 60 VAL QG . . 4.890 2.409 2.057 3.441 . 0 0 "[ . 1 . 2]" 1
1334 1 58 ASN QD 1 60 VAL MG2 . . 5.340 2.430 2.066 3.524 . 0 0 "[ . 1 . 2]" 1
1335 1 59 VAL H 1 59 VAL QG . . 3.040 2.147 1.880 2.424 . 0 0 "[ . 1 . 2]" 1
1336 1 59 VAL HA 1 59 VAL QG . . 2.650 2.174 2.042 2.372 . 0 0 "[ . 1 . 2]" 1
1337 1 59 VAL QG 1 60 VAL H . . 3.210 2.336 2.082 2.804 . 0 0 "[ . 1 . 2]" 1
1338 1 59 VAL QG 1 61 ASP H . . 3.010 2.202 1.923 2.488 . 0 0 "[ . 1 . 2]" 1
1339 1 59 VAL QG 1 62 ALA MB . . 2.670 2.309 1.897 2.666 . 0 0 "[ . 1 . 2]" 1
1340 1 59 VAL QG 1 69 GLU QG . . 2.580 2.525 2.196 2.701 0.121 8 0 "[ . 1 . 2]" 1
1341 1 59 VAL QG 1 73 MET HB2 . . 3.480 3.186 2.669 3.604 0.124 18 0 "[ . 1 . 2]" 1
1342 1 59 VAL QG 1 73 MET HB3 . . 5.370 4.495 4.012 4.915 . 0 0 "[ . 1 . 2]" 1
1343 1 60 VAL H 1 60 VAL QG . . 2.890 2.398 2.254 2.546 . 0 0 "[ . 1 . 2]" 1
1344 1 60 VAL HA 1 60 VAL QG . . 2.420 2.089 2.044 2.132 . 0 0 "[ . 1 . 2]" 1
1345 1 60 VAL QG 1 61 ASP HB2 . . 3.840 2.856 2.467 3.378 . 0 0 "[ . 1 . 2]" 1
1346 1 60 VAL QG 1 61 ASP HB3 . . 5.180 4.227 3.834 4.646 . 0 0 "[ . 1 . 2]" 1
1347 1 62 ALA HA 1 69 GLU QG . . 4.960 4.810 4.414 5.017 0.057 1 0 "[ . 1 . 2]" 1
1348 1 62 ALA MB 1 63 ASN QB . . 4.980 3.936 3.366 4.213 . 0 0 "[ . 1 . 2]" 1
1349 1 62 ALA MB 1 68 PHE QB . . 5.340 4.253 3.844 4.946 . 0 0 "[ . 1 . 2]" 1
1350 1 62 ALA MB 1 69 GLU QB . . 3.600 2.784 1.940 3.549 . 0 0 "[ . 1 . 2]" 1
1351 1 62 ALA MB 1 69 GLU QG . . 3.270 2.064 1.890 2.384 . 0 0 "[ . 1 . 2]" 1
1352 1 63 ASN QB 1 64 PRO QD . . 3.880 1.889 1.699 2.045 . 0 0 "[ . 1 . 2]" 1
1353 1 63 ASN QB 1 65 LYS H . . 5.160 2.605 2.074 4.708 . 0 0 "[ . 1 . 2]" 1
1354 1 63 ASN QB 1 67 MET QB . . 5.180 2.255 1.744 2.609 . 0 0 "[ . 1 . 2]" 1
1355 1 63 ASN QB 1 67 MET ME . . 4.780 4.215 3.947 4.489 . 0 0 "[ . 1 . 2]" 1
1356 1 63 ASN QB 1 68 PHE QD . . 5.340 2.467 1.907 3.205 . 0 0 "[ . 1 . 2]" 1
1357 1 64 PRO QB 1 65 LYS QB . . 4.290 3.343 3.045 4.028 . 0 0 "[ . 1 . 2]" 1
1358 1 64 PRO QG 1 65 LYS H . . 4.020 2.528 1.715 3.059 . 0 0 "[ . 1 . 2]" 1
1359 1 64 PRO QG 1 67 MET QG . . 4.750 2.907 2.359 3.585 . 0 0 "[ . 1 . 2]" 1
1360 1 64 PRO QG 1 68 PHE HZ . . 5.350 5.306 5.085 5.496 0.146 7 0 "[ . 1 . 2]" 1
