NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
597758 |
2n8q   |
18567 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n8q
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 858
_Distance_constraint_stats_list.Viol_count 1771
_Distance_constraint_stats_list.Viol_total 1802.559
_Distance_constraint_stats_list.Viol_max 0.522
_Distance_constraint_stats_list.Viol_rms 0.0210
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0463
_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 24 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 ILE 0.077 0.033 15 0 "[ . 1 . 2 ]"
1 33 ALA 0.342 0.168 13 0 "[ . 1 . 2 ]"
1 34 GLY 1.839 0.276 7 0 "[ . 1 . 2 ]"
1 35 ALA 0.468 0.053 1 0 "[ . 1 . 2 ]"
1 36 ILE 2.218 0.168 13 0 "[ . 1 . 2 ]"
1 37 LYS 0.749 0.045 7 0 "[ . 1 . 2 ]"
1 38 SER 2.953 0.134 8 0 "[ . 1 . 2 ]"
1 39 LYS 6.640 0.522 12 1 "[ . 1 + . 2 ]"
1 40 VAL 4.074 0.522 12 1 "[ . 1 + . 2 ]"
1 41 GLU 2.560 0.112 7 0 "[ . 1 . 2 ]"
1 42 ALA 1.459 0.117 13 0 "[ . 1 . 2 ]"
1 43 ALA 1.790 0.143 6 0 "[ . 1 . 2 ]"
1 44 LEU 0.842 0.162 5 0 "[ . 1 . 2 ]"
1 45 SER 0.253 0.073 15 0 "[ . 1 . 2 ]"
1 47 THR 3.810 0.162 3 0 "[ . 1 . 2 ]"
1 48 HIS 0.911 0.084 8 0 "[ . 1 . 2 ]"
1 49 PHE 2.292 0.241 19 0 "[ . 1 . 2 ]"
1 50 LYS 1.947 0.326 17 0 "[ . 1 . 2 ]"
1 51 LEU 3.548 0.326 17 0 "[ . 1 . 2 ]"
1 52 ILE 3.188 0.197 17 0 "[ . 1 . 2 ]"
1 53 ASN 3.982 0.275 15 0 "[ . 1 . 2 ]"
1 54 ASP 2.326 0.260 11 0 "[ . 1 . 2 ]"
1 55 SER 2.723 0.194 18 0 "[ . 1 . 2 ]"
1 56 HIS 0.775 0.215 18 0 "[ . 1 . 2 ]"
1 57 LYS 0.757 0.415 19 0 "[ . 1 . 2 ]"
1 58 HIS 0.415 0.415 19 0 "[ . 1 . 2 ]"
1 59 ALA 0.207 0.139 8 0 "[ . 1 . 2 ]"
1 60 GLY 0.290 0.122 8 0 "[ . 1 . 2 ]"
1 61 HIS 0.456 0.159 17 0 "[ . 1 . 2 ]"
1 62 TYR 0.489 0.159 17 0 "[ . 1 . 2 ]"
1 63 ALA 0.178 0.108 10 0 "[ . 1 . 2 ]"
1 64 ARG 0.140 0.043 19 0 "[ . 1 . 2 ]"
1 65 ASP 0.200 0.064 7 0 "[ . 1 . 2 ]"
1 66 GLY 0.170 0.064 7 0 "[ . 1 . 2 ]"
1 67 SER 0.557 0.313 17 0 "[ . 1 . 2 ]"
1 68 THR 0.512 0.313 17 0 "[ . 1 . 2 ]"
1 69 ALA 0.062 0.038 17 0 "[ . 1 . 2 ]"
1 70 SER 0.256 0.054 9 0 "[ . 1 . 2 ]"
1 71 ASP 0.192 0.019 21 0 "[ . 1 . 2 ]"
1 72 ALA 0.267 0.054 9 0 "[ . 1 . 2 ]"
1 73 GLY 0.080 0.042 17 0 "[ . 1 . 2 ]"
1 74 GLU 0.667 0.112 11 0 "[ . 1 . 2 ]"
1 75 THR 2.547 0.297 11 0 "[ . 1 . 2 ]"
1 76 HIS 4.383 0.173 22 0 "[ . 1 . 2 ]"
1 77 PHE 4.515 0.194 18 0 "[ . 1 . 2 ]"
1 78 ARG 4.228 0.197 17 0 "[ . 1 . 2 ]"
1 79 LEU 4.385 0.166 6 0 "[ . 1 . 2 ]"
1 80 GLU 2.096 0.249 12 0 "[ . 1 . 2 ]"
1 81 VAL 2.037 0.153 14 0 "[ . 1 . 2 ]"
1 82 THR 1.544 0.153 8 0 "[ . 1 . 2 ]"
1 83 SER 5.712 0.329 3 0 "[ . 1 . 2 ]"
1 84 ASP 0.441 0.082 21 0 "[ . 1 . 2 ]"
1 85 ALA 2.336 0.078 20 0 "[ . 1 . 2 ]"
1 86 PHE 1.899 0.129 2 0 "[ . 1 . 2 ]"
1 87 LYS 4.101 0.148 13 0 "[ . 1 . 2 ]"
1 88 GLY 1.169 0.252 19 0 "[ . 1 . 2 ]"
1 89 LEU 1.043 0.252 19 0 "[ . 1 . 2 ]"
1 90 THR 0.192 0.079 1 0 "[ . 1 . 2 ]"
1 91 LEU 1.522 0.146 16 0 "[ . 1 . 2 ]"
1 92 VAL 0.589 0.175 20 0 "[ . 1 . 2 ]"
1 93 LYS 2.626 0.124 20 0 "[ . 1 . 2 ]"
1 94 ARG 3.716 0.146 16 0 "[ . 1 . 2 ]"
1 95 HIS 2.636 0.086 12 0 "[ . 1 . 2 ]"
1 96 GLN 2.747 0.179 11 0 "[ . 1 . 2 ]"
1 97 LEU 0.838 0.079 16 0 "[ . 1 . 2 ]"
1 98 ILE 2.475 0.134 8 0 "[ . 1 . 2 ]"
1 99 TYR 0.864 0.179 11 0 "[ . 1 . 2 ]"
1 100 GLY 1.850 0.215 8 0 "[ . 1 . 2 ]"
1 101 LEU 1.367 0.153 19 0 "[ . 1 . 2 ]"
1 102 LEU 0.262 0.064 16 0 "[ . 1 . 2 ]"
1 103 SER 0.172 0.053 1 0 "[ . 1 . 2 ]"
1 104 ASP 3.639 0.276 7 0 "[ . 1 . 2 ]"
1 105 GLU 8.524 0.384 16 0 "[ . 1 . 2 ]"
1 106 PHE 5.125 0.356 4 0 "[ . 1 . 2 ]"
1 107 LYS 3.765 0.157 15 0 "[ . 1 . 2 ]"
1 108 ALA 1.581 0.260 11 0 "[ . 1 . 2 ]"
1 109 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 110 LEU 6.705 0.384 16 0 "[ . 1 . 2 ]"
1 111 HIS 1.964 0.297 11 0 "[ . 1 . 2 ]"
1 112 ALA 1.040 0.173 22 0 "[ . 1 . 2 ]"
1 113 LEU 0.766 0.103 12 0 "[ . 1 . 2 ]"
1 114 ALA 0.594 0.166 6 0 "[ . 1 . 2 ]"
1 115 MET 1.464 0.249 12 0 "[ . 1 . 2 ]"
1 116 THR 1.619 0.153 14 0 "[ . 1 . 2 ]"
1 117 THR 0.143 0.103 21 0 "[ . 1 . 2 ]"
1 118 LYS 1.891 0.329 3 0 "[ . 1 . 2 ]"
1 119 THR 3.071 0.128 3 0 "[ . 1 . 2 ]"
1 121 ALA 0.022 0.022 21 0 "[ . 1 . 2 ]"
1 122 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 123 GLN 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 24 MET HA 1 25 ALA H . . 5.000 2.438 2.142 3.560 . 0 0 "[ . 1 . 2 ]" 1
2 1 24 MET HG3 1 25 ALA H . . 5.000 3.996 2.314 4.928 . 0 0 "[ . 1 . 2 ]" 1
3 1 25 ALA HA 1 26 GLU H . . 5.000 2.378 2.146 2.706 . 0 0 "[ . 1 . 2 ]" 1
4 1 26 GLU HA 1 27 HIS H . . 5.000 2.490 2.146 3.567 . 0 0 "[ . 1 . 2 ]" 1
5 1 26 GLU HG2 1 27 HIS H . . 5.000 3.859 2.079 4.787 . 0 0 "[ . 1 . 2 ]" 1
6 1 28 GLN HA 1 29 LEU H . . 5.000 2.452 2.140 3.553 . 0 0 "[ . 1 . 2 ]" 1
7 1 29 LEU HA 1 30 GLY H . . 5.000 2.426 2.144 3.563 . 0 0 "[ . 1 . 2 ]" 1
8 1 29 LEU HG 1 30 GLY H . . 5.000 3.968 2.008 4.823 . 0 0 "[ . 1 . 2 ]" 1
9 1 32 ILE HA 1 33 ALA H . . 5.000 3.335 2.255 3.570 . 0 0 "[ . 1 . 2 ]" 1
10 1 32 ILE MD 1 52 ILE HA . . 5.500 3.912 2.508 5.533 0.033 15 0 "[ . 1 . 2 ]" 1
11 1 33 ALA HA 1 34 GLY H . . 5.000 2.598 2.146 3.576 . 0 0 "[ . 1 . 2 ]" 1
12 1 33 ALA HA 1 36 ILE H . . 5.000 4.460 3.850 4.663 . 0 0 "[ . 1 . 2 ]" 1
13 1 33 ALA HA 1 34 GLY HA2 . . 5.000 4.386 4.299 4.730 . 0 0 "[ . 1 . 2 ]" 1
14 1 33 ALA HA 1 36 ILE MG . . 5.200 4.187 2.212 4.810 . 0 0 "[ . 1 . 2 ]" 1
15 1 33 ALA HA 1 36 ILE MD . . 5.200 4.569 2.249 5.124 . 0 0 "[ . 1 . 2 ]" 1
16 1 33 ALA HA 1 36 ILE HB . . 5.000 4.673 4.502 5.168 0.168 13 0 "[ . 1 . 2 ]" 1
17 1 34 GLY HA2 1 35 ALA H . . 5.000 3.531 3.503 3.541 . 0 0 "[ . 1 . 2 ]" 1
18 1 34 GLY HA3 1 35 ALA H . . 5.000 2.848 2.812 2.932 . 0 0 "[ . 1 . 2 ]" 1
19 1 34 GLY HA2 1 37 LYS HG2 . . 5.900 5.246 3.338 5.912 0.012 18 0 "[ . 1 . 2 ]" 1
20 1 34 GLY H 1 35 ALA H . . 5.000 2.782 2.613 2.876 . 0 0 "[ . 1 . 2 ]" 1
21 1 34 GLY HA2 1 104 ASP HB2 . . 5.800 5.831 4.832 6.076 0.276 7 0 "[ . 1 . 2 ]" 1
22 1 34 GLY HA3 1 37 LYS HB2 . . 5.000 4.875 4.503 4.990 . 0 0 "[ . 1 . 2 ]" 1
23 1 34 GLY HA3 1 35 ALA MB . . 5.000 4.450 4.371 4.520 . 0 0 "[ . 1 . 2 ]" 1
24 1 34 GLY HA2 1 36 ILE H . . 5.000 3.991 3.856 4.518 . 0 0 "[ . 1 . 2 ]" 1
25 1 35 ALA HA 1 36 ILE H . . 3.500 3.480 3.461 3.544 0.044 9 0 "[ . 1 . 2 ]" 1
26 1 35 ALA HA 1 38 SER H . . 5.000 3.290 3.195 3.431 . 0 0 "[ . 1 . 2 ]" 1
27 1 35 ALA H 1 36 ILE H . . 3.500 2.654 2.633 2.755 . 0 0 "[ . 1 . 2 ]" 1
28 1 35 ALA MB 1 104 ASP H . . 5.000 3.731 3.138 4.298 . 0 0 "[ . 1 . 2 ]" 1
29 1 35 ALA H 1 104 ASP HB2 . . 5.400 3.792 2.972 4.670 . 0 0 "[ . 1 . 2 ]" 1
30 1 35 ALA H 1 103 SER HB2 . . 5.000 4.087 3.247 5.020 0.020 18 0 "[ . 1 . 2 ]" 1
31 1 35 ALA MB 1 103 SER HB2 . . 5.000 3.399 2.388 4.642 . 0 0 "[ . 1 . 2 ]" 1
32 1 35 ALA HA 1 103 SER HG . . 5.000 4.029 2.693 4.879 . 0 0 "[ . 1 . 2 ]" 1
33 1 35 ALA HA 1 103 SER HB2 . . 5.000 4.262 3.255 5.035 0.035 21 0 "[ . 1 . 2 ]" 1
34 1 35 ALA MB 1 103 SER H . . 5.200 4.863 4.141 5.253 0.053 1 0 "[ . 1 . 2 ]" 1
35 1 35 ALA HA 1 38 SER HG . . 5.600 4.725 3.797 5.199 . 0 0 "[ . 1 . 2 ]" 1
36 1 35 ALA HA 1 39 LYS H . . 5.600 4.741 4.556 4.860 . 0 0 "[ . 1 . 2 ]" 1
37 1 35 ALA MB 1 101 LEU HA . . 5.000 3.830 3.009 5.052 0.052 13 0 "[ . 1 . 2 ]" 1
38 1 35 ALA MB 1 79 LEU MD2 . . 6.000 4.387 3.490 5.264 . 0 0 "[ . 1 . 2 ]" 1
39 1 35 ALA MB 1 79 LEU HG . . 5.000 4.004 3.417 4.939 . 0 0 "[ . 1 . 2 ]" 1
40 1 35 ALA MB 1 100 GLY HA2 . . 5.000 3.674 3.157 4.846 . 0 0 "[ . 1 . 2 ]" 1
41 1 36 ILE HA 1 37 LYS H . . 3.500 3.493 3.471 3.503 0.003 8 0 "[ . 1 . 2 ]" 1
42 1 36 ILE H 1 37 LYS H . . 2.800 2.768 2.663 2.785 . 0 0 "[ . 1 . 2 ]" 1
43 1 36 ILE HA 1 39 LYS H . . 5.000 3.440 3.347 3.545 . 0 0 "[ . 1 . 2 ]" 1
44 1 36 ILE MG 1 37 LYS H . . 5.000 2.364 1.871 3.652 . 0 0 "[ . 1 . 2 ]" 1
45 1 36 ILE MG 1 39 LYS HG2 . . 5.300 4.510 4.094 5.431 0.131 1 0 "[ . 1 . 2 ]" 1
46 1 36 ILE HA 1 39 LYS HG2 . . 5.000 2.872 1.900 3.755 . 0 0 "[ . 1 . 2 ]" 1
47 1 36 ILE MG 1 39 LYS H . . 5.500 5.008 4.812 5.307 . 0 0 "[ . 1 . 2 ]" 1
48 1 36 ILE HA 1 39 LYS HB2 . . 5.200 4.303 2.995 4.889 . 0 0 "[ . 1 . 2 ]" 1
49 1 36 ILE HB 1 51 LEU MD2 . . 6.000 3.303 2.479 6.002 0.002 13 0 "[ . 1 . 2 ]" 1
50 1 36 ILE MG 1 51 LEU MD2 . . 5.000 3.926 3.407 4.174 . 0 0 "[ . 1 . 2 ]" 1
51 1 36 ILE H 1 51 LEU MD2 . . 5.400 3.069 2.355 4.322 . 0 0 "[ . 1 . 2 ]" 1
52 1 36 ILE MG 1 51 LEU MD1 . . 6.200 4.843 4.173 5.789 . 0 0 "[ . 1 . 2 ]" 1
53 1 36 ILE H 1 51 LEU MD1 . . 5.000 3.635 2.680 4.711 . 0 0 "[ . 1 . 2 ]" 1
54 1 36 ILE MG 1 40 VAL H . . 5.800 4.781 4.443 5.803 0.003 1 0 "[ . 1 . 2 ]" 1
55 1 36 ILE HA 1 40 VAL H . . 5.000 4.219 4.072 4.311 . 0 0 "[ . 1 . 2 ]" 1
56 1 36 ILE HA 1 40 VAL HB . . 5.800 5.853 5.665 5.920 0.120 21 0 "[ . 1 . 2 ]" 1
57 1 36 ILE HA 1 51 LEU MD1 . . 5.200 3.290 2.332 4.611 . 0 0 "[ . 1 . 2 ]" 1
58 1 37 LYS HA 1 38 SER H . . 3.500 3.533 3.520 3.545 0.045 7 0 "[ . 1 . 2 ]" 1
59 1 37 LYS HG2 1 38 SER H . . 5.000 4.896 4.365 4.996 . 0 0 "[ . 1 . 2 ]" 1
60 1 37 LYS H 1 38 SER H . . 2.800 2.664 2.597 2.704 . 0 0 "[ . 1 . 2 ]" 1
61 1 37 LYS HA 1 40 VAL H . . 5.000 3.526 3.396 3.669 . 0 0 "[ . 1 . 2 ]" 1
62 1 37 LYS HA 1 40 VAL MG2 . . 5.000 2.567 2.201 2.967 . 0 0 "[ . 1 . 2 ]" 1
63 1 37 LYS HA 1 40 VAL HB . . 5.000 2.784 2.536 3.065 . 0 0 "[ . 1 . 2 ]" 1
64 1 37 LYS HA 1 41 GLU H . . 5.000 4.593 4.515 4.663 . 0 0 "[ . 1 . 2 ]" 1
65 1 37 LYS HG2 1 40 VAL MG2 . . 5.300 4.066 3.532 5.305 0.005 18 0 "[ . 1 . 2 ]" 1
66 1 38 SER HA 1 39 LYS H . . 3.500 3.545 3.529 3.554 0.054 18 0 "[ . 1 . 2 ]" 1
67 1 38 SER HG 1 39 LYS H . . 5.000 4.529 2.503 4.943 . 0 0 "[ . 1 . 2 ]" 1
68 1 38 SER H 1 39 LYS H . . 3.000 2.674 2.619 2.732 . 0 0 "[ . 1 . 2 ]" 1
69 1 38 SER HA 1 41 GLU H . . 5.000 3.594 3.504 3.740 . 0 0 "[ . 1 . 2 ]" 1
