Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
438502 | 2k4z RC | 15816 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k4z
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 940
_Distance_constraint_stats_list.Viol_count 546
_Distance_constraint_stats_list.Viol_total 214.128
_Distance_constraint_stats_list.Viol_max 0.109
_Distance_constraint_stats_list.Viol_rms 0.0042
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0196
_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 22 MET 0.362 0.049 18 0 "[ . 1 . 2]"
1 23 PHE 0.872 0.078 3 0 "[ . 1 . 2]"
1 24 LYS 0.009 0.009 19 0 "[ . 1 . 2]"
1 25 LEU 0.423 0.060 16 0 "[ . 1 . 2]"
1 26 THR 0.248 0.109 4 0 "[ . 1 . 2]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ALA 0.196 0.109 4 0 "[ . 1 . 2]"
1 29 ALA 0.062 0.020 19 0 "[ . 1 . 2]"
1 30 ALA 0.231 0.060 10 0 "[ . 1 . 2]"
1 31 GLU 0.338 0.052 2 0 "[ . 1 . 2]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.052 0.018 12 0 "[ . 1 . 2]"
1 34 LEU 0.347 0.052 2 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ALA 0.003 0.003 2 0 "[ . 1 . 2]"
1 37 ALA 0.012 0.012 5 0 "[ . 1 . 2]"
1 38 LYS 0.179 0.060 18 0 "[ . 1 . 2]"
1 39 GLN 0.258 0.085 9 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.119 0.038 5 0 "[ . 1 . 2]"
1 42 THR 0.231 0.038 5 0 "[ . 1 . 2]"
1 43 GLU 0.012 0.012 5 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 MET 0.209 0.031 7 0 "[ . 1 . 2]"
1 46 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.333 0.037 12 0 "[ . 1 . 2]"
1 48 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LEU 0.222 0.060 16 0 "[ . 1 . 2]"
1 50 ALA 0.009 0.009 3 0 "[ . 1 . 2]"
1 51 ALA 0.074 0.031 9 0 "[ . 1 . 2]"
1 52 GLY 0.094 0.029 2 0 "[ . 1 . 2]"
1 53 ARG 0.271 0.067 14 0 "[ . 1 . 2]"
1 54 ASN 0.454 0.067 14 0 "[ . 1 . 2]"
1 55 PRO 0.083 0.063 11 0 "[ . 1 . 2]"
1 56 ASP 0.102 0.035 11 0 "[ . 1 . 2]"
1 57 GLY 0.279 0.063 11 0 "[ . 1 . 2]"
1 58 SER 0.151 0.051 3 0 "[ . 1 . 2]"
1 59 ILE 0.342 0.049 15 0 "[ . 1 . 2]"
1 60 ASP 0.144 0.037 19 0 "[ . 1 . 2]"
1 61 TYR 0.046 0.012 13 0 "[ . 1 . 2]"
1 62 ARG 0.009 0.009 3 0 "[ . 1 . 2]"
1 63 MET 1.020 0.078 3 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PHE 0.047 0.015 2 0 "[ . 1 . 2]"
1 66 ASP 0.034 0.021 5 0 "[ . 1 . 2]"
1 67 ASP 0.080 0.031 7 0 "[ . 1 . 2]"
1 68 LEU 0.183 0.035 18 0 "[ . 1 . 2]"
1 69 THR 0.155 0.029 6 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ASP 0.099 0.029 6 0 "[ . 1 . 2]"
1 72 ASP 0.254 0.035 18 0 "[ . 1 . 2]"
1 73 ILE 0.271 0.034 9 0 "[ . 1 . 2]"
1 74 ARG 0.082 0.021 9 0 "[ . 1 . 2]"
1 75 LEU 0.828 0.059 7 0 "[ . 1 . 2]"
1 76 THR 0.136 0.026 1 0 "[ . 1 . 2]"
1 77 SER 0.228 0.065 5 0 "[ . 1 . 2]"
1 78 GLU 0.811 0.076 7 0 "[ . 1 . 2]"
1 79 GLY 0.851 0.076 7 0 "[ . 1 . 2]"
1 80 VAL 0.343 0.042 13 0 "[ . 1 . 2]"
1 81 GLU 0.269 0.080 16 0 "[ . 1 . 2]"
1 82 ILE 0.477 0.040 19 0 "[ . 1 . 2]"
1 83 VAL 0.149 0.080 16 0 "[ . 1 . 2]"
1 84 ILE 0.382 0.037 12 0 "[ . 1 . 2]"
1 85 ALA 0.133 0.030 9 0 "[ . 1 . 2]"
1 86 PRO 0.026 0.009 14 0 "[ . 1 . 2]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 TYR 0.256 0.031 9 0 "[ . 1 . 2]"
1 89 VAL 0.341 0.034 9 0 "[ . 1 . 2]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LEU 0.192 0.038 17 0 "[ . 1 . 2]"
1 92 LEU 0.130 0.028 10 0 "[ . 1 . 2]"
1 93 ASP 0.133 0.036 10 0 "[ . 1 . 2]"
1 94 GLN 0.104 0.039 2 0 "[ . 1 . 2]"
1 95 THR 0.078 0.027 1 0 "[ . 1 . 2]"
1 96 THR 0.301 0.050 3 0 "[ . 1 . 2]"
1 97 LEU 0.375 0.044 19 0 "[ . 1 . 2]"
1 98 ASP 0.213 0.025 4 0 "[ . 1 . 2]"
1 99 TYR 0.016 0.016 16 0 "[ . 1 . 2]"
1 100 VAL 0.427 0.057 1 0 "[ . 1 . 2]"
1 101 GLU 0.037 0.021 9 0 "[ . 1 . 2]"
1 102 LEU 0.678 0.068 18 0 "[ . 1 . 2]"
1 103 GLU 0.235 0.033 3 0 "[ . 1 . 2]"
1 104 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLN 0.257 0.033 3 0 "[ . 1 . 2]"
1 107 PHE 0.044 0.023 4 0 "[ . 1 . 2]"
1 108 HIS 0.607 0.068 18 0 "[ . 1 . 2]"
1 109 PHE 0.269 0.044 19 0 "[ . 1 . 2]"
1 110 ILE 0.426 0.057 1 0 "[ . 1 . 2]"
1 111 PHE 0.035 0.017 13 0 "[ . 1 . 2]"
1 112 LEU 1.063 0.068 15 0 "[ . 1 . 2]"
1 113 ASN 0.787 0.068 15 0 "[ . 1 . 2]"
1 114 PRO 0.005 0.005 20 0 "[ . 1 . 2]"
1 115 ARG 0.068 0.042 17 0 "[ . 1 . 2]"
1 116 ASP 0.146 0.048 12 0 "[ . 1 . 2]"
1 117 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 THR 0.112 0.046 3 0 "[ . 1 . 2]"
1 119 TYR 0.141 0.046 3 0 "[ . 1 . 2]"
1 120 ARG 0.012 0.012 18 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 22 MET H 1 23 PHE H 1.800 . 5.000 3.227 2.321 4.279 . 0 0 "[ . 1 . 2]" 1
2 1 28 ALA H 1 29 ALA H 1.800 . 3.500 2.632 2.350 2.747 . 0 0 "[ . 1 . 2]" 1
3 1 29 ALA H 1 30 ALA H 1.800 . 3.500 2.503 2.258 2.733 . 0 0 "[ . 1 . 2]" 1
4 1 30 ALA H 1 31 GLU H 1.800 . 3.500 2.721 2.668 2.805 . 0 0 "[ . 1 . 2]" 1
5 1 31 GLU H 1 32 GLN H 1.800 . 3.500 2.621 2.512 2.799 . 0 0 "[ . 1 . 2]" 1
6 1 32 GLN H 1 33 VAL H 1.800 . 3.500 2.566 2.456 2.750 . 0 0 "[ . 1 . 2]" 1
7 1 33 VAL H 1 34 LEU H 1.800 . 5.000 2.651 2.562 2.765 . 0 0 "[ . 1 . 2]" 1
8 1 34 LEU H 1 35 LYS H 1.800 . 3.500 2.663 2.542 2.779 . 0 0 "[ . 1 . 2]" 1
9 1 35 LYS H 1 36 ALA H 1.800 . 3.500 2.694 2.599 2.871 . 0 0 "[ . 1 . 2]" 1
10 1 37 ALA H 1 38 LYS H 1.800 . 3.500 2.516 2.236 2.718 . 0 0 "[ . 1 . 2]" 1
11 1 38 LYS H 1 39 GLN H 1.800 . 3.500 2.596 2.336 2.798 . 0 0 "[ . 1 . 2]" 1
12 1 39 GLN H 1 40 GLY H 1.800 . 3.500 2.636 2.472 2.845 . 0 0 "[ . 1 . 2]" 1
13 1 40 GLY H 1 41 GLY H 1.800 . 5.000 3.480 2.198 4.413 . 0 0 "[ . 1 . 2]" 1
14 1 41 GLY H 1 42 THR H 1.800 . 3.500 2.982 2.271 3.538 0.038 5 0 "[ . 1 . 2]" 1
15 1 42 THR H 1 43 GLU H 1.800 . 3.500 2.629 2.400 2.950 . 0 0 "[ . 1 . 2]" 1
16 1 44 GLY H 1 45 MET H 1.800 . 5.000 2.566 1.942 3.119 . 0 0 "[ . 1 . 2]" 1
17 1 45 MET H 1 46 CYS H 1.800 . 5.000 4.452 4.168 4.594 . 0 0 "[ . 1 . 2]" 1
18 1 56 ASP H 1 57 GLY H 1.800 . 3.500 2.666 2.135 3.535 0.035 11 0 "[ . 1 . 2]" 1
19 1 57 GLY H 1 58 SER H 1.800 . 3.500 2.679 2.000 3.551 0.051 3 0 "[ . 1 . 2]" 1
20 1 66 ASP H 1 67 ASP H 1.800 . 5.000 4.307 4.255 4.387 . 0 0 "[ . 1 . 2]" 1
21 1 68 LEU H 1 69 THR H 1.800 . 5.000 4.296 3.973 4.541 . 0 0 "[ . 1 . 2]" 1
22 1 70 GLU H 1 71 ASP H 1.800 . 5.000 2.549 2.086 3.753 . 0 0 "[ . 1 . 2]" 1
23 1 71 ASP H 1 72 ASP H 1.800 . 3.500 2.273 1.791 2.589 0.009 8 0 "[ . 1 . 2]" 1
24 1 72 ASP H 1 73 ILE H 1.800 . 5.000 4.577 4.461 4.634 . 0 0 "[ . 1 . 2]" 1
25 1 77 SER H 1 78 GLU H 1.800 . 5.000 4.026 2.662 4.492 . 0 0 "[ . 1 . 2]" 1
26 1 78 GLU H 1 79 GLY H 1.800 . 3.500 3.100 1.994 3.576 0.076 7 0 "[ . 1 . 2]" 1
27 1 79 GLY H 1 80 VAL H 1.800 . 3.500 2.105 1.758 2.716 0.042 13 0 "[ . 1 . 2]" 1
28 1 87 ASP H 1 88 TYR H 1.800 . 3.500 2.671 2.308 2.862 . 0 0 "[ . 1 . 2]" 1
29 1 88 TYR H 1 89 VAL H 1.800 . 3.000 2.288 2.097 2.507 . 0 0 "[ . 1 . 2]" 1
30 1 89 VAL H 1 90 SER H 1.800 . 4.000 2.765 2.640 3.152 . 0 0 "[ . 1 . 2]" 1
31 1 90 SER H 1 91 LEU H 1.800 . 4.000 2.697 2.534 2.833 . 0 0 "[ . 1 . 2]" 1
32 1 91 LEU H 1 92 LEU H 1.800 . 3.000 2.098 1.888 2.404 . 0 0 "[ . 1 . 2]" 1
33 1 92 LEU H 1 93 ASP H 1.800 . 3.500 2.437 2.005 3.528 0.028 10 0 "[ . 1 . 2]" 1
34 1 93 ASP H 1 94 GLN H 1.800 . 5.000 4.461 3.160 4.610 . 0 0 "[ . 1 . 2]" 1
35 1 94 GLN H 1 95 THR H 1.800 . 3.500 2.727 2.501 3.508 0.008 8 0 "[ . 1 . 2]" 1
36 1 99 TYR H 1 100 VAL H 1.800 . 5.000 4.305 3.850 4.476 . 0 0 "[ . 1 . 2]" 1
37 1 101 GLU H 1 102 LEU H 1.800 . 5.000 4.041 3.787 4.233 . 0 0 "[ . 1 . 2]" 1
38 1 102 LEU H 1 103 GLU H 1.800 . 3.500 2.467 2.185 2.712 . 0 0 "[ . 1 . 2]" 1
39 1 105 GLY H 1 106 GLN H 1.800 . 3.500 2.549 2.301 2.891 . 0 0 "[ . 1 . 2]" 1
40 1 106 GLN H 1 107 PHE H 1.800 . 5.000 4.086 3.901 4.228 . 0 0 "[ . 1 . 2]" 1
41 1 107 PHE H 1 108 HIS H 1.800 . 5.000 4.415 4.162 4.603 . 0 0 "[ . 1 . 2]" 1
42 1 111 PHE H 1 112 LEU H 1.800 . 5.000 4.161 4.023 4.394 . 0 0 "[ . 1 . 2]" 1
43 1 112 LEU H 1 113 ASN H 1.800 . 5.000 3.947 2.736 4.421 . 0 0 "[ . 1 . 2]" 1
44 1 115 ARG H 1 116 ASP H 1.800 . 3.500 2.365 1.790 2.895 0.010 16 0 "[ . 1 . 2]" 1
45 1 118 THR H 1 119 TYR H 1.800 . 5.000 3.288 2.164 4.584 . 0 0 "[ . 1 . 2]" 1
46 1 119 TYR H 1 120 ARG H 1.800 . 5.000 3.643 2.216 4.490 . 0 0 "[ . 1 . 2]" 1
47 1 77 SER H 1 79 GLY H 1.800 . 5.500 4.019 3.183 4.688 . 0 0 "[ . 1 . 2]" 1
48 1 91 LEU H 1 93 ASP H 1.800 . 5.500 4.066 3.299 5.536 0.036 10 0 "[ . 1 . 2]" 1
49 1 22 MET HA 1 23 PHE H 1.800 . 3.500 2.687 2.149 3.251 . 0 0 "[ . 1 . 2]" 1
50 1 23 PHE HA 1 24 LYS H 1.800 . 2.900 2.156 2.136 2.206 . 0 0 "[ . 1 . 2]" 1
51 1 24 LYS HA 1 25 LEU H 1.800 . 3.500 2.177 2.112 2.286 . 0 0 "[ . 1 . 2]" 1
52 1 25 LEU HA 1 26 THR H 1.800 . 3.500 2.187 2.141 2.356 . 0 0 "[ . 1 . 2]" 1
53 1 42 THR HA 1 43 GLU H 1.800 . 3.500 3.092 2.891 3.420 . 0 0 "[ . 1 . 2]" 1
54 1 45 MET HA 1 46 CYS H 1.800 . 3.500 2.375 2.138 2.762 . 0 0 "[ . 1 . 2]" 1
55 1 46 CYS HA 1 47 LEU H 1.800 . 3.500 2.326 2.245 2.507 . 0 0 "[ . 1 . 2]" 1
56 1 47 LEU HA 1 48 ARG H 1.800 . 3.500 2.146 2.114 2.179 . 0 0 "[ . 1 . 2]" 1
57 1 49 LEU HA 1 50 ALA H 1.800 . 3.500 2.169 2.114 2.261 . 0 0 "[ . 1 . 2]" 1
58 1 53 ARG HA 1 54 ASN H 1.800 . 2.900 2.154 2.114 2.235 . 0 0 "[ . 1 . 2]" 1
59 1 56 ASP HA 1 57 GLY H 1.800 . 3.500 3.173 2.301 3.530 0.030 20 0 "[ . 1 . 2]" 1
60 1 59 ILE HA 1 60 ASP H 1.800 . 3.500 2.190 2.119 2.298 . 0 0 "[ . 1 . 2]" 1
61 1 60 ASP HA 1 61 TYR H 1.800 . 2.900 2.153 2.088 2.219 . 0 0 "[ . 1 . 2]" 1
62 1 61 TYR HA 1 62 ARG H 1.800 . 3.500 2.164 2.126 2.242 . 0 0 "[ . 1 . 2]" 1
63 1 62 ARG HA 1 63 MET H 1.800 . 2.900 2.166 2.104 2.265 . 0 0 "[ . 1 . 2]" 1
64 1 63 MET HA 1 64 GLY H 1.800 . 3.500 2.195 2.156 2.294 . 0 0 "[ . 1 . 2]" 1
65 1 65 PHE HA 1 66 ASP H 1.800 . 2.800 2.165 2.116 2.244 . 0 0 "[ . 1 . 2]" 1
66 1 66 ASP HA 1 67 ASP H 1.800 . 2.900 2.748 2.554 2.848 . 0 0 "[ . 1 . 2]" 1
67 1 67 ASP HA 1 68 LEU H 1.800 . 2.800 2.365 2.127 2.813 0.013 9 0 "[ . 1 . 2]" 1
68 1 68 LEU HA 1 69 THR H 1.800 . 3.500 2.167 2.119 2.282 . 0 0 "[ . 1 . 2]" 1
69 1 69 THR HA 1 70 GLU H 1.800 . 2.900 2.315 2.164 2.827 . 0 0 "[ . 1 . 2]" 1
70 1 72 ASP HA 1 73 ILE H 1.800 . 3.500 2.326 2.132 2.689 . 0 0 "[ . 1 . 2]" 1
71 1 73 ILE HA 1 74 ARG H 1.800 . 2.800 2.137 2.090 2.196 . 0 0 "[ . 1 . 2]" 1
72 1 74 ARG HA 1 75 LEU H 1.800 . 2.800 2.141 2.102 2.186 . 0 0 "[ . 1 . 2]" 1
73 1 75 LEU HA 1 76 THR H 1.800 . 2.800 2.217 2.119 2.459 . 0 0 "[ . 1 . 2]" 1
74 1 76 THR HA 1 77 SER H 1.800 . 2.800 2.157 2.115 2.221 . 0 0 "[ . 1 . 2]" 1
75 1 77 SER HA 1 78 GLU H 1.800 . 3.500 2.735 2.115 3.515 0.015 20 0 "[ . 1 . 2]" 1
76 1 78 GLU HA 1 79 GLY H 1.800 . 3.500 3.200 2.481 3.539 0.039 12 0 "[ . 1 . 2]" 1
77 1 80 VAL HA 1 81 GLU H 1.800 . 2.800 2.170 2.130 2.250 . 0 0 "[ . 1 . 2]" 1
78 1 81 GLU HA 1 82 ILE H 1.800 . 2.800 2.143 2.075 2.221 . 0 0 "[ . 1 . 2]" 1
79 1 82 ILE HA 1 83 VAL H 1.800 . 2.800 2.201 2.162 2.258 . 0 0 "[ . 1 . 2]" 1
80 1 83 VAL HA 1 84 ILE H 1.800 . 2.800 2.129 2.082 2.181 . 0 0 "[ . 1 . 2]" 1
81 1 95 THR HA 1 96 THR H 1.800 . 3.500 2.167 2.112 2.361 . 0 0 "[ . 1 . 2]" 1