1361 1 64 PRO QD 1 67 MET QB . . 4.840 3.358 2.428 3.811 . 0 0 "[ . 1 . 2]" 1
1362 1 64 PRO QD 1 67 MET QG . . 5.320 2.747 1.972 3.416 . 0 0 "[ . 1 . 2]" 1
1363 1 65 LYS H 1 65 LYS QB . . 3.480 2.868 2.531 2.985 . 0 0 "[ . 1 . 2]" 1
1364 1 65 LYS HA 1 65 LYS QG . . 2.960 2.291 2.032 2.617 . 0 0 "[ . 1 . 2]" 1
1365 1 65 LYS QB 1 65 LYS QG . . 2.330 2.043 1.995 2.086 . 0 0 "[ . 1 . 2]" 1
1366 1 66 ARG H 1 66 ARG QB . . 3.380 2.588 2.057 3.280 . 0 0 "[ . 1 . 2]" 1
1367 1 66 ARG HA 1 69 GLU QB . . 3.770 3.093 2.724 3.488 . 0 0 "[ . 1 . 2]" 1
1368 1 66 ARG HA 1 70 ARG QD . . 4.830 4.461 3.312 4.840 0.010 16 0 "[ . 1 . 2]" 1
1369 1 66 ARG QB 1 70 ARG QD . . 4.290 3.860 3.230 4.360 0.070 7 0 "[ . 1 . 2]" 1
1370 1 67 MET H 1 67 MET QG . . 4.390 3.036 2.718 3.453 . 0 0 "[ . 1 . 2]" 1
1371 1 67 MET H 1 68 PHE QB . . 5.340 5.017 4.726 5.162 . 0 0 "[ . 1 . 2]" 1
1372 1 67 MET H 1 69 GLU QB . . 3.530 3.117 2.867 3.287 . 0 0 "[ . 1 . 2]" 1
1373 1 67 MET QB 1 68 PHE H . . 3.180 2.082 1.885 2.571 . 0 0 "[ . 1 . 2]" 1
1374 1 67 MET QG 1 68 PHE H . . 5.340 3.805 3.577 4.188 . 0 0 "[ . 1 . 2]" 1
1375 1 68 PHE H 1 68 PHE QB . . 3.570 2.969 2.871 3.080 . 0 0 "[ . 1 . 2]" 1
1376 1 68 PHE H 1 69 GLU QB . . 4.320 3.691 3.421 3.854 . 0 0 "[ . 1 . 2]" 1
1377 1 68 PHE QB 1 100 VAL QG . . 5.280 5.142 4.108 5.424 0.144 20 0 "[ . 1 . 2]" 1
1378 1 68 PHE QB 1 102 PHE HB2 . . 5.020 4.224 3.877 4.629 . 0 0 "[ . 1 . 2]" 1
1379 1 68 PHE QB 1 102 PHE QE . . 4.740 2.726 2.057 3.683 . 0 0 "[ . 1 . 2]" 1
1380 1 69 GLU H 1 69 GLU QB . . 3.250 2.186 2.052 2.255 . 0 0 "[ . 1 . 2]" 1
1381 1 69 GLU H 1 69 GLU QG . . 4.570 3.872 3.554 4.003 . 0 0 "[ . 1 . 2]" 1
1382 1 69 GLU QB 1 70 ARG H . . 3.800 2.566 2.292 2.773 . 0 0 "[ . 1 . 2]" 1
1383 1 69 GLU QG 1 70 ARG H . . 5.340 3.968 3.355 4.314 . 0 0 "[ . 1 . 2]" 1
1384 1 69 GLU QG 1 70 ARG HA . . 5.250 4.200 3.437 4.959 . 0 0 "[ . 1 . 2]" 1
1385 1 70 ARG H 1 70 ARG QB . . 3.490 2.446 2.040 2.662 . 0 0 "[ . 1 . 2]" 1
1386 1 70 ARG H 1 70 ARG QD . . 5.340 3.127 1.964 4.007 . 0 0 "[ . 1 . 2]" 1
1387 1 70 ARG HA 1 70 ARG QB . . 2.630 2.353 2.172 2.538 . 0 0 "[ . 1 . 2]" 1
1388 1 70 ARG HA 1 70 ARG QD . . 4.580 3.583 2.124 4.481 . 0 0 "[ . 1 . 2]" 1
1389 1 70 ARG QB 1 71 GLU H . . 3.370 2.510 2.027 3.348 . 0 0 "[ . 1 . 2]" 1