70 1 38 SER HA 1 41 GLU HG3 . . 5.200 3.859 3.008 5.220 0.020 7 0 "[ . 1 . 2 ]" 1
71 1 38 SER HA 1 41 GLU HB2 . . 5.100 4.130 3.501 5.163 0.063 8 0 "[ . 1 . 2 ]" 1
72 1 38 SER HA 1 42 ALA H . . 5.600 5.141 4.854 5.559 . 0 0 "[ . 1 . 2 ]" 1
73 1 38 SER HB2 1 51 LEU MD1 . . 5.200 4.376 3.818 5.314 0.114 1 0 "[ . 1 . 2 ]" 1
74 1 38 SER HB3 1 98 ILE HB . . 5.000 2.283 1.958 4.011 . 0 0 "[ . 1 . 2 ]" 1
75 1 38 SER HB3 1 100 GLY HA2 . . 5.000 3.091 2.540 3.595 . 0 0 "[ . 1 . 2 ]" 1
76 1 38 SER HA 1 98 ILE HG13 . . 5.700 5.639 4.862 5.834 0.134 8 0 "[ . 1 . 2 ]" 1
77 1 38 SER HG 1 98 ILE HA . . 5.000 4.256 3.667 5.073 0.073 7 0 "[ . 1 . 2 ]" 1
78 1 39 LYS HA 1 40 VAL H . . 3.500 3.511 3.487 3.542 0.042 12 0 "[ . 1 . 2 ]" 1
79 1 39 LYS HG2 1 40 VAL H . . 5.000 2.809 2.238 4.554 . 0 0 "[ . 1 . 2 ]" 1
80 1 39 LYS HD2 1 40 VAL H . . 5.600 5.188 4.576 6.122 0.522 12 1 "[ . 1 + . 2 ]" 1
81 1 39 LYS HA 1 42 ALA H . . 3.500 3.488 3.433 3.537 0.037 5 0 "[ . 1 . 2 ]" 1
82 1 39 LYS HA 1 42 ALA MB . . 5.000 2.994 2.773 3.290 . 0 0 "[ . 1 . 2 ]" 1
83 1 39 LYS HA 1 43 ALA H . . 5.200 4.805 4.300 5.237 0.037 8 0 "[ . 1 . 2 ]" 1
84 1 39 LYS H 1 40 VAL H . . 2.800 2.639 2.572 2.714 . 0 0 "[ . 1 . 2 ]" 1
85 1 39 LYS H 1 49 PHE HB2 . . 5.800 5.787 5.362 6.041 0.241 19 0 "[ . 1 . 2 ]" 1
86 1 39 LYS HA 1 49 PHE HB2 . . 5.000 3.785 3.342 4.361 . 0 0 "[ . 1 . 2 ]" 1
87 1 39 LYS HB2 1 42 ALA H . . 5.300 5.238 4.973 5.416 0.116 21 0 "[ . 1 . 2 ]" 1
88 1 39 LYS HB2 1 43 ALA H . . 5.700 5.697 5.170 5.843 0.143 6 0 "[ . 1 . 2 ]" 1
89 1 39 LYS HG2 1 49 PHE HB2 . . 5.000 4.686 4.001 5.109 0.109 4 0 "[ . 1 . 2 ]" 1
90 1 39 LYS HD2 1 50 LYS H . . 5.500 4.900 4.097 5.813 0.313 8 0 "[ . 1 . 2 ]" 1
91 1 39 LYS HA 1 98 ILE HG13 . . 5.700 5.437 4.857 5.783 0.083 19 0 "[ . 1 . 2 ]" 1
92 1 39 LYS HA 1 98 ILE MD . . 5.000 3.090 2.482 3.503 . 0 0 "[ . 1 . 2 ]" 1
93 1 39 LYS HB3 1 98 ILE MD . . 5.100 4.227 3.420 4.852 . 0 0 "[ . 1 . 2 ]" 1
94 1 39 LYS HB3 1 79 LEU MD2 . . 5.000 3.233 1.990 4.531 . 0 0 "[ . 1 . 2 ]" 1
95 1 40 VAL HA 1 41 GLU H . . 3.500 3.534 3.518 3.543 0.043 1 0 "[ . 1 . 2 ]" 1
96 1 40 VAL HA 1 43 ALA H . . 5.000 3.164 2.957 3.360 . 0 0 "[ . 1 . 2 ]" 1
97 1 40 VAL HA 1 43 ALA MB . . 5.000 2.349 2.074 2.652 . 0 0 "[ . 1 . 2 ]" 1
98 1 40 VAL HA 1 44 LEU H . . 5.500 5.097 4.314 5.543 0.043 8 0 "[ . 1 . 2 ]" 1
99 1 40 VAL MG1 1 41 GLU H . . 5.000 3.286 3.157 3.361 . 0 0 "[ . 1 . 2 ]" 1
100 1 40 VAL MG2 1 41 GLU H . . 5.000 3.975 3.921 4.018 . 0 0 "[ . 1 . 2 ]" 1
101 1 40 VAL H 1 41 GLU H . . 2.800 2.708 2.664 2.791 . 0 0 "[ . 1 . 2 ]" 1
102 1 40 VAL MG2 1 43 ALA MB . . 5.000 3.720 3.403 3.984 . 0 0 "[ . 1 . 2 ]" 1
103 1 40 VAL HB 1 43 ALA H . . 5.300 5.270 5.118 5.359 0.059 3 0 "[ . 1 . 2 ]" 1
104 1 40 VAL MG2 1 43 ALA H . . 5.000 4.935 4.764 5.072 0.072 3 0 "[ . 1 . 2 ]" 1
105 1 40 VAL MG1 1 44 LEU MD2 . . 5.000 3.972 3.097 5.162 0.162 5 0 "[ . 1 . 2 ]" 1
106 1 41 GLU HA 1 42 ALA H . . 5.000 3.492 3.463 3.534 . 0 0 "[ . 1 . 2 ]" 1
107 1 41 GLU HA 1 44 LEU H . . 5.000 4.070 3.830 4.473 . 0 0 "[ . 1 . 2 ]" 1
108 1 41 GLU HA 1 44 LEU HB2 . . 5.100 4.590 4.066 5.212 0.112 7 0 "[ . 1 . 2 ]" 1
109 1 41 GLU HA 1 44 LEU MD1 . . 5.000 3.765 2.294 5.082 0.082 4 0 "[ . 1 . 2 ]" 1
110 1 41 GLU HG3 1 42 ALA H . . 5.000 4.015 2.210 5.056 0.056 12 0 "[ . 1 . 2 ]" 1
111 1 41 GLU H 1 42 ALA H . . 5.000 2.698 2.633 2.768 . 0 0 "[ . 1 . 2 ]" 1
112 1 41 GLU HG2 1 42 ALA H . . 5.000 3.967 2.276 5.010 0.010 7 0 "[ . 1 . 2 ]" 1
113 1 41 GLU H 1 98 ILE HB . . 5.700 5.337 4.824 5.671 . 0 0 "[ . 1 . 2 ]" 1
114 1 41 GLU HG2 1 98 ILE HB . . 5.000 4.617 3.438 5.090 0.090 20 0 "[ . 1 . 2 ]" 1
115 1 41 GLU HA 1 44 LEU MD2 . . 5.000 3.693 2.237 4.993 . 0 0 "[ . 1 . 2 ]" 1
116 1 41 GLU HB3 1 98 ILE HA . . 5.100 4.821 3.126 5.165 0.065 15 0 "[ . 1 . 2 ]" 1
117 1 41 GLU HB3 1 98 ILE MG . . 5.000 4.302 2.146 5.018 0.018 22 0 "[ . 1 . 2 ]" 1
118 1 42 ALA HA 1 43 ALA H . . 5.000 3.433 3.405 3.480 . 0 0 "[ . 1 . 2 ]" 1
119 1 42 ALA MB 1 47 THR MG . . 5.000 2.638 2.389 2.826 . 0 0 "[ . 1 . 2 ]" 1
120 1 42 ALA MB 1 97 LEU MD1 . . 5.200 5.066 4.557 5.239 0.039 18 0 "[ . 1 . 2 ]" 1
121 1 42 ALA H 1 43 ALA H . . 5.000 2.365 2.130 2.593 . 0 0 "[ . 1 . 2 ]" 1
122 1 42 ALA HA 1 44 LEU H . . 5.000 3.705 3.489 4.001 . 0 0 "[ . 1 . 2 ]" 1
123 1 42 ALA MB 1 47 THR HB . . 5.400 5.023 4.576 5.166 . 0 0 "[ . 1 . 2 ]" 1
124 1 42 ALA MB 1 49 PHE HD1 . . 5.800 3.723 2.771 5.917 0.117 13 0 "[ . 1 . 2 ]" 1
125 1 43 ALA HA 1 44 LEU H . . 5.000 3.471 3.439 3.528 . 0 0 "[ . 1 . 2 ]" 1
126 1 43 ALA H 1 44 LEU H . . 5.000 2.668 2.629 2.737 . 0 0 "[ . 1 . 2 ]" 1
127 1 43 ALA HA 1 45 SER H . . 5.000 3.688 3.450 4.220 . 0 0 "[ . 1 . 2 ]" 1
128 1 43 ALA MB 1 44 LEU MD2 . . 5.000 3.699 2.655 4.733 . 0 0 "[ . 1 . 2 ]" 1
129 1 44 LEU HA 1 45 SER H . . 5.000 3.433 3.109 3.529 . 0 0 "[ . 1 . 2 ]" 1
130 1 44 LEU HB2 1 45 SER H . . 5.000 3.187 2.631 4.389 . 0 0 "[ . 1 . 2 ]" 1
131 1 44 LEU HB3 1 45 SER H . . 5.000 3.819 3.403 4.189 . 0 0 "[ . 1 . 2 ]" 1
132 1 44 LEU MD1 1 45 SER H . . 5.000 4.623 4.110 4.888 . 0 0 "[ . 1 . 2 ]" 1
133 1 44 LEU H 1 45 SER H . . 5.000 2.662 2.618 2.721 . 0 0 "[ . 1 . 2 ]" 1
134 1 44 LEU H 1 47 THR MG . . 5.300 5.205 4.922 5.348 0.048 5 0 "[ . 1 . 2 ]" 1
135 1 45 SER H 1 47 THR MG . . 5.000 3.733 3.435 4.046 . 0 0 "[ . 1 . 2 ]" 1
136 1 45 SER HB3 1 47 THR H . . 5.000 4.212 2.093 5.073 0.073 15 0 "[ . 1 . 2 ]" 1
137 1 45 SER HG 1 47 THR MG . . 5.000 4.411 2.242 5.060 0.060 8 0 "[ . 1 . 2 ]" 1
138 1 47 THR HA 1 48 HIS H . . 5.000 2.615 2.511 2.738 . 0 0 "[ . 1 . 2 ]" 1
139 1 47 THR HB 1 48 HIS H . . 5.000 3.579 3.484 3.640 . 0 0 "[ . 1 . 2 ]" 1
140 1 47 THR MG 1 48 HIS H . . 5.000 2.888 2.524 3.260 . 0 0 "[ . 1 . 2 ]" 1
141 1 47 THR H 1 48 HIS H . . 5.000 4.414 4.337 4.593 . 0 0 "[ . 1 . 2 ]" 1
142 1 47 THR MG 1 83 SER H . . 5.800 5.453 5.265 5.756 . 0 0 "[ . 1 . 2 ]" 1
143 1 47 THR H 1 83 SER HB3 . . 5.600 5.227 4.325 5.762 0.162 3 0 "[ . 1 . 2 ]" 1
144 1 47 THR MG 1 84 ASP H . . 6.000 5.765 5.422 6.015 0.015 17 0 "[ . 1 . 2 ]" 1
145 1 47 THR HG1 1 48 HIS H . . 5.000 2.695 1.948 2.929 . 0 0 "[ . 1 . 2 ]" 1
146 1 47 THR HG1 1 83 SER H . . 5.000 3.658 3.406 3.832 . 0 0 "[ . 1 . 2 ]" 1
147 1 47 THR HG1 1 84 ASP H . . 5.200 4.996 4.174 5.215 0.015 3 0 "[ . 1 . 2 ]" 1
148 1 47 THR HB 1 84 ASP H . . 5.000 4.813 4.386 5.006 0.006 16 0 "[ . 1 . 2 ]" 1
149 1 47 THR HB 1 82 THR H . . 5.800 5.819 5.672 5.953 0.153 8 0 "[ . 1 . 2 ]" 1
150 1 47 THR HA 1 83 SER HB2 . . 5.000 4.886 3.279 5.037 0.037 20 0 "[ . 1 . 2 ]" 1
151 1 47 THR HA 1 83 SER H . . 5.200 5.228 5.107 5.316 0.116 10 0 "[ . 1 . 2 ]" 1
152 1 47 THR MG 1 94 ARG HD2 . . 6.000 5.361 3.742 6.094 0.094 17 0 "[ . 1 . 2 ]" 1
153 1 47 THR HA 1 83 SER HA . . 5.000 2.529 2.424 2.648 . 0 0 "[ . 1 . 2 ]" 1
154 1 47 THR HA 1 84 ASP H . . 5.000 3.550 3.121 3.803 . 0 0 "[ . 1 . 2 ]" 1
155 1 47 THR HB 1 83 SER H . . 5.100 5.154 5.087 5.213 0.113 5 0 "[ . 1 . 2 ]" 1
156 1 47 THR HB 1 83 SER HB3 . . 5.000 2.238 1.976 3.368 . 0 0 "[ . 1 . 2 ]" 1
157 1 47 THR HB 1 83 SER HG . . 5.000 3.576 3.011 3.937 . 0 0 "[ . 1 . 2 ]" 1
158 1 47 THR MG 1 48 HIS HA . . 5.000 3.634 3.418 3.831 . 0 0 "[ . 1 . 2 ]" 1
159 1 47 THR MG 1 82 THR H . . 5.200 4.532 4.208 4.905 . 0 0 "[ . 1 . 2 ]" 1
160 1 47 THR MG 1 83 SER HA . . 5.000 4.218 3.976 4.459 . 0 0 "[ . 1 . 2 ]" 1
161 1 47 THR MG 1 83 SER HB3 . . 5.000 3.654 3.338 4.076 . 0 0 "[ . 1 . 2 ]" 1
162 1 48 HIS HA 1 49 PHE H . . 5.000 2.190 2.145 2.250 . 0 0 "[ . 1 . 2 ]" 1
163 1 48 HIS HB2 1 49 PHE H . . 5.000 4.181 3.922 4.358 . 0 0 "[ . 1 . 2 ]" 1
164 1 48 HIS H 1 82 THR H . . 3.500 2.958 2.803 3.127 . 0 0 "[ . 1 . 2 ]" 1
165 1 48 HIS HA 1 82 THR H . . 5.000 4.552 4.297 4.738 . 0 0 "[ . 1 . 2 ]" 1
166 1 48 HIS H 1 82 THR HA . . 5.000 4.661 4.543 4.817 . 0 0 "[ . 1 . 2 ]" 1
167 1 48 HIS H 1 81 VAL HB . . 5.200 4.706 3.853 5.284 0.084 8 0 "[ . 1 . 2 ]" 1
168 1 48 HIS H 1 81 VAL HA . . 5.000 4.535 4.469 4.635 . 0 0 "[ . 1 . 2 ]" 1
169 1 48 HIS H 1 82 THR MG . . 5.000 4.421 4.208 4.629 . 0 0 "[ . 1 . 2 ]" 1
170 1 48 HIS H 1 81 VAL MG2 . . 5.000 4.095 3.580 4.987 . 0 0 "[ . 1 . 2 ]" 1
171 1 48 HIS HB2 1 82 THR H . . 5.000 4.409 3.381 4.890 . 0 0 "[ . 1 . 2 ]" 1
172 1 48 HIS HB3 1 82 THR H . . 5.000 2.925 2.461 3.329 . 0 0 "[ . 1 . 2 ]" 1
173 1 48 HIS HB3 1 83 SER H . . 6.000 5.843 5.514 6.037 0.037 22 0 "[ . 1 . 2 ]" 1
174 1 48 HIS HB2 1 82 THR HB . . 5.000 3.792 2.579 4.412 . 0 0 "[ . 1 . 2 ]" 1
175 1 48 HIS H 1 82 THR HB . . 5.000 3.800 3.674 3.966 . 0 0 "[ . 1 . 2 ]" 1
176 1 48 HIS HA 1 82 THR HB . . 5.500 5.307 5.003 5.560 0.060 10 0 "[ . 1 . 2 ]" 1
177 1 48 HIS HB3 1 82 THR HB . . 5.000 2.500 2.097 2.767 . 0 0 "[ . 1 . 2 ]" 1
178 1 48 HIS HB3 1 82 THR MG . . 5.000 3.900 3.610 4.200 . 0 0 "[ . 1 . 2 ]" 1
179 1 48 HIS H 1 83 SER HA . . 5.000 3.343 3.156 3.503 . 0 0 "[ . 1 . 2 ]" 1
180 1 48 HIS H 1 84 ASP H . . 5.000 4.881 4.520 5.082 0.082 21 0 "[ . 1 . 2 ]" 1
181 1 48 HIS HB3 1 81 VAL HA . . 5.000 4.513 3.868 4.932 . 0 0 "[ . 1 . 2 ]" 1
182 1 48 HIS HB3 1 82 THR HA . . 5.200 4.929 4.527 5.229 0.029 11 0 "[ . 1 . 2 ]" 1
183 1 48 HIS H 1 83 SER H . . 5.000 4.648 4.482 4.824 . 0 0 "[ . 1 . 2 ]" 1
184 1 48 HIS H 1 83 SER HB3 . . 5.000 4.482 4.146 4.724 . 0 0 "[ . 1 . 2 ]" 1
185 1 49 PHE HA 1 50 LYS H . . 5.000 2.153 2.138 2.174 . 0 0 "[ . 1 . 2 ]" 1
186 1 49 PHE HB2 1 50 LYS H . . 5.000 3.744 3.172 4.457 . 0 0 "[ . 1 . 2 ]" 1
187 1 49 PHE HB3 1 50 LYS H . . 5.000 3.791 3.224 4.202 . 0 0 "[ . 1 . 2 ]" 1
188 1 49 PHE H 1 81 VAL HA . . 5.000 4.674 4.517 4.816 . 0 0 "[ . 1 . 2 ]" 1
189 1 49 PHE HA 1 81 VAL HA . . 5.000 2.268 2.137 2.429 . 0 0 "[ . 1 . 2 ]" 1
190 1 49 PHE HA 1 81 VAL HB . . 5.000 3.103 2.855 3.429 . 0 0 "[ . 1 . 2 ]" 1