82 1 96 THR HA 1 97 LEU H 1.800 . 3.500 2.176 2.123 2.278 . 0 0 "[ . 1 . 2]" 1
83 1 97 LEU HA 1 98 ASP H 1.800 . 2.800 2.128 2.105 2.177 . 0 0 "[ . 1 . 2]" 1
84 1 98 ASP HA 1 99 TYR H 1.800 . 3.500 2.417 2.283 2.528 . 0 0 "[ . 1 . 2]" 1
85 1 99 TYR HA 1 100 VAL H 1.800 . 2.900 2.156 2.116 2.274 . 0 0 "[ . 1 . 2]" 1
86 1 100 VAL HA 1 101 GLU H 1.800 . 2.900 2.328 2.169 2.630 . 0 0 "[ . 1 . 2]" 1
87 1 101 GLU HA 1 102 LEU H 1.800 . 3.500 2.236 2.126 2.352 . 0 0 "[ . 1 . 2]" 1
88 1 104 PRO HA 1 105 GLY H 1.800 . 3.500 2.167 2.139 2.196 . 0 0 "[ . 1 . 2]" 1
89 1 106 GLN HA 1 107 PHE H 1.800 . 2.900 2.159 2.111 2.240 . 0 0 "[ . 1 . 2]" 1
90 1 107 PHE HA 1 108 HIS H 1.800 . 2.900 2.154 2.081 2.244 . 0 0 "[ . 1 . 2]" 1
91 1 108 HIS HA 1 109 PHE H 1.800 . 2.900 2.186 2.112 2.294 . 0 0 "[ . 1 . 2]" 1
92 1 109 PHE HA 1 110 ILE H 1.800 . 2.800 2.161 2.134 2.208 . 0 0 "[ . 1 . 2]" 1
93 1 111 PHE HA 1 112 LEU H 1.800 . 2.900 2.163 2.117 2.224 . 0 0 "[ . 1 . 2]" 1
94 1 112 LEU HA 1 113 ASN H 1.800 . 3.500 2.328 2.093 3.526 0.026 7 0 "[ . 1 . 2]" 1
95 1 119 TYR HA 1 120 ARG H 1.800 . 3.500 2.591 2.078 3.512 0.012 18 0 "[ . 1 . 2]" 1
96 1 26 THR HA 1 28 ALA H 1.800 . 5.000 4.069 3.788 4.505 . 0 0 "[ . 1 . 2]" 1
97 1 40 GLY QA 1 42 THR H 1.800 . 5.500 3.800 2.897 4.803 . 0 0 "[ . 1 . 2]" 1
98 1 41 GLY QA 1 43 GLU H 1.800 . 5.500 3.513 3.092 3.896 . 0 0 "[ . 1 . 2]" 1
99 1 55 PRO HA 1 57 GLY H 1.800 . 5.000 4.184 3.433 5.063 0.063 11 0 "[ . 1 . 2]" 1
100 1 70 GLU HA 1 72 ASP H 1.800 . 5.000 3.745 3.299 4.162 . 0 0 "[ . 1 . 2]" 1
101 1 77 SER HA 1 79 GLY H 1.800 . 5.000 4.489 4.154 5.065 0.065 5 0 "[ . 1 . 2]" 1
102 1 78 GLU HA 1 80 VAL H 1.800 . 5.500 4.851 4.357 5.374 . 0 0 "[ . 1 . 2]" 1
103 1 86 PRO HA 1 88 TYR H 1.800 . 5.000 4.273 3.919 4.618 . 0 0 "[ . 1 . 2]" 1
104 1 101 GLU HA 1 103 GLU H 1.800 . 5.000 3.405 2.889 4.006 . 0 0 "[ . 1 . 2]" 1
105 1 104 PRO HA 1 106 GLN H 1.800 . 5.000 3.714 3.483 3.988 . 0 0 "[ . 1 . 2]" 1
106 1 114 PRO HA 1 116 ASP H 1.800 . 5.000 4.227 3.436 5.005 0.005 20 0 "[ . 1 . 2]" 1
107 1 27 PRO HA 1 30 ALA H 1.800 . 5.000 3.439 3.060 4.003 . 0 0 "[ . 1 . 2]" 1
108 1 28 ALA HA 1 31 GLU H 1.800 . 5.000 3.668 3.363 3.959 . 0 0 "[ . 1 . 2]" 1
109 1 29 ALA HA 1 32 GLN H 1.800 . 5.000 3.269 3.008 3.514 . 0 0 "[ . 1 . 2]" 1
110 1 30 ALA HA 1 33 VAL H 1.800 . 5.000 3.429 3.260 3.790 . 0 0 "[ . 1 . 2]" 1
111 1 31 GLU HA 1 34 LEU H 1.800 . 5.000 3.336 2.978 3.703 . 0 0 "[ . 1 . 2]" 1
112 1 32 GLN HA 1 35 LYS H 1.800 . 5.000 3.261 2.933 3.625 . 0 0 "[ . 1 . 2]" 1
113 1 33 VAL HA 1 36 ALA H 1.800 . 5.000 3.424 3.268 3.736 . 0 0 "[ . 1 . 2]" 1
114 1 34 LEU HA 1 37 ALA H 1.800 . 5.000 3.418 3.156 3.617 . 0 0 "[ . 1 . 2]" 1
115 1 35 LYS HA 1 38 LYS H 1.800 . 5.000 3.340 2.976 3.756 . 0 0 "[ . 1 . 2]" 1
116 1 36 ALA HA 1 39 GLN H 1.800 . 5.000 3.530 3.293 3.954 . 0 0 "[ . 1 . 2]" 1
117 1 42 THR HA 1 45 MET H 1.800 . 5.000 3.953 3.317 4.486 . 0 0 "[ . 1 . 2]" 1
118 1 86 PRO HA 1 89 VAL H 1.800 . 5.000 3.382 3.129 3.622 . 0 0 "[ . 1 . 2]" 1
119 1 89 VAL HA 1 92 LEU H 1.800 . 5.000 3.317 2.871 3.766 . 0 0 "[ . 1 . 2]" 1
120 1 27 PRO HA 1 31 GLU H 1.800 . 5.000 4.148 3.681 4.745 . 0 0 "[ . 1 . 2]" 1
121 1 31 GLU HA 1 35 LYS H 1.800 . 5.000 3.968 3.741 4.310 . 0 0 "[ . 1 . 2]" 1
122 1 34 LEU HA 1 38 LYS H 1.800 . 5.000 4.106 3.888 4.368 . 0 0 "[ . 1 . 2]" 1
123 1 35 LYS HA 1 39 GLN H 1.800 . 5.000 4.311 4.008 4.525 . 0 0 "[ . 1 . 2]" 1
124 1 76 THR HA 1 80 VAL H 1.800 . 5.500 5.202 4.732 5.524 0.024 7 0 "[ . 1 . 2]" 1
125 1 33 VAL HB 1 34 LEU H 1.800 . 5.000 2.520 2.430 2.622 . 0 0 "[ . 1 . 2]" 1
126 1 59 ILE HB 1 60 ASP H 1.800 . 5.000 4.128 3.770 4.416 . 0 0 "[ . 1 . 2]" 1
127 1 69 THR HB 1 70 GLU H 1.800 . 5.000 3.349 1.887 4.141 . 0 0 "[ . 1 . 2]" 1
128 1 73 ILE HB 1 74 ARG H 1.800 . 5.000 4.256 4.079 4.406 . 0 0 "[ . 1 . 2]" 1
129 1 76 THR HB 1 77 SER H 1.800 . 5.000 4.288 4.052 4.419 . 0 0 "[ . 1 . 2]" 1
130 1 82 ILE HB 1 83 VAL H 1.800 . 5.000 4.066 3.893 4.333 . 0 0 "[ . 1 . 2]" 1
131 1 83 VAL HB 1 84 ILE H 1.800 . 5.000 3.343 3.017 3.574 . 0 0 "[ . 1 . 2]" 1
132 1 89 VAL HB 1 90 SER H 1.800 . 5.000 3.060 2.558 4.107 . 0 0 "[ . 1 . 2]" 1
133 1 95 THR HB 1 96 THR H 1.800 . 5.000 3.958 2.426 4.368 . 0 0 "[ . 1 . 2]" 1
134 1 100 VAL HB 1 101 GLU H 1.800 . 5.000 2.586 1.970 2.971 . 0 0 "[ . 1 . 2]" 1
135 1 110 ILE HB 1 111 PHE H 1.800 . 5.000 3.074 2.747 4.205 . 0 0 "[ . 1 . 2]" 1
136 1 118 THR HB 1 119 TYR H 1.800 . 3.500 3.012 2.152 3.546 0.046 3 0 "[ . 1 . 2]" 1
137 1 22 MET QG 1 23 PHE H 1.800 . 5.000 4.438 3.520 4.823 . 0 0 "[ . 1 . 2]" 1
138 1 24 LYS QG 1 25 LEU H 1.800 . 5.500 3.817 2.561 4.494 . 0 0 "[ . 1 . 2]" 1
139 1 25 LEU MD2 1 26 THR H 1.800 . 5.500 2.858 1.972 4.701 . 0 0 "[ . 1 . 2]" 1
140 1 25 LEU HG 1 26 THR H 1.800 . 5.000 3.948 2.989 5.025 0.025 16 0 "[ . 1 . 2]" 1
141 1 27 PRO QD 1 28 ALA H 1.800 . 5.000 2.862 2.577 3.200 . 0 0 "[ . 1 . 2]" 1
142 1 27 PRO QG 1 28 ALA H 1.800 . 5.500 3.426 2.466 4.036 . 0 0 "[ . 1 . 2]" 1
143 1 31 GLU QG 1 32 GLN H 1.800 . 5.000 3.941 3.459 4.529 . 0 0 "[ . 1 . 2]" 1
144 1 33 VAL MG1 1 34 LEU H 1.800 . 5.500 3.424 3.308 3.540 . 0 0 "[ . 1 . 2]" 1
145 1 33 VAL MG2 1 34 LEU H 1.800 . 5.500 3.750 3.691 3.845 . 0 0 "[ . 1 . 2]" 1
146 1 34 LEU MD1 1 35 LYS H 1.800 . 5.500 4.531 4.306 4.678 . 0 0 "[ . 1 . 2]" 1
147 1 38 LYS QD 1 39 GLN H 1.800 . 5.500 4.817 4.347 5.163 . 0 0 "[ . 1 . 2]" 1
148 1 38 LYS QG 1 39 GLN H 1.800 . 5.000 3.955 3.547 4.206 . 0 0 "[ . 1 . 2]" 1
149 1 38 LYS HG2 1 39 GLN H 1.800 . 5.000 4.378 3.664 5.060 0.060 18 0 "[ . 1 . 2]" 1
150 1 42 THR MG 1 43 GLU H 1.800 . 5.500 4.339 4.231 4.393 . 0 0 "[ . 1 . 2]" 1
151 1 45 MET ME 1 46 CYS H 1.800 . 5.500 4.018 2.853 5.227 . 0 0 "[ . 1 . 2]" 1
152 1 45 MET QG 1 46 CYS H 1.800 . 5.500 4.004 2.514 4.696 . 0 0 "[ . 1 . 2]" 1
153 1 47 LEU MD1 1 48 ARG H 1.800 . 5.500 2.795 2.490 3.180 . 0 0 "[ . 1 . 2]" 1
154 1 47 LEU HG 1 48 ARG H 1.800 . 5.000 3.425 2.969 3.760 . 0 0 "[ . 1 . 2]" 1
155 1 49 LEU MD2 1 50 ALA H 1.800 . 5.500 3.556 3.296 3.830 . 0 0 "[ . 1 . 2]" 1
156 1 53 ARG QD 1 54 ASN H 1.800 . 5.500 5.169 4.461 5.567 0.067 14 0 "[ . 1 . 2]" 1
157 1 53 ARG QG 1 54 ASN H 1.800 . 5.500 3.794 2.754 4.319 . 0 0 "[ . 1 . 2]" 1
158 1 55 PRO QD 1 56 ASP H 1.800 . 5.500 3.502 2.632 4.932 . 0 0 "[ . 1 . 2]" 1
159 1 59 ILE MD 1 60 ASP H 1.800 . 5.500 5.154 4.790 5.519 0.019 3 0 "[ . 1 . 2]" 1
160 1 59 ILE QG 1 60 ASP H 1.800 . 5.000 4.230 4.041 4.432 . 0 0 "[ . 1 . 2]" 1
161 1 59 ILE MG 1 60 ASP H 1.800 . 5.500 2.695 2.121 3.370 . 0 0 "[ . 1 . 2]" 1
162 1 62 ARG QG 1 63 MET H 1.800 . 5.500 3.687 2.586 4.459 . 0 0 "[ . 1 . 2]" 1
163 1 65 PHE QD 1 66 ASP H 1.800 . 5.500 4.060 3.700 4.351 . 0 0 "[ . 1 . 2]" 1
164 1 68 LEU MD1 1 69 THR H 1.800 . 5.500 4.923 4.450 5.239 . 0 0 "[ . 1 . 2]" 1
165 1 68 LEU MD2 1 69 THR H 1.800 . 5.500 3.012 2.504 3.431 . 0 0 "[ . 1 . 2]" 1
166 1 68 LEU HG 1 69 THR H 1.800 . 5.000 3.882 3.034 5.017 0.017 19 0 "[ . 1 . 2]" 1
167 1 69 THR MG 1 70 GLU H 1.800 . 5.500 2.977 2.357 3.985 . 0 0 "[ . 1 . 2]" 1
168 1 70 GLU QG 1 71 ASP H 1.800 . 5.500 4.286 4.098 4.499 . 0 0 "[ . 1 . 2]" 1
169 1 73 ILE MD 1 74 ARG H 1.800 . 5.500 5.068 3.764 5.338 . 0 0 "[ . 1 . 2]" 1
170 1 73 ILE QG 1 74 ARG H 1.800 . 5.500 4.169 4.001 4.748 . 0 0 "[ . 1 . 2]" 1
171 1 73 ILE MG 1 74 ARG H 1.800 . 5.500 2.815 2.480 3.150 . 0 0 "[ . 1 . 2]" 1
172 1 74 ARG QG 1 75 LEU H 1.800 . 5.500 3.907 2.702 4.735 . 0 0 "[ . 1 . 2]" 1
173 1 75 LEU MD1 1 76 THR H 1.800 . 5.500 4.241 2.210 5.480 . 0 0 "[ . 1 . 2]" 1
174 1 75 LEU MD2 1 76 THR H 1.800 . 5.500 4.185 3.043 5.096 . 0 0 "[ . 1 . 2]" 1
175 1 76 THR MG 1 77 SER H 1.800 . 5.500 3.076 2.704 3.403 . 0 0 "[ . 1 . 2]" 1
176 1 80 VAL MG1 1 81 GLU H 1.800 . 5.500 2.632 2.290 3.022 . 0 0 "[ . 1 . 2]" 1
177 1 80 VAL MG2 1 81 GLU H 1.800 . 5.500 4.059 3.954 4.217 . 0 0 "[ . 1 . 2]" 1
178 1 81 GLU QG 1 82 ILE H 1.800 . 5.000 2.910 2.457 4.209 . 0 0 "[ . 1 . 2]" 1
179 1 82 ILE MG 1 83 VAL H 1.800 . 5.500 2.588 2.302 3.126 . 0 0 "[ . 1 . 2]" 1
180 1 83 VAL MG1 1 84 ILE H 1.800 . 5.500 3.798 3.612 3.913 . 0 0 "[ . 1 . 2]" 1
181 1 83 VAL MG2 1 84 ILE H 1.800 . 5.500 4.146 3.994 4.256 . 0 0 "[ . 1 . 2]" 1
182 1 84 ILE MG 1 85 ALA H 1.800 . 5.500 2.868 2.430 3.277 . 0 0 "[ . 1 . 2]" 1
183 1 86 PRO QD 1 87 ASP H 1.800 . 5.000 2.964 2.768 3.174 . 0 0 "[ . 1 . 2]" 1
184 1 86 PRO HD2 1 87 ASP H 1.800 . 5.000 3.038 2.828 3.286 . 0 0 "[ . 1 . 2]" 1
185 1 86 PRO QG 1 87 ASP H 1.800 . 5.500 3.694 2.619 4.018 . 0 0 "[ . 1 . 2]" 1
186 1 89 VAL MG1 1 90 SER H 1.800 . 5.500 3.296 2.339 3.766 . 0 0 "[ . 1 . 2]" 1
187 1 89 VAL MG2 1 90 SER H 1.800 . 5.500 3.953 3.820 4.176 . 0 0 "[ . 1 . 2]" 1
188 1 94 GLN QG 1 95 THR H 1.800 . 5.000 4.468 4.084 4.758 . 0 0 "[ . 1 . 2]" 1
189 1 95 THR MG 1 96 THR H 1.800 . 5.500 3.012 2.381 3.926 . 0 0 "[ . 1 . 2]" 1
190 1 96 THR MG 1 97 LEU H 1.800 . 5.500 2.767 2.289 3.238 . 0 0 "[ . 1 . 2]" 1
191 1 97 LEU MD1 1 98 ASP H 1.800 . 5.000 2.662 2.226 4.696 . 0 0 "[ . 1 . 2]" 1
192 1 97 LEU HG 1 98 ASP H 1.800 . 5.000 3.341 2.947 3.724 . 0 0 "[ . 1 . 2]" 1
193 1 100 VAL MG1 1 101 GLU H 1.800 . 5.500 3.695 3.455 3.852 . 0 0 "[ . 1 . 2]" 1
194 1 100 VAL MG2 1 101 GLU H 1.800 . 5.500 3.570 2.947 3.887 . 0 0 "[ . 1 . 2]" 1
195 1 101 GLU QG 1 102 LEU H 1.800 . 5.000 3.855 3.245 4.631 . 0 0 "[ . 1 . 2]" 1
196 1 102 LEU MD1 1 103 GLU H 1.800 . 5.500 4.603 4.162 4.868 . 0 0 "[ . 1 . 2]" 1
197 1 102 LEU MD2 1 103 GLU H 1.800 . 5.500 4.580 4.040 4.685 . 0 0 "[ . 1 . 2]" 1
198 1 106 GLN QG 1 107 PHE H 1.800 . 5.000 3.913 3.089 4.735 . 0 0 "[ . 1 . 2]" 1
199 1 107 PHE QD 1 108 HIS H 1.800 . 5.500 4.113 3.306 4.502 . 0 0 "[ . 1 . 2]" 1
200 1 109 PHE QD 1 110 ILE H 1.800 . 5.500 4.101 3.810 4.434 . 0 0 "[ . 1 . 2]" 1
201 1 110 ILE MD 1 111 PHE H 1.800 . 5.500 4.794 4.517 5.106 . 0 0 "[ . 1 . 2]" 1
202 1 110 ILE MG 1 111 PHE H 1.800 . 5.500 3.808 3.705 4.114 . 0 0 "[ . 1 . 2]" 1
203 1 112 LEU MD2 1 113 ASN H 1.800 . 5.500 3.979 3.051 5.172 . 0 0 "[ . 1 . 2]" 1
204 1 112 LEU HG 1 113 ASN H 1.800 . 5.000 4.768 3.773 5.068 0.068 15 0 "[ . 1 . 2]" 1
205 1 114 PRO QG 1 115 ARG H 1.800 . 5.500 3.820 2.729 4.867 . 0 0 "[ . 1 . 2]" 1
206 1 117 PRO QD 1 118 THR H 1.800 . 5.500 4.097 2.707 4.935 . 0 0 "[ . 1 . 2]" 1
207 1 118 THR MG 1 119 TYR H 1.800 . 5.500 3.450 1.949 4.081 . 0 0 "[ . 1 . 2]" 1
208 1 119 TYR QD 1 120 ARG H 1.800 . 5.500 4.174 2.965 4.954 . 0 0 "[ . 1 . 2]" 1
209 1 26 THR HB 1 28 ALA H 1.800 . 3.500 2.789 2.454 3.244 . 0 0 "[ . 1 . 2]" 1
210 1 28 ALA MB 1 30 ALA H 1.800 . 5.500 4.410 4.272 4.710 . 0 0 "[ . 1 . 2]" 1
211 1 29 ALA MB 1 31 GLU H 1.800 . 5.500 4.528 4.413 4.673 . 0 0 "[ . 1 . 2]" 1
212 1 36 ALA MB 1 38 LYS H 1.800 . 5.500 4.447 4.180 4.659 . 0 0 "[ . 1 . 2]" 1
213 1 37 ALA MB 1 39 GLN H 1.800 . 5.500 4.432 4.291 4.594 . 0 0 "[ . 1 . 2]" 1
214 1 69 THR HB 1 71 ASP H 1.800 . 5.000 3.129 2.315 4.314 . 0 0 "[ . 1 . 2]" 1