1390 1 71 GLU H 1 71 GLU QB . . 3.100 2.429 2.113 2.661 . 0 0 "[ . 1 . 2]" 1
1391 1 71 GLU H 1 71 GLU QG . . 3.950 2.564 1.897 3.715 . 0 0 "[ . 1 . 2]" 1
1392 1 71 GLU HA 1 71 GLU QG . . 3.650 2.942 2.296 3.420 . 0 0 "[ . 1 . 2]" 1
1393 1 71 GLU QB 1 72 ALA H . . 3.260 2.830 2.395 3.409 0.149 15 0 "[ . 1 . 2]" 1
1394 1 71 GLU QG 1 72 ALA H . . 4.880 3.703 2.167 4.651 . 0 0 "[ . 1 . 2]" 1
1395 1 72 ALA MB 1 76 LEU QB . . 5.340 4.583 3.939 5.071 . 0 0 "[ . 1 . 2]" 1
1396 1 73 MET HA 1 76 LEU QB . . 4.050 3.123 2.705 3.307 . 0 0 "[ . 1 . 2]" 1
1397 1 73 MET ME 1 73 MET QG . . 3.410 2.194 2.067 2.444 . 0 0 "[ . 1 . 2]" 1
1398 1 75 ALA HA 1 78 LYS QB . . 3.830 2.675 2.401 3.113 . 0 0 "[ . 1 . 2]" 1
1399 1 75 ALA MB 1 78 LYS QB . . 4.420 4.118 3.892 4.417 . 0 0 "[ . 1 . 2]" 1
1400 1 76 LEU H 1 76 LEU QB . . 3.010 2.060 2.026 2.140 . 0 0 "[ . 1 . 2]" 1
1401 1 76 LEU H 1 77 LYS QB . . 5.340 4.568 4.460 4.894 . 0 0 "[ . 1 . 2]" 1
1402 1 76 LEU HA 1 98 VAL QG . . 5.280 4.934 4.613 5.273 . 0 0 "[ . 1 . 2]" 1
1403 1 76 LEU HG 1 98 VAL QG . . 3.780 3.546 3.227 3.796 0.016 3 0 "[ . 1 . 2]" 1
1404 1 76 LEU MD2 1 98 VAL QG . . 3.110 2.111 1.790 2.517 . 0 0 "[ . 1 . 2]" 1
1405 1 77 LYS H 1 77 LYS QB . . 2.840 2.229 2.076 2.443 . 0 0 "[ . 1 . 2]" 1
1406 1 77 LYS H 1 78 LYS QB . . 4.540 4.371 4.247 4.495 . 0 0 "[ . 1 . 2]" 1
1407 1 77 LYS QB 1 77 LYS QE . . 4.530 2.132 1.969 2.386 . 0 0 "[ . 1 . 2]" 1
1408 1 77 LYS QB 1 78 LYS H . . 4.020 2.466 2.048 2.746 . 0 0 "[ . 1 . 2]" 1
1409 1 78 LYS H 1 78 LYS QB . . 3.130 2.265 2.043 2.415 . 0 0 "[ . 1 . 2]" 1
1410 1 78 LYS H 1 78 LYS QG . . 3.830 3.066 2.228 4.023 0.193 9 0 "[ . 1 . 2]" 1
1411 1 78 LYS HA 1 78 LYS QG . . 3.690 2.461 2.042 3.092 . 0 0 "[ . 1 . 2]" 1
1412 1 78 LYS QB 1 79 TRP HD1 . . 5.080 3.670 3.495 3.828 . 0 0 "[ . 1 . 2]" 1
1413 1 78 LYS QB 1 79 TRP HE1 . . 5.340 5.135 4.887 5.356 0.016 10 0 "[ . 1 . 2]" 1
1414 1 78 LYS QG 1 79 TRP H . . 5.110 4.494 3.661 4.886 . 0 0 "[ . 1 . 2]" 1
1415 1 79 TRP HZ3 1 98 VAL QG . . 4.030 2.901 2.286 3.114 . 0 0 "[ . 1 . 2]" 1
1416 1 79 TRP HH2 1 98 VAL QG . . 3.230 2.882 2.627 3.170 . 0 0 "[ . 1 . 2]" 1
1417 1 79 TRP HH2 1 100 VAL QG . . 4.960 4.302 3.377 4.740 . 0 0 "[ . 1 . 2]" 1