191 1 49 PHE HB2 1 81 VAL HA . . 5.000 4.787 4.541 5.021 0.021 20 0 "[ . 1 . 2 ]" 1
192 1 49 PHE HA 1 82 THR H . . 5.000 3.605 3.468 3.736 . 0 0 "[ . 1 . 2 ]" 1
193 1 49 PHE HA 1 80 GLU H . . 5.000 4.883 4.763 4.997 . 0 0 "[ . 1 . 2 ]" 1
194 1 49 PHE H 1 81 VAL HB . . 5.400 5.259 4.983 5.442 0.042 14 0 "[ . 1 . 2 ]" 1
195 1 49 PHE H 1 50 LYS H . . 5.000 4.313 4.161 4.424 . 0 0 "[ . 1 . 2 ]" 1
196 1 49 PHE H 1 82 THR H . . 5.000 4.766 4.562 4.913 . 0 0 "[ . 1 . 2 ]" 1
197 1 49 PHE HA 1 50 LYS HB3 . . 5.000 4.474 4.195 4.651 . 0 0 "[ . 1 . 2 ]" 1
198 1 49 PHE HB3 1 81 VAL HB . . 5.000 3.764 2.642 4.151 . 0 0 "[ . 1 . 2 ]" 1
199 1 49 PHE HB3 1 81 VAL MG2 . . 5.700 4.976 3.797 5.454 . 0 0 "[ . 1 . 2 ]" 1
200 1 49 PHE HB3 1 98 ILE MD . . 5.000 4.540 3.917 5.077 0.077 14 0 "[ . 1 . 2 ]" 1
201 1 50 LYS HA 1 51 LEU H . . 5.000 2.144 2.140 2.160 . 0 0 "[ . 1 . 2 ]" 1
202 1 50 LYS HB2 1 51 LEU H . . 5.000 4.209 3.273 4.368 . 0 0 "[ . 1 . 2 ]" 1
203 1 50 LYS HG2 1 51 LEU H . . 5.000 3.321 2.648 5.326 0.326 17 0 "[ . 1 . 2 ]" 1
204 1 50 LYS HA 1 80 GLU H . . 5.000 4.851 4.706 5.001 0.001 18 0 "[ . 1 . 2 ]" 1
205 1 50 LYS HG2 1 80 GLU H . . 5.000 4.515 3.446 5.009 0.009 18 0 "[ . 1 . 2 ]" 1
206 1 50 LYS H 1 80 GLU HB2 . . 5.500 4.393 3.539 5.555 0.055 12 0 "[ . 1 . 2 ]" 1
207 1 50 LYS H 1 81 VAL HA . . 5.000 3.222 3.035 3.454 . 0 0 "[ . 1 . 2 ]" 1
208 1 50 LYS HD2 1 80 GLU H . . 5.000 4.655 3.024 5.035 0.035 14 0 "[ . 1 . 2 ]" 1
209 1 50 LYS H 1 51 LEU H . . 5.000 4.220 4.123 4.350 . 0 0 "[ . 1 . 2 ]" 1
210 1 50 LYS HG2 1 80 GLU HB2 . . 5.400 4.987 2.587 5.444 0.044 22 0 "[ . 1 . 2 ]" 1
211 1 50 LYS H 1 80 GLU HA . . 5.100 4.799 4.690 4.881 . 0 0 "[ . 1 . 2 ]" 1
212 1 50 LYS H 1 80 GLU HB3 . . 5.500 4.557 3.294 5.560 0.060 6 0 "[ . 1 . 2 ]" 1
213 1 50 LYS H 1 81 VAL H . . 5.000 4.781 4.631 4.886 . 0 0 "[ . 1 . 2 ]" 1
214 1 50 LYS H 1 81 VAL HB . . 5.000 4.618 4.208 5.010 0.010 13 0 "[ . 1 . 2 ]" 1
215 1 50 LYS H 1 81 VAL MG1 . . 5.000 3.964 3.040 4.653 . 0 0 "[ . 1 . 2 ]" 1
216 1 50 LYS H 1 82 THR H . . 5.200 4.825 4.476 5.090 . 0 0 "[ . 1 . 2 ]" 1
217 1 50 LYS HB3 1 80 GLU H . . 5.000 3.577 3.121 4.982 . 0 0 "[ . 1 . 2 ]" 1
218 1 50 LYS HB3 1 80 GLU HB3 . . 5.000 3.931 2.390 4.935 . 0 0 "[ . 1 . 2 ]" 1
219 1 50 LYS HD3 1 52 ILE MG . . 5.000 3.348 2.402 4.194 . 0 0 "[ . 1 . 2 ]" 1
220 1 50 LYS HD3 1 79 LEU HA . . 5.800 5.146 4.421 5.873 0.073 20 0 "[ . 1 . 2 ]" 1
221 1 50 LYS HD3 1 80 GLU HB3 . . 5.800 4.848 3.208 5.917 0.117 14 0 "[ . 1 . 2 ]" 1
222 1 50 LYS HD3 1 80 GLU HG3 . . 5.200 4.478 3.068 5.313 0.113 14 0 "[ . 1 . 2 ]" 1
223 1 51 LEU HA 1 52 ILE H . . 5.000 2.144 2.139 2.168 . 0 0 "[ . 1 . 2 ]" 1
224 1 51 LEU HB2 1 52 ILE H . . 5.000 4.259 4.063 4.415 . 0 0 "[ . 1 . 2 ]" 1
225 1 51 LEU H 1 52 ILE H . . 5.000 4.264 4.173 4.399 . 0 0 "[ . 1 . 2 ]" 1
226 1 51 LEU MD1 1 52 ILE H . . 5.000 4.178 3.448 4.485 . 0 0 "[ . 1 . 2 ]" 1
227 1 51 LEU MD2 1 52 ILE H . . 5.000 3.761 3.192 4.201 . 0 0 "[ . 1 . 2 ]" 1
228 1 51 LEU HA 1 80 GLU H . . 5.000 3.636 3.248 3.869 . 0 0 "[ . 1 . 2 ]" 1
229 1 51 LEU HA 1 79 LEU HA . . 5.000 2.585 2.380 2.740 . 0 0 "[ . 1 . 2 ]" 1
230 1 51 LEU HA 1 79 LEU HG . . 5.200 4.378 3.536 5.212 0.012 1 0 "[ . 1 . 2 ]" 1
231 1 51 LEU HB2 1 79 LEU H . . 6.600 6.283 5.740 6.654 0.054 12 0 "[ . 1 . 2 ]" 1
232 1 51 LEU MD2 1 78 ARG H . . 5.200 5.021 3.703 5.291 0.091 6 0 "[ . 1 . 2 ]" 1
233 1 51 LEU HA 1 79 LEU HB2 . . 5.000 4.274 3.633 4.938 . 0 0 "[ . 1 . 2 ]" 1
234 1 51 LEU MD1 1 100 GLY H . . 5.500 5.516 5.320 5.715 0.215 8 0 "[ . 1 . 2 ]" 1
235 1 51 LEU H 1 52 ILE MG . . 5.000 4.079 3.665 4.834 . 0 0 "[ . 1 . 2 ]" 1
236 1 51 LEU H 1 79 LEU MD2 . . 5.000 4.035 3.502 4.953 . 0 0 "[ . 1 . 2 ]" 1
237 1 51 LEU HA 1 52 ILE HA . . 5.000 4.395 4.391 4.401 . 0 0 "[ . 1 . 2 ]" 1
238 1 51 LEU HA 1 52 ILE MG . . 5.000 3.810 3.487 4.075 . 0 0 "[ . 1 . 2 ]" 1
239 1 51 LEU HA 1 79 LEU H . . 5.100 5.033 4.859 5.194 0.094 17 0 "[ . 1 . 2 ]" 1
240 1 51 LEU HA 1 79 LEU MD1 . . 5.100 4.956 4.581 5.179 0.079 18 0 "[ . 1 . 2 ]" 1
241 1 51 LEU HB3 1 79 LEU MD1 . . 5.900 5.618 5.038 6.025 0.125 22 0 "[ . 1 . 2 ]" 1
242 1 51 LEU HG 1 52 ILE H . . 5.000 2.830 2.530 3.048 . 0 0 "[ . 1 . 2 ]" 1
243 1 51 LEU HG 1 78 ARG H . . 5.000 4.121 3.463 4.360 . 0 0 "[ . 1 . 2 ]" 1
244 1 51 LEU HG 1 79 LEU MD1 . . 5.600 5.252 4.164 5.679 0.079 10 0 "[ . 1 . 2 ]" 1
245 1 51 LEU MD1 1 101 LEU HA . . 5.000 4.246 3.442 4.872 . 0 0 "[ . 1 . 2 ]" 1
246 1 51 LEU MD1 1 101 LEU MD1 . . 5.100 4.289 2.746 5.130 0.030 19 0 "[ . 1 . 2 ]" 1
247 1 51 LEU MD1 1 98 ILE MD . . 5.000 4.409 3.909 5.007 0.007 8 0 "[ . 1 . 2 ]" 1
248 1 52 ILE HA 1 53 ASN H . . 5.000 2.142 2.140 2.148 . 0 0 "[ . 1 . 2 ]" 1
249 1 52 ILE H 1 79 LEU HA . . 5.000 3.898 3.642 4.114 . 0 0 "[ . 1 . 2 ]" 1
250 1 52 ILE H 1 78 ARG H . . 3.500 3.002 2.935 3.080 . 0 0 "[ . 1 . 2 ]" 1
251 1 52 ILE HA 1 78 ARG H . . 5.000 5.007 4.898 5.059 0.059 1 0 "[ . 1 . 2 ]" 1
252 1 52 ILE HB 1 78 ARG H . . 5.400 5.010 4.630 5.468 0.068 6 0 "[ . 1 . 2 ]" 1
253 1 52 ILE H 1 78 ARG HB2 . . 5.500 5.463 5.132 5.667 0.167 19 0 "[ . 1 . 2 ]" 1
254 1 52 ILE H 1 78 ARG HG2 . . 5.000 3.119 2.433 4.108 . 0 0 "[ . 1 . 2 ]" 1
255 1 52 ILE HB 1 53 ASN H . . 5.000 3.690 3.469 4.253 . 0 0 "[ . 1 . 2 ]" 1
256 1 52 ILE MG 1 53 ASN H . . 5.000 4.030 3.930 4.217 . 0 0 "[ . 1 . 2 ]" 1
257 1 52 ILE H 1 77 PHE HA . . 5.000 4.547 4.407 4.698 . 0 0 "[ . 1 . 2 ]" 1
258 1 52 ILE MG 1 78 ARG HD2 . . 5.000 4.255 2.355 5.026 0.026 10 0 "[ . 1 . 2 ]" 1
259 1 52 ILE HB 1 78 ARG HG2 . . 5.000 4.703 4.380 5.074 0.074 21 0 "[ . 1 . 2 ]" 1
260 1 52 ILE HA 1 78 ARG HG2 . . 5.700 5.421 4.967 5.897 0.197 17 0 "[ . 1 . 2 ]" 1
261 1 52 ILE MD 1 78 ARG H . . 5.000 3.232 2.660 3.734 . 0 0 "[ . 1 . 2 ]" 1
262 1 52 ILE MD 1 77 PHE H . . 5.000 4.916 4.448 5.162 0.162 6 0 "[ . 1 . 2 ]" 1
263 1 52 ILE H 1 53 ASN H . . 5.000 4.183 4.137 4.211 . 0 0 "[ . 1 . 2 ]" 1
264 1 52 ILE H 1 78 ARG HB3 . . 5.000 4.749 3.966 5.134 0.134 17 0 "[ . 1 . 2 ]" 1
265 1 52 ILE MG 1 78 ARG H . . 5.100 4.498 2.516 5.144 0.044 13 0 "[ . 1 . 2 ]" 1
266 1 52 ILE MD 1 77 PHE HA . . 5.000 3.369 3.014 3.693 . 0 0 "[ . 1 . 2 ]" 1
267 1 52 ILE MG 1 78 ARG HG3 . . 5.200 4.509 2.971 5.250 0.050 10 0 "[ . 1 . 2 ]" 1
268 1 53 ASN HA 1 54 ASP H . . 5.000 2.147 2.141 2.184 . 0 0 "[ . 1 . 2 ]" 1
269 1 53 ASN HB3 1 54 ASP H . . 5.000 4.406 4.011 4.499 . 0 0 "[ . 1 . 2 ]" 1
270 1 53 ASN HB2 1 78 ARG H . . 5.900 5.191 4.670 5.968 0.068 8 0 "[ . 1 . 2 ]" 1
271 1 53 ASN HB2 1 77 PHE H . . 6.300 6.221 5.701 6.394 0.094 16 0 "[ . 1 . 2 ]" 1
272 1 53 ASN HA 1 78 ARG H . . 5.000 3.847 3.568 4.016 . 0 0 "[ . 1 . 2 ]" 1
273 1 53 ASN H 1 77 PHE HA . . 5.000 4.817 4.505 4.984 . 0 0 "[ . 1 . 2 ]" 1
274 1 53 ASN HA 1 77 PHE HA . . 5.000 2.416 1.990 2.640 . 0 0 "[ . 1 . 2 ]" 1
275 1 53 ASN HB2 1 77 PHE HA . . 5.000 4.138 3.660 4.564 . 0 0 "[ . 1 . 2 ]" 1
276 1 53 ASN HA 1 77 PHE HB2 . . 5.000 3.329 1.965 4.974 . 0 0 "[ . 1 . 2 ]" 1
277 1 53 ASN HA 1 76 HIS H . . 6.200 6.145 5.732 6.344 0.144 16 0 "[ . 1 . 2 ]" 1
278 1 53 ASN HB2 1 105 GLU H . . 5.800 5.541 4.800 5.928 0.128 20 0 "[ . 1 . 2 ]" 1
279 1 53 ASN HA 1 77 PHE H . . 5.000 4.762 4.217 5.012 0.012 16 0 "[ . 1 . 2 ]" 1
280 1 53 ASN HA 1 76 HIS HA . . 5.700 5.567 5.016 5.774 0.074 11 0 "[ . 1 . 2 ]" 1
281 1 53 ASN H 1 54 ASP H . . 5.000 4.348 4.065 4.411 . 0 0 "[ . 1 . 2 ]" 1
282 1 53 ASN HA 1 76 HIS HB3 . . 6.200 4.855 4.139 6.338 0.138 5 0 "[ . 1 . 2 ]" 1
283 1 53 ASN HA 1 77 PHE HB3 . . 5.000 4.253 3.475 5.016 0.016 12 0 "[ . 1 . 2 ]" 1
284 1 53 ASN HB3 1 104 ASP HB3 . . 5.000 4.643 2.966 5.275 0.275 15 0 "[ . 1 . 2 ]" 1
285 1 53 ASN H 1 78 ARG H . . 5.200 5.177 4.932 5.264 0.064 19 0 "[ . 1 . 2 ]" 1
286 1 54 ASP HA 1 55 SER H . . 5.000 3.367 2.715 3.570 . 0 0 "[ . 1 . 2 ]" 1
287 1 54 ASP HB2 1 55 SER H . . 5.000 3.466 2.656 4.534 . 0 0 "[ . 1 . 2 ]" 1
288 1 54 ASP HB3 1 55 SER H . . 5.000 3.184 2.096 4.324 . 0 0 "[ . 1 . 2 ]" 1
289 1 54 ASP H 1 55 SER H . . 5.000 2.404 2.033 2.900 . 0 0 "[ . 1 . 2 ]" 1
290 1 54 ASP H 1 77 PHE HA . . 5.000 3.295 2.873 3.556 . 0 0 "[ . 1 . 2 ]" 1
291 1 54 ASP H 1 108 ALA MB . . 5.600 5.286 4.678 5.860 0.260 11 0 "[ . 1 . 2 ]" 1
292 1 54 ASP HB2 1 108 ALA MB . . 6.300 5.978 5.485 6.428 0.128 14 0 "[ . 1 . 2 ]" 1
293 1 54 ASP HB2 1 76 HIS HD1 . . 5.200 3.940 2.456 5.243 0.043 19 0 "[ . 1 . 2 ]" 1
294 1 54 ASP HB3 1 76 HIS HB3 . . 5.000 2.673 1.965 3.868 . 0 0 "[ . 1 . 2 ]" 1
295 1 54 ASP H 1 76 HIS HA . . 5.000 4.193 3.514 4.658 . 0 0 "[ . 1 . 2 ]" 1
296 1 54 ASP H 1 76 HIS HB3 . . 5.000 3.050 2.391 4.869 . 0 0 "[ . 1 . 2 ]" 1
297 1 54 ASP H 1 76 HIS HD2 . . 5.500 5.182 1.877 5.619 0.119 22 0 "[ . 1 . 2 ]" 1
298 1 54 ASP HB3 1 77 PHE H . . 6.100 5.908 5.051 6.209 0.109 14 0 "[ . 1 . 2 ]" 1
299 1 54 ASP H 1 77 PHE H . . 5.000 4.462 4.007 4.726 . 0 0 "[ . 1 . 2 ]" 1
300 1 55 SER H 1 77 PHE HA . . 5.800 5.070 4.544 5.994 0.194 18 0 "[ . 1 . 2 ]" 1
301 1 55 SER HA 1 56 HIS H . . 5.000 2.523 2.167 2.737 . 0 0 "[ . 1 . 2 ]" 1
302 1 55 SER HB2 1 56 HIS H . . 5.000 3.694 3.371 4.396 . 0 0 "[ . 1 . 2 ]" 1
303 1 55 SER HB3 1 56 HIS H . . 5.000 3.082 2.123 4.094 . 0 0 "[ . 1 . 2 ]" 1
304 1 55 SER HB2 1 107 LYS HG2 . . 5.300 5.063 3.218 5.378 0.078 16 0 "[ . 1 . 2 ]" 1
305 1 55 SER HG 1 108 ALA MB . . 5.000 3.373 2.438 4.312 . 0 0 "[ . 1 . 2 ]" 1
306 1 55 SER H 1 56 HIS H . . 5.000 4.555 4.030 4.648 . 0 0 "[ . 1 . 2 ]" 1
307 1 55 SER H 1 105 GLU HA . . 6.000 5.230 4.226 5.975 . 0 0 "[ . 1 . 2 ]" 1
308 1 55 SER HA 1 105 GLU HA . . 5.300 4.627 3.380 5.345 0.045 10 0 "[ . 1 . 2 ]" 1
309 1 55 SER HA 1 107 LYS HB3 . . 5.700 5.463 4.771 5.847 0.147 18 0 "[ . 1 . 2 ]" 1
310 1 55 SER HA 1 108 ALA HA . . 5.100 4.016 2.703 5.123 0.023 11 0 "[ . 1 . 2 ]" 1