215 1 78 GLU QB 1 80 VAL H 1.800 . 5.500 4.094 3.020 4.916 . 0 0 "[ . 1 . 2]" 1
216 1 85 ALA MB 1 87 ASP H 1.800 . 5.000 2.813 2.511 3.069 . 0 0 "[ . 1 . 2]" 1
217 1 98 ASP QB 1 100 VAL H 1.800 . 5.500 5.141 4.264 5.510 0.010 3 0 "[ . 1 . 2]" 1
218 1 100 VAL HB 1 102 LEU H 1.800 . 5.000 4.620 4.036 5.031 0.031 19 0 "[ . 1 . 2]" 1
219 1 26 THR HG1 1 28 ALA H 1.800 . 5.000 4.417 3.600 5.109 0.109 4 0 "[ . 1 . 2]" 1
220 1 26 THR MG 1 28 ALA H 1.800 . 5.500 4.088 1.788 4.768 0.012 19 0 "[ . 1 . 2]" 1
221 1 69 THR MG 1 71 ASP H 1.800 . 5.500 2.944 1.771 4.430 0.029 6 0 "[ . 1 . 2]" 1
222 1 96 THR MG 1 98 ASP H 1.800 . 5.500 4.277 3.793 4.740 . 0 0 "[ . 1 . 2]" 1
223 1 101 GLU QG 1 103 GLU H 1.800 . 5.500 3.593 2.559 4.810 . 0 0 "[ . 1 . 2]" 1
224 1 26 THR HB 1 29 ALA H 1.800 . 5.000 3.271 2.573 3.811 . 0 0 "[ . 1 . 2]" 1
225 1 36 ALA MB 1 39 GLN H 1.800 . 5.500 4.605 4.438 4.988 . 0 0 "[ . 1 . 2]" 1
226 1 42 THR HB 1 45 MET H 1.800 . 5.000 4.334 3.721 4.906 . 0 0 "[ . 1 . 2]" 1
227 1 77 SER QB 1 80 VAL H 1.800 . 5.500 3.643 2.341 5.143 . 0 0 "[ . 1 . 2]" 1
228 1 85 ALA MB 1 88 TYR H 1.800 . 5.500 3.009 2.520 3.349 . 0 0 "[ . 1 . 2]" 1
229 1 26 THR HG1 1 29 ALA H 1.800 . 5.000 3.345 2.404 5.020 0.020 19 0 "[ . 1 . 2]" 1
230 1 26 THR MG 1 29 ALA H 1.800 . 5.500 4.213 3.202 4.631 . 0 0 "[ . 1 . 2]" 1
231 1 42 THR MG 1 45 MET H 1.800 . 5.500 5.007 3.479 5.489 . 0 0 "[ . 1 . 2]" 1
232 1 76 THR MG 1 79 GLY H 1.800 . 5.000 3.985 2.526 5.026 0.026 1 0 "[ . 1 . 2]" 1
233 1 113 ASN QD 1 116 ASP H 1.800 . 5.500 3.963 2.093 5.548 0.048 12 0 "[ . 1 . 2]" 1
234 1 54 ASN QB 1 58 SER H 1.800 . 5.500 2.715 1.812 5.154 . 0 0 "[ . 1 . 2]" 1
235 1 32 GLN QG 1 36 ALA H 1.800 . 5.500 4.339 3.906 4.837 . 0 0 "[ . 1 . 2]" 1
236 1 35 LYS QG 1 39 GLN H 1.800 . 5.500 4.484 3.928 4.730 . 0 0 "[ . 1 . 2]" 1
237 1 54 ASN QD 1 58 SER H 1.800 . 5.500 4.121 2.370 5.539 0.039 3 0 "[ . 1 . 2]" 1
238 1 68 LEU MD2 1 72 ASP H 1.800 . 5.500 5.014 4.223 5.530 0.030 9 0 "[ . 1 . 2]" 1
239 1 76 THR MG 1 80 VAL H 1.800 . 5.000 4.372 3.568 4.982 . 0 0 "[ . 1 . 2]" 1
240 1 84 ILE MG 1 88 TYR H 1.800 . 5.500 3.575 3.233 3.874 . 0 0 "[ . 1 . 2]" 1
241 1 89 VAL MG1 1 93 ASP H 1.800 . 5.500 4.782 3.705 5.530 0.030 4 0 "[ . 1 . 2]" 1
242 1 101 GLU QG 1 105 GLY H 1.800 . 5.000 2.948 2.506 4.382 . 0 0 "[ . 1 . 2]" 1
243 1 27 PRO HA 1 30 ALA MB 1.800 . 5.000 2.358 2.022 3.006 . 0 0 "[ . 1 . 2]" 1
244 1 28 ALA HA 1 31 GLU QB 1.800 . 5.500 3.138 2.640 3.563 . 0 0 "[ . 1 . 2]" 1
245 1 29 ALA HA 1 32 GLN QB 1.800 . 5.500 2.785 2.299 3.265 . 0 0 "[ . 1 . 2]" 1
246 1 30 ALA HA 1 33 VAL HB 1.800 . 5.000 2.825 2.522 3.337 . 0 0 "[ . 1 . 2]" 1
247 1 31 GLU HA 1 34 LEU QB 1.800 . 5.000 2.390 2.065 2.931 . 0 0 "[ . 1 . 2]" 1
248 1 32 GLN HA 1 35 LYS QB 1.800 . 3.500 2.460 2.001 2.928 . 0 0 "[ . 1 . 2]" 1
249 1 33 VAL HA 1 36 ALA MB 1.800 . 5.000 2.826 2.496 3.354 . 0 0 "[ . 1 . 2]" 1
250 1 34 LEU HA 1 37 ALA MB 1.800 . 5.000 2.698 2.472 3.030 . 0 0 "[ . 1 . 2]" 1
251 1 35 LYS HA 1 38 LYS QB 1.800 . 5.000 2.446 2.067 3.149 . 0 0 "[ . 1 . 2]" 1
252 1 36 ALA HA 1 39 GLN QB 1.800 . 5.000 3.217 2.406 4.237 . 0 0 "[ . 1 . 2]" 1
253 1 42 THR HA 1 45 MET QB 1.800 . 5.000 3.189 2.428 4.711 . 0 0 "[ . 1 . 2]" 1
254 1 86 PRO HA 1 89 VAL HB 1.800 . 5.000 2.816 2.169 3.365 . 0 0 "[ . 1 . 2]" 1
255 1 89 VAL HA 1 92 LEU QB 1.800 . 5.500 2.637 2.217 3.126 . 0 0 "[ . 1 . 2]" 1
256 1 90 SER HA 1 93 ASP QB 1.800 . 5.500 4.171 2.835 5.149 . 0 0 "[ . 1 . 2]" 1
257 1 30 ALA HA 1 33 VAL MG1 1.800 . 5.500 4.149 3.823 4.667 . 0 0 "[ . 1 . 2]" 1
258 1 30 ALA HA 1 33 VAL MG2 1.800 . 5.500 2.858 2.482 3.542 . 0 0 "[ . 1 . 2]" 1
259 1 31 GLU HA 1 34 LEU MD1 1.800 . 5.000 4.641 3.033 5.000 . 0 0 "[ . 1 . 2]" 1
260 1 32 GLN HA 1 35 LYS QD 1.800 . 5.500 3.431 2.824 4.665 . 0 0 "[ . 1 . 2]" 1
261 1 35 LYS HA 1 38 LYS QD 1.800 . 5.000 3.227 1.852 4.844 . 0 0 "[ . 1 . 2]" 1
262 1 42 THR HA 1 45 MET QG 1.800 . 5.500 2.994 1.832 4.358 . 0 0 "[ . 1 . 2]" 1
263 1 86 PRO HA 1 89 VAL MG1 1.800 . 5.500 3.396 1.873 3.982 . 0 0 "[ . 1 . 2]" 1
264 1 86 PRO HA 1 89 VAL MG2 1.800 . 5.000 2.473 1.791 4.165 0.009 14 0 "[ . 1 . 2]" 1
265 1 88 TYR HA 1 91 LEU MD1 1.800 . 5.000 3.719 2.653 4.661 . 0 0 "[ . 1 . 2]" 1
266 1 24 LYS H 1 97 LEU H 1.800 . 5.000 3.731 3.492 4.110 . 0 0 "[ . 1 . 2]" 1
267 1 26 THR H 1 97 LEU H 1.800 . 5.500 3.962 3.485 4.235 . 0 0 "[ . 1 . 2]" 1
268 1 26 THR H 1 29 ALA H 1.800 . 5.000 4.257 3.677 4.660 . 0 0 "[ . 1 . 2]" 1
269 1 29 ALA H 1 99 TYR H 1.800 . 5.500 4.531 3.641 4.966 . 0 0 "[ . 1 . 2]" 1
270 1 46 CYS H 1 66 ASP H 1.800 . 5.000 3.430 2.940 4.292 . 0 0 "[ . 1 . 2]" 1
271 1 47 LEU H 1 83 VAL H 1.800 . 5.000 4.061 3.622 4.498 . 0 0 "[ . 1 . 2]" 1
272 1 48 ARG H 1 64 GLY H 1.800 . 5.000 3.518 3.249 3.887 . 0 0 "[ . 1 . 2]" 1
273 1 50 ALA H 1 62 ARG H 1.800 . 5.000 3.241 2.885 3.662 . 0 0 "[ . 1 . 2]" 1
274 1 52 GLY H 1 60 ASP H 1.800 . 5.000 3.198 2.780 3.751 . 0 0 "[ . 1 . 2]" 1
275 1 54 ASN H 1 57 GLY H 1.800 . 5.000 4.553 3.874 5.015 0.015 5 0 "[ . 1 . 2]" 1
276 1 54 ASN H 1 58 SER H 1.800 . 5.000 3.849 3.251 4.635 . 0 0 "[ . 1 . 2]" 1
277 1 54 ASN H 1 59 ILE H 1.800 . 5.000 4.656 4.000 5.049 0.049 15 0 "[ . 1 . 2]" 1
278 1 54 ASN H 1 60 ASP H 1.800 . 5.000 3.658 2.937 4.284 . 0 0 "[ . 1 . 2]" 1
279 1 69 THR H 1 72 ASP H 1.800 . 5.000 4.518 3.959 5.025 0.025 3 0 "[ . 1 . 2]" 1
280 1 73 ILE H 1 84 ILE H 1.800 . 5.000 3.151 2.765 4.019 . 0 0 "[ . 1 . 2]" 1
281 1 75 LEU H 1 82 ILE H 1.800 . 5.000 3.117 2.596 3.455 . 0 0 "[ . 1 . 2]" 1
282 1 77 SER H 1 80 VAL H 1.800 . 4.000 3.729 3.067 4.019 0.019 13 0 "[ . 1 . 2]" 1
283 1 77 SER H 1 82 ILE H 1.800 . 5.000 4.053 3.660 4.772 . 0 0 "[ . 1 . 2]" 1
284 1 96 THR H 1 112 LEU H 1.800 . 5.000 3.331 2.630 3.882 . 0 0 "[ . 1 . 2]" 1
285 1 98 ASP H 1 110 ILE H 1.800 . 5.000 3.126 2.855 3.472 . 0 0 "[ . 1 . 2]" 1
286 1 98 ASP H 1 112 LEU H 1.800 . 5.000 4.194 3.234 4.860 . 0 0 "[ . 1 . 2]" 1
287 1 100 VAL H 1 108 HIS H 1.800 . 5.000 3.292 2.843 4.209 . 0 0 "[ . 1 . 2]" 1
288 1 100 VAL H 1 110 ILE H 1.800 . 5.000 3.969 3.650 4.204 . 0 0 "[ . 1 . 2]" 1
289 1 102 LEU H 1 108 HIS H 1.800 . 5.000 3.215 2.622 3.885 . 0 0 "[ . 1 . 2]" 1
290 1 103 GLU H 1 106 GLN H 1.800 . 5.000 3.978 3.699 4.374 . 0 0 "[ . 1 . 2]" 1
291 1 23 PHE HA 1 95 THR H 1.800 . 5.000 3.045 2.448 3.621 . 0 0 "[ . 1 . 2]" 1
292 1 25 LEU HA 1 97 LEU H 1.800 . 5.000 2.992 2.391 3.597 . 0 0 "[ . 1 . 2]" 1
293 1 37 ALA HA 1 42 THR H 1.800 . 5.000 3.430 2.349 4.145 . 0 0 "[ . 1 . 2]" 1
294 1 48 ARG HA 1 83 VAL H 1.800 . 5.000 2.947 2.682 3.450 . 0 0 "[ . 1 . 2]" 1
295 1 49 LEU HA 1 64 GLY H 1.800 . 5.000 3.428 2.933 3.830 . 0 0 "[ . 1 . 2]" 1
296 1 51 ALA HA 1 62 ARG H 1.800 . 5.000 3.282 2.396 3.743 . 0 0 "[ . 1 . 2]" 1
297 1 74 ARG HA 1 82 ILE H 1.800 . 5.000 4.670 4.236 5.015 0.015 16 0 "[ . 1 . 2]" 1
298 1 76 THR HA 1 82 ILE H 1.800 . 5.000 3.187 2.814 3.714 . 0 0 "[ . 1 . 2]" 1
299 1 99 TYR HA 1 110 ILE H 1.800 . 5.000 3.089 2.621 3.845 . 0 0 "[ . 1 . 2]" 1
300 1 101 GLU HA 1 108 HIS H 1.800 . 5.000 2.961 2.242 3.540 . 0 0 "[ . 1 . 2]" 1
301 1 24 LYS H 1 96 THR HA 1.800 . 3.500 2.658 2.365 3.103 . 0 0 "[ . 1 . 2]" 1
302 1 26 THR H 1 98 ASP HA 1.800 . 5.000 3.626 3.119 4.186 . 0 0 "[ . 1 . 2]" 1
303 1 29 ALA H 1 98 ASP HA 1.800 . 5.000 4.407 3.670 5.008 0.008 12 0 "[ . 1 . 2]" 1
304 1 47 LEU H 1 82 ILE HA 1.800 . 5.000 3.331 2.861 4.033 . 0 0 "[ . 1 . 2]" 1
305 1 48 ARG H 1 65 PHE HA 1.800 . 5.000 2.830 2.220 3.184 . 0 0 "[ . 1 . 2]" 1
306 1 50 ALA H 1 63 MET HA 1.800 . 5.000 3.542 2.988 4.067 . 0 0 "[ . 1 . 2]" 1
307 1 51 ALA H 1 88 TYR HA 1.800 . 5.000 4.122 3.110 5.031 0.031 9 0 "[ . 1 . 2]" 1
308 1 52 GLY H 1 59 ILE HA 1.800 . 5.000 4.837 4.215 5.029 0.029 2 0 "[ . 1 . 2]" 1
309 1 54 ASN H 1 59 ILE HA 1.800 . 5.000 2.974 1.831 4.731 . 0 0 "[ . 1 . 2]" 1
310 1 73 ILE H 1 85 ALA HA 1.800 . 5.000 3.196 2.572 3.865 . 0 0 "[ . 1 . 2]" 1
311 1 75 LEU H 1 81 GLU HA 1.800 . 5.000 4.828 4.327 5.044 0.044 3 0 "[ . 1 . 2]" 1
312 1 77 SER H 1 81 GLU HA 1.800 . 5.000 3.277 2.380 4.058 . 0 0 "[ . 1 . 2]" 1
313 1 96 THR H 1 111 PHE HA 1.800 . 5.000 4.508 3.883 5.011 0.011 6 0 "[ . 1 . 2]" 1
314 1 96 THR H 1 113 ASN HA 1.800 . 5.000 3.760 2.451 5.011 0.011 9 0 "[ . 1 . 2]" 1
315 1 98 ASP H 1 111 PHE HA 1.800 . 5.000 3.957 3.557 4.323 . 0 0 "[ . 1 . 2]" 1
316 1 100 VAL H 1 109 PHE HA 1.800 . 5.000 3.619 3.158 4.303 . 0 0 "[ . 1 . 2]" 1
317 1 102 LEU H 1 107 PHE HA 1.800 . 5.000 3.801 3.077 4.333 . 0 0 "[ . 1 . 2]" 1
318 1 47 LEU HA 1 65 PHE HA 1.800 . 5.000 2.447 2.071 2.758 . 0 0 "[ . 1 . 2]" 1
319 1 49 LEU HA 1 63 MET HA 1.800 . 5.000 2.705 2.494 2.869 . 0 0 "[ . 1 . 2]" 1
320 1 95 THR HA 1 113 ASN HA 1.800 . 5.000 3.145 1.883 4.547 . 0 0 "[ . 1 . 2]" 1
321 1 99 TYR HA 1 109 PHE HA 1.800 . 5.000 2.354 1.874 3.635 . 0 0 "[ . 1 . 2]" 1
322 1 22 MET QB 1 94 GLN H 1.800 . 5.500 2.546 1.789 5.110 0.011 20 0 "[ . 1 . 2]" 1
323 1 23 PHE QD 1 95 THR H 1.800 . 5.500 3.583 3.211 4.142 . 0 0 "[ . 1 . 2]" 1
324 1 24 LYS QG 1 97 LEU H 1.800 . 5.500 4.847 3.865 5.343 . 0 0 "[ . 1 . 2]" 1
325 1 25 LEU QB 1 30 ALA H 1.800 . 5.500 4.735 2.667 5.496 . 0 0 "[ . 1 . 2]" 1
326 1 25 LEU MD1 1 77 SER H 1.800 . 5.500 4.768 4.058 5.486 . 0 0 "[ . 1 . 2]" 1
327 1 25 LEU MD1 1 80 VAL H 1.800 . 5.500 4.568 3.186 5.402 . 0 0 "[ . 1 . 2]" 1
328 1 25 LEU MD1 1 30 ALA H 1.800 . 5.500 4.586 3.139 5.560 0.060 10 0 "[ . 1 . 2]" 1
329 1 25 LEU MD2 1 31 GLU H 1.800 . 5.500 4.670 4.418 5.520 0.020 16 0 "[ . 1 . 2]" 1
330 1 25 LEU MD2 1 33 VAL H 1.800 . 5.500 4.735 4.235 5.139 . 0 0 "[ . 1 . 2]" 1
331 1 25 LEU MD2 1 30 ALA H 1.800 . 5.000 2.743 2.396 3.809 . 0 0 "[ . 1 . 2]" 1
332 1 26 THR HG1 1 99 TYR H 1.800 . 5.000 3.396 2.188 4.560 . 0 0 "[ . 1 . 2]" 1
333 1 26 THR MG 1 99 TYR H 1.800 . 5.000 4.405 3.206 4.993 . 0 0 "[ . 1 . 2]" 1
334 1 28 ALA MB 1 99 TYR H 1.800 . 5.500 4.166 2.785 5.071 . 0 0 "[ . 1 . 2]" 1
335 1 29 ALA MB 1 99 TYR H 1.800 . 5.500 2.890 2.465 3.713 . 0 0 "[ . 1 . 2]" 1
336 1 30 ALA MB 1 80 VAL H 1.800 . 5.500 3.737 2.875 4.735 . 0 0 "[ . 1 . 2]" 1
337 1 37 ALA MB 1 42 THR H 1.800 . 5.500 4.423 3.561 5.324 . 0 0 "[ . 1 . 2]" 1
338 1 37 ALA MB 1 43 GLU H 1.800 . 5.500 3.995 3.393 4.639 . 0 0 "[ . 1 . 2]" 1
339 1 42 THR MG 1 65 PHE H 1.800 . 5.500 4.309 3.560 5.154 . 0 0 "[ . 1 . 2]" 1
340 1 45 MET QB 1 66 ASP H 1.800 . 5.000 3.346 3.003 4.421 . 0 0 "[ . 1 . 2]" 1
341 1 45 MET ME 1 66 ASP H 1.800 . 5.000 3.426 3.100 4.957 . 0 0 "[ . 1 . 2]" 1
342 1 45 MET ME 1 67 ASP H 1.800 . 5.000 4.103 3.525 5.031 0.031 7 0 "[ . 1 . 2]" 1
343 1 45 MET QG 1 66 ASP H 1.800 . 5.500 5.073 2.433 5.521 0.021 5 0 "[ . 1 . 2]" 1
344 1 47 LEU MD1 1 64 GLY H 1.800 . 5.500 2.967 2.439 3.266 . 0 0 "[ . 1 . 2]" 1
345 1 47 LEU MD2 1 64 GLY H 1.800 . 5.500 4.886 4.248 5.171 . 0 0 "[ . 1 . 2]" 1
346 1 49 LEU MD2 1 64 GLY H 1.800 . 5.500 3.142 2.601 3.760 . 0 0 "[ . 1 . 2]" 1