1418 1 80 LYS H 1 80 LYS QB . . 3.520 2.566 2.423 2.651 . 0 0 "[ . 1 . 2]" 1
1419 1 80 LYS HA 1 80 LYS QG . . 3.110 2.324 2.002 2.549 . 0 0 "[ . 1 . 2]" 1
1420 1 81 TYR H 1 81 TYR QB . . 3.400 2.440 2.352 2.522 . 0 0 "[ . 1 . 2]" 1
1421 1 81 TYR QD 1 82 GLN QB . . 5.340 3.907 3.725 4.141 . 0 0 "[ . 1 . 2]" 1
1422 1 82 GLN H 1 82 GLN QB . . 3.120 2.346 2.255 2.413 . 0 0 "[ . 1 . 2]" 1
1423 1 82 GLN H 1 82 GLN QG . . 4.730 4.026 3.901 4.177 . 0 0 "[ . 1 . 2]" 1
1424 1 82 GLN HA 1 82 GLN QG . . 3.540 2.519 2.100 2.782 . 0 0 "[ . 1 . 2]" 1
1425 1 82 GLN QB 1 83 PRO HD2 . . 4.560 3.362 3.197 3.545 . 0 0 "[ . 1 . 2]" 1
1426 1 82 GLN QG 1 83 PRO HD2 . . 3.890 1.973 1.901 2.409 . 0 0 "[ . 1 . 2]" 1
1427 1 82 GLN QG 1 83 PRO HD3 . . 4.290 3.396 3.199 3.803 . 0 0 "[ . 1 . 2]" 1
1428 1 82 GLN QG 1 84 GLN HG2 . . 4.170 3.642 3.091 4.173 0.003 8 0 "[ . 1 . 2]" 1
1429 1 82 GLN QG 1 84 GLN HG3 . . 5.340 2.162 1.971 3.039 . 0 0 "[ . 1 . 2]" 1
1430 1 82 GLN QG 1 91 ILE MD . . 5.340 4.983 4.585 5.402 0.062 8 0 "[ . 1 . 2]" 1
1431 1 83 PRO HA 1 91 ILE QG . . 4.620 2.467 1.895 2.874 . 0 0 "[ . 1 . 2]" 1
1432 1 83 PRO HB2 1 91 ILE QG . . 4.370 3.514 3.194 4.317 . 0 0 "[ . 1 . 2]" 1
1433 1 83 PRO HB3 1 91 ILE QG . . 3.900 3.698 3.362 3.948 0.048 6 0 "[ . 1 . 2]" 1
1434 1 84 GLN H 1 84 GLN QB . . 3.390 2.521 2.285 2.750 . 0 0 "[ . 1 . 2]" 1
1435 1 84 GLN QB 1 85 ILE H . . 3.830 3.459 3.359 3.603 . 0 0 "[ . 1 . 2]" 1
1436 1 84 GLN QB 1 86 VAL H . . 5.340 4.736 4.404 4.918 . 0 0 "[ . 1 . 2]" 1
1437 1 85 ILE H 1 86 VAL QG . . 5.160 5.100 4.896 5.175 0.015 12 0 "[ . 1 . 2]" 1
1438 1 85 ILE H 1 91 ILE QG . . 4.710 3.916 3.452 4.617 . 0 0 "[ . 1 . 2]" 1
1439 1 85 ILE HA 1 91 ILE QG . . 4.550 3.469 3.065 3.896 . 0 0 "[ . 1 . 2]" 1
1440 1 85 ILE MG 1 86 VAL QG . . 4.440 4.100 3.945 4.221 . 0 0 "[ . 1 . 2]" 1
1441 1 85 ILE HG12 1 91 ILE QG . . 3.610 2.168 1.963 3.641 0.031 11 0 "[ . 1 . 2]" 1
1442 1 85 ILE MD 1 92 GLU QG . . 4.090 3.701 3.484 3.931 . 0 0 "[ . 1 . 2]" 1
1443 1 86 VAL H 1 86 VAL QG . . 3.340 2.199 2.080 2.335 . 0 0 "[ . 1 . 2]" 1
1444 1 86 VAL HA 1 86 VAL QG . . 2.850 2.164 2.121 2.227 . 0 0 "[ . 1 . 2]" 1
1445 1 86 VAL QG 1 87 ASP HA . . 4.660 3.780 3.726 3.816 . 0 0 "[ . 1 . 2]" 1