311 1 55 SER HA 1 108 ALA MB . . 5.000 2.093 1.871 2.539 . 0 0 "[ . 1 . 2 ]" 1
312 1 55 SER HB3 1 56 HIS HA . . 5.200 4.476 3.758 5.238 0.038 18 0 "[ . 1 . 2 ]" 1
313 1 55 SER HA 1 56 HIS HB3 . . 5.000 4.657 4.178 5.002 0.002 13 0 "[ . 1 . 2 ]" 1
314 1 55 SER HB3 1 107 LYS HB3 . . 5.800 5.664 4.669 5.922 0.122 16 0 "[ . 1 . 2 ]" 1
315 1 55 SER HG 1 56 HIS HA . . 5.000 4.959 4.698 5.027 0.027 13 0 "[ . 1 . 2 ]" 1
316 1 55 SER HG 1 107 LYS HD2 . . 5.000 5.020 5.003 5.074 0.074 7 0 "[ . 1 . 2 ]" 1
317 1 56 HIS HA 1 57 LYS H . . 5.000 2.311 2.139 3.496 . 0 0 "[ . 1 . 2 ]" 1
318 1 56 HIS HB2 1 57 LYS H . . 5.000 4.085 2.265 4.650 . 0 0 "[ . 1 . 2 ]" 1
319 1 56 HIS H 1 57 LYS H . . 5.000 4.027 2.219 4.524 . 0 0 "[ . 1 . 2 ]" 1
320 1 56 HIS H 1 57 LYS HA . . 5.000 4.719 4.222 5.215 0.215 18 0 "[ . 1 . 2 ]" 1
321 1 56 HIS H 1 108 ALA HA . . 5.000 3.184 1.949 3.946 . 0 0 "[ . 1 . 2 ]" 1
322 1 56 HIS H 1 108 ALA MB . . 5.000 2.609 1.896 3.611 . 0 0 "[ . 1 . 2 ]" 1
323 1 56 HIS HA 1 57 LYS HG3 . . 5.000 4.338 3.442 5.043 0.043 19 0 "[ . 1 . 2 ]" 1
324 1 56 HIS HA 1 108 ALA MB . . 5.300 4.457 3.681 4.968 . 0 0 "[ . 1 . 2 ]" 1
325 1 56 HIS HB3 1 57 LYS H . . 5.000 4.004 2.845 4.516 . 0 0 "[ . 1 . 2 ]" 1
326 1 56 HIS HB3 1 108 ALA HA . . 5.000 3.881 2.378 5.064 0.064 18 0 "[ . 1 . 2 ]" 1
327 1 57 LYS HA 1 58 HIS H . . 5.000 3.047 2.279 3.572 . 0 0 "[ . 1 . 2 ]" 1
328 1 57 LYS HG2 1 58 HIS H . . 5.000 4.252 3.054 4.984 . 0 0 "[ . 1 . 2 ]" 1
329 1 57 LYS HG3 1 58 HIS H . . 5.000 4.399 2.390 4.904 . 0 0 "[ . 1 . 2 ]" 1
330 1 57 LYS H 1 58 HIS H . . 5.000 3.557 1.821 4.646 . 0 0 "[ . 1 . 2 ]" 1
331 1 57 LYS HD2 1 58 HIS H . . 5.000 4.326 3.719 4.999 . 0 0 "[ . 1 . 2 ]" 1
332 1 57 LYS HB2 1 58 HIS H . . 5.000 2.882 1.951 4.249 . 0 0 "[ . 1 . 2 ]" 1
333 1 57 LYS HB3 1 58 HIS H . . 5.000 2.652 1.978 3.492 . 0 0 "[ . 1 . 2 ]" 1
334 1 57 LYS HB3 1 58 HIS HA . . 5.000 4.625 4.205 5.415 0.415 19 0 "[ . 1 . 2 ]" 1
335 1 58 HIS HA 1 59 ALA H . . 5.000 2.305 2.142 2.497 . 0 0 "[ . 1 . 2 ]" 1
336 1 58 HIS HB2 1 59 ALA H . . 5.000 3.955 2.406 4.513 . 0 0 "[ . 1 . 2 ]" 1
337 1 58 HIS H 1 59 ALA H . . 5.000 4.425 4.080 4.534 . 0 0 "[ . 1 . 2 ]" 1
338 1 58 HIS HA 1 59 ALA MB . . 5.000 3.988 3.706 4.255 . 0 0 "[ . 1 . 2 ]" 1
339 1 58 HIS HB3 1 59 ALA MB . . 5.000 4.250 2.953 4.950 . 0 0 "[ . 1 . 2 ]" 1
340 1 59 ALA HA 1 60 GLY H . . 5.000 2.936 2.158 3.576 . 0 0 "[ . 1 . 2 ]" 1
341 1 59 ALA MB 1 60 GLY H . . 5.000 2.330 1.920 3.699 . 0 0 "[ . 1 . 2 ]" 1
342 1 59 ALA MB 1 62 TYR H . . 5.000 4.446 2.496 5.139 0.139 8 0 "[ . 1 . 2 ]" 1
343 1 59 ALA H 1 60 GLY H . . 5.000 3.766 2.028 4.602 . 0 0 "[ . 1 . 2 ]" 1
344 1 59 ALA MB 1 60 GLY HA2 . . 5.000 4.031 3.560 4.537 . 0 0 "[ . 1 . 2 ]" 1
345 1 60 GLY HA2 1 61 HIS H . . 5.000 3.056 2.297 3.551 . 0 0 "[ . 1 . 2 ]" 1
346 1 60 GLY HA3 1 61 HIS H . . 5.000 2.791 2.140 3.568 . 0 0 "[ . 1 . 2 ]" 1
347 1 60 GLY HA3 1 62 TYR H . . 5.000 4.203 3.211 4.946 . 0 0 "[ . 1 . 2 ]" 1
348 1 60 GLY H 1 61 HIS HA . . 5.000 4.754 4.185 5.122 0.122 8 0 "[ . 1 . 2 ]" 1
349 1 60 GLY HA2 1 61 HIS HB3 . . 5.100 4.829 4.408 5.218 0.118 17 0 "[ . 1 . 2 ]" 1
350 1 61 HIS HA 1 62 TYR H . . 5.000 2.954 2.492 3.565 . 0 0 "[ . 1 . 2 ]" 1
351 1 61 HIS HB2 1 62 TYR H . . 5.000 4.350 3.359 4.655 . 0 0 "[ . 1 . 2 ]" 1
352 1 61 HIS HB3 1 62 TYR H . . 5.000 4.156 1.932 4.658 . 0 0 "[ . 1 . 2 ]" 1
353 1 61 HIS H 1 62 TYR H . . 5.000 2.489 1.879 3.802 . 0 0 "[ . 1 . 2 ]" 1
354 1 61 HIS H 1 62 TYR HA . . 5.200 4.608 4.024 5.183 . 0 0 "[ . 1 . 2 ]" 1
355 1 61 HIS HA 1 62 TYR HA . . 5.000 4.639 4.343 5.159 0.159 17 0 "[ . 1 . 2 ]" 1
356 1 62 TYR HA 1 63 ALA H . . 5.000 2.565 2.142 3.565 . 0 0 "[ . 1 . 2 ]" 1
357 1 62 TYR HB2 1 63 ALA H . . 5.000 4.109 2.305 4.657 . 0 0 "[ . 1 . 2 ]" 1
358 1 62 TYR HB3 1 63 ALA H . . 5.000 3.409 1.928 4.401 . 0 0 "[ . 1 . 2 ]" 1
359 1 62 TYR H 1 63 ALA MB . . 5.000 4.400 3.174 5.005 0.005 9 0 "[ . 1 . 2 ]" 1
360 1 62 TYR H 1 63 ALA H . . 5.000 3.781 2.365 4.625 . 0 0 "[ . 1 . 2 ]" 1
361 1 62 TYR HA 1 63 ALA MB . . 5.000 4.133 3.753 4.421 . 0 0 "[ . 1 . 2 ]" 1
362 1 62 TYR HB3 1 63 ALA HA . . 5.200 4.495 3.943 5.308 0.108 10 0 "[ . 1 . 2 ]" 1
363 1 63 ALA HA 1 64 ARG H . . 5.000 2.661 2.151 3.572 . 0 0 "[ . 1 . 2 ]" 1
364 1 63 ALA MB 1 64 ARG H . . 5.000 2.755 2.025 3.676 . 0 0 "[ . 1 . 2 ]" 1
365 1 63 ALA MB 1 65 ASP H . . 5.200 4.090 2.245 5.210 0.010 9 0 "[ . 1 . 2 ]" 1
366 1 63 ALA H 1 64 ARG H . . 5.000 3.833 1.900 4.631 . 0 0 "[ . 1 . 2 ]" 1
367 1 63 ALA MB 1 64 ARG HA . . 5.000 4.167 3.684 5.014 0.014 14 0 "[ . 1 . 2 ]" 1
368 1 63 ALA HA 1 64 ARG HB3 . . 5.200 4.892 4.575 5.235 0.035 14 0 "[ . 1 . 2 ]" 1
369 1 64 ARG HA 1 65 ASP H . . 5.000 2.893 2.147 3.569 . 0 0 "[ . 1 . 2 ]" 1
370 1 64 ARG HB2 1 65 ASP H . . 5.000 4.012 2.885 4.658 . 0 0 "[ . 1 . 2 ]" 1
371 1 64 ARG HG2 1 65 ASP H . . 5.000 4.138 2.728 5.004 0.004 20 0 "[ . 1 . 2 ]" 1
372 1 64 ARG HB3 1 65 ASP H . . 5.000 3.258 1.927 4.442 . 0 0 "[ . 1 . 2 ]" 1
373 1 64 ARG HA 1 66 GLY H . . 5.200 4.415 3.451 5.243 0.043 19 0 "[ . 1 . 2 ]" 1
374 1 64 ARG H 1 65 ASP H . . 5.000 3.389 2.342 4.381 . 0 0 "[ . 1 . 2 ]" 1
375 1 64 ARG HB3 1 65 ASP HB3 . . 5.200 4.777 3.356 5.209 0.009 20 0 "[ . 1 . 2 ]" 1
376 1 64 ARG HA 1 65 ASP HB3 . . 5.200 4.736 4.188 5.208 0.008 21 0 "[ . 1 . 2 ]" 1
377 1 64 ARG HD2 1 65 ASP H . . 5.000 4.516 2.434 5.003 0.003 21 0 "[ . 1 . 2 ]" 1
378 1 65 ASP HA 1 66 GLY H . . 5.000 3.011 2.311 3.547 . 0 0 "[ . 1 . 2 ]" 1
379 1 65 ASP HB2 1 66 GLY H . . 5.000 4.317 3.523 4.654 . 0 0 "[ . 1 . 2 ]" 1
380 1 65 ASP HB3 1 66 GLY H . . 5.000 4.082 2.806 4.665 . 0 0 "[ . 1 . 2 ]" 1
381 1 65 ASP H 1 66 GLY H . . 5.000 2.293 1.874 3.202 . 0 0 "[ . 1 . 2 ]" 1
382 1 65 ASP H 1 66 GLY HA2 . . 5.100 4.440 3.899 5.164 0.064 7 0 "[ . 1 . 2 ]" 1
383 1 65 ASP H 1 67 SER HB3 . . 5.000 4.869 3.563 5.005 0.005 4 0 "[ . 1 . 2 ]" 1
384 1 65 ASP HA 1 66 GLY HA3 . . 5.000 4.574 4.307 5.007 0.007 14 0 "[ . 1 . 2 ]" 1
385 1 66 GLY HA2 1 67 SER H . . 5.000 2.522 2.138 3.564 . 0 0 "[ . 1 . 2 ]" 1
386 1 66 GLY HA3 1 67 SER H . . 5.000 3.277 2.336 3.568 . 0 0 "[ . 1 . 2 ]" 1
387 1 66 GLY H 1 67 SER H . . 5.000 3.394 2.499 4.292 . 0 0 "[ . 1 . 2 ]" 1
388 1 66 GLY HA2 1 67 SER HB3 . . 5.000 4.623 4.040 4.988 . 0 0 "[ . 1 . 2 ]" 1
389 1 67 SER HA 1 68 THR H . . 5.000 2.386 2.141 3.512 . 0 0 "[ . 1 . 2 ]" 1
390 1 67 SER HB2 1 68 THR H . . 5.000 3.624 2.134 4.637 . 0 0 "[ . 1 . 2 ]" 1
391 1 67 SER HB3 1 68 THR H . . 5.000 4.185 3.643 4.557 . 0 0 "[ . 1 . 2 ]" 1
392 1 67 SER HB2 1 69 ALA H . . 5.000 4.153 2.940 5.012 0.012 22 0 "[ . 1 . 2 ]" 1
393 1 67 SER HB3 1 69 ALA H . . 5.200 4.892 4.288 5.205 0.005 10 0 "[ . 1 . 2 ]" 1
394 1 67 SER H 1 68 THR H . . 5.000 4.022 2.613 4.510 . 0 0 "[ . 1 . 2 ]" 1
395 1 67 SER H 1 68 THR HA . . 5.000 4.877 4.572 5.052 0.052 4 0 "[ . 1 . 2 ]" 1
396 1 67 SER HA 1 68 THR MG . . 5.400 4.103 3.480 5.713 0.313 17 0 "[ . 1 . 2 ]" 1
397 1 67 SER HA 1 69 ALA H . . 5.200 3.958 3.256 5.238 0.038 17 0 "[ . 1 . 2 ]" 1
398 1 67 SER HG 1 68 THR H . . 5.000 3.816 1.956 4.833 . 0 0 "[ . 1 . 2 ]" 1
399 1 67 SER HG 1 69 ALA MB . . 5.000 3.834 2.705 4.980 . 0 0 "[ . 1 . 2 ]" 1
400 1 68 THR HA 1 69 ALA H . . 5.000 3.358 2.552 3.567 . 0 0 "[ . 1 . 2 ]" 1
401 1 68 THR HB 1 69 ALA H . . 5.000 3.912 1.933 4.643 . 0 0 "[ . 1 . 2 ]" 1
402 1 68 THR MG 1 69 ALA H . . 5.000 2.677 2.024 3.928 . 0 0 "[ . 1 . 2 ]" 1
403 1 68 THR MG 1 70 SER H . . 5.000 4.717 3.219 5.019 0.019 10 0 "[ . 1 . 2 ]" 1
404 1 68 THR H 1 69 ALA MB . . 5.000 4.335 3.658 4.660 . 0 0 "[ . 1 . 2 ]" 1
405 1 68 THR H 1 69 ALA H . . 5.000 2.413 1.903 3.790 . 0 0 "[ . 1 . 2 ]" 1
406 1 68 THR HA 1 69 ALA MB . . 5.000 4.078 3.662 4.569 . 0 0 "[ . 1 . 2 ]" 1
407 1 68 THR MG 1 69 ALA MB . . 5.000 3.773 2.273 4.531 . 0 0 "[ . 1 . 2 ]" 1
408 1 69 ALA MB 1 70 SER H . . 5.000 2.683 2.008 3.549 . 0 0 "[ . 1 . 2 ]" 1
409 1 69 ALA H 1 70 SER H . . 5.000 4.215 3.468 4.619 . 0 0 "[ . 1 . 2 ]" 1
410 1 69 ALA HA 1 70 SER HB3 . . 5.000 4.413 3.847 4.965 . 0 0 "[ . 1 . 2 ]" 1
411 1 70 SER HA 1 71 ASP H . . 5.000 3.330 2.359 3.569 . 0 0 "[ . 1 . 2 ]" 1
412 1 70 SER HB2 1 71 ASP H . . 5.000 3.919 3.361 4.638 . 0 0 "[ . 1 . 2 ]" 1
413 1 70 SER H 1 71 ASP HB2 . . 5.000 4.469 3.470 4.841 . 0 0 "[ . 1 . 2 ]" 1
414 1 70 SER H 1 71 ASP H . . 5.000 2.455 1.895 4.305 . 0 0 "[ . 1 . 2 ]" 1
415 1 70 SER H 1 71 ASP HB3 . . 5.200 5.110 4.924 5.201 0.001 4 0 "[ . 1 . 2 ]" 1
416 1 70 SER HB3 1 71 ASP HA . . 5.000 4.598 4.030 5.008 0.008 9 0 "[ . 1 . 2 ]" 1
417 1 70 SER HG 1 72 ALA H . . 5.400 4.487 2.033 5.454 0.054 9 0 "[ . 1 . 2 ]" 1
418 1 70 SER HG 1 72 ALA MB . . 5.000 3.581 2.317 4.513 . 0 0 "[ . 1 . 2 ]" 1
419 1 71 ASP HA 1 72 ALA H . . 5.000 2.529 2.140 2.729 . 0 0 "[ . 1 . 2 ]" 1
420 1 71 ASP HB3 1 72 ALA H . . 5.000 3.488 2.076 4.530 . 0 0 "[ . 1 . 2 ]" 1
421 1 71 ASP H 1 72 ALA H . . 5.000 3.821 2.752 4.628 . 0 0 "[ . 1 . 2 ]" 1
422 1 71 ASP H 1 72 ALA MB . . 5.000 4.580 4.221 5.004 0.004 14 0 "[ . 1 . 2 ]" 1
423 1 71 ASP HB2 1 111 HIS H . . 5.000 4.693 3.627 5.019 0.019 21 0 "[ . 1 . 2 ]" 1
424 1 71 ASP HA 1 74 GLU HB3 . . 5.000 3.583 2.450 5.000 0.000 6 0 "[ . 1 . 2 ]" 1
425 1 71 ASP HA 1 110 LEU HA . . 5.000 4.688 3.762 5.013 0.013 16 0 "[ . 1 . 2 ]" 1
426 1 71 ASP HB3 1 72 ALA HA . . 5.200 4.733 4.078 5.213 0.013 21 0 "[ . 1 . 2 ]" 1
427 1 71 ASP HB3 1 74 GLU H . . 5.200 4.928 3.877 5.217 0.017 17 0 "[ . 1 . 2 ]" 1
428 1 71 ASP HB3 1 110 LEU MD1 . . 5.000 2.975 1.915 5.012 0.012 22 0 "[ . 1 . 2 ]" 1
429 1 72 ALA HA 1 73 GLY H . . 5.000 2.911 2.146 3.559 . 0 0 "[ . 1 . 2 ]" 1
430 1 72 ALA MB 1 73 GLY H . . 5.000 3.231 2.428 3.697 . 0 0 "[ . 1 . 2 ]" 1