347 1 51 ALA MB 1 62 ARG H 1.800 . 5.500 4.340 3.690 4.958 . 0 0 "[ . 1 . 2]" 1
348 1 51 ALA MB 1 91 LEU H 1.800 . 5.500 3.958 3.042 4.664 . 0 0 "[ . 1 . 2]" 1
349 1 72 ASP QB 1 84 ILE H 1.800 . 5.500 3.198 2.512 4.643 . 0 0 "[ . 1 . 2]" 1
350 1 73 ILE HB 1 84 ILE H 1.800 . 5.000 3.296 2.692 3.664 . 0 0 "[ . 1 . 2]" 1
351 1 73 ILE MD 1 84 ILE H 1.800 . 5.500 5.131 4.519 5.510 0.010 12 0 "[ . 1 . 2]" 1
352 1 73 ILE MG 1 84 ILE H 1.800 . 5.500 4.086 3.581 4.397 . 0 0 "[ . 1 . 2]" 1
353 1 84 ILE MG 1 89 VAL H 1.800 . 5.000 2.843 2.394 3.140 . 0 0 "[ . 1 . 2]" 1
354 1 95 THR MG 1 112 LEU H 1.800 . 5.500 3.785 2.770 4.986 . 0 0 "[ . 1 . 2]" 1
355 1 96 THR HB 1 112 LEU H 1.800 . 5.000 3.342 2.910 3.962 . 0 0 "[ . 1 . 2]" 1
356 1 96 THR MG 1 112 LEU H 1.800 . 5.500 4.221 3.630 4.573 . 0 0 "[ . 1 . 2]" 1
357 1 97 LEU MD1 1 110 ILE H 1.800 . 5.500 3.282 2.820 5.520 0.020 5 0 "[ . 1 . 2]" 1
358 1 100 VAL MG1 1 110 ILE H 1.800 . 5.500 4.703 4.269 5.248 . 0 0 "[ . 1 . 2]" 1
359 1 100 VAL MG2 1 108 HIS H 1.800 . 5.500 3.764 3.412 4.064 . 0 0 "[ . 1 . 2]" 1
360 1 100 VAL MG2 1 110 ILE H 1.800 . 5.000 3.893 3.541 4.206 . 0 0 "[ . 1 . 2]" 1
361 1 101 GLU QG 1 106 GLN H 1.800 . 5.000 3.270 2.472 5.021 0.021 9 0 "[ . 1 . 2]" 1
362 1 102 LEU MD1 1 108 HIS H 1.800 . 5.500 4.702 4.018 5.277 . 0 0 "[ . 1 . 2]" 1
363 1 102 LEU MD2 1 108 HIS H 1.800 . 5.500 5.101 2.680 5.512 0.012 10 0 "[ . 1 . 2]" 1
364 1 102 LEU HG 1 108 HIS H 1.800 . 5.000 4.071 3.297 5.046 0.046 19 0 "[ . 1 . 2]" 1
365 1 22 MET H 1 75 LEU MD1 1.800 . 5.500 5.095 4.033 5.549 0.049 18 0 "[ . 1 . 2]" 1
366 1 22 MET H 1 75 LEU MD2 1.800 . 5.500 5.355 4.692 5.538 0.038 9 0 "[ . 1 . 2]" 1
367 1 23 PHE H 1 75 LEU MD1 1.800 . 5.500 3.670 2.036 4.682 . 0 0 "[ . 1 . 2]" 1
368 1 23 PHE H 1 75 LEU MD2 1.800 . 5.000 3.984 2.532 4.926 . 0 0 "[ . 1 . 2]" 1
369 1 25 LEU H 1 77 SER QB 1.800 . 5.500 3.907 2.805 4.926 . 0 0 "[ . 1 . 2]" 1
370 1 26 THR H 1 96 THR MG 1.800 . 5.500 4.324 3.932 4.965 . 0 0 "[ . 1 . 2]" 1
371 1 26 THR H 1 29 ALA MB 1.800 . 5.500 3.048 2.390 3.515 . 0 0 "[ . 1 . 2]" 1
372 1 26 THR H 1 30 ALA MB 1.800 . 5.500 4.938 4.353 5.504 0.004 19 0 "[ . 1 . 2]" 1
373 1 29 ALA H 1 99 TYR QB 1.800 . 5.500 4.659 2.756 5.516 0.016 16 0 "[ . 1 . 2]" 1
374 1 30 ALA H 1 33 VAL MG2 1.800 . 5.500 4.384 4.099 4.798 . 0 0 "[ . 1 . 2]" 1
375 1 30 ALA H 1 80 VAL MG2 1.800 . 5.500 4.870 4.269 5.506 0.006 16 0 "[ . 1 . 2]" 1
376 1 31 GLU H 1 80 VAL MG2 1.800 . 5.500 4.910 4.438 5.364 . 0 0 "[ . 1 . 2]" 1
377 1 32 GLN H 1 35 LYS QB 1.800 . 5.500 4.593 4.228 4.881 . 0 0 "[ . 1 . 2]" 1
378 1 34 LEU H 1 80 VAL MG2 1.800 . 5.500 3.484 2.690 4.645 . 0 0 "[ . 1 . 2]" 1
379 1 47 LEU H 1 83 VAL MG2 1.800 . 5.500 3.748 3.137 4.321 . 0 0 "[ . 1 . 2]" 1
380 1 48 ARG H 1 83 VAL MG2 1.800 . 5.500 3.876 3.453 4.661 . 0 0 "[ . 1 . 2]" 1
381 1 49 LEU H 1 82 ILE MG 1.800 . 5.500 3.475 3.029 3.960 . 0 0 "[ . 1 . 2]" 1
382 1 49 LEU H 1 83 VAL MG2 1.800 . 5.500 3.887 3.386 4.260 . 0 0 "[ . 1 . 2]" 1
383 1 49 LEU H 1 84 ILE MD 1.800 . 5.500 4.301 3.724 4.744 . 0 0 "[ . 1 . 2]" 1
384 1 49 LEU H 1 84 ILE QG 1.800 . 5.000 2.812 2.333 3.220 . 0 0 "[ . 1 . 2]" 1
385 1 49 LEU H 1 84 ILE MG 1.800 . 5.500 3.957 3.361 4.499 . 0 0 "[ . 1 . 2]" 1
386 1 50 ALA H 1 92 LEU MD1 1.800 . 5.500 3.906 2.999 4.727 . 0 0 "[ . 1 . 2]" 1
387 1 51 ALA H 1 88 TYR QB 1.800 . 5.000 2.917 1.881 3.634 . 0 0 "[ . 1 . 2]" 1
388 1 51 ALA H 1 88 TYR QD 1.800 . 5.500 2.120 1.789 2.853 0.011 9 0 "[ . 1 . 2]" 1
389 1 51 ALA H 1 88 TYR QE 1.800 . 5.500 3.251 2.535 3.862 . 0 0 "[ . 1 . 2]" 1
390 1 51 ALA H 1 92 LEU MD1 1.800 . 5.000 3.818 2.974 4.500 . 0 0 "[ . 1 . 2]" 1
391 1 52 GLY H 1 59 ILE MG 1.800 . 5.000 3.438 2.969 5.015 0.015 3 0 "[ . 1 . 2]" 1
392 1 52 GLY H 1 60 ASP QB 1.800 . 5.000 3.080 2.085 4.264 . 0 0 "[ . 1 . 2]" 1
393 1 53 ARG H 1 91 LEU MD1 1.800 . 5.500 4.059 1.785 5.076 0.015 17 0 "[ . 1 . 2]" 1
394 1 69 THR H 1 72 ASP QB 1.800 . 5.000 3.639 3.227 4.897 . 0 0 "[ . 1 . 2]" 1
395 1 69 THR H 1 83 VAL MG1 1.800 . 5.500 3.414 1.994 4.699 . 0 0 "[ . 1 . 2]" 1
396 1 75 LEU H 1 82 ILE HB 1.800 . 5.000 3.306 2.893 3.842 . 0 0 "[ . 1 . 2]" 1
397 1 75 LEU H 1 82 ILE MD 1.800 . 5.500 5.181 4.803 5.515 0.015 18 0 "[ . 1 . 2]" 1
398 1 75 LEU H 1 82 ILE MG 1.800 . 5.500 4.094 3.833 4.579 . 0 0 "[ . 1 . 2]" 1
399 1 75 LEU H 1 83 VAL MG1 1.800 . 5.500 3.842 3.209 4.196 . 0 0 "[ . 1 . 2]" 1
400 1 77 SER H 1 80 VAL HB 1.800 . 5.000 4.148 3.632 4.790 . 0 0 "[ . 1 . 2]" 1
401 1 77 SER H 1 80 VAL MG1 1.800 . 5.500 4.611 4.142 5.021 . 0 0 "[ . 1 . 2]" 1
402 1 77 SER H 1 82 ILE MD 1.800 . 5.500 4.205 3.266 4.963 . 0 0 "[ . 1 . 2]" 1
403 1 77 SER H 1 82 ILE QG 1.800 . 5.500 3.694 3.165 4.487 . 0 0 "[ . 1 . 2]" 1
404 1 85 ALA H 1 88 TYR QD 1.800 . 5.500 2.677 1.827 3.719 . 0 0 "[ . 1 . 2]" 1
405 1 96 THR H 1 111 PHE QB 1.800 . 5.500 4.753 4.268 5.219 . 0 0 "[ . 1 . 2]" 1
406 1 96 THR H 1 112 LEU QB 1.800 . 5.500 3.068 2.000 3.532 . 0 0 "[ . 1 . 2]" 1
407 1 98 ASP H 1 110 ILE MD 1.800 . 5.500 4.287 3.827 4.960 . 0 0 "[ . 1 . 2]" 1
408 1 98 ASP H 1 110 ILE QG 1.800 . 5.500 2.864 2.348 4.168 . 0 0 "[ . 1 . 2]" 1
409 1 98 ASP H 1 110 ILE MG 1.800 . 5.500 4.901 2.407 5.232 . 0 0 "[ . 1 . 2]" 1
410 1 98 ASP H 1 112 LEU MD1 1.800 . 5.500 4.765 4.011 5.523 0.023 6 0 "[ . 1 . 2]" 1
411 1 100 VAL H 1 110 ILE QG 1.800 . 5.500 3.687 3.280 5.557 0.057 1 0 "[ . 1 . 2]" 1
412 1 100 VAL H 1 110 ILE MG 1.800 . 5.500 3.386 2.499 3.990 . 0 0 "[ . 1 . 2]" 1
413 1 101 GLU H 1 107 PHE QE 1.800 . 5.500 4.338 3.697 5.395 . 0 0 "[ . 1 . 2]" 1
414 1 102 LEU H 1 106 GLN QB 1.800 . 5.500 4.713 3.873 5.501 0.001 15 0 "[ . 1 . 2]" 1
415 1 102 LEU H 1 108 HIS HD2 1.800 . 5.000 3.841 2.552 5.068 0.068 18 0 "[ . 1 . 2]" 1
416 1 103 GLU H 1 106 GLN QB 1.800 . 5.000 3.234 2.486 3.842 . 0 0 "[ . 1 . 2]" 1
417 1 103 GLU H 1 106 GLN QG 1.800 . 5.000 4.652 4.052 5.033 0.033 3 0 "[ . 1 . 2]" 1
418 1 22 MET QB 1 94 GLN HA 1.800 . 5.500 2.438 1.791 3.787 0.009 15 0 "[ . 1 . 2]" 1
419 1 25 LEU MD2 1 30 ALA HA 1.800 . 5.000 2.480 2.042 2.791 . 0 0 "[ . 1 . 2]" 1
420 1 26 THR HG1 1 98 ASP HA 1.800 . 5.000 2.238 1.810 2.759 . 0 0 "[ . 1 . 2]" 1
421 1 26 THR MG 1 98 ASP HA 1.800 . 5.000 3.189 2.112 4.016 . 0 0 "[ . 1 . 2]" 1
422 1 29 ALA HA 1 99 TYR QB 1.800 . 5.000 3.130 2.013 3.838 . 0 0 "[ . 1 . 2]" 1
423 1 29 ALA HA 1 109 PHE QE 1.800 . 5.000 3.034 2.344 4.120 . 0 0 "[ . 1 . 2]" 1
424 1 29 ALA MB 1 98 ASP HA 1.800 . 5.000 2.629 1.791 3.726 0.009 14 0 "[ . 1 . 2]" 1
425 1 30 ALA HA 1 80 VAL MG2 1.800 . 5.000 2.726 2.168 3.359 . 0 0 "[ . 1 . 2]" 1
426 1 31 GLU HA 1 80 VAL MG2 1.800 . 5.500 4.702 4.037 5.515 0.015 3 0 "[ . 1 . 2]" 1
427 1 37 ALA HA 1 42 THR MG 1.800 . 5.500 4.302 3.667 4.829 . 0 0 "[ . 1 . 2]" 1
428 1 37 ALA MB 1 43 GLU HA 1.800 . 5.000 2.434 1.788 3.350 0.012 5 0 "[ . 1 . 2]" 1
429 1 38 LYS HA 1 43 GLU QG 1.800 . 5.500 3.983 2.426 5.326 . 0 0 "[ . 1 . 2]" 1
430 1 42 THR HA 1 65 PHE QD 1.800 . 5.500 4.977 4.300 5.509 0.009 16 0 "[ . 1 . 2]" 1
431 1 45 MET ME 1 66 ASP HA 1.800 . 5.000 2.550 1.809 3.925 . 0 0 "[ . 1 . 2]" 1
432 1 45 MET ME 1 67 ASP HA 1.800 . 5.000 4.043 3.312 5.019 0.019 14 0 "[ . 1 . 2]" 1
433 1 47 LEU HA 1 65 PHE QD 1.800 . 5.000 3.307 2.794 3.848 . 0 0 "[ . 1 . 2]" 1
434 1 47 LEU QB 1 82 ILE HA 1.800 . 5.500 2.441 2.033 2.733 . 0 0 "[ . 1 . 2]" 1
435 1 47 LEU MD1 1 63 MET HA 1.800 . 5.500 3.669 3.038 4.165 . 0 0 "[ . 1 . 2]" 1
436 1 48 ARG HA 1 83 VAL MG2 1.800 . 5.000 2.359 2.104 2.998 . 0 0 "[ . 1 . 2]" 1
437 1 49 LEU MD2 1 63 MET HA 1.800 . 5.000 2.255 1.908 3.163 . 0 0 "[ . 1 . 2]" 1
438 1 50 ALA HA 1 92 LEU MD1 1.800 . 5.000 3.551 2.450 4.727 . 0 0 "[ . 1 . 2]" 1
439 1 51 ALA MB 1 61 TYR HA 1.800 . 5.000 3.605 2.739 4.455 . 0 0 "[ . 1 . 2]" 1
440 1 52 GLY QA 1 91 LEU MD1 1.800 . 5.000 3.625 1.793 5.005 0.007 17 0 "[ . 1 . 2]" 1
441 1 54 ASN QD 1 60 ASP HA 1.800 . 5.000 4.053 2.234 5.030 0.030 1 0 "[ . 1 . 2]" 1
442 1 59 ILE MD 1 116 ASP HA 1.800 . 5.000 4.507 3.311 5.029 0.029 7 0 "[ . 1 . 2]" 1
443 1 68 LEU HA 1 83 VAL MG1 1.800 . 5.000 3.010 2.065 4.301 . 0 0 "[ . 1 . 2]" 1
444 1 68 LEU HA 1 83 VAL MG2 1.800 . 5.000 2.870 2.266 3.607 . 0 0 "[ . 1 . 2]" 1
445 1 72 ASP HA 1 85 ALA MB 1.800 . 5.000 3.894 2.941 5.025 0.025 3 0 "[ . 1 . 2]" 1
446 1 73 ILE MD 1 86 PRO HA 1.800 . 5.000 2.965 1.927 4.453 . 0 0 "[ . 1 . 2]" 1
447 1 74 ARG HA 1 83 VAL MG1 1.800 . 5.500 2.633 1.991 3.063 . 0 0 "[ . 1 . 2]" 1
448 1 76 THR HA 1 82 ILE MD 1.800 . 5.500 5.006 4.098 5.517 0.017 8 0 "[ . 1 . 2]" 1
449 1 76 THR MG 1 79 GLY QA 1.800 . 5.500 4.079 2.745 5.120 . 0 0 "[ . 1 . 2]" 1
450 1 76 THR MG 1 80 VAL HA 1.800 . 5.500 4.983 4.408 5.502 0.002 14 0 "[ . 1 . 2]" 1
451 1 76 THR MG 1 81 GLU HA 1.800 . 5.000 3.220 2.700 3.556 . 0 0 "[ . 1 . 2]" 1
452 1 84 ILE MG 1 89 VAL HA 1.800 . 5.000 2.512 1.931 2.900 . 0 0 "[ . 1 . 2]" 1
453 1 95 THR MG 1 113 ASN HA 1.800 . 5.000 3.694 1.797 4.943 0.003 15 0 "[ . 1 . 2]" 1
454 1 96 THR MG 1 98 ASP HA 1.800 . 5.500 4.708 4.084 5.295 . 0 0 "[ . 1 . 2]" 1
455 1 97 LEU MD1 1 109 PHE HA 1.800 . 5.500 3.588 3.049 5.418 . 0 0 "[ . 1 . 2]" 1
456 1 100 VAL HA 1 107 PHE QE 1.800 . 5.500 4.862 3.935 5.523 0.023 4 0 "[ . 1 . 2]" 1
457 1 101 GLU QG 1 104 PRO HA 1.800 . 5.000 3.202 2.315 4.895 . 0 0 "[ . 1 . 2]" 1
458 1 22 MET ME 1 94 GLN QE 1.800 . 5.500 3.919 2.352 5.444 . 0 0 "[ . 1 . 2]" 1
459 1 22 MET QG 1 94 GLN QE 1.800 . 5.500 4.416 2.954 5.539 0.039 2 0 "[ . 1 . 2]" 1
460 1 23 PHE QB 1 75 LEU MD1 1.800 . 5.000 2.840 1.855 4.598 . 0 0 "[ . 1 . 2]" 1
461 1 23 PHE QB 1 75 LEU MD2 1.800 . 5.500 3.206 1.801 4.383 . 0 0 "[ . 1 . 2]" 1
462 1 23 PHE QB 1 82 ILE MD 1.800 . 5.500 4.248 3.170 5.517 0.017 15 0 "[ . 1 . 2]" 1
463 1 23 PHE QD 1 49 LEU MD1 1.800 . 5.500 3.400 2.871 3.823 . 0 0 "[ . 1 . 2]" 1
464 1 23 PHE QD 1 25 LEU MD1 1.800 . 5.000 3.673 1.988 4.682 . 0 0 "[ . 1 . 2]" 1
465 1 23 PHE QD 1 75 LEU MD1 1.800 . 5.000 3.832 2.532 5.017 0.017 16 0 "[ . 1 . 2]" 1
466 1 23 PHE QD 1 75 LEU MD2 1.800 . 5.500 4.158 2.401 5.509 0.009 8 0 "[ . 1 . 2]" 1
467 1 23 PHE QD 1 82 ILE MD 1.800 . 5.000 2.988 2.256 4.069 . 0 0 "[ . 1 . 2]" 1
468 1 23 PHE QD 1 82 ILE MG 1.800 . 5.500 3.926 2.565 5.077 . 0 0 "[ . 1 . 2]" 1
469 1 23 PHE QD 1 84 ILE MD 1.800 . 5.500 3.836 3.286 4.298 . 0 0 "[ . 1 . 2]" 1
470 1 23 PHE QD 1 92 LEU MD2 1.800 . 5.500 3.913 2.889 5.235 . 0 0 "[ . 1 . 2]" 1
471 1 23 PHE QD 1 95 THR HB 1.800 . 5.500 2.420 1.773 4.361 0.027 1 0 "[ . 1 . 2]" 1
472 1 23 PHE QD 1 95 THR MG 1.800 . 5.500 3.442 2.642 4.160 . 0 0 "[ . 1 . 2]" 1
473 1 23 PHE QE 1 49 LEU MD1 1.800 . 5.500 2.722 2.364 2.898 . 0 0 "[ . 1 . 2]" 1
474 1 23 PHE QE 1 49 LEU MD2 1.800 . 5.500 3.866 3.110 4.306 . 0 0 "[ . 1 . 2]" 1
475 1 23 PHE QE 1 63 MET ME 1.800 . 5.500 4.700 3.709 5.525 0.025 6 0 "[ . 1 . 2]" 1
476 1 23 PHE QE 1 25 LEU MD1 1.800 . 5.000 2.419 1.794 3.902 0.006 12 0 "[ . 1 . 2]" 1