1446 1 86 VAL QG 1 87 ASP QB . . 3.260 3.013 2.857 3.270 0.010 18 0 "[ . 1 . 2]" 1
1447 1 86 VAL QG 1 89 LYS H . . 5.270 2.667 2.336 3.058 . 0 0 "[ . 1 . 2]" 1
1448 1 88 GLY QA 1 89 LYS HB2 . . 5.340 4.429 4.001 5.298 . 0 0 "[ . 1 . 2]" 1
1449 1 88 GLY QA 1 89 LYS HB3 . . 5.340 5.251 4.610 5.340 . 0 0 "[ . 1 . 2]" 1
1450 1 88 GLY QA 1 89 LYS QG . . 4.760 3.450 2.920 4.614 . 0 0 "[ . 1 . 2]" 1
1451 1 89 LYS H 1 89 LYS QG . . 4.370 3.269 1.912 4.061 . 0 0 "[ . 1 . 2]" 1
1452 1 90 ALA HA 1 91 ILE QG . . 4.520 3.319 3.068 3.411 . 0 0 "[ . 1 . 2]" 1
1453 1 91 ILE H 1 92 GLU QG . . 4.500 3.659 3.478 3.853 . 0 0 "[ . 1 . 2]" 1
1454 1 91 ILE HB 1 92 GLU QG . . 3.210 2.488 2.311 3.041 . 0 0 "[ . 1 . 2]" 1
1455 1 91 ILE QG 1 91 ILE MG . . 2.740 2.238 1.925 2.302 . 0 0 "[ . 1 . 2]" 1
1456 1 91 ILE MG 1 92 GLU QG . . 5.270 3.348 2.960 4.036 . 0 0 "[ . 1 . 2]" 1
1457 1 92 GLU H 1 92 GLU QG . . 3.410 2.841 2.613 3.395 . 0 0 "[ . 1 . 2]" 1
1458 1 92 GLU HA 1 92 GLU QG . . 3.500 2.823 2.564 3.339 . 0 0 "[ . 1 . 2]" 1
1459 1 92 GLU QB 1 92 GLU QG . . 2.300 2.063 2.041 2.086 . 0 0 "[ . 1 . 2]" 1
1460 1 93 GLN H 1 93 GLN QG . . 4.200 2.488 1.909 4.125 . 0 0 "[ . 1 . 2]" 1
1461 1 93 GLN HA 1 93 GLN QG . . 3.710 3.214 2.262 3.424 . 0 0 "[ . 1 . 2]" 1
1462 1 93 GLN HA 1 94 PRO QG . . 4.520 3.787 3.766 3.812 . 0 0 "[ . 1 . 2]" 1
1463 1 93 GLN QG 1 94 PRO HA . . 4.880 4.709 4.280 4.861 . 0 0 "[ . 1 . 2]" 1
1464 1 93 GLN QG 1 95 GLY H . . 4.160 3.954 2.043 4.232 0.072 9 0 "[ . 1 . 2]" 1
1465 1 94 PRO QB 1 95 GLY H . . 3.860 3.544 2.846 3.633 . 0 0 "[ . 1 . 2]" 1
1466 1 94 PRO QG 1 95 GLY H . . 4.530 2.930 1.931 3.079 . 0 0 "[ . 1 . 2]" 1
1467 1 96 GLN H 1 96 GLN QB . . 3.250 2.398 2.198 2.718 . 0 0 "[ . 1 . 2]" 1
1468 1 96 GLN H 1 96 GLN QG . . 4.350 3.792 2.951 4.141 . 0 0 "[ . 1 . 2]" 1
1469 1 96 GLN H 1 96 GLN QE . . 4.950 4.671 3.651 4.999 0.049 1 0 "[ . 1 . 2]" 1
1470 1 96 GLN HA 1 96 GLN QG . . 3.510 2.909 2.493 3.219 . 0 0 "[ . 1 . 2]" 1
1471 1 96 GLN QB 1 97 THR H . . 4.110 3.554 2.725 3.974 . 0 0 "[ . 1 . 2]" 1
1472 1 96 GLN QG 1 97 THR H . . 4.660 3.594 2.389 4.711 0.051 15 0 "[ . 1 . 2]" 1
1473 1 96 GLN QE 1 97 THR H . . 4.720 2.801 1.846 4.317 . 0 0 "[ . 1 . 2]" 1
1474 1 98 VAL HA 1 100 VAL QG . . 5.440 5.205 4.357 5.451 0.011 17 0 "[ . 1 . 2]" 1