431 1 72 ALA MB 1 74 GLU H . . 5.000 4.646 4.332 5.013 0.013 17 0 "[ . 1 . 2 ]" 1
432 1 72 ALA H 1 74 GLU H . . 5.000 3.711 3.145 4.666 . 0 0 "[ . 1 . 2 ]" 1
433 1 72 ALA H 1 74 GLU HB3 . . 5.000 4.684 4.171 5.020 0.020 9 0 "[ . 1 . 2 ]" 1
434 1 72 ALA MB 1 73 GLY HA2 . . 5.000 4.363 3.951 4.649 . 0 0 "[ . 1 . 2 ]" 1
435 1 73 GLY HA2 1 74 GLU H . . 5.000 3.181 2.691 3.496 . 0 0 "[ . 1 . 2 ]" 1
436 1 73 GLY H 1 75 THR MG . . 5.000 3.910 2.850 4.992 . 0 0 "[ . 1 . 2 ]" 1
437 1 73 GLY H 1 74 GLU H . . 5.000 2.294 1.893 2.841 . 0 0 "[ . 1 . 2 ]" 1
438 1 73 GLY H 1 75 THR H . . 5.000 4.076 2.916 5.025 0.025 17 0 "[ . 1 . 2 ]" 1
439 1 73 GLY HA2 1 75 THR H . . 5.200 4.872 3.721 5.242 0.042 17 0 "[ . 1 . 2 ]" 1
440 1 73 GLY HA2 1 75 THR MG . . 5.000 3.489 3.100 4.235 . 0 0 "[ . 1 . 2 ]" 1
441 1 73 GLY HA3 1 74 GLU H . . 5.000 3.259 2.949 3.564 . 0 0 "[ . 1 . 2 ]" 1
442 1 73 GLY HA2 1 74 GLU HA . . 5.000 4.587 4.379 4.779 . 0 0 "[ . 1 . 2 ]" 1
443 1 74 GLU HA 1 75 THR H . . 5.000 3.519 2.633 3.569 . 0 0 "[ . 1 . 2 ]" 1
444 1 74 GLU HB2 1 75 THR H . . 5.000 3.750 3.397 4.644 . 0 0 "[ . 1 . 2 ]" 1
445 1 74 GLU HB3 1 75 THR H . . 5.000 2.364 1.943 4.339 . 0 0 "[ . 1 . 2 ]" 1
446 1 74 GLU H 1 75 THR H . . 5.000 2.525 2.048 3.383 . 0 0 "[ . 1 . 2 ]" 1
447 1 74 GLU H 1 75 THR MG . . 5.000 3.273 2.625 4.224 . 0 0 "[ . 1 . 2 ]" 1
448 1 74 GLU HA 1 75 THR MG . . 5.000 3.709 3.456 4.294 . 0 0 "[ . 1 . 2 ]" 1
449 1 74 GLU HB3 1 110 LEU HB3 . . 5.000 4.007 3.171 5.112 0.112 11 0 "[ . 1 . 2 ]" 1
450 1 74 GLU HB3 1 75 THR HA . . 5.000 4.356 4.023 4.963 . 0 0 "[ . 1 . 2 ]" 1
451 1 74 GLU HG3 1 75 THR HG1 . . 5.000 4.795 4.330 5.082 0.082 11 0 "[ . 1 . 2 ]" 1
452 1 75 THR HA 1 76 HIS H . . 5.000 2.350 2.145 2.727 . 0 0 "[ . 1 . 2 ]" 1
453 1 75 THR MG 1 76 HIS H . . 5.000 4.056 3.675 4.293 . 0 0 "[ . 1 . 2 ]" 1
454 1 75 THR HG1 1 76 HIS H . . 5.000 3.791 2.289 4.693 . 0 0 "[ . 1 . 2 ]" 1
455 1 75 THR HG1 1 77 PHE H . . 5.200 4.634 3.553 5.245 0.045 1 0 "[ . 1 . 2 ]" 1
456 1 75 THR H 1 111 HIS HA . . 6.200 6.141 5.630 6.351 0.151 13 0 "[ . 1 . 2 ]" 1
457 1 75 THR H 1 111 HIS HB2 . . 5.700 4.731 3.693 5.680 . 0 0 "[ . 1 . 2 ]" 1
458 1 75 THR MG 1 111 HIS H . . 5.000 3.698 2.982 4.113 . 0 0 "[ . 1 . 2 ]" 1
459 1 75 THR HB 1 111 HIS HA . . 5.200 5.161 4.654 5.497 0.297 11 0 "[ . 1 . 2 ]" 1
460 1 75 THR MG 1 111 HIS HB2 . . 5.000 3.235 2.056 3.965 . 0 0 "[ . 1 . 2 ]" 1
461 1 75 THR HA 1 110 LEU HB2 . . 5.000 2.811 1.981 3.853 . 0 0 "[ . 1 . 2 ]" 1
462 1 75 THR H 1 111 HIS H . . 5.000 4.071 3.176 4.657 . 0 0 "[ . 1 . 2 ]" 1
463 1 75 THR H 1 111 HIS HB3 . . 5.800 5.116 4.320 5.792 . 0 0 "[ . 1 . 2 ]" 1
464 1 75 THR HA 1 110 LEU HB3 . . 5.000 3.221 2.049 4.348 . 0 0 "[ . 1 . 2 ]" 1
465 1 75 THR HA 1 111 HIS H . . 5.000 3.650 2.981 4.417 . 0 0 "[ . 1 . 2 ]" 1
466 1 75 THR HA 1 111 HIS HB3 . . 5.000 4.395 3.455 4.983 . 0 0 "[ . 1 . 2 ]" 1
467 1 75 THR HA 1 112 ALA HA . . 5.000 3.945 3.650 4.324 . 0 0 "[ . 1 . 2 ]" 1
468 1 75 THR HB 1 76 HIS HA . . 5.000 4.805 4.456 4.983 . 0 0 "[ . 1 . 2 ]" 1
469 1 75 THR HB 1 111 HIS HB3 . . 5.000 4.051 3.278 4.534 . 0 0 "[ . 1 . 2 ]" 1
470 1 76 HIS HB3 1 110 LEU H . . 6.800 6.309 4.098 6.888 0.088 20 0 "[ . 1 . 2 ]" 1
471 1 76 HIS HB2 1 110 LEU MD2 . . 5.000 2.746 1.913 4.953 . 0 0 "[ . 1 . 2 ]" 1
472 1 76 HIS HD2 1 108 ALA MB . . 5.000 3.663 2.210 5.097 0.097 15 0 "[ . 1 . 2 ]" 1
473 1 76 HIS H 1 77 PHE H . . 5.000 1.832 1.723 1.914 . 0 0 "[ . 1 . 2 ]" 1
474 1 76 HIS H 1 105 GLU HG3 . . 5.900 5.706 4.705 6.043 0.143 22 0 "[ . 1 . 2 ]" 1
475 1 76 HIS H 1 112 ALA HA . . 5.000 3.846 3.298 4.232 . 0 0 "[ . 1 . 2 ]" 1
476 1 76 HIS HA 1 112 ALA HA . . 6.100 6.122 5.940 6.273 0.173 22 0 "[ . 1 . 2 ]" 1
477 1 76 HIS H 1 112 ALA MB . . 5.000 4.082 3.601 4.597 . 0 0 "[ . 1 . 2 ]" 1
478 1 76 HIS HA 1 77 PHE H . . 5.000 3.440 3.340 3.526 . 0 0 "[ . 1 . 2 ]" 1
479 1 76 HIS HB3 1 77 PHE H . . 5.000 3.770 3.196 4.084 . 0 0 "[ . 1 . 2 ]" 1
480 1 76 HIS HB3 1 110 LEU HG . . 5.000 4.277 2.954 5.050 0.050 13 0 "[ . 1 . 2 ]" 1
481 1 77 PHE H 1 112 ALA HA . . 5.000 3.551 3.227 3.734 . 0 0 "[ . 1 . 2 ]" 1
482 1 77 PHE HA 1 78 ARG H . . 5.000 2.184 2.171 2.231 . 0 0 "[ . 1 . 2 ]" 1
483 1 77 PHE HB3 1 78 ARG H . . 5.000 3.922 3.120 4.356 . 0 0 "[ . 1 . 2 ]" 1
484 1 77 PHE H 1 113 LEU H . . 5.000 4.887 4.625 5.049 0.049 4 0 "[ . 1 . 2 ]" 1
485 1 77 PHE H 1 112 ALA MB . . 5.000 3.202 2.886 3.578 . 0 0 "[ . 1 . 2 ]" 1
486 1 77 PHE H 1 112 ALA H . . 6.100 5.843 5.428 6.132 0.032 14 0 "[ . 1 . 2 ]" 1
487 1 77 PHE HA 1 112 ALA HA . . 5.800 5.495 5.146 5.765 . 0 0 "[ . 1 . 2 ]" 1
488 1 77 PHE HA 1 112 ALA MB . . 5.000 4.309 4.018 4.634 . 0 0 "[ . 1 . 2 ]" 1
489 1 77 PHE HB2 1 105 GLU HB2 . . 5.000 3.540 1.937 4.799 . 0 0 "[ . 1 . 2 ]" 1
490 1 77 PHE HB2 1 105 GLU H . . 5.000 4.337 3.763 4.939 . 0 0 "[ . 1 . 2 ]" 1
491 1 77 PHE HB2 1 105 GLU HA . . 5.000 3.695 2.845 4.253 . 0 0 "[ . 1 . 2 ]" 1
492 1 77 PHE H 1 78 ARG H . . 5.000 4.459 4.438 4.498 . 0 0 "[ . 1 . 2 ]" 1
493 1 77 PHE H 1 105 GLU HA . . 5.000 4.785 3.960 5.114 0.114 9 0 "[ . 1 . 2 ]" 1
494 1 77 PHE H 1 105 GLU HB3 . . 5.700 5.229 3.815 5.882 0.182 15 0 "[ . 1 . 2 ]" 1
495 1 77 PHE H 1 105 GLU HG3 . . 5.900 5.216 4.064 5.885 . 0 0 "[ . 1 . 2 ]" 1
496 1 77 PHE H 1 110 LEU MD2 . . 5.300 3.954 1.784 5.435 0.135 5 0 "[ . 1 . 2 ]" 1
497 1 77 PHE HA 1 78 ARG HB3 . . 5.000 4.148 4.049 4.339 . 0 0 "[ . 1 . 2 ]" 1
498 1 77 PHE HB3 1 105 GLU HG3 . . 5.000 4.316 2.938 5.184 0.184 18 0 "[ . 1 . 2 ]" 1
499 1 77 PHE HB3 1 112 ALA MB . . 5.000 2.647 1.968 3.319 . 0 0 "[ . 1 . 2 ]" 1
500 1 78 ARG HA 1 113 LEU H . . 5.000 2.693 2.242 2.986 . 0 0 "[ . 1 . 2 ]" 1
501 1 78 ARG HA 1 79 LEU H . . 5.000 2.202 2.140 2.247 . 0 0 "[ . 1 . 2 ]" 1
502 1 78 ARG HB2 1 79 LEU H . . 5.000 3.285 2.911 3.964 . 0 0 "[ . 1 . 2 ]" 1
503 1 78 ARG HG2 1 79 LEU H . . 5.000 4.240 3.971 5.098 0.098 13 0 "[ . 1 . 2 ]" 1
504 1 78 ARG HA 1 114 ALA HA . . 5.000 4.254 3.767 4.727 . 0 0 "[ . 1 . 2 ]" 1
505 1 78 ARG HB2 1 113 LEU H . . 5.000 3.405 2.891 3.822 . 0 0 "[ . 1 . 2 ]" 1
506 1 78 ARG HA 1 113 LEU HB2 . . 5.200 4.975 3.569 5.221 0.021 19 0 "[ . 1 . 2 ]" 1
507 1 78 ARG HB2 1 113 LEU MD1 . . 5.000 2.504 2.048 3.464 . 0 0 "[ . 1 . 2 ]" 1
508 1 78 ARG HB2 1 113 LEU HA . . 5.400 5.251 4.563 5.503 0.103 12 0 "[ . 1 . 2 ]" 1
509 1 78 ARG HG2 1 113 LEU HG . . 5.200 4.989 4.632 5.233 0.033 4 0 "[ . 1 . 2 ]" 1
510 1 78 ARG HB2 1 113 LEU HG . . 5.000 2.263 1.973 2.993 . 0 0 "[ . 1 . 2 ]" 1
511 1 78 ARG H 1 112 ALA MB . . 5.200 4.374 4.125 4.605 . 0 0 "[ . 1 . 2 ]" 1
512 1 78 ARG HA 1 79 LEU HB3 . . 5.200 4.778 4.491 5.208 0.008 17 0 "[ . 1 . 2 ]" 1
513 1 78 ARG HA 1 101 LEU MD1 . . 5.400 3.959 2.888 5.404 0.004 14 0 "[ . 1 . 2 ]" 1
514 1 78 ARG HA 1 112 ALA MB . . 5.000 3.129 2.950 3.370 . 0 0 "[ . 1 . 2 ]" 1
515 1 78 ARG HA 1 113 LEU HG . . 5.000 3.096 2.530 3.693 . 0 0 "[ . 1 . 2 ]" 1
516 1 78 ARG HA 1 113 LEU MD1 . . 5.000 4.086 3.536 4.810 . 0 0 "[ . 1 . 2 ]" 1
517 1 78 ARG HE 1 113 LEU MD1 . . 5.000 2.350 1.851 3.368 . 0 0 "[ . 1 . 2 ]" 1
518 1 78 ARG HE 1 115 MET HG3 . . 5.700 4.761 3.251 5.765 0.065 16 0 "[ . 1 . 2 ]" 1
519 1 79 LEU H 1 114 ALA HA . . 5.000 2.660 2.129 3.060 . 0 0 "[ . 1 . 2 ]" 1
520 1 79 LEU HA 1 80 GLU H . . 5.000 2.142 2.140 2.149 . 0 0 "[ . 1 . 2 ]" 1
521 1 79 LEU H 1 115 MET H . . 5.000 4.222 3.808 4.428 . 0 0 "[ . 1 . 2 ]" 1
522 1 79 LEU HB2 1 80 GLU H . . 5.000 4.417 4.312 4.561 . 0 0 "[ . 1 . 2 ]" 1
523 1 79 LEU HG 1 80 GLU H . . 5.000 4.482 3.694 4.871 . 0 0 "[ . 1 . 2 ]" 1
524 1 79 LEU MD1 1 80 GLU H . . 5.000 3.735 2.551 4.811 . 0 0 "[ . 1 . 2 ]" 1
525 1 79 LEU H 1 114 ALA MB . . 5.000 3.211 2.381 4.099 . 0 0 "[ . 1 . 2 ]" 1
526 1 79 LEU H 1 113 LEU HA . . 5.500 5.270 5.069 5.435 . 0 0 "[ . 1 . 2 ]" 1
527 1 79 LEU HA 1 114 ALA MB . . 6.100 4.830 3.999 5.645 . 0 0 "[ . 1 . 2 ]" 1
528 1 79 LEU HB2 1 102 LEU H . . 6.200 5.963 4.371 6.264 0.064 16 0 "[ . 1 . 2 ]" 1
529 1 79 LEU HG 1 114 ALA MB . . 5.600 4.914 4.220 5.635 0.035 12 0 "[ . 1 . 2 ]" 1
530 1 79 LEU MD1 1 101 LEU MD1 . . 5.200 3.284 1.983 4.944 . 0 0 "[ . 1 . 2 ]" 1
531 1 79 LEU H 1 80 GLU H . . 5.000 4.225 4.169 4.318 . 0 0 "[ . 1 . 2 ]" 1
532 1 79 LEU H 1 101 LEU HB3 . . 6.500 6.382 5.117 6.653 0.153 19 0 "[ . 1 . 2 ]" 1
533 1 79 LEU H 1 101 LEU MD1 . . 5.000 3.325 2.299 4.183 . 0 0 "[ . 1 . 2 ]" 1
534 1 79 LEU H 1 113 LEU H . . 5.000 4.192 3.745 4.564 . 0 0 "[ . 1 . 2 ]" 1
535 1 79 LEU H 1 114 ALA H . . 5.000 4.776 4.449 5.051 0.051 16 0 "[ . 1 . 2 ]" 1
536 1 79 LEU HA 1 114 ALA HA . . 5.000 4.759 4.492 5.048 0.048 16 0 "[ . 1 . 2 ]" 1
537 1 79 LEU HA 1 101 LEU MD1 . . 5.900 4.722 3.827 5.975 0.075 18 0 "[ . 1 . 2 ]" 1
538 1 79 LEU HB3 1 101 LEU HA . . 5.000 4.606 3.910 5.068 0.068 15 0 "[ . 1 . 2 ]" 1
539 1 79 LEU HB3 1 114 ALA HA . . 5.000 3.547 2.874 4.078 . 0 0 "[ . 1 . 2 ]" 1
540 1 79 LEU HB3 1 115 MET H . . 5.000 4.428 3.593 5.004 0.004 5 0 "[ . 1 . 2 ]" 1
541 1 79 LEU HG 1 100 GLY HA2 . . 5.900 5.816 5.115 6.031 0.131 12 0 "[ . 1 . 2 ]" 1
542 1 79 LEU HG 1 101 LEU H . . 5.300 4.705 3.725 5.408 0.108 9 0 "[ . 1 . 2 ]" 1
543 1 79 LEU MD1 1 114 ALA HA . . 5.100 4.490 3.735 5.266 0.166 6 0 "[ . 1 . 2 ]" 1
544 1 80 GLU HA 1 115 MET H . . 5.000 2.588 2.163 3.100 . 0 0 "[ . 1 . 2 ]" 1
545 1 80 GLU HA 1 81 VAL H . . 5.000 2.211 2.139 2.316 . 0 0 "[ . 1 . 2 ]" 1
546 1 80 GLU HB3 1 81 VAL H . . 5.000 3.412 2.745 4.439 . 0 0 "[ . 1 . 2 ]" 1
547 1 80 GLU HA 1 116 THR HA . . 5.000 3.956 3.270 4.310 . 0 0 "[ . 1 . 2 ]" 1
548 1 80 GLU HA 1 115 MET HG3 . . 5.000 4.212 2.444 5.007 0.007 6 0 "[ . 1 . 2 ]" 1
549 1 80 GLU HG2 1 115 MET HB2 . . 5.400 3.191 1.994 5.316 . 0 0 "[ . 1 . 2 ]" 1
550 1 80 GLU HA 1 115 MET HB2 . . 5.000 3.901 3.000 5.015 0.015 3 0 "[ . 1 . 2 ]" 1