477 1 23 PHE QE 1 25 LEU MD2 1.800 . 5.500 4.120 2.842 4.724 . 0 0 "[ . 1 . 2]" 1
478 1 23 PHE QE 1 25 LEU HG 1.800 . 5.500 3.018 2.224 3.871 . 0 0 "[ . 1 . 2]" 1
479 1 23 PHE QE 1 82 ILE MD 1.800 . 5.500 2.540 1.950 3.159 . 0 0 "[ . 1 . 2]" 1
480 1 23 PHE QE 1 82 ILE MG 1.800 . 5.500 3.864 2.876 4.864 . 0 0 "[ . 1 . 2]" 1
481 1 23 PHE QE 1 92 LEU MD1 1.800 . 5.500 4.693 3.688 5.495 . 0 0 "[ . 1 . 2]" 1
482 1 23 PHE QE 1 92 LEU MD2 1.800 . 5.000 3.440 2.388 4.999 . 0 0 "[ . 1 . 2]" 1
483 1 23 PHE QE 1 95 THR MG 1.800 . 5.500 2.955 2.169 4.600 . 0 0 "[ . 1 . 2]" 1
484 1 23 PHE QE 1 97 LEU QB 1.800 . 5.000 2.964 2.573 3.314 . 0 0 "[ . 1 . 2]" 1
485 1 23 PHE QE 1 97 LEU MD1 1.800 . 5.000 3.893 3.112 4.413 . 0 0 "[ . 1 . 2]" 1
486 1 23 PHE QE 1 97 LEU MD2 1.800 . 5.500 2.898 2.257 4.673 . 0 0 "[ . 1 . 2]" 1
487 1 23 PHE HZ 1 49 LEU MD1 1.800 . 5.500 2.826 2.417 3.398 . 0 0 "[ . 1 . 2]" 1
488 1 23 PHE HZ 1 49 LEU MD2 1.800 . 5.500 3.550 3.155 4.203 . 0 0 "[ . 1 . 2]" 1
489 1 23 PHE HZ 1 63 MET QB 1.800 . 5.500 5.470 4.340 5.578 0.078 3 0 "[ . 1 . 2]" 1
490 1 23 PHE HZ 1 63 MET ME 1.800 . 5.500 4.063 2.962 5.069 . 0 0 "[ . 1 . 2]" 1
491 1 23 PHE HZ 1 63 MET QG 1.800 . 5.500 4.768 3.645 5.526 0.026 7 0 "[ . 1 . 2]" 1
492 1 23 PHE HZ 1 97 LEU MD1 1.800 . 5.500 3.314 2.220 3.890 . 0 0 "[ . 1 . 2]" 1
493 1 23 PHE HZ 1 97 LEU MD2 1.800 . 5.500 2.204 1.800 4.229 0.000 15 0 "[ . 1 . 2]" 1
494 1 24 LYS QB 1 96 THR MG 1.800 . 5.000 2.170 1.800 2.932 0.000 12 0 "[ . 1 . 2]" 1
495 1 24 LYS QD 1 96 THR MG 1.800 . 5.000 2.786 1.791 3.887 0.009 19 0 "[ . 1 . 2]" 1
496 1 24 LYS QE 1 96 THR MG 1.800 . 5.500 4.186 2.401 5.091 . 0 0 "[ . 1 . 2]" 1
497 1 24 LYS QG 1 96 THR MG 1.800 . 5.000 3.545 2.482 4.286 . 0 0 "[ . 1 . 2]" 1
498 1 25 LEU QB 1 77 SER QB 1.800 . 5.500 2.925 2.013 5.507 0.007 16 0 "[ . 1 . 2]" 1
499 1 25 LEU QB 1 82 ILE MD 1.800 . 5.500 3.409 2.268 4.718 . 0 0 "[ . 1 . 2]" 1
500 1 25 LEU QB 1 97 LEU QB 1.800 . 5.500 3.462 1.898 3.856 . 0 0 "[ . 1 . 2]" 1
501 1 25 LEU QB 1 29 ALA MB 1.800 . 5.500 4.253 1.888 4.822 . 0 0 "[ . 1 . 2]" 1
502 1 25 LEU QB 1 30 ALA MB 1.800 . 5.500 3.451 1.947 4.282 . 0 0 "[ . 1 . 2]" 1
503 1 25 LEU MD1 1 47 LEU MD2 1.800 . 5.000 3.023 2.411 4.134 . 0 0 "[ . 1 . 2]" 1
504 1 25 LEU MD1 1 49 LEU MD2 1.800 . 5.500 4.663 3.842 5.560 0.060 16 0 "[ . 1 . 2]" 1
505 1 25 LEU MD1 1 77 SER QB 1.800 . 5.500 3.044 2.135 3.691 . 0 0 "[ . 1 . 2]" 1
506 1 25 LEU MD1 1 80 VAL HB 1.800 . 5.000 2.902 2.078 3.795 . 0 0 "[ . 1 . 2]" 1
507 1 25 LEU MD1 1 82 ILE MD 1.800 . 5.000 2.037 1.784 2.358 0.016 14 0 "[ . 1 . 2]" 1
508 1 25 LEU MD1 1 97 LEU MD2 1.800 . 5.000 2.740 2.097 4.099 . 0 0 "[ . 1 . 2]" 1
509 1 25 LEU MD1 1 29 ALA MB 1.800 . 5.000 4.060 3.330 4.829 . 0 0 "[ . 1 . 2]" 1
510 1 25 LEU MD1 1 30 ALA MB 1.800 . 5.000 3.206 1.953 4.096 . 0 0 "[ . 1 . 2]" 1
511 1 25 LEU MD2 1 47 LEU MD2 1.800 . 5.500 4.295 2.520 5.002 . 0 0 "[ . 1 . 2]" 1
512 1 25 LEU MD2 1 63 MET ME 1.800 . 5.500 4.621 3.743 5.477 . 0 0 "[ . 1 . 2]" 1
513 1 25 LEU MD2 1 80 VAL HB 1.800 . 5.000 4.057 2.338 5.005 0.005 20 0 "[ . 1 . 2]" 1
514 1 25 LEU MD2 1 97 LEU QB 1.800 . 5.500 3.443 2.747 4.504 . 0 0 "[ . 1 . 2]" 1
515 1 25 LEU MD2 1 97 LEU MD2 1.800 . 5.000 2.628 1.908 3.446 . 0 0 "[ . 1 . 2]" 1
516 1 25 LEU MD2 1 29 ALA MB 1.800 . 5.000 2.341 1.954 3.236 . 0 0 "[ . 1 . 2]" 1
517 1 25 LEU MD2 1 30 ALA MB 1.800 . 5.000 2.173 1.868 3.361 . 0 0 "[ . 1 . 2]" 1
518 1 25 LEU HG 1 77 SER QB 1.800 . 5.500 5.058 4.447 5.514 0.014 7 0 "[ . 1 . 2]" 1
519 1 25 LEU HG 1 82 ILE MD 1.800 . 5.000 3.978 2.400 4.777 . 0 0 "[ . 1 . 2]" 1
520 1 25 LEU HG 1 97 LEU MD2 1.800 . 5.000 1.943 1.780 3.298 0.020 9 0 "[ . 1 . 2]" 1
521 1 26 THR HG1 1 28 ALA MB 1.800 . 5.500 3.730 2.702 5.305 . 0 0 "[ . 1 . 2]" 1
522 1 26 THR HG1 1 29 ALA MB 1.800 . 5.000 2.872 2.413 4.622 . 0 0 "[ . 1 . 2]" 1
523 1 26 THR MG 1 96 THR MG 1.800 . 5.000 3.156 2.460 5.003 0.003 19 0 "[ . 1 . 2]" 1
524 1 26 THR MG 1 98 ASP QB 1.800 . 5.000 2.868 2.092 4.452 . 0 0 "[ . 1 . 2]" 1
525 1 26 THR MG 1 28 ALA MB 1.800 . 5.500 4.005 2.408 5.145 . 0 0 "[ . 1 . 2]" 1
526 1 26 THR MG 1 29 ALA MB 1.800 . 5.000 3.869 3.563 4.156 . 0 0 "[ . 1 . 2]" 1
527 1 28 ALA MB 1 31 GLU QB 1.800 . 5.500 4.284 3.825 4.686 . 0 0 "[ . 1 . 2]" 1
528 1 28 ALA MB 1 99 TYR QB 1.800 . 5.500 4.483 1.986 5.447 . 0 0 "[ . 1 . 2]" 1
529 1 29 ALA MB 1 33 VAL MG2 1.800 . 5.000 3.353 3.065 3.655 . 0 0 "[ . 1 . 2]" 1
530 1 29 ALA MB 1 97 LEU QB 1.800 . 5.500 3.998 3.458 4.355 . 0 0 "[ . 1 . 2]" 1
531 1 29 ALA MB 1 97 LEU MD1 1.800 . 5.000 3.932 3.360 4.588 . 0 0 "[ . 1 . 2]" 1
532 1 29 ALA MB 1 97 LEU MD2 1.800 . 5.000 3.192 2.454 4.017 . 0 0 "[ . 1 . 2]" 1
533 1 29 ALA MB 1 97 LEU HG 1.800 . 5.000 3.072 2.518 4.784 . 0 0 "[ . 1 . 2]" 1
534 1 29 ALA MB 1 99 TYR QB 1.800 . 5.500 2.637 1.911 3.317 . 0 0 "[ . 1 . 2]" 1
535 1 29 ALA MB 1 99 TYR QE 1.800 . 5.500 4.051 3.305 5.452 . 0 0 "[ . 1 . 2]" 1
536 1 29 ALA MB 1 109 PHE QD 1.800 . 5.000 2.703 2.218 3.553 . 0 0 "[ . 1 . 2]" 1
537 1 29 ALA MB 1 109 PHE QE 1.800 . 5.000 2.244 1.790 3.548 0.010 4 0 "[ . 1 . 2]" 1
538 1 30 ALA MB 1 78 GLU QB 1.800 . 5.000 3.393 2.211 4.056 . 0 0 "[ . 1 . 2]" 1
539 1 30 ALA MB 1 78 GLU QG 1.800 . 5.000 4.276 2.556 5.046 0.046 17 0 "[ . 1 . 2]" 1
540 1 30 ALA MB 1 80 VAL HB 1.800 . 5.500 3.716 3.067 4.409 . 0 0 "[ . 1 . 2]" 1
541 1 30 ALA MB 1 80 VAL MG1 1.800 . 5.000 4.355 3.871 4.828 . 0 0 "[ . 1 . 2]" 1
542 1 30 ALA MB 1 80 VAL MG2 1.800 . 5.000 2.357 1.917 2.873 . 0 0 "[ . 1 . 2]" 1
543 1 31 GLU QG 1 34 LEU MD1 1.800 . 5.500 5.438 4.972 5.552 0.052 2 0 "[ . 1 . 2]" 1
544 1 31 GLU QG 1 34 LEU QB 1.800 . 5.500 3.688 3.321 4.678 . 0 0 "[ . 1 . 2]" 1
545 1 32 GLN QB 1 99 TYR QE 1.800 . 5.500 3.833 2.630 4.644 . 0 0 "[ . 1 . 2]" 1
546 1 32 GLN QE 1 99 TYR QE 1.800 . 5.500 4.755 3.111 5.491 . 0 0 "[ . 1 . 2]" 1
547 1 32 GLN QG 1 36 ALA MB 1.800 . 5.500 3.874 3.241 4.323 . 0 0 "[ . 1 . 2]" 1
548 1 32 GLN QG 1 109 PHE QE 1.800 . 5.000 3.440 2.532 4.110 . 0 0 "[ . 1 . 2]" 1
549 1 32 GLN QG 1 109 PHE HZ 1.800 . 5.000 2.605 2.028 3.335 . 0 0 "[ . 1 . 2]" 1
550 1 33 VAL HB 1 80 VAL MG1 1.800 . 5.000 3.541 3.096 4.177 . 0 0 "[ . 1 . 2]" 1
551 1 33 VAL MG1 1 36 ALA MB 1.800 . 5.500 3.538 3.257 4.039 . 0 0 "[ . 1 . 2]" 1
552 1 33 VAL MG1 1 47 LEU MD1 1.800 . 5.000 2.873 2.198 3.691 . 0 0 "[ . 1 . 2]" 1
553 1 33 VAL MG1 1 47 LEU MD2 1.800 . 5.000 2.430 1.858 3.263 . 0 0 "[ . 1 . 2]" 1
554 1 33 VAL MG1 1 63 MET ME 1.800 . 5.000 4.362 3.388 5.018 0.018 12 0 "[ . 1 . 2]" 1
555 1 33 VAL MG1 1 65 PHE QE 1.800 . 5.000 2.809 2.075 3.599 . 0 0 "[ . 1 . 2]" 1
556 1 33 VAL MG1 1 65 PHE HZ 1.800 . 5.000 2.261 1.794 3.363 0.006 11 0 "[ . 1 . 2]" 1
557 1 33 VAL MG2 1 36 ALA MB 1.800 . 5.500 4.300 3.977 4.810 . 0 0 "[ . 1 . 2]" 1
558 1 33 VAL MG2 1 47 LEU MD1 1.800 . 5.500 3.885 3.041 4.563 . 0 0 "[ . 1 . 2]" 1
559 1 33 VAL MG2 1 63 MET ME 1.800 . 5.000 3.306 2.476 4.119 . 0 0 "[ . 1 . 2]" 1
560 1 33 VAL MG2 1 97 LEU MD2 1.800 . 5.500 3.398 2.497 3.906 . 0 0 "[ . 1 . 2]" 1
561 1 33 VAL MG2 1 109 PHE QD 1.800 . 5.500 4.187 3.510 5.042 . 0 0 "[ . 1 . 2]" 1
562 1 33 VAL MG2 1 109 PHE QE 1.800 . 5.500 2.835 2.264 3.395 . 0 0 "[ . 1 . 2]" 1
563 1 33 VAL MG2 1 109 PHE HZ 1.800 . 5.000 3.035 2.492 3.924 . 0 0 "[ . 1 . 2]" 1
564 1 34 LEU MD2 1 38 LYS QD 1.800 . 5.000 4.335 3.498 5.024 0.024 17 0 "[ . 1 . 2]" 1
565 1 34 LEU MD2 1 37 ALA MB 1.800 . 5.500 4.956 3.279 5.344 . 0 0 "[ . 1 . 2]" 1
566 1 35 LYS QB 1 39 GLN QG 1.800 . 5.500 4.554 4.181 5.417 . 0 0 "[ . 1 . 2]" 1
567 1 35 LYS QG 1 39 GLN QG 1.800 . 5.500 3.171 2.450 4.296 . 0 0 "[ . 1 . 2]" 1
568 1 36 ALA MB 1 39 GLN QG 1.800 . 5.500 4.312 3.523 5.503 0.003 2 0 "[ . 1 . 2]" 1
569 1 36 ALA MB 1 65 PHE QE 1.800 . 5.000 3.135 2.083 4.200 . 0 0 "[ . 1 . 2]" 1
570 1 36 ALA MB 1 65 PHE HZ 1.800 . 5.000 3.176 2.347 3.983 . 0 0 "[ . 1 . 2]" 1
571 1 37 ALA MB 1 43 GLU QB 1.800 . 5.500 3.566 2.407 4.320 . 0 0 "[ . 1 . 2]" 1
572 1 37 ALA MB 1 43 GLU QG 1.800 . 5.000 3.381 2.016 4.569 . 0 0 "[ . 1 . 2]" 1
573 1 37 ALA MB 1 65 PHE QE 1.800 . 5.500 3.186 2.302 4.342 . 0 0 "[ . 1 . 2]" 1
574 1 42 THR HB 1 45 MET QB 1.800 . 5.500 3.022 2.255 4.664 . 0 0 "[ . 1 . 2]" 1
575 1 42 THR HB 1 45 MET ME 1.800 . 5.000 4.583 3.783 5.019 0.019 11 0 "[ . 1 . 2]" 1
576 1 42 THR HB 1 45 MET QG 1.800 . 5.500 4.187 3.225 5.521 0.021 14 0 "[ . 1 . 2]" 1
577 1 42 THR MG 1 45 MET QB 1.800 . 5.500 3.383 2.540 4.039 . 0 0 "[ . 1 . 2]" 1
578 1 42 THR MG 1 45 MET ME 1.800 . 5.000 3.423 2.095 4.473 . 0 0 "[ . 1 . 2]" 1
579 1 42 THR MG 1 45 MET QG 1.800 . 5.500 3.742 2.704 4.716 . 0 0 "[ . 1 . 2]" 1
580 1 42 THR MG 1 65 PHE QB 1.800 . 5.500 2.460 1.974 3.119 . 0 0 "[ . 1 . 2]" 1
581 1 42 THR MG 1 65 PHE QD 1.800 . 5.500 2.847 2.470 3.467 . 0 0 "[ . 1 . 2]" 1
582 1 42 THR MG 1 65 PHE QE 1.800 . 5.500 3.874 3.204 4.926 . 0 0 "[ . 1 . 2]" 1
583 1 45 MET QB 1 65 PHE QB 1.800 . 5.500 2.228 1.785 2.810 0.015 2 0 "[ . 1 . 2]" 1
584 1 45 MET ME 1 65 PHE QB 1.800 . 5.000 2.704 1.952 3.696 . 0 0 "[ . 1 . 2]" 1
585 1 45 MET ME 1 67 ASP QB 1.800 . 5.500 4.429 3.696 5.492 . 0 0 "[ . 1 . 2]" 1
586 1 46 CYS QB 1 83 VAL MG1 1.800 . 5.000 3.219 2.322 3.845 . 0 0 "[ . 1 . 2]" 1
587 1 46 CYS QB 1 83 VAL MG2 1.800 . 5.000 2.613 2.156 3.130 . 0 0 "[ . 1 . 2]" 1
588 1 47 LEU QB 1 80 VAL MG1 1.800 . 5.500 2.621 2.133 3.096 . 0 0 "[ . 1 . 2]" 1
589 1 47 LEU QB 1 81 GLU QB 1.800 . 5.500 4.916 4.442 5.520 0.020 10 0 "[ . 1 . 2]" 1
590 1 47 LEU QB 1 81 GLU QG 1.800 . 5.500 5.243 4.473 5.537 0.037 12 0 "[ . 1 . 2]" 1
591 1 47 LEU QB 1 82 ILE MD 1.800 . 5.500 3.482 1.825 4.450 . 0 0 "[ . 1 . 2]" 1
592 1 47 LEU QB 1 82 ILE QG 1.800 . 5.500 2.846 1.854 4.124 . 0 0 "[ . 1 . 2]" 1
593 1 47 LEU MD1 1 49 LEU MD2 1.800 . 5.000 3.050 2.671 3.734 . 0 0 "[ . 1 . 2]" 1
594 1 47 LEU MD1 1 63 MET QB 1.800 . 5.000 2.901 1.785 3.822 0.015 6 0 "[ . 1 . 2]" 1
595 1 47 LEU MD1 1 63 MET ME 1.800 . 5.000 3.465 2.129 4.352 . 0 0 "[ . 1 . 2]" 1
596 1 47 LEU MD1 1 63 MET QG 1.800 . 5.500 2.980 1.785 4.447 0.015 15 0 "[ . 1 . 2]" 1
597 1 47 LEU MD1 1 65 PHE QD 1.800 . 5.500 3.448 3.095 3.864 . 0 0 "[ . 1 . 2]" 1
598 1 47 LEU MD1 1 65 PHE QE 1.800 . 5.500 3.211 2.775 3.710 . 0 0 "[ . 1 . 2]" 1
599 1 47 LEU MD1 1 82 ILE MG 1.800 . 5.500 4.380 4.061 4.957 . 0 0 "[ . 1 . 2]" 1
600 1 47 LEU MD2 1 49 LEU MD1 1.800 . 5.000 3.600 2.890 4.329 . 0 0 "[ . 1 . 2]" 1
601 1 47 LEU MD2 1 49 LEU MD2 1.800 . 5.000 2.599 2.275 3.259 . 0 0 "[ . 1 . 2]" 1
602 1 47 LEU MD2 1 49 LEU HG 1.800 . 5.500 3.835 3.194 4.393 . 0 0 "[ . 1 . 2]" 1
603 1 47 LEU MD2 1 63 MET ME 1.800 . 5.000 3.133 1.975 4.512 . 0 0 "[ . 1 . 2]" 1
604 1 47 LEU MD2 1 82 ILE MD 1.800 . 5.000 2.420 1.785 3.323 0.015 12 0 "[ . 1 . 2]" 1
605 1 47 LEU MD2 1 84 ILE MD 1.800 . 5.500 5.420 5.165 5.537 0.037 12 0 "[ . 1 . 2]" 1
606 1 48 ARG QB 1 66 ASP QB 1.800 . 5.500 2.132 1.864 2.749 . 0 0 "[ . 1 . 2]" 1
607 1 48 ARG QB 1 83 VAL MG2 1.800 . 5.000 2.465 2.015 3.010 . 0 0 "[ . 1 . 2]" 1