1475 1 98 VAL QG 1 100 VAL HA . . 5.270 4.733 4.157 4.917 . 0 0 "[ . 1 . 2]" 1
1476 1 98 VAL QG 1 100 VAL HB . . 4.960 3.574 3.270 4.717 . 0 0 "[ . 1 . 2]" 1
1477 1 98 VAL QG 1 100 VAL QG . . 3.730 2.772 2.156 2.964 . 0 0 "[ . 1 . 2]" 1
1478 1 100 VAL HA 1 100 VAL QG . . 2.820 2.231 2.043 2.322 . 0 0 "[ . 1 . 2]" 1
1479 1 100 VAL QG 1 101 GLU H . . 3.300 2.349 1.967 3.249 . 0 0 "[ . 1 . 2]" 1
1480 1 100 VAL QG 1 101 GLU HA . . 5.440 3.656 3.535 3.839 . 0 0 "[ . 1 . 2]" 1
1481 1 100 VAL QG 1 101 GLU QB . . 4.990 3.744 3.521 4.537 . 0 0 "[ . 1 . 2]" 1
1482 1 100 VAL QG 1 102 PHE QD . . 4.510 2.722 1.994 3.216 . 0 0 "[ . 1 . 2]" 1
1483 1 100 VAL QG 1 102 PHE QE . . 3.790 2.226 1.901 2.559 . 0 0 "[ . 1 . 2]" 1
1484 1 100 VAL QG 1 102 PHE HZ . . 4.410 3.939 3.334 4.313 . 0 0 "[ . 1 . 2]" 1
1485 1 101 GLU H 1 101 GLU QB . . 3.180 2.339 2.184 2.585 . 0 0 "[ . 1 . 2]" 1
1486 1 101 GLU HA 1 101 GLU QG . . 3.320 2.349 2.071 2.573 . 0 0 "[ . 1 . 2]" 1
1487 1 103 LYS H 1 103 LYS QB . . 3.220 2.704 2.319 3.170 . 0 0 "[ . 1 . 2]" 1
1488 1 103 LYS H 1 103 LYS QG . . 4.630 2.754 1.922 4.189 . 0 0 "[ . 1 . 2]" 1
1489 1 103 LYS HA 1 103 LYS QG . . 3.690 2.863 2.322 3.421 . 0 0 "[ . 1 . 2]" 1
1490 1 103 LYS QB 1 103 LYS QE . . 4.250 2.816 1.965 3.747 . 0 0 "[ . 1 . 2]" 1
1491 1 103 LYS QB 1 104 ILE H . . 3.790 3.284 2.378 3.824 0.034 4 0 "[ . 1 . 2]" 1
1492 1 106 LYS H 1 106 LYS QB . . 3.210 2.628 2.223 3.210 . 0 0 "[ . 1 . 2]" 1
1493 1 106 LYS H 1 106 LYS QG . . 4.610 2.628 1.940 4.016 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 218
_Distance_constraint_stats_list.Viol_total 343.476
_Distance_constraint_stats_list.Viol_max 0.326
_Distance_constraint_stats_list.Viol_rms 0.0466
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0187
_Distance_constraint_stats_list.Viol_average_violations_only 0.0788
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 40 GLY 0.424 0.063 1 0 "[ . 1 . 2]"
1 42 VAL 0.168 0.057 1 0 "[ . 1 . 2]"
1 43 THR 5.606 0.181 18 0 "[ . 1 . 2]"
1 44 LEU 0.558 0.085 17 0 "[ . 1 . 2]"
1 45 SER 0.113 0.036 1 0 "[ . 1 . 2]"
1 46 PHE 0.450 0.085 6 0 "[ . 1 . 2]"
1 47 THR 0.122 0.027 2 0 "[ . 1 . 2]"
1 48 ILE 1.631 0.129 14 0 "[ . 1 . 2]"
