NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396656 |
1sjr   |
6177 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1sjr
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 1122
_Distance_constraint_stats_list.Viol_count 1491
_Distance_constraint_stats_list.Viol_total 432.647
_Distance_constraint_stats_list.Viol_max 0.193
_Distance_constraint_stats_list.Viol_rms 0.0089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0181
_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 41 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 43 GLN 0.036 0.013 8 0 "[ . 1 . ]"
1 44 SER 0.120 0.029 8 0 "[ . 1 . ]"
1 45 PRO 0.639 0.055 14 0 "[ . 1 . ]"
1 46 VAL 1.540 0.055 14 0 "[ . 1 . ]"
1 47 LEU 0.184 0.023 5 0 "[ . 1 . ]"
1 48 ARG 0.121 0.020 4 0 "[ . 1 . ]"
1 49 ILE 0.509 0.021 6 0 "[ . 1 . ]"
1 50 ILE 0.030 0.008 12 0 "[ . 1 . ]"
1 51 VAL 0.131 0.025 5 0 "[ . 1 . ]"
1 52 GLU 0.091 0.025 5 0 "[ . 1 . ]"
1 53 ASN 0.002 0.002 4 0 "[ . 1 . ]"
1 54 LEU 0.077 0.033 5 0 "[ . 1 . ]"
1 55 PHE 0.007 0.003 8 0 "[ . 1 . ]"
1 56 TYR 0.056 0.014 9 0 "[ . 1 . ]"
1 57 PRO 0.051 0.014 9 0 "[ . 1 . ]"
1 58 VAL 1.669 0.138 12 0 "[ . 1 . ]"
1 59 THR 1.651 0.138 12 0 "[ . 1 . ]"
1 60 LEU 0.077 0.013 4 0 "[ . 1 . ]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 62 VAL 0.259 0.020 2 0 "[ . 1 . ]"
1 63 LEU 0.234 0.021 6 0 "[ . 1 . ]"
1 64 HIS 0.121 0.018 15 0 "[ . 1 . ]"
1 65 GLN 0.141 0.046 6 0 "[ . 1 . ]"
1 66 ILE 2.382 0.121 3 0 "[ . 1 . ]"
1 67 PHE 0.685 0.088 14 0 "[ . 1 . ]"
1 68 SER 1.718 0.121 3 0 "[ . 1 . ]"
1 69 LYS 2.985 0.092 15 0 "[ . 1 . ]"
1 70 PHE 0.530 0.051 3 0 "[ . 1 . ]"
1 71 GLY 2.160 0.092 15 0 "[ . 1 . ]"
1 72 THR 0.343 0.036 9 0 "[ . 1 . ]"
1 73 VAL 1.500 0.075 12 0 "[ . 1 . ]"
1 74 LEU 1.159 0.075 12 0 "[ . 1 . ]"
1 75 LYS 0.221 0.034 2 0 "[ . 1 . ]"
1 76 ILE 0.543 0.028 15 0 "[ . 1 . ]"
1 77 ILE 0.166 0.019 10 0 "[ . 1 . ]"
1 78 THR 0.108 0.023 3 0 "[ . 1 . ]"
1 79 PHE 0.077 0.023 3 0 "[ . 1 . ]"
1 80 THR 0.887 0.132 3 0 "[ . 1 . ]"
1 81 LYS 0.381 0.052 3 0 "[ . 1 . ]"
1 82 ASN 0.071 0.028 3 0 "[ . 1 . ]"
1 83 ASN 0.085 0.027 2 0 "[ . 1 . ]"
1 84 GLN 0.732 0.132 3 0 "[ . 1 . ]"
1 85 PHE 0.084 0.045 3 0 "[ . 1 . ]"