608 1 48 ARG HE 1 83 VAL MG2 1.800 . 5.500 3.994 3.131 5.010 . 0 0 "[ . 1 . 2]" 1
609 1 49 LEU QB 1 84 ILE MD 1.800 . 5.500 2.875 2.354 3.624 . 0 0 "[ . 1 . 2]" 1
610 1 49 LEU QB 1 84 ILE MG 1.800 . 5.500 2.988 2.439 3.461 . 0 0 "[ . 1 . 2]" 1
611 1 49 LEU QB 1 92 LEU MD1 1.800 . 5.500 2.010 1.783 2.427 0.017 5 0 "[ . 1 . 2]" 1
612 1 49 LEU MD1 1 63 MET QB 1.800 . 5.500 4.665 4.178 5.213 . 0 0 "[ . 1 . 2]" 1
613 1 49 LEU MD1 1 82 ILE MD 1.800 . 5.000 2.813 1.974 4.148 . 0 0 "[ . 1 . 2]" 1
614 1 49 LEU MD1 1 82 ILE QG 1.800 . 5.500 3.933 3.400 4.746 . 0 0 "[ . 1 . 2]" 1
615 1 49 LEU MD1 1 82 ILE MG 1.800 . 5.000 2.249 2.068 3.123 . 0 0 "[ . 1 . 2]" 1
616 1 49 LEU MD1 1 84 ILE MD 1.800 . 5.000 1.882 1.786 2.276 0.014 8 0 "[ . 1 . 2]" 1
617 1 49 LEU MD1 1 84 ILE QG 1.800 . 5.500 2.653 2.083 3.161 . 0 0 "[ . 1 . 2]" 1
618 1 49 LEU MD1 1 92 LEU QB 1.800 . 5.500 3.432 2.912 4.323 . 0 0 "[ . 1 . 2]" 1
619 1 49 LEU MD1 1 92 LEU MD2 1.800 . 5.000 2.845 2.264 4.029 . 0 0 "[ . 1 . 2]" 1
620 1 49 LEU MD2 1 63 MET QB 1.800 . 5.000 2.641 2.397 2.939 . 0 0 "[ . 1 . 2]" 1
621 1 49 LEU MD2 1 63 MET ME 1.800 . 5.000 3.160 1.926 4.295 . 0 0 "[ . 1 . 2]" 1
622 1 49 LEU MD2 1 63 MET QG 1.800 . 5.000 2.019 1.783 2.530 0.017 6 0 "[ . 1 . 2]" 1
623 1 49 LEU MD2 1 82 ILE MG 1.800 . 5.000 3.145 2.405 3.821 . 0 0 "[ . 1 . 2]" 1
624 1 49 LEU MD2 1 97 LEU MD2 1.800 . 5.500 3.827 3.260 5.045 . 0 0 "[ . 1 . 2]" 1
625 1 50 ALA MB 1 62 ARG QB 1.800 . 5.000 2.093 1.791 2.682 0.009 3 0 "[ . 1 . 2]" 1
626 1 50 ALA MB 1 62 ARG QD 1.800 . 5.500 3.501 2.462 4.950 . 0 0 "[ . 1 . 2]" 1
627 1 50 ALA MB 1 62 ARG QG 1.800 . 5.000 3.622 2.520 4.203 . 0 0 "[ . 1 . 2]" 1
628 1 50 ALA MB 1 88 TYR QD 1.800 . 5.000 3.828 3.019 4.719 . 0 0 "[ . 1 . 2]" 1
629 1 50 ALA MB 1 88 TYR QE 1.800 . 5.000 3.354 2.583 4.256 . 0 0 "[ . 1 . 2]" 1
630 1 51 ALA MB 1 59 ILE MG 1.800 . 5.000 2.860 2.054 3.673 . 0 0 "[ . 1 . 2]" 1
631 1 51 ALA MB 1 61 TYR QD 1.800 . 5.000 3.192 2.153 4.722 . 0 0 "[ . 1 . 2]" 1
632 1 51 ALA MB 1 61 TYR QE 1.800 . 5.000 3.548 2.225 4.862 . 0 0 "[ . 1 . 2]" 1
633 1 51 ALA MB 1 88 TYR QD 1.800 . 5.500 2.701 1.950 3.869 . 0 0 "[ . 1 . 2]" 1
634 1 51 ALA MB 1 88 TYR QE 1.800 . 5.500 4.477 3.660 5.528 0.028 17 0 "[ . 1 . 2]" 1
635 1 51 ALA MB 1 91 LEU QB 1.800 . 5.500 2.185 1.803 2.594 . 0 0 "[ . 1 . 2]" 1
636 1 51 ALA MB 1 92 LEU MD1 1.800 . 5.000 2.767 2.185 3.258 . 0 0 "[ . 1 . 2]" 1
637 1 51 ALA MB 1 92 LEU HG 1.800 . 5.500 2.402 1.855 3.558 . 0 0 "[ . 1 . 2]" 1
638 1 53 ARG QB 1 91 LEU MD1 1.800 . 5.500 3.680 1.788 4.786 0.012 7 0 "[ . 1 . 2]" 1
639 1 53 ARG QB 1 91 LEU MD2 1.800 . 5.500 4.541 1.787 5.512 0.013 17 0 "[ . 1 . 2]" 1
640 1 53 ARG QD 1 91 LEU MD2 1.800 . 5.000 3.646 2.167 5.015 0.015 6 0 "[ . 1 . 2]" 1
641 1 53 ARG QG 1 59 ILE QG 1.800 . 5.500 2.954 1.794 4.415 0.006 1 0 "[ . 1 . 2]" 1
642 1 53 ARG QG 1 91 LEU MD2 1.800 . 5.000 3.638 2.278 4.857 . 0 0 "[ . 1 . 2]" 1
643 1 54 ASN QD 1 60 ASP QB 1.800 . 5.500 2.778 1.763 4.356 0.037 19 0 "[ . 1 . 2]" 1
644 1 59 ILE HB 1 61 TYR QE 1.800 . 5.500 3.047 1.800 4.057 . 8 0 "[ . 1 . 2]" 1
645 1 59 ILE MD 1 91 LEU MD2 1.800 . 5.000 2.692 1.792 4.862 0.008 9 0 "[ . 1 . 2]" 1
646 1 59 ILE MD 1 115 ARG QG 1.800 . 5.500 4.662 2.729 5.542 0.042 17 0 "[ . 1 . 2]" 1
647 1 59 ILE QG 1 91 LEU MD1 1.800 . 5.500 3.854 2.645 5.538 0.038 17 0 "[ . 1 . 2]" 1
648 1 59 ILE MG 1 61 TYR QD 1.800 . 5.000 3.446 3.164 3.739 . 0 0 "[ . 1 . 2]" 1
649 1 59 ILE MG 1 61 TYR QE 1.800 . 5.000 2.828 2.218 3.319 . 0 0 "[ . 1 . 2]" 1
650 1 59 ILE MG 1 91 LEU MD1 1.800 . 5.000 2.641 1.806 4.521 . 0 0 "[ . 1 . 2]" 1
651 1 59 ILE MG 1 91 LEU MD2 1.800 . 5.000 3.165 2.388 4.310 . 0 0 "[ . 1 . 2]" 1
652 1 61 TYR QD 1 92 LEU MD2 1.800 . 5.000 2.276 1.788 4.001 0.012 13 0 "[ . 1 . 2]" 1
653 1 61 TYR QD 1 95 THR MG 1.800 . 5.500 3.811 2.890 4.481 . 0 0 "[ . 1 . 2]" 1
654 1 61 TYR QD 1 111 PHE QB 1.800 . 5.500 3.090 1.946 4.643 . 0 0 "[ . 1 . 2]" 1
655 1 61 TYR QE 1 92 LEU MD2 1.800 . 5.000 2.615 1.790 4.135 0.010 20 0 "[ . 1 . 2]" 1
656 1 61 TYR QE 1 95 THR MG 1.800 . 5.500 3.298 1.907 4.453 . 0 0 "[ . 1 . 2]" 1
657 1 61 TYR QE 1 111 PHE QB 1.800 . 5.500 3.490 3.044 4.313 . 0 0 "[ . 1 . 2]" 1
658 1 63 MET ME 1 97 LEU MD1 1.800 . 5.000 2.687 1.892 3.682 . 0 0 "[ . 1 . 2]" 1
659 1 63 MET ME 1 97 LEU MD2 1.800 . 5.000 2.137 1.781 2.801 0.019 15 0 "[ . 1 . 2]" 1
660 1 63 MET ME 1 109 PHE QD 1.800 . 5.500 3.236 2.486 4.460 . 0 0 "[ . 1 . 2]" 1
661 1 63 MET ME 1 109 PHE QE 1.800 . 5.500 3.809 3.172 4.412 . 0 0 "[ . 1 . 2]" 1
662 1 63 MET ME 1 109 PHE HZ 1.800 . 5.000 4.649 3.962 5.030 0.030 7 0 "[ . 1 . 2]" 1
663 1 66 ASP QB 1 83 VAL MG2 1.800 . 5.500 3.827 3.056 4.387 . 0 0 "[ . 1 . 2]" 1
664 1 68 LEU QB 1 83 VAL MG1 1.800 . 5.000 3.752 3.315 4.432 . 0 0 "[ . 1 . 2]" 1
665 1 68 LEU MD1 1 74 ARG QD 1.800 . 5.000 3.704 2.272 4.630 . 0 0 "[ . 1 . 2]" 1
666 1 68 LEU MD2 1 72 ASP QB 1.800 . 5.500 4.310 3.300 5.535 0.035 18 0 "[ . 1 . 2]" 1
667 1 68 LEU MD2 1 74 ARG QB 1.800 . 5.000 4.487 3.342 5.020 0.020 11 0 "[ . 1 . 2]" 1
668 1 68 LEU MD2 1 74 ARG QD 1.800 . 5.000 3.206 1.791 4.390 0.009 7 0 "[ . 1 . 2]" 1
669 1 72 ASP QB 1 83 VAL HB 1.800 . 5.000 2.355 1.777 3.951 0.023 5 0 "[ . 1 . 2]" 1
670 1 72 ASP QB 1 83 VAL MG1 1.800 . 5.500 3.035 2.512 4.632 . 0 0 "[ . 1 . 2]" 1
671 1 72 ASP HB2 1 83 VAL MG2 1.800 . 5.500 4.171 3.472 5.512 0.012 12 0 "[ . 1 . 2]" 1
672 1 73 ILE MD 1 86 PRO QB 1.800 . 5.000 3.507 2.263 4.543 . 0 0 "[ . 1 . 2]" 1
673 1 73 ILE MD 1 86 PRO QD 1.800 . 5.500 3.892 3.040 4.596 . 0 0 "[ . 1 . 2]" 1
674 1 73 ILE MD 1 86 PRO QG 1.800 . 5.000 3.326 2.125 5.007 0.007 20 0 "[ . 1 . 2]" 1
675 1 73 ILE MD 1 89 VAL MG1 1.800 . 5.000 2.750 2.121 3.925 . 0 0 "[ . 1 . 2]" 1
676 1 73 ILE MD 1 89 VAL MG2 1.800 . 5.000 2.031 1.766 4.026 0.034 9 0 "[ . 1 . 2]" 1
677 1 73 ILE QG 1 89 VAL MG1 1.800 . 5.000 4.427 2.737 5.018 0.018 9 0 "[ . 1 . 2]" 1
678 1 73 ILE QG 1 89 VAL MG2 1.800 . 5.000 3.327 2.519 4.738 . 0 0 "[ . 1 . 2]" 1
679 1 73 ILE MG 1 84 ILE MD 1.800 . 5.000 4.345 3.551 4.964 . 0 0 "[ . 1 . 2]" 1
680 1 73 ILE MG 1 89 VAL MG2 1.800 . 5.000 3.491 2.573 4.053 . 0 0 "[ . 1 . 2]" 1
681 1 74 ARG QB 1 83 VAL MG1 1.800 . 5.500 3.321 2.280 4.228 . 0 0 "[ . 1 . 2]" 1
682 1 74 ARG QG 1 83 VAL MG1 1.800 . 5.000 2.502 1.779 3.829 0.021 9 0 "[ . 1 . 2]" 1
683 1 75 LEU QB 1 82 ILE MD 1.800 . 5.000 3.569 2.684 4.874 . 0 0 "[ . 1 . 2]" 1
684 1 75 LEU QB 1 82 ILE MG 1.800 . 5.000 3.332 2.845 4.885 . 0 0 "[ . 1 . 2]" 1
685 1 75 LEU MD1 1 82 ILE MG 1.800 . 5.000 3.739 2.330 5.040 0.040 19 0 "[ . 1 . 2]" 1
686 1 75 LEU MD1 1 84 ILE MD 1.800 . 5.000 3.035 1.922 4.863 . 0 0 "[ . 1 . 2]" 1
687 1 75 LEU MD2 1 82 ILE MG 1.800 . 5.000 3.996 2.418 5.033 0.033 8 0 "[ . 1 . 2]" 1
688 1 75 LEU MD2 1 84 ILE MD 1.800 . 5.000 3.467 2.189 5.012 0.012 10 0 "[ . 1 . 2]" 1
689 1 76 THR MG 1 81 GLU QG 1.800 . 5.000 3.712 1.845 4.589 . 0 0 "[ . 1 . 2]" 1
690 1 77 SER QB 1 82 ILE MD 1.800 . 5.000 3.434 2.422 4.655 . 0 0 "[ . 1 . 2]" 1
691 1 80 VAL HB 1 82 ILE MD 1.800 . 5.500 3.604 3.019 4.662 . 0 0 "[ . 1 . 2]" 1
692 1 81 GLU QB 1 83 VAL MG1 1.800 . 5.500 4.445 2.994 4.992 . 0 0 "[ . 1 . 2]" 1
693 1 81 GLU QG 1 83 VAL MG1 1.800 . 5.500 3.205 2.756 4.851 . 0 0 "[ . 1 . 2]" 1
694 1 81 GLU QG 1 83 VAL MG2 1.800 . 5.500 4.582 4.216 5.580 0.080 16 0 "[ . 1 . 2]" 1
695 1 82 ILE HB 1 84 ILE MD 1.800 . 5.500 3.888 3.178 4.529 . 0 0 "[ . 1 . 2]" 1
696 1 82 ILE MD 1 84 ILE MD 1.800 . 5.500 3.895 3.367 4.503 . 0 0 "[ . 1 . 2]" 1
697 1 82 ILE MG 1 84 ILE MD 1.800 . 5.000 2.380 1.781 2.954 0.019 16 0 "[ . 1 . 2]" 1
698 1 82 ILE MG 1 84 ILE QG 1.800 . 5.500 2.061 1.835 2.934 . 0 0 "[ . 1 . 2]" 1
699 1 84 ILE HB 1 89 VAL MG2 1.800 . 5.500 2.848 2.211 4.273 . 0 0 "[ . 1 . 2]" 1
700 1 84 ILE MD 1 89 VAL MG2 1.800 . 5.500 3.429 2.452 4.244 . 0 0 "[ . 1 . 2]" 1
701 1 84 ILE MD 1 92 LEU MD1 1.800 . 5.000 2.362 1.984 3.234 . 0 0 "[ . 1 . 2]" 1
702 1 84 ILE MG 1 88 TYR QB 1.800 . 5.000 2.216 1.887 2.696 . 0 0 "[ . 1 . 2]" 1
703 1 84 ILE MG 1 88 TYR QD 1.800 . 5.000 3.360 2.778 3.910 . 0 0 "[ . 1 . 2]" 1
704 1 84 ILE MG 1 88 TYR QE 1.800 . 5.500 5.181 4.689 5.529 0.029 9 0 "[ . 1 . 2]" 1
705 1 84 ILE MG 1 89 VAL HB 1.800 . 5.500 3.754 2.124 4.273 . 0 0 "[ . 1 . 2]" 1
706 1 84 ILE MG 1 89 VAL MG2 1.800 . 5.000 2.188 1.946 3.302 . 0 0 "[ . 1 . 2]" 1
707 1 84 ILE MG 1 92 LEU MD1 1.800 . 5.000 1.984 1.779 2.927 0.021 16 0 "[ . 1 . 2]" 1
708 1 85 ALA MB 1 88 TYR QD 1.800 . 5.000 1.976 1.770 2.487 0.030 9 0 "[ . 1 . 2]" 1
709 1 85 ALA MB 1 88 TYR QE 1.800 . 5.000 2.657 2.233 3.060 . 0 0 "[ . 1 . 2]" 1
710 1 86 PRO QB 1 89 VAL MG2 1.800 . 5.500 3.993 3.398 5.509 0.009 7 0 "[ . 1 . 2]" 1
711 1 88 TYR QB 1 92 LEU MD1 1.800 . 5.000 2.326 1.797 3.740 0.003 1 0 "[ . 1 . 2]" 1
712 1 88 TYR QD 1 92 LEU MD1 1.800 . 5.500 3.962 3.412 5.192 . 0 0 "[ . 1 . 2]" 1
713 1 89 VAL MG1 1 93 ASP QB 1.800 . 5.500 3.625 2.199 4.971 . 0 0 "[ . 1 . 2]" 1
714 1 92 LEU MD2 1 95 THR MG 1.800 . 5.000 3.397 2.346 4.053 . 0 0 "[ . 1 . 2]" 1
715 1 92 LEU MD2 1 111 PHE QD 1.800 . 5.500 4.173 2.964 5.115 . 0 0 "[ . 1 . 2]" 1
716 1 95 THR MG 1 111 PHE QB 1.800 . 5.000 2.389 1.854 3.490 . 0 0 "[ . 1 . 2]" 1
717 1 95 THR MG 1 111 PHE QD 1.800 . 5.000 2.391 1.783 3.947 0.017 13 0 "[ . 1 . 2]" 1
718 1 95 THR MG 1 113 ASN QD 1.800 . 5.500 3.427 2.294 5.435 . 0 0 "[ . 1 . 2]" 1
719 1 96 THR HB 1 112 LEU QB 1.800 . 5.000 1.870 1.750 2.176 0.050 3 0 "[ . 1 . 2]" 1
720 1 96 THR HB 1 112 LEU MD1 1.800 . 5.000 3.029 1.792 4.905 0.008 5 0 "[ . 1 . 2]" 1
721 1 96 THR HB 1 112 LEU HG 1.800 . 5.000 3.873 2.874 5.004 0.004 13 0 "[ . 1 . 2]" 1
722 1 96 THR MG 1 98 ASP QB 1.800 . 5.500 3.354 2.747 4.329 . 0 0 "[ . 1 . 2]" 1
723 1 96 THR MG 1 112 LEU QB 1.800 . 5.500 3.232 2.808 3.615 . 0 0 "[ . 1 . 2]" 1
724 1 97 LEU MD1 1 109 PHE QB 1.800 . 5.000 1.915 1.756 3.404 0.044 19 0 "[ . 1 . 2]" 1
725 1 97 LEU MD1 1 109 PHE QD 1.800 . 5.000 2.779 1.929 3.774 . 0 0 "[ . 1 . 2]" 1
726 1 97 LEU MD2 1 109 PHE QD 1.800 . 5.500 3.131 1.965 3.650 . 0 0 "[ . 1 . 2]" 1
727 1 97 LEU MD2 1 109 PHE QE 1.800 . 5.500 3.921 3.242 4.712 . 0 0 "[ . 1 . 2]" 1
728 1 97 LEU HG 1 109 PHE QD 1.800 . 5.500 3.023 2.423 4.045 . 0 0 "[ . 1 . 2]" 1
729 1 98 ASP QB 1 100 VAL MG1 1.800 . 5.000 3.380 2.539 3.956 . 0 0 "[ . 1 . 2]" 1
730 1 98 ASP QB 1 100 VAL MG2 1.800 . 5.500 4.473 3.588 4.905 . 0 0 "[ . 1 . 2]" 1
731 1 98 ASP QB 1 112 LEU MD1 1.800 . 5.000 3.444 2.475 4.676 . 0 0 "[ . 1 . 2]" 1
732 1 98 ASP QB 1 110 ILE MD 1.800 . 5.500 2.818 2.068 3.668 . 0 0 "[ . 1 . 2]" 1
733 1 98 ASP QB 1 110 ILE QG 1.800 . 5.500 2.687 2.052 3.910 . 0 0 "[ . 1 . 2]" 1
734 1 98 ASP QB 1 110 ILE MG 1.800 . 5.000 4.638 1.953 5.025 0.025 4 0 "[ . 1 . 2]" 1
735 1 99 TYR QE 1 107 PHE QB 1.800 . 5.500 3.408 2.405 4.553 . 0 0 "[ . 1 . 2]" 1
736 1 99 TYR QE 1 107 PHE QD 1.800 . 5.000 3.167 2.403 3.746 . 0 0 "[ . 1 . 2]" 1