1 49 ASP 7.342 0.326 16 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 7.342 0.326 16 0 "[ . 1 . 2]"
1 55 VAL 0.122 0.027 2 0 "[ . 1 . 2]"
1 58 ASN 0.113 0.036 1 0 "[ . 1 . 2]"
1 60 VAL 1.351 0.180 15 0 "[ . 1 . 2]"
1 61 ASP 4.255 0.181 18 0 "[ . 1 . 2]"
1 68 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ARG 0.051 0.044 18 0 "[ . 1 . 2]"
1 71 GLU 0.069 0.021 3 0 "[ . 1 . 2]"
1 72 ALA 0.096 0.057 16 0 "[ . 1 . 2]"
1 73 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLN 0.051 0.044 18 0 "[ . 1 . 2]"
1 75 ALA 0.613 0.095 6 0 "[ . 1 . 2]"
1 76 LEU 0.096 0.057 16 0 "[ . 1 . 2]"
1 79 TRP 0.543 0.095 6 0 "[ . 1 . 2]"
1 93 GLN 1.631 0.129 14 0 "[ . 1 . 2]"
1 96 GLN 0.450 0.085 6 0 "[ . 1 . 2]"
1 98 VAL 0.558 0.085 17 0 "[ . 1 . 2]"
1 100 VAL 0.168 0.057 1 0 "[ . 1 . 2]"
1 102 PHE 0.424 0.063 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 42 VAL H 1 100 VAL O . . 2.300 2.047 1.800 2.299 . 0 0 "[ . 1 . 2]" 2
2 1 42 VAL N 1 100 VAL O . . 3.300 2.928 2.740 3.188 . 0 0 "[ . 1 . 2]" 2
3 1 43 THR H 1 61 ASP O . . 2.300 2.124 1.788 2.340 0.040 19 0 "[ . 1 . 2]" 2
4 1 43 THR N 1 61 ASP O . . 3.300 2.803 2.660 2.994 . 0 0 "[ . 1 . 2]" 2
5 1 44 LEU H 1 98 VAL O . . 2.300 2.320 2.228 2.385 0.085 17 0 "[ . 1 . 2]" 2
6 1 44 LEU N 1 98 VAL O . . 3.300 3.245 3.162 3.300 0.000 17 0 "[ . 1 . 2]" 2
7 1 45 SER H 1 58 ASN O . . 2.300 1.845 1.793 1.987 . 0 0 "[ . 1 . 2]" 2
8 1 45 SER N 1 58 ASN O . . 3.300 2.739 2.694 2.942 . 0 0 "[ . 1 . 2]" 2
9 1 46 PHE H 1 96 GLN O . . 2.300 2.303 2.139 2.385 0.085 6 0 "[ . 1 . 2]" 2
10 1 46 PHE N 1 96 GLN O . . 3.300 3.129 2.972 3.237 . 0 0 "[ . 1 . 2]" 2
11 1 47 THR H 1 55 VAL O . . 2.300 2.104 1.818 2.277 . 0 0 "[ . 1 . 2]" 2
12 1 47 THR N 1 55 VAL O . . 3.300 3.067 2.770 3.215 . 0 0 "[ . 1 . 2]" 2
13 1 48 ILE H 1 93 GLN O . . 2.300 2.346 2.049 2.429 0.129 14 0 "[ . 1 . 2]" 2
14 1 48 ILE N 1 93 GLN O . . 3.300 3.272 2.994 3.369 0.069 9 0 "[ . 1 . 2]" 2
15 1 49 ASP H 1 53 LYS O . . 2.300 1.795 1.756 1.854 . 0 0 "[ . 1 . 2]" 2
16 1 49 ASP N 1 53 LYS O . . 3.300 2.706 2.676 2.741 . 0 0 "[ . 1 . 2]" 2
17 1 49 ASP O 1 52 GLY H . . 2.300 1.974 1.843 2.136 . 0 0 "[ . 1 . 2]" 2
18 1 49 ASP O 1 52 GLY N . . 3.300 2.677 2.587 2.759 . 0 0 "[ . 1 . 2]" 2