551 1 80 GLU HG2 1 115 MET ME . . 5.200 4.454 2.647 5.151 . 0 0 "[ . 1 . 2 ]" 1
552 1 80 GLU HG2 1 115 MET HG3 . . 5.200 3.212 2.244 5.343 0.143 20 0 "[ . 1 . 2 ]" 1
553 1 80 GLU HB2 1 115 MET HG3 . . 5.000 4.510 2.260 5.041 0.041 7 0 "[ . 1 . 2 ]" 1
554 1 80 GLU H 1 81 VAL H . . 5.000 4.374 4.152 4.479 . 0 0 "[ . 1 . 2 ]" 1
555 1 80 GLU H 1 81 VAL MG1 . . 5.000 4.061 3.525 4.520 . 0 0 "[ . 1 . 2 ]" 1
556 1 80 GLU HA 1 81 VAL MG1 . . 5.000 3.247 2.981 3.629 . 0 0 "[ . 1 . 2 ]" 1
557 1 80 GLU HB3 1 115 MET HB3 . . 6.100 5.677 4.471 6.349 0.249 12 0 "[ . 1 . 2 ]" 1
558 1 80 GLU HB3 1 115 MET HG3 . . 5.000 4.469 2.898 5.060 0.060 22 0 "[ . 1 . 2 ]" 1
559 1 81 VAL H 1 116 THR HA . . 5.000 2.435 2.063 2.738 . 0 0 "[ . 1 . 2 ]" 1
560 1 81 VAL HA 1 82 THR H . . 5.000 2.169 2.145 2.225 . 0 0 "[ . 1 . 2 ]" 1
561 1 81 VAL HB 1 82 THR H . . 5.000 3.455 2.968 3.818 . 0 0 "[ . 1 . 2 ]" 1
562 1 81 VAL MG1 1 82 THR H . . 5.000 4.261 4.062 4.395 . 0 0 "[ . 1 . 2 ]" 1
563 1 81 VAL MG2 1 82 THR H . . 5.000 3.110 2.743 3.693 . 0 0 "[ . 1 . 2 ]" 1
564 1 81 VAL H 1 117 THR H . . 5.000 3.735 3.322 4.043 . 0 0 "[ . 1 . 2 ]" 1
565 1 81 VAL MG2 1 98 ILE MG . . 5.000 4.453 4.016 4.875 . 0 0 "[ . 1 . 2 ]" 1
566 1 81 VAL MG1 1 95 HIS H . . 5.300 5.004 4.289 5.386 0.086 12 0 "[ . 1 . 2 ]" 1
567 1 81 VAL HA 1 116 THR HB . . 6.400 5.515 4.909 6.193 . 0 0 "[ . 1 . 2 ]" 1
568 1 81 VAL H 1 116 THR HB . . 5.000 3.812 2.731 4.235 . 0 0 "[ . 1 . 2 ]" 1
569 1 81 VAL MG2 1 116 THR H . . 5.100 4.897 4.287 5.253 0.153 14 0 "[ . 1 . 2 ]" 1
570 1 81 VAL HB 1 116 THR MG . . 6.300 5.234 4.294 6.241 . 0 0 "[ . 1 . 2 ]" 1
571 1 81 VAL MG2 1 116 THR MG . . 5.000 3.407 2.308 4.197 . 0 0 "[ . 1 . 2 ]" 1
572 1 81 VAL H 1 117 THR MG . . 5.000 4.183 3.684 4.412 . 0 0 "[ . 1 . 2 ]" 1
573 1 81 VAL H 1 115 MET H . . 5.000 4.193 3.776 4.938 . 0 0 "[ . 1 . 2 ]" 1
574 1 81 VAL H 1 116 THR MG . . 5.200 4.017 2.816 5.152 . 0 0 "[ . 1 . 2 ]" 1
575 1 81 VAL HB 1 116 THR HB . . 5.400 4.606 4.154 5.405 0.005 13 0 "[ . 1 . 2 ]" 1
576 1 81 VAL HB 1 98 ILE MD . . 5.000 4.301 3.695 5.011 0.011 7 0 "[ . 1 . 2 ]" 1
577 1 81 VAL MG1 1 116 THR HB . . 5.000 2.560 1.886 3.792 . 0 0 "[ . 1 . 2 ]" 1
578 1 81 VAL MG1 1 117 THR H . . 5.200 4.182 3.546 5.183 . 0 0 "[ . 1 . 2 ]" 1
579 1 82 THR HA 1 117 THR H . . 5.000 3.082 2.889 3.534 . 0 0 "[ . 1 . 2 ]" 1
580 1 82 THR HA 1 83 SER H . . 5.000 2.144 2.141 2.147 . 0 0 "[ . 1 . 2 ]" 1
581 1 82 THR HB 1 83 SER H . . 5.000 4.310 4.242 4.363 . 0 0 "[ . 1 . 2 ]" 1
582 1 82 THR MG 1 83 SER H . . 5.000 2.840 2.711 2.975 . 0 0 "[ . 1 . 2 ]" 1
583 1 82 THR MG 1 117 THR H . . 5.000 4.626 4.323 4.975 . 0 0 "[ . 1 . 2 ]" 1
584 1 82 THR HA 1 118 LYS HA . . 5.000 4.752 4.487 4.971 . 0 0 "[ . 1 . 2 ]" 1
585 1 82 THR H 1 116 THR HA . . 5.800 5.413 5.184 5.890 0.090 13 0 "[ . 1 . 2 ]" 1
586 1 82 THR HA 1 117 THR MG . . 5.000 1.953 1.913 2.080 . 0 0 "[ . 1 . 2 ]" 1
587 1 82 THR HA 1 117 THR HB . . 5.000 4.848 4.652 5.005 0.005 18 0 "[ . 1 . 2 ]" 1
588 1 82 THR MG 1 84 ASP H . . 5.000 3.638 3.449 3.968 . 0 0 "[ . 1 . 2 ]" 1
589 1 82 THR HB 1 117 THR MG . . 5.000 4.107 3.753 4.312 . 0 0 "[ . 1 . 2 ]" 1
590 1 82 THR MG 1 117 THR MG . . 5.000 2.438 2.003 2.721 . 0 0 "[ . 1 . 2 ]" 1
591 1 82 THR H 1 83 SER H . . 5.000 4.225 4.191 4.292 . 0 0 "[ . 1 . 2 ]" 1
592 1 82 THR HA 1 116 THR HG1 . . 6.500 6.102 4.966 6.569 0.069 2 0 "[ . 1 . 2 ]" 1
593 1 82 THR HG1 1 116 THR HA . . 5.600 5.384 4.877 5.616 0.016 13 0 "[ . 1 . 2 ]" 1
594 1 82 THR MG 1 85 ALA HA . . 5.000 2.221 1.965 2.762 . 0 0 "[ . 1 . 2 ]" 1
595 1 82 THR HA 1 117 THR HG1 . . 5.000 4.131 2.763 4.792 . 0 0 "[ . 1 . 2 ]" 1
596 1 82 THR HG1 1 117 THR HG1 . . 5.000 4.737 4.266 4.990 . 0 0 "[ . 1 . 2 ]" 1
597 1 83 SER H 1 118 LYS HA . . 5.000 2.919 2.727 3.110 . 0 0 "[ . 1 . 2 ]" 1
598 1 83 SER HA 1 84 ASP H . . 5.000 2.165 2.153 2.172 . 0 0 "[ . 1 . 2 ]" 1
599 1 83 SER HB2 1 84 ASP H . . 5.000 4.064 3.957 4.153 . 0 0 "[ . 1 . 2 ]" 1
600 1 83 SER HB3 1 84 ASP H . . 5.000 3.984 3.882 4.617 . 0 0 "[ . 1 . 2 ]" 1
601 1 83 SER H 1 118 LYS HB2 . . 5.000 3.727 3.380 3.914 . 0 0 "[ . 1 . 2 ]" 1
602 1 83 SER H 1 118 LYS HB3 . . 5.200 5.168 4.907 5.318 0.118 1 0 "[ . 1 . 2 ]" 1
603 1 83 SER H 1 117 THR H . . 5.000 3.933 3.700 4.382 . 0 0 "[ . 1 . 2 ]" 1
604 1 83 SER HG 1 118 LYS H . . 5.400 5.194 4.950 5.729 0.329 3 0 "[ . 1 . 2 ]" 1
605 1 83 SER HA 1 118 LYS HB2 . . 5.200 5.102 4.807 5.314 0.114 3 0 "[ . 1 . 2 ]" 1
606 1 83 SER HA 1 118 LYS HG2 . . 5.200 5.094 4.733 5.434 0.234 3 0 "[ . 1 . 2 ]" 1
607 1 83 SER HB3 1 85 ALA H . . 5.200 5.226 4.959 5.277 0.077 22 0 "[ . 1 . 2 ]" 1
608 1 83 SER HG 1 94 ARG HG2 . . 5.200 4.639 2.965 5.236 0.036 4 0 "[ . 1 . 2 ]" 1
609 1 83 SER HG 1 97 LEU MD1 . . 6.400 6.388 6.201 6.479 0.079 16 0 "[ . 1 . 2 ]" 1
610 1 83 SER H 1 84 ASP H . . 5.000 4.090 4.029 4.185 . 0 0 "[ . 1 . 2 ]" 1
611 1 83 SER H 1 85 ALA H . . 5.000 3.235 3.078 3.411 . 0 0 "[ . 1 . 2 ]" 1
612 1 83 SER H 1 117 THR HG1 . . 5.000 4.132 2.952 4.950 . 0 0 "[ . 1 . 2 ]" 1
613 1 83 SER HA 1 85 ALA H . . 5.000 3.582 3.525 3.855 . 0 0 "[ . 1 . 2 ]" 1
614 1 83 SER HB3 1 94 ARG HD3 . . 5.300 5.103 3.736 5.358 0.058 16 0 "[ . 1 . 2 ]" 1
615 1 83 SER HB3 1 118 LYS HA . . 5.000 4.081 3.104 4.400 . 0 0 "[ . 1 . 2 ]" 1
616 1 83 SER HB3 1 118 LYS HG3 . . 5.000 3.098 2.879 3.364 . 0 0 "[ . 1 . 2 ]" 1
617 1 83 SER HB3 1 119 THR H . . 5.000 4.805 4.304 5.110 0.110 21 0 "[ . 1 . 2 ]" 1
618 1 83 SER HG 1 94 ARG HG3 . . 5.200 4.405 3.314 5.218 0.018 19 0 "[ . 1 . 2 ]" 1
619 1 83 SER HG 1 118 LYS HA . . 5.000 3.571 3.260 3.871 . 0 0 "[ . 1 . 2 ]" 1
620 1 83 SER HG 1 118 LYS HG3 . . 5.000 2.314 1.973 2.662 . 0 0 "[ . 1 . 2 ]" 1
621 1 84 ASP HA 1 85 ALA H . . 5.000 3.208 3.160 3.499 . 0 0 "[ . 1 . 2 ]" 1
622 1 84 ASP HB2 1 85 ALA H . . 5.000 3.808 2.836 4.001 . 0 0 "[ . 1 . 2 ]" 1
623 1 84 ASP HB3 1 85 ALA H . . 5.000 4.128 3.828 4.490 . 0 0 "[ . 1 . 2 ]" 1
624 1 84 ASP H 1 85 ALA H . . 5.000 2.641 2.604 3.087 . 0 0 "[ . 1 . 2 ]" 1
625 1 84 ASP HB2 1 86 PHE H . . 5.300 4.885 3.395 5.326 0.026 5 0 "[ . 1 . 2 ]" 1
626 1 84 ASP H 1 119 THR HG1 . . 5.700 5.500 4.756 5.756 0.056 17 0 "[ . 1 . 2 ]" 1
627 1 84 ASP H 1 85 ALA MB . . 5.000 4.386 4.148 4.464 . 0 0 "[ . 1 . 2 ]" 1
628 1 84 ASP HA 1 85 ALA MB . . 5.000 3.904 3.862 3.980 . 0 0 "[ . 1 . 2 ]" 1
629 1 84 ASP HB3 1 119 THR H . . 5.000 4.055 3.348 4.962 . 0 0 "[ . 1 . 2 ]" 1
630 1 84 ASP HB3 1 119 THR HG1 . . 5.000 2.848 1.998 3.734 . 0 0 "[ . 1 . 2 ]" 1
631 1 85 ALA HA 1 86 PHE H . . 5.000 2.351 2.299 2.578 . 0 0 "[ . 1 . 2 ]" 1
632 1 85 ALA MB 1 86 PHE H . . 5.000 3.654 3.621 3.720 . 0 0 "[ . 1 . 2 ]" 1
633 1 85 ALA H 1 86 PHE H . . 5.000 3.347 2.754 3.453 . 0 0 "[ . 1 . 2 ]" 1
634 1 85 ALA HA 1 87 LYS H . . 5.000 4.780 4.137 5.071 0.071 14 0 "[ . 1 . 2 ]" 1
635 1 85 ALA H 1 86 PHE HA . . 5.700 5.696 5.308 5.749 0.049 3 0 "[ . 1 . 2 ]" 1
636 1 85 ALA MB 1 87 LYS H . . 5.400 5.309 4.919 5.475 0.075 11 0 "[ . 1 . 2 ]" 1
637 1 85 ALA H 1 118 LYS HA . . 5.000 4.404 3.578 4.661 . 0 0 "[ . 1 . 2 ]" 1
638 1 85 ALA H 1 119 THR H . . 5.000 4.987 4.597 5.078 0.078 20 0 "[ . 1 . 2 ]" 1
639 1 85 ALA HA 1 117 THR MG . . 5.400 3.183 2.776 3.913 . 0 0 "[ . 1 . 2 ]" 1
640 1 86 PHE HA 1 87 LYS H . . 5.000 2.321 2.220 2.587 . 0 0 "[ . 1 . 2 ]" 1
641 1 86 PHE HB2 1 87 LYS H . . 5.000 4.651 4.581 4.673 . 0 0 "[ . 1 . 2 ]" 1
642 1 86 PHE HB3 1 87 LYS H . . 5.000 4.192 4.089 4.373 . 0 0 "[ . 1 . 2 ]" 1
643 1 86 PHE H 1 87 LYS H . . 5.000 3.079 2.456 3.382 . 0 0 "[ . 1 . 2 ]" 1
644 1 86 PHE H 1 87 LYS HB2 . . 5.000 4.693 4.095 5.050 0.050 14 0 "[ . 1 . 2 ]" 1
645 1 86 PHE H 1 87 LYS HD2 . . 6.700 6.704 6.029 6.829 0.129 2 0 "[ . 1 . 2 ]" 1
646 1 86 PHE H 1 87 LYS HA . . 5.000 4.087 3.926 4.196 . 0 0 "[ . 1 . 2 ]" 1
647 1 86 PHE H 1 117 THR HG1 . . 5.000 2.319 1.926 3.110 . 0 0 "[ . 1 . 2 ]" 1
648 1 86 PHE H 1 119 THR HA . . 5.000 4.789 4.174 5.052 0.052 7 0 "[ . 1 . 2 ]" 1
649 1 86 PHE H 1 119 THR MG . . 5.000 4.215 3.700 4.891 . 0 0 "[ . 1 . 2 ]" 1
650 1 86 PHE HB3 1 119 THR HA . . 5.000 2.758 1.995 4.523 . 0 0 "[ . 1 . 2 ]" 1
651 1 86 PHE HB3 1 119 THR MG . . 5.000 1.938 1.878 2.071 . 0 0 "[ . 1 . 2 ]" 1
652 1 87 LYS HA 1 88 GLY H . . 5.000 2.201 2.149 2.272 . 0 0 "[ . 1 . 2 ]" 1
653 1 87 LYS HB2 1 88 GLY H . . 5.000 4.076 3.868 4.485 . 0 0 "[ . 1 . 2 ]" 1
654 1 87 LYS HD2 1 88 GLY H . . 5.200 3.793 1.917 5.200 . 0 0 "[ . 1 . 2 ]" 1
655 1 87 LYS HA 1 89 LEU H . . 5.000 4.184 3.691 5.148 0.148 13 0 "[ . 1 . 2 ]" 1
656 1 87 LYS HG3 1 91 LEU MD2 . . 5.300 4.892 4.303 5.328 0.028 10 0 "[ . 1 . 2 ]" 1
657 1 87 LYS H 1 117 THR HG1 . . 5.000 2.992 2.349 3.928 . 0 0 "[ . 1 . 2 ]" 1
658 1 87 LYS H 1 119 THR HA . . 5.300 5.300 4.937 5.402 0.102 21 0 "[ . 1 . 2 ]" 1
659 1 87 LYS H 1 119 THR MG . . 5.200 5.221 4.892 5.328 0.128 3 0 "[ . 1 . 2 ]" 1
660 1 87 LYS HA 1 117 THR HB . . 5.000 4.008 3.608 5.008 0.008 21 0 "[ . 1 . 2 ]" 1
661 1 87 LYS HA 1 118 LYS H . . 5.000 2.609 2.271 3.207 . 0 0 "[ . 1 . 2 ]" 1
662 1 87 LYS HA 1 119 THR HA . . 5.000 4.308 3.538 4.612 . 0 0 "[ . 1 . 2 ]" 1
663 1 87 LYS HA 1 119 THR MG . . 5.400 5.214 4.259 5.439 0.039 17 0 "[ . 1 . 2 ]" 1
664 1 87 LYS HB3 1 88 GLY HA2 . . 5.200 4.678 3.979 5.043 . 0 0 "[ . 1 . 2 ]" 1
665 1 87 LYS HB3 1 117 THR HB . . 5.000 3.878 3.114 5.103 0.103 21 0 "[ . 1 . 2 ]" 1
666 1 87 LYS HG3 1 91 LEU HB3 . . 5.000 4.266 3.356 5.053 0.053 10 0 "[ . 1 . 2 ]" 1
667 1 88 GLY HA2 1 89 LEU H . . 5.000 3.531 3.469 3.569 . 0 0 "[ . 1 . 2 ]" 1
668 1 88 GLY HA3 1 89 LEU H . . 5.000 2.696 2.241 2.948 . 0 0 "[ . 1 . 2 ]" 1
669 1 88 GLY H 1 89 LEU H . . 5.000 2.200 1.770 3.224 . 0 0 "[ . 1 . 2 ]" 1
670 1 88 GLY H 1 89 LEU MD1 . . 5.000 4.247 2.508 5.022 0.022 7 0 "[ . 1 . 2 ]" 1