737 1 100 VAL HB 1 102 LEU MD2 1.800 . 5.500 3.630 3.149 4.517 . 0 0 "[ . 1 . 2]" 1
738 1 100 VAL HB 1 110 ILE MD 1.800 . 5.500 4.141 3.850 4.677 . 0 0 "[ . 1 . 2]" 1
739 1 100 VAL HB 1 110 ILE MG 1.800 . 5.500 4.563 4.284 4.930 . 0 0 "[ . 1 . 2]" 1
740 1 100 VAL MG1 1 110 ILE HB 1.800 . 5.500 5.180 4.740 5.531 0.031 19 0 "[ . 1 . 2]" 1
741 1 100 VAL MG1 1 110 ILE MD 1.800 . 5.000 2.463 2.102 3.567 . 0 0 "[ . 1 . 2]" 1
742 1 100 VAL MG1 1 110 ILE QG 1.800 . 5.000 3.170 2.617 5.007 0.007 1 0 "[ . 1 . 2]" 1
743 1 100 VAL MG2 1 108 HIS HD2 1.800 . 5.000 4.452 3.284 5.034 0.034 8 0 "[ . 1 . 2]" 1
744 1 100 VAL MG2 1 110 ILE HB 1.800 . 5.500 4.042 2.754 4.394 . 0 0 "[ . 1 . 2]" 1
745 1 100 VAL MG2 1 110 ILE MD 1.800 . 5.000 2.097 1.953 2.366 . 0 0 "[ . 1 . 2]" 1
746 1 100 VAL MG2 1 110 ILE QG 1.800 . 5.000 2.672 2.115 3.766 . 0 0 "[ . 1 . 2]" 1
747 1 100 VAL MG2 1 110 ILE MG 1.800 . 5.000 2.079 1.787 2.341 0.013 1 0 "[ . 1 . 2]" 1
748 1 101 GLU QB 1 107 PHE QE 1.800 . 5.000 3.051 2.416 4.612 . 0 0 "[ . 1 . 2]" 1
749 1 102 LEU QB 1 108 HIS HD2 1.800 . 5.000 3.370 1.987 4.659 . 0 0 "[ . 1 . 2]" 1
750 1 102 LEU QB 1 106 GLN QB 1.800 . 5.500 4.654 3.798 5.410 . 0 0 "[ . 1 . 2]" 1
751 1 102 LEU QB 1 108 HIS QB 1.800 . 5.500 3.158 1.792 4.128 0.008 19 0 "[ . 1 . 2]" 1
752 1 102 LEU MD1 1 108 HIS QB 1.800 . 5.500 2.628 2.019 3.860 . 0 0 "[ . 1 . 2]" 1
753 1 102 LEU MD1 1 108 HIS HD2 1.800 . 5.500 3.000 2.019 3.964 . 0 0 "[ . 1 . 2]" 1
754 1 102 LEU MD1 1 110 ILE MD 1.800 . 5.000 4.292 2.321 5.023 0.023 4 0 "[ . 1 . 2]" 1
755 1 102 LEU MD1 1 110 ILE MG 1.800 . 5.000 2.608 1.944 4.137 . 0 0 "[ . 1 . 2]" 1
756 1 102 LEU MD2 1 110 ILE HB 1.800 . 5.500 4.998 3.776 5.547 0.047 18 0 "[ . 1 . 2]" 1
757 1 102 LEU MD2 1 110 ILE QG 1.800 . 5.500 4.855 3.593 5.317 . 0 0 "[ . 1 . 2]" 1
758 1 102 LEU MD2 1 110 ILE MG 1.800 . 5.000 2.838 1.797 3.826 0.003 19 0 "[ . 1 . 2]" 1
759 1 102 LEU HG 1 108 HIS QB 1.800 . 5.000 2.644 2.207 3.196 . 0 0 "[ . 1 . 2]" 1
760 1 103 GLU QB 1 106 GLN QB 1.800 . 5.500 2.049 1.772 2.673 0.028 8 0 "[ . 1 . 2]" 1
761 1 103 GLU QB 1 106 GLN QG 1.800 . 5.500 3.248 2.759 4.216 . 0 0 "[ . 1 . 2]" 1
762 1 103 GLU QG 1 106 GLN QB 1.800 . 5.500 3.800 3.338 4.402 . 0 0 "[ . 1 . 2]" 1
763 1 103 GLU QG 1 106 GLN QG 1.800 . 5.500 4.625 3.447 5.516 0.016 6 0 "[ . 1 . 2]" 1
764 1 104 PRO QD 1 106 GLN QB 1.800 . 5.500 4.896 4.315 5.482 . 0 0 "[ . 1 . 2]" 1
765 1 108 HIS QB 1 110 ILE MG 1.800 . 5.500 3.412 2.603 4.582 . 0 0 "[ . 1 . 2]" 1
766 1 110 ILE MD 1 112 LEU QB 1.800 . 5.500 4.458 3.226 5.091 . 0 0 "[ . 1 . 2]" 1
767 1 112 LEU MD2 1 119 TYR QD 1.800 . 5.000 3.773 2.298 5.005 0.005 12 0 "[ . 1 . 2]" 1
768 1 112 LEU MD2 1 119 TYR QE 1.800 . 5.000 3.445 2.016 5.012 0.012 11 0 "[ . 1 . 2]" 1
769 1 22 MET ME 1 22 MET QG 1.800 . 5.500 2.358 2.218 2.500 . 0 0 "[ . 1 . 2]" 1
770 1 22 MET H 1 22 MET QG 1.800 . 5.000 2.770 2.371 4.069 . 0 0 "[ . 1 . 2]" 1
771 1 23 PHE HA 1 23 PHE QD 1.800 . 5.500 2.768 2.389 2.955 . 0 0 "[ . 1 . 2]" 1
772 1 24 LYS H 1 24 LYS QD 1.800 . 5.500 4.317 3.961 4.958 . 0 0 "[ . 1 . 2]" 1
773 1 24 LYS H 1 24 LYS QG 1.800 . 5.500 3.209 2.296 4.130 . 0 0 "[ . 1 . 2]" 1
774 1 25 LEU QB 1 25 LEU MD1 1.800 . 5.500 2.111 2.072 2.314 . 0 0 "[ . 1 . 2]" 1
775 1 25 LEU QB 1 25 LEU MD2 1.800 . 5.500 2.261 2.072 2.390 . 0 0 "[ . 1 . 2]" 1
776 1 25 LEU H 1 25 LEU MD1 1.800 . 5.500 4.019 1.994 4.614 . 0 0 "[ . 1 . 2]" 1
777 1 25 LEU H 1 25 LEU MD2 1.800 . 5.500 4.204 3.661 4.357 . 0 0 "[ . 1 . 2]" 1
778 1 25 LEU H 1 25 LEU HG 1.800 . 5.000 4.250 2.019 4.678 . 0 0 "[ . 1 . 2]" 1
779 1 26 THR HG1 1 26 THR MG 1.800 . 5.500 2.209 2.107 2.956 . 0 0 "[ . 1 . 2]" 1
780 1 26 THR H 1 26 THR HG1 1.800 . 5.000 2.926 2.037 3.340 . 0 0 "[ . 1 . 2]" 1
781 1 26 THR H 1 26 THR MG 1.800 . 5.500 2.471 2.148 3.749 . 0 0 "[ . 1 . 2]" 1
782 1 31 GLU H 1 31 GLU QG 1.800 . 5.000 3.493 2.308 3.998 . 0 0 "[ . 1 . 2]" 1
783 1 32 GLN H 1 32 GLN QG 1.800 . 5.000 4.002 3.959 4.073 . 0 0 "[ . 1 . 2]" 1
784 1 33 VAL H 1 33 VAL HB 1.800 . 3.500 2.565 2.530 2.606 . 0 0 "[ . 1 . 2]" 1
785 1 33 VAL H 1 33 VAL MG1 1.800 . 5.500 3.775 3.766 3.783 . 0 0 "[ . 1 . 2]" 1
786 1 33 VAL H 1 33 VAL MG2 1.800 . 5.500 2.053 1.991 2.122 . 0 0 "[ . 1 . 2]" 1
787 1 34 LEU HA 1 34 LEU MD1 1.800 . 5.500 2.196 1.999 3.813 . 0 0 "[ . 1 . 2]" 1
788 1 34 LEU HA 1 34 LEU MD2 1.800 . 4.000 3.784 1.901 3.915 . 0 0 "[ . 1 . 2]" 1
789 1 34 LEU QB 1 34 LEU MD1 1.800 . 5.500 2.276 2.094 2.318 . 0 0 "[ . 1 . 2]" 1
790 1 34 LEU QB 1 34 LEU MD2 1.800 . 5.500 2.103 2.083 2.304 . 0 0 "[ . 1 . 2]" 1
791 1 34 LEU H 1 34 LEU MD1 1.800 . 5.500 3.957 2.425 4.134 . 0 0 "[ . 1 . 2]" 1
792 1 34 LEU H 1 34 LEU MD2 1.800 . 5.500 4.194 3.560 4.269 . 0 0 "[ . 1 . 2]" 1
793 1 34 LEU H 1 34 LEU HG 1.800 . 5.000 4.358 2.581 4.521 . 0 0 "[ . 1 . 2]" 1
794 1 35 LYS HA 1 35 LYS QD 1.800 . 5.500 3.907 2.202 4.084 . 0 0 "[ . 1 . 2]" 1
795 1 35 LYS QB 1 35 LYS QD 1.800 . 5.500 2.139 2.081 2.338 . 0 0 "[ . 1 . 2]" 1
796 1 35 LYS QB 1 35 LYS QE 1.800 . 5.500 3.416 1.907 3.841 . 0 0 "[ . 1 . 2]" 1
797 1 35 LYS H 1 35 LYS QB 1.800 . 3.500 2.218 2.093 2.271 . 0 0 "[ . 1 . 2]" 1
798 1 35 LYS H 1 35 LYS QD 1.800 . 5.500 4.351 4.158 4.695 . 0 0 "[ . 1 . 2]" 1
799 1 35 LYS H 1 35 LYS QG 1.800 . 5.000 3.959 3.858 4.013 . 0 0 "[ . 1 . 2]" 1
800 1 38 LYS HA 1 38 LYS QD 1.800 . 5.500 3.795 1.952 4.073 . 0 0 "[ . 1 . 2]" 1
801 1 38 LYS QB 1 38 LYS QD 1.800 . 5.500 2.137 2.101 2.352 . 0 0 "[ . 1 . 2]" 1
802 1 38 LYS QB 1 38 LYS QE 1.800 . 5.500 3.579 3.516 3.791 . 0 0 "[ . 1 . 2]" 1
803 1 38 LYS H 1 38 LYS QB 1.800 . 3.500 2.266 2.199 2.495 . 0 0 "[ . 1 . 2]" 1
804 1 38 LYS H 1 38 LYS QD 1.800 . 5.500 4.205 3.595 4.406 . 0 0 "[ . 1 . 2]" 1
805 1 38 LYS H 1 38 LYS QG 1.800 . 5.000 3.633 2.108 4.046 . 0 0 "[ . 1 . 2]" 1
806 1 39 GLN HA 1 39 GLN QE 1.800 . 5.500 4.261 1.715 4.730 0.085 9 0 "[ . 1 . 2]" 1
807 1 39 GLN QB 1 39 GLN QE 1.800 . 5.500 3.346 1.765 3.724 0.035 7 0 "[ . 1 . 2]" 1
808 1 39 GLN H 1 39 GLN QB 1.800 . 3.500 2.439 2.310 2.664 . 0 0 "[ . 1 . 2]" 1
809 1 39 GLN H 1 39 GLN QG 1.800 . 5.000 2.263 1.876 2.595 . 0 0 "[ . 1 . 2]" 1
810 1 42 THR H 1 42 THR MG 1.800 . 5.500 2.776 2.500 3.913 . 0 0 "[ . 1 . 2]" 1
811 1 43 GLU H 1 43 GLU QG 1.800 . 5.500 3.404 1.937 3.994 . 0 0 "[ . 1 . 2]" 1
812 1 45 MET QB 1 45 MET ME 1.800 . 5.500 2.044 1.948 2.135 . 0 0 "[ . 1 . 2]" 1
813 1 45 MET ME 1 45 MET QG 1.800 . 5.500 2.416 2.379 2.479 . 0 0 "[ . 1 . 2]" 1
814 1 45 MET H 1 45 MET QB 1.800 . 3.500 2.536 2.406 2.732 . 0 0 "[ . 1 . 2]" 1
815 1 45 MET H 1 45 MET QG 1.800 . 5.500 2.724 2.319 4.090 . 0 0 "[ . 1 . 2]" 1
816 1 47 LEU HA 1 47 LEU MD1 1.800 . 4.000 2.038 1.934 2.122 . 0 0 "[ . 1 . 2]" 1
817 1 47 LEU HA 1 47 LEU MD2 1.800 . 5.500 3.874 3.839 3.907 . 0 0 "[ . 1 . 2]" 1
818 1 47 LEU QB 1 47 LEU MD1 1.800 . 5.500 2.289 2.241 2.316 . 0 0 "[ . 1 . 2]" 1
819 1 47 LEU QB 1 47 LEU MD2 1.800 . 5.500 2.098 2.089 2.105 . 0 0 "[ . 1 . 2]" 1
820 1 47 LEU H 1 47 LEU QB 1.800 . 3.500 2.282 2.236 2.347 . 0 0 "[ . 1 . 2]" 1
821 1 47 LEU H 1 47 LEU MD1 1.800 . 5.500 4.130 3.991 4.206 . 0 0 "[ . 1 . 2]" 1
822 1 47 LEU H 1 47 LEU MD2 1.800 . 5.500 4.301 4.253 4.366 . 0 0 "[ . 1 . 2]" 1
823 1 49 LEU HA 1 49 LEU MD1 1.800 . 5.500 3.832 3.784 3.870 . 0 0 "[ . 1 . 2]" 1
824 1 49 LEU HA 1 49 LEU MD2 1.800 . 4.000 2.014 1.920 2.151 . 0 0 "[ . 1 . 2]" 1
825 1 49 LEU QB 1 49 LEU MD1 1.800 . 5.500 2.091 2.085 2.097 . 0 0 "[ . 1 . 2]" 1
826 1 49 LEU QB 1 49 LEU MD2 1.800 . 5.500 2.348 2.297 2.404 . 0 0 "[ . 1 . 2]" 1
827 1 49 LEU H 1 49 LEU MD1 1.800 . 5.500 3.940 3.825 4.076 . 0 0 "[ . 1 . 2]" 1
828 1 49 LEU H 1 49 LEU MD2 1.800 . 5.500 3.500 3.261 3.696 . 0 0 "[ . 1 . 2]" 1
829 1 49 LEU H 1 49 LEU HG 1.800 . 5.000 2.730 2.457 2.936 . 0 0 "[ . 1 . 2]" 1
830 1 53 ARG H 1 53 ARG QG 1.800 . 5.500 3.154 1.985 4.014 . 0 0 "[ . 1 . 2]" 1
831 1 54 ASN H 1 54 ASN QD 1.800 . 5.000 3.108 2.164 4.876 . 0 0 "[ . 1 . 2]" 1
832 1 59 ILE HA 1 59 ILE MD 1.800 . 5.500 3.866 3.828 3.924 . 0 0 "[ . 1 . 2]" 1
833 1 59 ILE H 1 59 ILE MD 1.800 . 5.500 3.802 3.615 4.122 . 0 0 "[ . 1 . 2]" 1
834 1 59 ILE H 1 59 ILE QG 1.800 . 5.000 2.418 2.091 2.887 . 0 0 "[ . 1 . 2]" 1
835 1 61 TYR HA 1 61 TYR QD 1.800 . 5.500 2.754 2.176 3.095 . 0 0 "[ . 1 . 2]" 1
836 1 61 TYR H 1 61 TYR QD 1.800 . 5.500 2.897 2.320 3.579 . 0 0 "[ . 1 . 2]" 1
837 1 62 ARG H 1 62 ARG QG 1.800 . 5.500 3.267 2.220 4.133 . 0 0 "[ . 1 . 2]" 1
838 1 63 MET QB 1 63 MET ME 1.800 . 5.500 1.995 1.900 2.142 . 0 0 "[ . 1 . 2]" 1
839 1 63 MET ME 1 63 MET QG 1.800 . 5.500 2.464 2.389 2.512 . 0 0 "[ . 1 . 2]" 1
840 1 63 MET H 1 63 MET QG 1.800 . 5.000 3.250 2.369 4.054 . 0 0 "[ . 1 . 2]" 1
841 1 65 PHE HA 1 65 PHE QD 1.800 . 5.500 2.874 2.719 3.007 . 0 0 "[ . 1 . 2]" 1
842 1 65 PHE H 1 65 PHE QD 1.800 . 5.500 2.557 2.328 2.863 . 0 0 "[ . 1 . 2]" 1
843 1 68 LEU HA 1 68 LEU MD1 1.800 . 5.500 3.730 3.587 3.849 . 0 0 "[ . 1 . 2]" 1
844 1 68 LEU HA 1 68 LEU MD2 1.800 . 5.500 2.822 1.954 3.179 . 0 0 "[ . 1 . 2]" 1
845 1 68 LEU QB 1 68 LEU MD2 1.800 . 5.500 2.252 2.195 2.291 . 0 0 "[ . 1 . 2]" 1
846 1 68 LEU H 1 68 LEU QB 1.800 . 3.500 2.330 2.190 2.622 . 0 0 "[ . 1 . 2]" 1
847 1 68 LEU H 1 68 LEU MD1 1.800 . 5.500 4.252 3.869 4.642 . 0 0 "[ . 1 . 2]" 1
848 1 68 LEU H 1 68 LEU HG 1.800 . 5.000 4.282 2.879 4.722 . 0 0 "[ . 1 . 2]" 1
849 1 69 THR H 1 69 THR MG 1.800 . 5.500 3.424 2.355 3.956 . 0 0 "[ . 1 . 2]" 1
850 1 70 GLU H 1 70 GLU QG 1.800 . 5.500 2.737 2.015 4.172 . 0 0 "[ . 1 . 2]" 1
851 1 73 ILE HA 1 73 ILE MD 1.800 . 5.500 3.715 2.052 3.848 . 0 0 "[ . 1 . 2]" 1
852 1 73 ILE H 1 73 ILE MD 1.800 . 5.500 3.723 3.285 3.976 . 0 0 "[ . 1 . 2]" 1
853 1 73 ILE H 1 73 ILE QG 1.800 . 5.500 2.316 2.117 2.686 . 0 0 "[ . 1 . 2]" 1
854 1 74 ARG H 1 74 ARG QG 1.800 . 5.000 2.970 2.223 4.025 . 0 0 "[ . 1 . 2]" 1
855 1 75 LEU HA 1 75 LEU MD1 1.800 . 4.000 3.263 2.064 4.059 0.059 7 0 "[ . 1 . 2]" 1
856 1 75 LEU QB 1 75 LEU MD2 1.800 . 5.500 2.206 2.075 2.338 . 0 0 "[ . 1 . 2]" 1
857 1 75 LEU QB 1 75 LEU MD1 1.800 . 5.500 2.150 2.044 2.299 . 0 0 "[ . 1 . 2]" 1
858 1 75 LEU H 1 75 LEU MD1 1.800 . 5.500 4.132 3.862 4.401 . 0 0 "[ . 1 . 2]" 1
859 1 75 LEU H 1 75 LEU MD2 1.800 . 5.500 3.849 2.116 4.580 . 0 0 "[ . 1 . 2]" 1
860 1 75 LEU H 1 75 LEU HG 1.800 . 5.000 3.510 2.632 4.583 . 0 0 "[ . 1 . 2]" 1
861 1 76 THR H 1 76 THR HB 1.800 . 3.500 2.692 2.556 2.924 . 0 0 "[ . 1 . 2]" 1
862 1 76 THR H 1 76 THR MG 1.800 . 5.500 3.848 3.758 3.972 . 0 0 "[ . 1 . 2]" 1
863 1 78 GLU H 1 78 GLU QG 1.800 . 5.000 3.124 2.108 4.513 . 0 0 "[ . 1 . 2]" 1
864 1 80 VAL H 1 80 VAL HB 1.800 . 3.500 2.637 2.529 2.887 . 0 0 "[ . 1 . 2]" 1
865 1 80 VAL H 1 80 VAL MG1 1.800 . 5.500 3.840 3.773 3.941 . 0 0 "[ . 1 . 2]" 1
866 1 80 VAL H 1 80 VAL MG2 1.800 . 5.500 2.466 2.108 3.023 . 0 0 "[ . 1 . 2]" 1
867 1 81 GLU H 1 81 GLU QG 1.800 . 5.000 3.832 2.056 4.070 . 0 0 "[ . 1 . 2]" 1
868 1 82 ILE HA 1 82 ILE MD 1.800 . 5.500 3.451 2.157 3.917 . 0 0 "[ . 1 . 2]" 1