19 1 49 ASP O 1 53 LYS H . . 2.300 2.526 2.493 2.626 0.326 16 0 "[ . 1 . 2]" 2
20 1 49 ASP O 1 53 LYS N . . 3.300 3.441 3.416 3.519 0.219 10 0 "[ . 1 . 2]" 2
21 1 47 THR O 1 55 VAL H . . 2.300 2.135 1.809 2.327 0.027 2 0 "[ . 1 . 2]" 2
22 1 47 THR O 1 55 VAL N . . 3.300 3.092 2.739 3.298 . 0 0 "[ . 1 . 2]" 2
23 1 45 SER O 1 58 ASN H . . 2.300 2.135 1.795 2.336 0.036 1 0 "[ . 1 . 2]" 2
24 1 45 SER O 1 58 ASN N . . 3.300 3.003 2.741 3.234 . 0 0 "[ . 1 . 2]" 2
25 1 43 THR O 1 60 VAL H . . 2.300 2.348 2.165 2.480 0.180 15 0 "[ . 1 . 2]" 2
26 1 43 THR O 1 60 VAL N . . 3.300 3.200 3.022 3.328 0.028 16 0 "[ . 1 . 2]" 2
27 1 43 THR O 1 61 ASP H . . 2.300 2.419 2.370 2.481 0.181 18 0 "[ . 1 . 2]" 2
28 1 43 THR O 1 61 ASP N . . 3.300 3.390 3.337 3.454 0.154 18 0 "[ . 1 . 2]" 2
29 1 68 PHE O 1 72 ALA H . . 2.300 2.004 1.756 2.263 . 0 0 "[ . 1 . 2]" 2
30 1 68 PHE O 1 72 ALA N . . 3.300 2.904 2.716 3.096 . 0 0 "[ . 1 . 2]" 2
31 1 69 GLU O 1 73 MET H . . 2.300 1.906 1.776 2.165 . 0 0 "[ . 1 . 2]" 2
32 1 69 GLU O 1 73 MET N . . 3.300 2.828 2.722 3.041 . 0 0 "[ . 1 . 2]" 2
33 1 70 ARG O 1 74 GLN H . . 2.300 1.954 1.764 2.344 0.044 18 0 "[ . 1 . 2]" 2
34 1 70 ARG O 1 74 GLN N . . 3.300 2.905 2.693 3.307 0.007 18 0 "[ . 1 . 2]" 2
35 1 71 GLU O 1 75 ALA H . . 2.300 2.135 1.927 2.321 0.021 3 0 "[ . 1 . 2]" 2
36 1 71 GLU O 1 75 ALA N . . 3.300 2.919 2.745 3.072 . 0 0 "[ . 1 . 2]" 2
37 1 72 ALA O 1 76 LEU H . . 2.300 2.105 1.790 2.357 0.057 16 0 "[ . 1 . 2]" 2
38 1 72 ALA O 1 76 LEU N . . 3.300 3.069 2.754 3.317 0.017 16 0 "[ . 1 . 2]" 2
39 1 75 ALA O 1 79 TRP H . . 2.300 2.138 1.794 2.395 0.095 6 0 "[ . 1 . 2]" 2
40 1 75 ALA O 1 79 TRP N . . 3.300 2.693 2.670 2.731 . 0 0 "[ . 1 . 2]" 2
41 1 44 LEU O 1 98 VAL H . . 2.300 2.155 2.054 2.276 . 0 0 "[ . 1 . 2]" 2
42 1 44 LEU O 1 98 VAL N . . 3.300 3.117 3.009 3.239 . 0 0 "[ . 1 . 2]" 2
43 1 42 VAL O 1 100 VAL H . . 2.300 2.163 1.940 2.357 0.057 1 0 "[ . 1 . 2]" 2
44 1 42 VAL O 1 100 VAL N . . 3.300 3.096 2.892 3.283 . 0 0 "[ . 1 . 2]" 2
45 1 40 GLY O 1 102 PHE H . . 2.300 2.256 1.903 2.363 0.063 1 0 "[ . 1 . 2]" 2
46 1 40 GLY O 1 102 PHE N . . 3.300 3.125 2.781 3.321 0.021 16 0 "[ . 1 . 2]" 2
stop_
save_
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