1 86 GLN 0.038 0.007 14 0 "[ . 1 . ]"
1 87 ALA 0.110 0.017 10 0 "[ . 1 . ]"
1 88 LEU 0.149 0.016 5 0 "[ . 1 . ]"
1 89 LEU 0.916 0.043 2 0 "[ . 1 . ]"
1 90 GLN 0.185 0.026 10 0 "[ . 1 . ]"
1 91 TYR 1.971 0.078 15 0 "[ . 1 . ]"
1 92 ALA 0.135 0.011 3 0 "[ . 1 . ]"
1 93 ASP 0.268 0.027 4 0 "[ . 1 . ]"
1 94 PRO 1.776 0.098 15 0 "[ . 1 . ]"
1 95 VAL 0.031 0.006 4 0 "[ . 1 . ]"
1 96 SER 0.006 0.004 14 0 "[ . 1 . ]"
1 97 ALA 0.391 0.024 14 0 "[ . 1 . ]"
1 98 GLN 0.030 0.006 4 0 "[ . 1 . ]"
1 99 HIS 0.011 0.005 14 0 "[ . 1 . ]"
1 100 ALA 0.114 0.011 2 0 "[ . 1 . ]"
1 101 LYS 0.018 0.005 5 0 "[ . 1 . ]"
1 102 LEU 0.056 0.014 12 0 "[ . 1 . ]"
1 103 SER 0.257 0.020 14 0 "[ . 1 . ]"
1 104 LEU 0.578 0.031 15 0 "[ . 1 . ]"
1 105 ASP 0.084 0.013 5 0 "[ . 1 . ]"
1 106 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 107 GLN 0.120 0.051 2 0 "[ . 1 . ]"
1 108 ASN 0.027 0.007 2 0 "[ . 1 . ]"
1 109 ILE 0.080 0.019 15 0 "[ . 1 . ]"
1 110 TYR 0.017 0.003 6 0 "[ . 1 . ]"
1 111 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 112 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 113 CYS 0.046 0.034 5 0 "[ . 1 . ]"
1 114 CYS 0.054 0.010 4 0 "[ . 1 . ]"
1 115 THR 0.008 0.003 5 0 "[ . 1 . ]"
1 116 LEU 0.070 0.010 8 0 "[ . 1 . ]"
1 117 ARG 0.011 0.005 4 0 "[ . 1 . ]"
1 118 ILE 0.222 0.021 6 0 "[ . 1 . ]"
1 119 ASP 0.120 0.016 9 0 "[ . 1 . ]"
1 120 PHE 0.324 0.027 14 0 "[ . 1 . ]"
1 121 SER 0.087 0.020 4 0 "[ . 1 . ]"
1 122 LYS 0.211 0.034 15 0 "[ . 1 . ]"
1 123 LEU 1.624 0.193 8 0 "[ . 1 . ]"
1 124 THR 3.428 0.193 8 0 "[ . 1 . ]"
1 125 SER 2.595 0.173 5 0 "[ . 1 . ]"
1 126 LEU 0.595 0.048 6 0 "[ . 1 . ]"
1 127 ASN 0.011 0.007 4 0 "[ . 1 . ]"
1 128 VAL 0.323 0.042 5 0 "[ . 1 . ]"
1 129 LYS 0.333 0.042 5 0 "[ . 1 . ]"
1 130 TYR 0.126 0.015 16 0 "[ . 1 . ]"
1 131 ASN 0.601 0.135 15 0 "[ . 1 . ]"
1 132 ASN 0.446 0.071 5 0 "[ . 1 . ]"
1 133 ASP 0.865 0.135 15 0 "[ . 1 . ]"
1 134 LYS 0.752 0.124 3 0 "[ . 1 . ]"
1 135 SER 0.675 0.103 5 0 "[ . 1 . ]"
1 136 ARG 0.413 0.044 14 0 "[ . 1 . ]"
1 137 ASP 0.081 0.022 15 0 "[ . 1 . ]"
1 138 TYR 0.182 0.014 15 0 "[ . 1 . ]"
1 139 THR 0.027 0.007 16 0 "[ . 1 . ]"
1 140 ARG 0.079 0.036 3 0 "[ . 1 . ]"
1 141 PRO 0.366 0.036 6 0 "[ . 1 . ]"