869 1 82 ILE H 1 82 ILE HB 1.800 . 3.500 2.644 2.506 2.741 . 0 0 "[ . 1 . 2]" 1
870 1 82 ILE H 1 82 ILE MD 1.800 . 5.500 3.763 3.317 4.082 . 0 0 "[ . 1 . 2]" 1
871 1 82 ILE H 1 82 ILE QG 1.800 . 5.500 2.547 2.273 2.850 . 0 0 "[ . 1 . 2]" 1
872 1 83 VAL HA 1 83 VAL MG1 1.800 . 3.000 2.258 2.193 2.290 . 0 0 "[ . 1 . 2]" 1
873 1 83 VAL H 1 83 VAL MG1 1.800 . 5.500 3.032 2.810 3.226 . 0 0 "[ . 1 . 2]" 1
874 1 83 VAL H 1 83 VAL MG2 1.800 . 5.500 2.051 1.874 2.172 . 0 0 "[ . 1 . 2]" 1
875 1 84 ILE H 1 84 ILE MD 1.800 . 5.500 3.989 2.363 4.217 . 0 0 "[ . 1 . 2]" 1
876 1 84 ILE H 1 84 ILE QG 1.800 . 5.000 2.816 2.668 3.403 . 0 0 "[ . 1 . 2]" 1
877 1 88 TYR H 1 88 TYR QD 1.800 . 5.500 2.857 1.882 3.247 . 0 0 "[ . 1 . 2]" 1
878 1 89 VAL H 1 89 VAL HB 1.800 . 2.900 2.498 2.238 2.601 . 0 0 "[ . 1 . 2]" 1
879 1 89 VAL H 1 89 VAL MG1 1.800 . 5.500 3.481 2.178 3.779 . 0 0 "[ . 1 . 2]" 1
880 1 89 VAL H 1 89 VAL MG2 1.800 . 5.500 2.391 1.953 3.767 . 0 0 "[ . 1 . 2]" 1
881 1 91 LEU HA 1 91 LEU MD1 1.800 . 5.500 3.867 3.852 3.889 . 0 0 "[ . 1 . 2]" 1
882 1 91 LEU HA 1 91 LEU MD2 1.800 . 4.000 2.042 1.996 2.109 . 0 0 "[ . 1 . 2]" 1
883 1 91 LEU QB 1 91 LEU MD1 1.800 . 5.500 2.094 2.089 2.101 . 0 0 "[ . 1 . 2]" 1
884 1 91 LEU H 1 91 LEU MD1 1.800 . 5.500 3.978 3.772 4.190 . 0 0 "[ . 1 . 2]" 1
885 1 91 LEU H 1 91 LEU MD2 1.800 . 5.500 3.723 3.502 3.931 . 0 0 "[ . 1 . 2]" 1
886 1 91 LEU H 1 91 LEU HG 1.800 . 5.000 2.894 2.573 3.220 . 0 0 "[ . 1 . 2]" 1
887 1 92 LEU HA 1 92 LEU MD2 1.800 . 4.000 2.047 1.887 2.583 . 0 0 "[ . 1 . 2]" 1
888 1 92 LEU QB 1 92 LEU MD1 1.800 . 5.500 2.093 2.087 2.098 . 0 0 "[ . 1 . 2]" 1
889 1 92 LEU QB 1 92 LEU MD2 1.800 . 5.500 2.272 2.204 2.325 . 0 0 "[ . 1 . 2]" 1
890 1 92 LEU H 1 92 LEU MD1 1.800 . 5.500 3.907 3.462 4.693 . 0 0 "[ . 1 . 2]" 1
891 1 92 LEU H 1 92 LEU MD2 1.800 . 5.500 3.871 3.557 4.336 . 0 0 "[ . 1 . 2]" 1
892 1 92 LEU H 1 92 LEU HG 1.800 . 5.000 3.019 2.479 4.685 . 0 0 "[ . 1 . 2]" 1
893 1 94 GLN H 1 94 GLN QG 1.800 . 5.500 2.997 2.642 4.547 . 0 0 "[ . 1 . 2]" 1
894 1 95 THR H 1 95 THR MG 1.800 . 5.500 3.583 2.517 3.955 . 0 0 "[ . 1 . 2]" 1
895 1 96 THR H 1 96 THR HB 1.800 . 3.500 2.620 2.458 2.760 . 0 0 "[ . 1 . 2]" 1
896 1 96 THR H 1 96 THR MG 1.800 . 5.500 3.826 3.767 3.904 . 0 0 "[ . 1 . 2]" 1
897 1 97 LEU HA 1 97 LEU MD1 1.800 . 4.000 2.180 2.003 3.681 . 0 0 "[ . 1 . 2]" 1
898 1 97 LEU QB 1 97 LEU MD2 1.800 . 5.500 2.100 2.086 2.221 . 0 0 "[ . 1 . 2]" 1
899 1 97 LEU H 1 97 LEU MD2 1.800 . 5.500 4.361 4.116 4.478 . 0 0 "[ . 1 . 2]" 1
900 1 97 LEU H 1 97 LEU HG 1.800 . 5.000 4.426 4.316 4.635 . 0 0 "[ . 1 . 2]" 1
901 1 100 VAL HA 1 100 VAL MG1 1.800 . 3.000 2.349 2.313 2.415 . 0 0 "[ . 1 . 2]" 1
902 1 100 VAL H 1 100 VAL MG1 1.800 . 5.500 3.032 2.794 3.181 . 0 0 "[ . 1 . 2]" 1
903 1 100 VAL H 1 100 VAL MG2 1.800 . 5.500 2.246 2.071 2.360 . 0 0 "[ . 1 . 2]" 1
904 1 101 GLU H 1 101 GLU QB 1.800 . 3.500 2.435 2.229 3.007 . 0 0 "[ . 1 . 2]" 1
905 1 101 GLU H 1 101 GLU QG 1.800 . 5.500 3.483 1.784 4.043 0.016 9 0 "[ . 1 . 2]" 1
906 1 102 LEU HA 1 102 LEU MD1 1.800 . 5.500 3.759 1.966 3.913 . 0 0 "[ . 1 . 2]" 1
907 1 102 LEU HA 1 102 LEU MD2 1.800 . 5.500 2.052 1.956 2.666 . 0 0 "[ . 1 . 2]" 1
908 1 102 LEU QB 1 102 LEU MD1 1.800 . 5.500 2.105 2.088 2.308 . 0 0 "[ . 1 . 2]" 1
909 1 102 LEU QB 1 102 LEU MD2 1.800 . 5.500 2.325 2.284 2.400 . 0 0 "[ . 1 . 2]" 1
910 1 102 LEU H 1 102 LEU MD1 1.800 . 5.500 3.683 3.540 3.846 . 0 0 "[ . 1 . 2]" 1
911 1 102 LEU H 1 102 LEU MD2 1.800 . 5.500 3.263 2.303 3.498 . 0 0 "[ . 1 . 2]" 1
912 1 102 LEU H 1 102 LEU HG 1.800 . 5.000 2.437 2.174 4.091 . 0 0 "[ . 1 . 2]" 1
913 1 103 GLU H 1 103 GLU QG 1.800 . 5.000 3.064 2.391 4.287 . 0 0 "[ . 1 . 2]" 1
914 1 106 GLN QB 1 106 GLN QE 1.800 . 5.500 3.360 2.640 3.734 . 0 0 "[ . 1 . 2]" 1
915 1 106 GLN H 1 106 GLN QG 1.800 . 5.000 3.453 2.652 4.147 . 0 0 "[ . 1 . 2]" 1
916 1 107 PHE H 1 107 PHE QD 1.800 . 5.500 2.571 2.280 2.930 . 0 0 "[ . 1 . 2]" 1
917 1 108 HIS H 1 108 HIS HD2 1.800 . 5.000 4.024 2.929 5.046 0.046 2 0 "[ . 1 . 2]" 1
918 1 109 PHE HA 1 109 PHE QD 1.800 . 5.500 2.821 2.509 3.005 . 0 0 "[ . 1 . 2]" 1
919 1 109 PHE H 1 109 PHE QD 1.800 . 5.500 2.497 2.297 2.924 . 0 0 "[ . 1 . 2]" 1
920 1 110 ILE HA 1 110 ILE MD 1.800 . 5.500 4.169 3.790 4.195 . 0 0 "[ . 1 . 2]" 1
921 1 110 ILE H 1 110 ILE MD 1.800 . 5.500 3.848 3.746 4.594 . 0 0 "[ . 1 . 2]" 1
922 1 110 ILE H 1 110 ILE QG 1.800 . 5.000 2.191 2.020 4.015 . 0 0 "[ . 1 . 2]" 1
923 1 111 PHE HA 1 111 PHE QD 1.800 . 5.500 2.983 2.843 3.115 . 0 0 "[ . 1 . 2]" 1
924 1 111 PHE H 1 111 PHE QD 1.800 . 5.500 2.473 2.226 2.752 . 0 0 "[ . 1 . 2]" 1
925 1 112 LEU HA 1 112 LEU MD2 1.800 . 4.000 2.352 1.974 3.879 . 0 0 "[ . 1 . 2]" 1
926 1 112 LEU QB 1 112 LEU MD1 1.800 . 5.500 2.126 2.075 2.323 . 0 0 "[ . 1 . 2]" 1
927 1 112 LEU QB 1 112 LEU MD2 1.800 . 5.500 2.248 2.082 2.309 . 0 0 "[ . 1 . 2]" 1
928 1 112 LEU H 1 112 LEU MD1 1.800 . 5.500 3.721 3.541 4.297 . 0 0 "[ . 1 . 2]" 1
929 1 112 LEU H 1 112 LEU MD2 1.800 . 5.500 3.691 3.260 4.275 . 0 0 "[ . 1 . 2]" 1
930 1 112 LEU H 1 112 LEU HG 1.800 . 5.000 2.894 2.166 4.580 . 0 0 "[ . 1 . 2]" 1
931 1 115 ARG HA 1 115 ARG QD 1.800 . 5.500 3.944 2.120 4.235 . 0 0 "[ . 1 . 2]" 1
932 1 115 ARG H 1 115 ARG QG 1.800 . 5.500 2.902 2.040 4.136 . 0 0 "[ . 1 . 2]" 1
933 1 118 THR H 1 118 THR MG 1.800 . 5.500 3.614 2.691 3.911 . 0 0 "[ . 1 . 2]" 1
934 1 119 TYR HA 1 119 TYR QD 1.800 . 5.500 2.901 2.499 3.712 . 0 0 "[ . 1 . 2]" 1
935 1 119 TYR H 1 119 TYR QD 1.800 . 5.500 3.292 2.461 4.568 . 0 0 "[ . 1 . 2]" 1
936 1 120 ARG H 1 120 ARG QG 1.800 . 5.500 3.507 2.028 4.296 . 0 0 "[ . 1 . 2]" 1
937 1 85 ALA MB 1 86 PRO HD3 1.800 . 5.000 3.280 3.007 3.802 . 0 0 "[ . 1 . 2]" 1
938 1 85 ALA MB 1 86 PRO QD 1.800 . 5.000 2.351 1.990 2.534 . 0 0 "[ . 1 . 2]" 1
939 1 85 ALA MB 1 86 PRO HD2 1.800 . 5.000 2.417 2.003 2.634 . 0 0 "[ . 1 . 2]" 1
940 1 85 ALA MB 1 86 PRO QG 1.800 . 5.000 4.010 3.281 4.266 . 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 41
_Distance_constraint_stats_list.Viol_count 72
_Distance_constraint_stats_list.Viol_total 18.591
_Distance_constraint_stats_list.Viol_max 0.047
_Distance_constraint_stats_list.Viol_rms 0.0050
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0129
_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 24 LYS 0.026 0.009 19 0 "[ . 1 . 2]"
1 26 THR 0.068 0.036 13 0 "[ . 1 . 2]"
1 29 ALA 0.014 0.014 2 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.053 0.040 2 0 "[ . 1 . 2]"
1 32 GLN 0.049 0.021 20 0 "[ . 1 . 2]"
1 33 VAL 0.014 0.014 2 0 "[ . 1 . 2]"
1 34 LEU 0.021 0.019 2 0 "[ . 1 . 2]"
1 35 LYS 0.233 0.043 11 0 "[ . 1 . 2]"
1 36 ALA 0.049 0.021 20 0 "[ . 1 . 2]"
1 38 LYS 0.021 0.019 2 0 "[ . 1 . 2]"
1 39 GLN 0.180 0.043 11 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ARG 0.132 0.043 5 0 "[ . 1 . 2]"
1 50 ALA 0.006 0.003 16 0 "[ . 1 . 2]"
1 52 GLY 0.011 0.005 4 0 "[ . 1 . 2]"
1 60 ASP 0.011 0.005 4 0 "[ . 1 . 2]"
1 62 ARG 0.006 0.003 16 0 "[ . 1 . 2]"
1 64 GLY 0.132 0.043 5 0 "[ . 1 . 2]"
1 83 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ALA 0.194 0.041 14 0 "[ . 1 . 2]"
1 89 VAL 0.194 0.041 14 0 "[ . 1 . 2]"
1 95 THR 0.022 0.009 19 0 "[ . 1 . 2]"
1 96 THR 0.019 0.018 12 0 "[ . 1 . 2]"
1 97 LEU 0.072 0.036 13 0 "[ . 1 . 2]"
1 98 ASP 0.155 0.047 14 0 "[ . 1 . 2]"
1 110 ILE 0.155 0.047 14 0 "[ . 1 . 2]"
1 112 LEU 0.019 0.018 12 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 LYS O 1 97 LEU H 1.700 . 2.300 1.762 1.696 1.883 0.004 5 0 "[ . 1 . 2]" 2
2 1 26 THR O 1 30 ALA N 2.700 2.700 3.300 2.831 2.724 3.068 . 0 0 "[ . 1 . 2]" 2
3 1 26 THR O 1 30 ALA H 1.700 . 2.300 1.894 1.771 2.182 . 0 0 "[ . 1 . 2]" 2
4 1 29 ALA O 1 33 VAL N 2.700 2.700 3.300 2.975 2.777 3.270 . 0 0 "[ . 1 . 2]" 2
5 1 29 ALA O 1 33 VAL H 1.700 . 2.300 2.032 1.820 2.314 0.014 2 0 "[ . 1 . 2]" 2
6 1 30 ALA O 1 34 LEU N 2.700 2.700 3.300 2.850 2.711 3.078 . 0 0 "[ . 1 . 2]" 2
7 1 30 ALA O 1 34 LEU H 1.700 . 2.300 1.912 1.793 2.132 . 0 0 "[ . 1 . 2]" 2
8 1 31 GLU O 1 35 LYS N 2.700 2.700 3.300 2.806 2.660 3.040 0.040 2 0 "[ . 1 . 2]" 2
9 1 31 GLU O 1 35 LYS H 1.700 . 2.300 1.947 1.788 2.161 . 0 0 "[ . 1 . 2]" 2
10 1 32 GLN O 1 36 ALA N 2.700 2.700 3.300 3.024 2.813 3.238 . 0 0 "[ . 1 . 2]" 2
11 1 32 GLN O 1 36 ALA H 1.700 . 2.300 2.118 1.898 2.321 0.021 20 0 "[ . 1 . 2]" 2
12 1 34 LEU O 1 38 LYS N 2.700 2.700 3.300 2.805 2.681 3.110 0.019 2 0 "[ . 1 . 2]" 2
13 1 34 LEU O 1 38 LYS H 1.700 . 2.300 1.944 1.721 2.208 . 0 0 "[ . 1 . 2]" 2
14 1 35 LYS O 1 39 GLN N 2.700 2.700 3.300 3.009 2.810 3.199 . 0 0 "[ . 1 . 2]" 2
15 1 35 LYS O 1 39 GLN H 1.700 . 2.300 2.211 1.889 2.343 0.043 11 0 "[ . 1 . 2]" 2
16 1 47 LEU O 1 83 VAL N 2.700 2.700 3.300 2.817 2.704 3.060 . 0 0 "[ . 1 . 2]" 2
17 1 47 LEU O 1 83 VAL H 1.700 . 2.300 1.865 1.739 2.152 . 0 0 "[ . 1 . 2]" 2
18 1 48 ARG O 1 64 GLY N 2.700 2.700 3.300 3.111 3.010 3.286 . 0 0 "[ . 1 . 2]" 2
19 1 48 ARG O 1 64 GLY H 1.700 . 2.300 2.203 2.027 2.343 0.043 5 0 "[ . 1 . 2]" 2
20 1 50 ALA O 1 62 ARG N 2.700 2.700 3.300 2.794 2.698 3.014 0.002 12 0 "[ . 1 . 2]" 2
21 1 50 ALA O 1 62 ARG H 1.700 . 2.300 1.844 1.717 2.057 . 0 0 "[ . 1 . 2]" 2
22 1 52 GLY O 1 60 ASP N 2.700 2.700 3.300 2.789 2.700 2.982 0.000 19 0 "[ . 1 . 2]" 2
23 1 52 GLY O 1 60 ASP H 1.700 . 2.300 1.850 1.720 2.069 . 0 0 "[ . 1 . 2]" 2
24 1 52 GLY N 1 60 ASP O 2.700 2.700 3.300 2.846 2.695 3.147 0.005 9 0 "[ . 1 . 2]" 2
25 1 52 GLY H 1 60 ASP O 1.700 . 2.300 1.921 1.722 2.305 0.005 4 0 "[ . 1 . 2]" 2
26 1 50 ALA N 1 62 ARG O 2.700 2.700 3.300 2.834 2.697 3.036 0.003 16 0 "[ . 1 . 2]" 2
27 1 50 ALA H 1 62 ARG O 1.700 . 2.300 1.867 1.732 2.090 . 0 0 "[ . 1 . 2]" 2
28 1 48 ARG N 1 64 GLY O 2.700 2.700 3.300 2.770 2.685 2.923 0.015 13 0 "[ . 1 . 2]" 2
29 1 48 ARG H 1 64 GLY O 1.700 . 2.300 1.869 1.731 2.105 . 0 0 "[ . 1 . 2]" 2
30 1 85 ALA O 1 89 VAL N 2.700 2.700 3.300 3.076 2.743 3.175 . 0 0 "[ . 1 . 2]" 2
31 1 85 ALA O 1 89 VAL H 1.700 . 2.300 2.224 1.817 2.341 0.041 14 0 "[ . 1 . 2]" 2
32 1 24 LYS N 1 95 THR O 2.700 2.700 3.300 2.985 2.749 3.223 . 0 0 "[ . 1 . 2]" 2
33 1 24 LYS H 1 95 THR O 1.700 . 2.300 2.089 1.801 2.309 0.009 19 0 "[ . 1 . 2]" 2
34 1 96 THR O 1 112 LEU N 2.700 2.700 3.300 2.776 2.682 2.908 0.018 12 0 "[ . 1 . 2]" 2
35 1 96 THR O 1 112 LEU H 1.700 . 2.300 1.842 1.730 2.030 . 0 0 "[ . 1 . 2]" 2
36 1 26 THR N 1 97 LEU O 2.700 2.700 3.300 3.117 2.956 3.293 . 0 0 "[ . 1 . 2]" 2
37 1 26 THR H 1 97 LEU O 1.700 . 2.300 2.164 1.984 2.336 0.036 13 0 "[ . 1 . 2]" 2
38 1 98 ASP O 1 110 ILE N 2.700 2.700 3.300 2.794 2.693 3.278 0.007 14 0 "[ . 1 . 2]" 2
39 1 98 ASP O 1 110 ILE H 1.700 . 2.300 1.823 1.716 2.309 0.009 1 0 "[ . 1 . 2]" 2
40 1 98 ASP N 1 110 ILE O 2.700 2.700 3.300 3.170 2.894 3.287 . 0 0 "[ . 1 . 2]" 2
41 1 98 ASP H 1 110 ILE O 1.700 . 2.300 2.206 1.944 2.347 0.047 14 0 "[ . 1 . 2]" 2
stop_
save_