671 1 88 GLY H 1 89 LEU HG . . 5.300 4.500 3.322 5.552 0.252 19 0 "[ . 1 . 2 ]" 1
672 1 88 GLY H 1 91 LEU HA . . 6.000 5.824 4.752 6.086 0.086 15 0 "[ . 1 . 2 ]" 1
673 1 88 GLY H 1 119 THR HA . . 5.000 4.401 3.808 5.023 0.023 13 0 "[ . 1 . 2 ]" 1
674 1 89 LEU HA 1 90 THR H . . 5.000 2.371 2.356 2.386 . 0 0 "[ . 1 . 2 ]" 1
675 1 89 LEU HB2 1 90 THR H . . 5.000 3.018 2.471 3.971 . 0 0 "[ . 1 . 2 ]" 1
676 1 89 LEU HG 1 90 THR H . . 5.000 4.589 4.000 4.975 . 0 0 "[ . 1 . 2 ]" 1
677 1 89 LEU MD1 1 90 THR H . . 5.000 3.907 2.850 4.823 . 0 0 "[ . 1 . 2 ]" 1
678 1 89 LEU H 1 90 THR MG . . 5.800 5.531 4.123 5.879 0.079 1 0 "[ . 1 . 2 ]" 1
679 1 89 LEU H 1 90 THR H . . 5.000 4.565 4.498 4.616 . 0 0 "[ . 1 . 2 ]" 1
680 1 89 LEU HB3 1 90 THR MG . . 5.200 4.104 2.836 5.220 0.020 1 0 "[ . 1 . 2 ]" 1
681 1 89 LEU MD1 1 90 THR MG . . 5.400 4.075 1.850 5.302 . 0 0 "[ . 1 . 2 ]" 1
682 1 89 LEU MD2 1 121 ALA H . . 5.000 3.884 2.453 5.022 0.022 21 0 "[ . 1 . 2 ]" 1
683 1 90 THR HA 1 91 LEU H . . 5.000 2.228 2.148 2.933 . 0 0 "[ . 1 . 2 ]" 1
684 1 90 THR HA 1 92 VAL H . . 5.000 3.622 3.422 3.821 . 0 0 "[ . 1 . 2 ]" 1
685 1 90 THR MG 1 91 LEU H . . 5.000 4.112 3.901 4.285 . 0 0 "[ . 1 . 2 ]" 1
686 1 90 THR H 1 91 LEU H . . 5.000 4.281 2.675 4.558 . 0 0 "[ . 1 . 2 ]" 1
687 1 90 THR HA 1 91 LEU MD2 . . 5.200 3.304 3.058 3.902 . 0 0 "[ . 1 . 2 ]" 1
688 1 90 THR HA 1 92 VAL MG2 . . 5.000 3.895 3.039 4.352 . 0 0 "[ . 1 . 2 ]" 1
689 1 90 THR HG1 1 93 LYS H . . 5.000 3.802 1.948 4.832 . 0 0 "[ . 1 . 2 ]" 1
690 1 91 LEU HA 1 92 VAL H . . 5.000 3.479 3.453 3.510 . 0 0 "[ . 1 . 2 ]" 1
691 1 91 LEU HA 1 93 LYS H . . 5.000 3.668 3.537 3.954 . 0 0 "[ . 1 . 2 ]" 1
692 1 91 LEU HB2 1 92 VAL H . . 5.000 4.050 3.996 4.130 . 0 0 "[ . 1 . 2 ]" 1
693 1 91 LEU HG 1 92 VAL H . . 5.000 2.541 2.415 2.851 . 0 0 "[ . 1 . 2 ]" 1
694 1 91 LEU H 1 92 VAL H . . 5.000 2.602 2.482 2.758 . 0 0 "[ . 1 . 2 ]" 1
695 1 91 LEU HA 1 94 ARG HB2 . . 5.000 3.467 3.020 3.853 . 0 0 "[ . 1 . 2 ]" 1
696 1 91 LEU HA 1 94 ARG H . . 5.000 3.416 3.291 3.571 . 0 0 "[ . 1 . 2 ]" 1
697 1 91 LEU HG 1 95 HIS H . . 5.000 4.951 4.689 5.041 0.041 3 0 "[ . 1 . 2 ]" 1
698 1 91 LEU MD1 1 94 ARG H . . 6.100 6.048 5.724 6.174 0.074 22 0 "[ . 1 . 2 ]" 1
699 1 91 LEU MD1 1 117 THR HB . . 6.000 5.616 4.881 6.012 0.012 4 0 "[ . 1 . 2 ]" 1
700 1 91 LEU HA 1 94 ARG HG2 . . 5.600 5.112 3.540 5.746 0.146 16 0 "[ . 1 . 2 ]" 1
701 1 91 LEU H 1 92 VAL MG2 . . 5.000 4.055 3.676 4.247 . 0 0 "[ . 1 . 2 ]" 1
702 1 91 LEU H 1 93 LYS H . . 5.000 4.201 4.011 4.478 . 0 0 "[ . 1 . 2 ]" 1
703 1 91 LEU HG 1 92 VAL HA . . 5.000 3.090 3.003 3.212 . 0 0 "[ . 1 . 2 ]" 1
704 1 91 LEU HG 1 92 VAL MG1 . . 5.000 2.768 2.406 4.638 . 0 0 "[ . 1 . 2 ]" 1
705 1 92 VAL HA 1 93 LYS H . . 3.500 3.452 3.414 3.519 0.019 19 0 "[ . 1 . 2 ]" 1
706 1 92 VAL HA 1 95 HIS H . . 5.000 3.542 3.359 3.689 . 0 0 "[ . 1 . 2 ]" 1
707 1 92 VAL HA 1 96 GLN H . . 5.000 3.873 3.593 4.327 . 0 0 "[ . 1 . 2 ]" 1
708 1 92 VAL HB 1 93 LYS H . . 5.000 4.000 3.105 4.198 . 0 0 "[ . 1 . 2 ]" 1
709 1 92 VAL MG2 1 93 LYS H . . 5.000 2.241 1.965 3.965 . 0 0 "[ . 1 . 2 ]" 1
710 1 92 VAL H 1 93 LYS H . . 2.800 2.686 2.644 2.741 . 0 0 "[ . 1 . 2 ]" 1
711 1 92 VAL HA 1 95 HIS HB2 . . 5.000 3.682 2.524 4.449 . 0 0 "[ . 1 . 2 ]" 1
712 1 92 VAL H 1 116 THR MG . . 5.200 4.680 4.020 5.242 0.042 19 0 "[ . 1 . 2 ]" 1
713 1 92 VAL MG2 1 95 HIS H . . 5.200 5.176 4.908 5.233 0.033 7 0 "[ . 1 . 2 ]" 1
714 1 92 VAL HB 1 96 GLN H . . 5.000 4.805 4.421 5.174 0.174 20 0 "[ . 1 . 2 ]" 1
715 1 92 VAL MG2 1 96 GLN H . . 5.000 4.851 4.626 5.175 0.175 20 0 "[ . 1 . 2 ]" 1
716 1 92 VAL HA 1 94 ARG H . . 5.000 4.520 4.233 4.662 . 0 0 "[ . 1 . 2 ]" 1
717 1 93 LYS HA 1 94 ARG H . . 3.500 3.557 3.539 3.562 0.062 16 0 "[ . 1 . 2 ]" 1
718 1 93 LYS HA 1 96 GLN H . . 5.000 3.648 3.480 3.758 . 0 0 "[ . 1 . 2 ]" 1
719 1 93 LYS HB2 1 94 ARG H . . 5.000 3.850 3.718 3.948 . 0 0 "[ . 1 . 2 ]" 1
720 1 93 LYS HG2 1 94 ARG H . . 5.000 3.927 3.763 4.196 . 0 0 "[ . 1 . 2 ]" 1
721 1 93 LYS H 1 94 ARG H . . 2.800 2.691 2.644 2.805 0.005 19 0 "[ . 1 . 2 ]" 1
722 1 93 LYS HA 1 96 GLN HB2 . . 5.000 3.959 3.471 4.281 . 0 0 "[ . 1 . 2 ]" 1
723 1 93 LYS HA 1 96 GLN HG3 . . 5.600 5.544 5.252 5.691 0.091 19 0 "[ . 1 . 2 ]" 1
724 1 93 LYS HG2 1 96 GLN H . . 5.200 5.156 4.844 5.324 0.124 20 0 "[ . 1 . 2 ]" 1
725 1 93 LYS HA 1 96 GLN HG2 . . 5.000 4.435 4.104 4.885 . 0 0 "[ . 1 . 2 ]" 1
726 1 93 LYS HG2 1 96 GLN HG2 . . 5.400 5.357 4.979 5.506 0.106 11 0 "[ . 1 . 2 ]" 1
727 1 93 LYS HD3 1 118 LYS HB3 . . 5.900 5.851 5.482 5.949 0.049 16 0 "[ . 1 . 2 ]" 1
728 1 93 LYS H 1 95 HIS H . . 5.000 4.134 4.001 4.286 . 0 0 "[ . 1 . 2 ]" 1
729 1 93 LYS HB3 1 97 LEU MD1 . . 5.000 4.349 3.958 4.684 . 0 0 "[ . 1 . 2 ]" 1
730 1 93 LYS HD2 1 94 ARG HA . . 5.000 4.265 3.435 5.011 0.011 17 0 "[ . 1 . 2 ]" 1
731 1 93 LYS HD2 1 94 ARG H . . 5.000 3.611 2.629 4.552 . 0 0 "[ . 1 . 2 ]" 1
732 1 93 LYS HD2 1 97 LEU HG . . 5.100 5.068 4.899 5.174 0.074 16 0 "[ . 1 . 2 ]" 1
733 1 94 ARG HA 1 95 HIS H . . 3.500 3.551 3.517 3.558 0.058 3 0 "[ . 1 . 2 ]" 1
734 1 94 ARG HA 1 97 LEU H . . 5.000 3.414 3.329 3.536 . 0 0 "[ . 1 . 2 ]" 1
735 1 94 ARG HB2 1 95 HIS H . . 5.000 2.851 2.484 3.566 . 0 0 "[ . 1 . 2 ]" 1
736 1 94 ARG HG3 1 95 HIS H . . 5.000 4.733 4.144 4.958 . 0 0 "[ . 1 . 2 ]" 1
737 1 94 ARG H 1 95 HIS H . . 2.800 2.690 2.611 2.763 . 0 0 "[ . 1 . 2 ]" 1
738 1 94 ARG HA 1 97 LEU HB2 . . 5.000 2.652 2.443 3.178 . 0 0 "[ . 1 . 2 ]" 1
739 1 94 ARG HA 1 97 LEU HG . . 5.000 3.545 3.271 4.113 . 0 0 "[ . 1 . 2 ]" 1
740 1 94 ARG HB2 1 116 THR H . . 6.000 5.515 4.869 6.032 0.032 3 0 "[ . 1 . 2 ]" 1
741 1 94 ARG HA 1 97 LEU MD1 . . 5.000 2.280 1.936 2.938 . 0 0 "[ . 1 . 2 ]" 1
742 1 94 ARG HA 1 98 ILE MG . . 5.000 4.453 4.118 4.638 . 0 0 "[ . 1 . 2 ]" 1
743 1 94 ARG HB3 1 95 HIS HA . . 5.000 4.034 3.873 4.337 . 0 0 "[ . 1 . 2 ]" 1
744 1 95 HIS HA 1 96 GLN H . . 3.500 3.512 3.459 3.546 0.046 1 0 "[ . 1 . 2 ]" 1
745 1 95 HIS HA 1 98 ILE H . . 5.000 3.823 3.645 3.949 . 0 0 "[ . 1 . 2 ]" 1
746 1 95 HIS HB2 1 96 GLN H . . 5.000 3.779 2.618 4.266 . 0 0 "[ . 1 . 2 ]" 1
747 1 95 HIS H 1 96 GLN H . . 2.800 2.654 2.553 2.729 . 0 0 "[ . 1 . 2 ]" 1
748 1 95 HIS HA 1 98 ILE HB . . 5.500 5.438 5.158 5.579 0.079 1 0 "[ . 1 . 2 ]" 1
749 1 95 HIS HA 1 98 ILE MG . . 5.000 4.268 3.990 4.455 . 0 0 "[ . 1 . 2 ]" 1
750 1 95 HIS HA 1 99 TYR H . . 5.000 3.933 3.658 4.254 . 0 0 "[ . 1 . 2 ]" 1
751 1 96 GLN HA 1 97 LEU H . . 3.500 3.510 3.495 3.548 0.048 5 0 "[ . 1 . 2 ]" 1
752 1 96 GLN HA 1 99 TYR H . . 5.000 3.335 3.156 3.472 . 0 0 "[ . 1 . 2 ]" 1
753 1 96 GLN HB2 1 97 LEU H . . 5.000 4.048 3.907 4.103 . 0 0 "[ . 1 . 2 ]" 1
754 1 96 GLN HB3 1 97 LEU H . . 5.000 2.793 2.554 2.876 . 0 0 "[ . 1 . 2 ]" 1
755 1 96 GLN HG2 1 97 LEU H . . 5.000 3.840 3.440 4.134 . 0 0 "[ . 1 . 2 ]" 1
756 1 96 GLN HG3 1 97 LEU H . . 5.000 4.297 4.020 4.687 . 0 0 "[ . 1 . 2 ]" 1
757 1 96 GLN HG3 1 99 TYR H . . 5.400 5.091 4.615 5.461 0.061 4 0 "[ . 1 . 2 ]" 1
758 1 96 GLN H 1 97 LEU H . . 2.800 2.508 2.463 2.600 . 0 0 "[ . 1 . 2 ]" 1
759 1 96 GLN HA 1 99 TYR HA . . 5.000 3.372 3.159 3.542 . 0 0 "[ . 1 . 2 ]" 1
760 1 96 GLN HB3 1 97 LEU HA . . 5.000 4.396 4.320 4.468 . 0 0 "[ . 1 . 2 ]" 1
761 1 96 GLN HG2 1 99 TYR HB3 . . 5.800 5.531 5.243 5.979 0.179 11 0 "[ . 1 . 2 ]" 1
762 1 97 LEU HA 1 98 ILE H . . 5.000 3.561 3.558 3.565 . 0 0 "[ . 1 . 2 ]" 1
763 1 97 LEU HB2 1 98 ILE H . . 5.000 2.534 2.394 2.771 . 0 0 "[ . 1 . 2 ]" 1
764 1 97 LEU H 1 98 ILE H . . 5.000 2.812 2.663 2.914 . 0 0 "[ . 1 . 2 ]" 1
765 1 97 LEU H 1 99 TYR H . . 5.000 3.804 3.595 4.098 . 0 0 "[ . 1 . 2 ]" 1
766 1 97 LEU MD1 1 98 ILE H . . 5.000 4.339 4.100 4.488 . 0 0 "[ . 1 . 2 ]" 1
767 1 98 ILE HA 1 99 TYR H . . 5.000 3.477 3.425 3.534 . 0 0 "[ . 1 . 2 ]" 1
768 1 98 ILE HB 1 99 TYR H . . 5.000 3.917 3.670 4.086 . 0 0 "[ . 1 . 2 ]" 1
769 1 98 ILE MG 1 99 TYR H . . 5.000 3.971 3.853 4.037 . 0 0 "[ . 1 . 2 ]" 1
770 1 98 ILE H 1 99 TYR H . . 5.000 2.376 2.338 2.473 . 0 0 "[ . 1 . 2 ]" 1
771 1 98 ILE HA 1 100 GLY H . . 5.000 4.686 4.419 5.009 0.009 12 0 "[ . 1 . 2 ]" 1
772 1 98 ILE MG 1 100 GLY H . . 5.000 4.630 4.455 4.894 . 0 0 "[ . 1 . 2 ]" 1
773 1 99 TYR HA 1 100 GLY H . . 5.000 2.698 2.570 2.794 . 0 0 "[ . 1 . 2 ]" 1
774 1 99 TYR HB2 1 100 GLY H . . 5.000 4.469 4.352 4.658 . 0 0 "[ . 1 . 2 ]" 1
775 1 99 TYR HB3 1 100 GLY H . . 5.000 4.589 4.312 4.661 . 0 0 "[ . 1 . 2 ]" 1
776 1 99 TYR H 1 100 GLY H . . 5.000 3.032 2.955 3.148 . 0 0 "[ . 1 . 2 ]" 1
777 1 100 GLY HA2 1 101 LEU H . . 5.000 3.484 3.265 3.529 . 0 0 "[ . 1 . 2 ]" 1
778 1 100 GLY HA3 1 101 LEU H . . 5.000 2.950 2.854 3.290 . 0 0 "[ . 1 . 2 ]" 1
779 1 104 ASP HB2 1 105 GLU H . . 5.000 3.896 3.652 4.126 . 0 0 "[ . 1 . 2 ]" 1
780 1 104 ASP H 1 105 GLU H . . 2.800 2.454 2.383 2.675 . 0 0 "[ . 1 . 2 ]" 1
781 1 104 ASP HA 1 107 LYS HB2 . . 5.000 3.552 2.840 4.235 . 0 0 "[ . 1 . 2 ]" 1
782 1 104 ASP HA 1 107 LYS HG2 . . 5.400 5.306 4.553 5.557 0.157 15 0 "[ . 1 . 2 ]" 1
783 1 104 ASP HA 1 107 LYS HB3 . . 5.000 3.260 2.509 3.744 . 0 0 "[ . 1 . 2 ]" 1
784 1 104 ASP HA 1 107 LYS HD3 . . 5.000 5.007 4.873 5.053 0.053 7 0 "[ . 1 . 2 ]" 1
785 1 105 GLU HA 1 106 PHE H . . 3.500 3.515 3.476 3.562 0.062 14 0 "[ . 1 . 2 ]" 1
786 1 105 GLU H 1 106 PHE H . . 3.000 2.770 2.678 2.898 . 0 0 "[ . 1 . 2 ]" 1
787 1 105 GLU HA 1 108 ALA H . . 5.000 3.483 3.191 3.839 . 0 0 "[ . 1 . 2 ]" 1
788 1 105 GLU HA 1 108 ALA MB . . 5.000 3.021 2.686 3.649 . 0 0 "[ . 1 . 2 ]" 1
789 1 105 GLU HB2 1 106 PHE H . . 5.000 3.922 2.579 4.267 . 0 0 "[ . 1 . 2 ]" 1
790 1 105 GLU HB3 1 106 PHE H . . 5.000 3.306 2.618 3.944 . 0 0 "[ . 1 . 2 ]" 1
791 1 105 GLU HG2 1 106 PHE H . . 5.000 3.171 2.064 5.279 0.279 10 0 "[ . 1 . 2 ]" 1
792 1 105 GLU H 1 110 LEU MD2 . . 6.200 6.091 5.480 6.557 0.357 9 0 "[ . 1 . 2 ]" 1
793 1 105 GLU HA 1 110 LEU MD2 . . 5.000 3.851 3.271 4.204 . 0 0 "[ . 1 . 2 ]" 1
794 1 105 GLU HB3 1 112 ALA MB . . 5.000 3.217 2.276 3.975 . 0 0 "[ . 1 . 2 ]" 1
795 1 105 GLU HG3 1 106 PHE HB3 . . 6.100 5.951 5.398 6.424 0.324 16 0 "[ . 1 . 2 ]" 1
796 1 105 GLU HG3 1 110 LEU MD2 . . 5.300 4.435 2.538 5.684 0.384 16 0 "[ . 1 . 2 ]" 1
797 1 106 PHE HA 1 107 LYS H . . 3.500 3.502 3.457 3.553 0.053 4 0 "[ . 1 . 2 ]" 1
798 1 106 PHE HA 1 109 GLY H . . 5.000 3.331 2.914 4.034 . 0 0 "[ . 1 . 2 ]" 1
799 1 106 PHE HB2 1 107 LYS H . . 5.000 3.871 2.648 4.319 . 0 0 "[ . 1 . 2 ]" 1
800 1 106 PHE H 1 107 LYS H . . 2.800 2.650 2.443 2.852 0.052 4 0 "[ . 1 . 2 ]" 1
801 1 106 PHE H 1 110 LEU MD2 . . 6.000 5.980 5.362 6.356 0.356 4 0 "[ . 1 . 2 ]" 1
802 1 107 LYS HA 1 108 ALA H . . 5.000 3.440 3.380 3.509 . 0 0 "[ . 1 . 2 ]" 1
803 1 107 LYS HB2 1 108 ALA H . . 5.000 4.160 3.889 4.285 . 0 0 "[ . 1 . 2 ]" 1
804 1 107 LYS HG2 1 108 ALA H . . 5.000 4.142 3.701 4.834 . 0 0 "[ . 1 . 2 ]" 1
805 1 107 LYS H 1 108 ALA H . . 5.000 2.578 2.391 2.667 . 0 0 "[ . 1 . 2 ]" 1
806 1 107 LYS HB3 1 108 ALA MB . . 5.800 4.006 3.699 4.319 . 0 0 "[ . 1 . 2 ]" 1
807 1 107 LYS HG3 1 108 ALA HA . . 5.000 4.655 4.205 5.030 0.030 7 0 "[ . 1 . 2 ]" 1
808 1 108 ALA HA 1 109 GLY H . . 5.000 3.544 3.464 3.576 . 0 0 "[ . 1 . 2 ]" 1
809 1 108 ALA MB 1 109 GLY H . . 5.000 2.496 2.184 2.970 . 0 0 "[ . 1 . 2 ]" 1
810 1 108 ALA H 1 109 GLY H . . 5.200 2.346 2.033 2.709 . 0 0 "[ . 1 . 2 ]" 1
811 1 108 ALA MB 1 110 LEU H . . 5.000 2.525 2.345 2.862 . 0 0 "[ . 1 . 2 ]" 1
812 1 109 GLY HA2 1 110 LEU H . . 5.000 3.189 3.072 3.343 . 0 0 "[ . 1 . 2 ]" 1
813 1 109 GLY H 1 110 LEU H . . 5.000 2.200 2.058 2.514 . 0 0 "[ . 1 . 2 ]" 1
814 1 109 GLY HA2 1 110 LEU HA . . 5.000 4.515 4.471 4.719 . 0 0 "[ . 1 . 2 ]" 1
815 1 110 LEU HA 1 111 HIS H . . 5.000 2.216 2.175 2.256 . 0 0 "[ . 1 . 2 ]" 1
816 1 110 LEU MD1 1 111 HIS H . . 5.000 4.195 3.561 4.852 . 0 0 "[ . 1 . 2 ]" 1
817 1 110 LEU HA 1 111 HIS HA . . 5.000 4.320 4.307 4.332 . 0 0 "[ . 1 . 2 ]" 1
818 1 110 LEU HB3 1 111 HIS H . . 5.000 3.416 2.979 4.102 . 0 0 "[ . 1 . 2 ]" 1
819 1 111 HIS HA 1 112 ALA H . . 5.000 2.553 2.163 2.751 . 0 0 "[ . 1 . 2 ]" 1
820 1 111 HIS HB2 1 112 ALA H . . 5.000 3.806 3.525 4.397 . 0 0 "[ . 1 . 2 ]" 1
821 1 111 HIS H 1 112 ALA H . . 5.000 4.572 4.477 4.647 . 0 0 "[ . 1 . 2 ]" 1
822 1 111 HIS H 1 112 ALA MB . . 5.700 5.432 5.275 5.613 . 0 0 "[ . 1 . 2 ]" 1
823 1 111 HIS HA 1 112 ALA MB . . 5.000 3.839 3.674 3.959 . 0 0 "[ . 1 . 2 ]" 1
824 1 111 HIS HB3 1 112 ALA H . . 5.000 2.510 2.074 3.807 . 0 0 "[ . 1 . 2 ]" 1
825 1 111 HIS HB3 1 112 ALA HA . . 5.000 4.021 3.864 4.461 . 0 0 "[ . 1 . 2 ]" 1
826 1 112 ALA HA 1 113 LEU H . . 5.000 2.372 2.276 2.404 . 0 0 "[ . 1 . 2 ]" 1
827 1 112 ALA MB 1 113 LEU H . . 5.000 2.456 2.368 2.706 . 0 0 "[ . 1 . 2 ]" 1
828 1 112 ALA H 1 113 LEU H . . 5.000 4.407 4.327 4.506 . 0 0 "[ . 1 . 2 ]" 1
829 1 112 ALA HA 1 113 LEU HG . . 5.000 3.948 3.353 4.385 . 0 0 "[ . 1 . 2 ]" 1
830 1 113 LEU HA 1 114 ALA H . . 5.000 2.227 2.146 2.289 . 0 0 "[ . 1 . 2 ]" 1
831 1 113 LEU HB2 1 114 ALA H . . 5.000 2.997 2.736 3.472 . 0 0 "[ . 1 . 2 ]" 1
832 1 113 LEU HB3 1 114 ALA H . . 5.000 3.807 2.913 4.101 . 0 0 "[ . 1 . 2 ]" 1
833 1 113 LEU HA 1 114 ALA MB . . 5.000 3.862 3.773 3.958 . 0 0 "[ . 1 . 2 ]" 1
834 1 114 ALA HA 1 115 MET H . . 5.000 2.190 2.143 2.241 . 0 0 "[ . 1 . 2 ]" 1
835 1 114 ALA MB 1 115 MET H . . 5.000 2.994 2.759 3.372 . 0 0 "[ . 1 . 2 ]" 1
836 1 114 ALA H 1 115 MET H . . 5.000 4.320 4.068 4.434 . 0 0 "[ . 1 . 2 ]" 1
837 1 115 MET HA 1 116 THR H . . 5.000 2.140 2.139 2.141 . 0 0 "[ . 1 . 2 ]" 1
838 1 115 MET HB2 1 116 THR H . . 5.000 3.945 3.440 4.144 . 0 0 "[ . 1 . 2 ]" 1
839 1 115 MET HA 1 116 THR MG . . 5.500 3.489 3.260 3.709 . 0 0 "[ . 1 . 2 ]" 1
840 1 115 MET HB3 1 116 THR H . . 5.000 3.660 3.480 4.244 . 0 0 "[ . 1 . 2 ]" 1
841 1 116 THR HA 1 117 THR H . . 5.000 2.147 2.140 2.180 . 0 0 "[ . 1 . 2 ]" 1
842 1 116 THR MG 1 117 THR H . . 5.000 4.221 4.006 4.418 . 0 0 "[ . 1 . 2 ]" 1
843 1 116 THR HB 1 117 THR H . . 5.000 3.784 3.314 4.318 . 0 0 "[ . 1 . 2 ]" 1
844 1 117 THR HA 1 118 LYS H . . 5.000 2.153 2.141 2.159 . 0 0 "[ . 1 . 2 ]" 1
845 1 117 THR MG 1 118 LYS H . . 5.000 4.273 4.229 4.433 . 0 0 "[ . 1 . 2 ]" 1
846 1 117 THR HB 1 118 LYS H . . 5.000 4.260 4.099 4.303 . 0 0 "[ . 1 . 2 ]" 1
847 1 118 LYS HA 1 119 THR H . . 5.000 2.235 2.200 2.357 . 0 0 "[ . 1 . 2 ]" 1
848 1 118 LYS HB2 1 119 THR H . . 5.000 4.009 3.908 4.097 . 0 0 "[ . 1 . 2 ]" 1
849 1 118 LYS HB3 1 119 THR H . . 5.000 3.973 3.590 4.110 . 0 0 "[ . 1 . 2 ]" 1
850 1 118 LYS HG2 1 119 THR H . . 5.000 2.059 1.877 2.180 . 0 0 "[ . 1 . 2 ]" 1
851 1 118 LYS HA 1 119 THR HG1 . . 5.000 4.303 3.264 5.032 0.032 16 0 "[ . 1 . 2 ]" 1
852 1 121 ALA HA 1 122 GLU H . . 5.000 3.320 3.115 3.417 . 0 0 "[ . 1 . 2 ]" 1
853 1 121 ALA MB 1 122 GLU H . . 5.000 3.194 3.024 3.496 . 0 0 "[ . 1 . 2 ]" 1
854 1 121 ALA H 1 122 GLU H . . 5.000 2.320 2.055 2.567 . 0 0 "[ . 1 . 2 ]" 1
855 1 121 ALA MB 1 122 GLU HA . . 5.000 4.037 3.877 4.238 . 0 0 "[ . 1 . 2 ]" 1
856 1 122 GLU HA 1 123 GLN H . . 5.000 2.159 2.138 2.213 . 0 0 "[ . 1 . 2 ]" 1
857 1 122 GLU HB2 1 123 GLN H . . 5.000 4.378 3.147 4.657 . 0 0 "[ . 1 . 2 ]" 1
858 1 122 GLU H 1 123 GLN H . . 5.000 4.291 4.033 4.477 . 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 33
_Distance_constraint_stats_list.Viol_count 338
_Distance_constraint_stats_list.Viol_total 372.855
_Distance_constraint_stats_list.Viol_max 0.170
_Distance_constraint_stats_list.Viol_rms 0.0349
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0233
_Distance_constraint_stats_list.Viol_average_violations_only 0.0501
_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 35 ALA 3.193 0.170 8 0 "[ . 1 . 2 ]"
1 36 ILE 1.231 0.112 4 0 "[ . 1 . 2 ]"
1 37 LYS 2.675 0.134 12 0 "[ . 1 . 2 ]"
1 39 LYS 3.193 0.170 8 0 "[ . 1 . 2 ]"
1 40 VAL 1.231 0.112 4 0 "[ . 1 . 2 ]"
1 41 GLU 2.675 0.134 12 0 "[ . 1 . 2 ]"
1 48 HIS 1.650 0.132 5 0 "[ . 1 . 2 ]"
1 50 LYS 1.158 0.126 19 0 "[ . 1 . 2 ]"
1 52 ILE 1.896 0.153 13 0 "[ . 1 . 2 ]"
1 77 PHE 1.220 0.098 11 0 "[ . 1 . 2 ]"
1 78 ARG 1.896 0.153 13 0 "[ . 1 . 2 ]"
1 79 LEU 0.108 0.043 15 0 "[ . 1 . 2 ]"
1 80 GLU 1.158 0.126 19 0 "[ . 1 . 2 ]"
1 82 THR 1.650 0.132 5 0 "[ . 1 . 2 ]"
1 91 LEU 0.623 0.165 3 0 "[ . 1 . 2 ]"
1 92 VAL 0.338 0.052 22 0 "[ . 1 . 2 ]"
1 93 LYS 0.343 0.048 18 0 "[ . 1 . 2 ]"
1 94 ARG 0.935 0.092 4 0 "[ . 1 . 2 ]"
1 95 HIS 0.623 0.165 3 0 "[ . 1 . 2 ]"
1 96 GLN 0.338 0.052 22 0 "[ . 1 . 2 ]"
1 97 LEU 0.343 0.048 18 0 "[ . 1 . 2 ]"
1 98 ILE 0.935 0.092 4 0 "[ . 1 . 2 ]"
1 104 ASP 1.072 0.128 7 0 "[ . 1 . 2 ]"
1 105 GLU 0.506 0.149 21 0 "[ . 1 . 2 ]"
1 108 ALA 1.072 0.128 7 0 "[ . 1 . 2 ]"
1 109 GLY 0.506 0.149 21 0 "[ . 1 . 2 ]"
1 113 LEU 1.328 0.098 11 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 35 ALA O 1 39 LYS H . . 2.300 2.346 2.210 2.440 0.140 8 0 "[ . 1 . 2 ]" 2
2 1 35 ALA O 1 39 LYS N . . 3.200 3.289 3.161 3.370 0.170 8 0 "[ . 1 . 2 ]" 2
3 1 36 ILE O 1 40 VAL H . . 2.100 2.133 2.050 2.212 0.112 4 0 "[ . 1 . 2 ]" 2
4 1 36 ILE O 1 40 VAL N . . 3.000 3.002 2.890 3.054 0.054 2 0 "[ . 1 . 2 ]" 2
5 1 37 LYS O 1 41 GLU H . . 2.400 2.471 2.427 2.534 0.134 12 0 "[ . 1 . 2 ]" 2
6 1 37 LYS O 1 41 GLU N . . 3.300 3.351 3.294 3.414 0.114 12 0 "[ . 1 . 2 ]" 2
7 1 91 LEU O 1 95 HIS H . . 2.400 2.228 1.970 2.496 0.096 3 0 "[ . 1 . 2 ]" 2
8 1 91 LEU O 1 95 HIS N . . 3.300 3.200 2.950 3.465 0.165 3 0 "[ . 1 . 2 ]" 2
9 1 92 VAL O 1 96 GLN H . . 2.100 2.065 1.778 2.152 0.052 22 0 "[ . 1 . 2 ]" 2
10 1 92 VAL O 1 96 GLN N . . 3.000 2.888 2.676 3.025 0.025 22 0 "[ . 1 . 2 ]" 2
11 1 93 LYS O 1 97 LEU H . . 2.120 2.066 1.879 2.168 0.048 18 0 "[ . 1 . 2 ]" 2
12 1 93 LYS O 1 97 LEU N . . 3.000 2.916 2.746 3.021 0.021 5 0 "[ . 1 . 2 ]" 2
13 1 94 ARG O 1 98 ILE H . . 2.300 2.323 2.154 2.392 0.092 4 0 "[ . 1 . 2 ]" 2
14 1 94 ARG O 1 98 ILE N . . 3.300 3.286 3.121 3.350 0.050 4 0 "[ . 1 . 2 ]" 2
15 1 104 ASP O 1 108 ALA H . . 2.800 2.751 2.040 2.928 0.128 7 0 "[ . 1 . 2 ]" 2
16 1 104 ASP O 1 108 ALA N . . 3.600 3.475 2.969 3.684 0.084 7 0 "[ . 1 . 2 ]" 2
17 1 105 GLU O 1 109 GLY H . . 2.400 2.060 1.743 2.490 0.090 21 0 "[ . 1 . 2 ]" 2
18 1 105 GLU O 1 109 GLY N . . 3.300 2.987 2.626 3.449 0.149 21 0 "[ . 1 . 2 ]" 2
19 1 48 HIS H 1 82 THR O . . 2.000 1.959 1.882 2.007 0.007 10 0 "[ . 1 . 2 ]" 2
20 1 48 HIS N 1 82 THR O . . 2.800 2.795 2.679 2.905 0.105 10 0 "[ . 1 . 2 ]" 2
21 1 48 HIS O 1 82 THR H . . 2.000 1.838 1.746 1.996 . 0 0 "[ . 1 . 2 ]" 2
22 1 48 HIS O 1 82 THR N . . 2.700 2.743 2.709 2.832 0.132 5 0 "[ . 1 . 2 ]" 2
23 1 50 LYS H 1 80 GLU H . . 3.200 3.187 3.069 3.265 0.065 1 0 "[ . 1 . 2 ]" 2
24 1 50 LYS N 1 80 GLU N . . 4.600 4.556 4.421 4.699 0.099 18 0 "[ . 1 . 2 ]" 2
25 1 50 LYS O 1 80 GLU O . . 3.400 3.420 3.315 3.526 0.126 19 0 "[ . 1 . 2 ]" 2
26 1 52 ILE H 1 78 ARG O . . 2.200 2.224 2.041 2.353 0.153 13 0 "[ . 1 . 2 ]" 2
27 1 52 ILE N 1 78 ARG O . . 3.200 3.177 3.005 3.271 0.071 17 0 "[ . 1 . 2 ]" 2
28 1 52 ILE O 1 78 ARG H . . 2.400 2.323 2.112 2.455 0.055 13 0 "[ . 1 . 2 ]" 2
29 1 52 ILE O 1 78 ARG N . . 3.200 3.197 3.016 3.298 0.098 9 0 "[ . 1 . 2 ]" 2
30 1 77 PHE O 1 113 LEU H . . 2.500 2.521 2.317 2.598 0.098 11 0 "[ . 1 . 2 ]" 2
31 1 77 PHE O 1 113 LEU N . . 3.400 3.389 3.186 3.467 0.067 11 0 "[ . 1 . 2 ]" 2
32 1 79 LEU H 1 113 LEU O . . 2.400 2.208 1.900 2.443 0.043 15 0 "[ . 1 . 2 ]" 2
33 1 79 LEU N 1 113 LEU O . . 3.300 3.103 2.865 3.285 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_
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