1 142 ASP 0.125 0.037 16 0 "[ . 1 . ]"
1 143 LEU 0.663 0.037 16 0 "[ . 1 . ]"
1 144 PRO 0.068 0.013 15 0 "[ . 1 . ]"
1 145 SER 0.043 0.013 15 0 "[ . 1 . ]"
1 146 GLY 0.007 0.005 15 0 "[ . 1 . ]"
1 147 ASP 0.000 0.000 . 0 "[ . 1 . ]"
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 41 ALA HA 1 42 GLY H 4.224 . 4.224 2.661 2.172 3.574 . 0 0 "[ . 1 . ]" 1
2 1 41 ALA HA 1 41 ALA MB 2.589 . 2.589 2.103 2.084 2.127 . 0 0 "[ . 1 . ]" 1
3 1 41 ALA MB 1 42 GLY H 5.452 . 5.452 2.927 1.905 3.721 . 0 0 "[ . 1 . ]" 1
4 1 43 GLN QB 1 43 GLN QG 2.500 . 2.500 2.040 2.013 2.085 . 0 0 "[ . 1 . ]" 1
5 1 43 GLN HA 1 43 GLN QG 3.719 . 3.719 2.640 2.001 3.359 . 0 0 "[ . 1 . ]" 1
6 1 43 GLN HA 1 44 SER H 2.727 . 2.727 2.457 2.138 2.730 0.003 5 0 "[ . 1 . ]" 1
7 1 43 GLN HA 1 43 GLN QB 2.529 . 2.529 2.363 2.154 2.536 0.007 5 0 "[ . 1 . ]" 1
8 1 43 GLN H 1 43 GLN QB 3.621 . 3.621 2.666 2.163 3.144 . 0 0 "[ . 1 . ]" 1
9 1 43 GLN QB 1 44 SER H 4.526 . 4.526 3.509 2.112 4.013 . 0 0 "[ . 1 . ]" 1
10 1 43 GLN H 1 43 GLN QG 4.494 . 4.494 3.539 2.102 4.242 . 0 0 "[ . 1 . ]" 1
11 1 43 GLN QG 1 44 SER H 4.115 . 4.115 3.570 1.962 4.128 0.013 8 0 "[ . 1 . ]" 1
12 1 44 SER HA 1 44 SER QB 2.654 . 2.654 2.372 2.190 2.540 . 0 0 "[ . 1 . ]" 1
13 1 44 SER H 1 44 SER QB 2.802 . 2.802 2.714 2.419 2.831 0.029 8 0 "[ . 1 . ]" 1
14 1 44 SER HA 1 45 PRO QD 2.500 . 2.500 1.943 1.917 1.986 . 0 0 "[ . 1 . ]" 1
15 1 44 SER QB 1 46 VAL H 4.379 . 4.379 4.095 3.977 4.394 0.015 8 0 "[ . 1 . ]" 1
16 1 44 SER QB 1 120 PHE QD 4.726 . 4.726 4.717 4.627 4.737 0.011 10 0 "[ . 1 . ]" 1
17 1 44 SER QB 1 120 PHE QE 5.500 . 5.500 5.226 4.927 5.409 . 0 0 "[ . 1 . ]" 1
18 1 45 PRO QB 1 94 PRO QD 4.431 . 4.431 3.085 2.740 3.284 . 0 0 "[ . 1 . ]" 1
19 1 45 PRO QB 1 94 PRO HA 3.566 . 3.566 2.086 1.894 2.225 0.006 15 0 "[ . 1 . ]" 1
20 1 45 PRO QB 1 46 VAL MG2 5.500 . 5.500 4.017 3.994 4.049 . 0 0 "[ . 1 . ]" 1
21 1 45 PRO QG 1 46 VAL H 5.500 . 5.500 4.631 4.616 4.644 . 0 0 "[ . 1 . ]" 1
22 1 45 PRO QD 1 46 VAL MG2 4.379 . 4.379 3.405 3.278 3.484 . 0 0 "[ . 1 . ]" 1
23 1 45 PRO QD 1 46 VAL H 4.662 . 4.662 4.534 4.489 4.554 . 0 0 "[ . 1 . ]" 1
24 1 45 PRO QG 1 46 VAL MG2 3.448 . 3.448 3.487 3.466 3.503 0.055 14 0 "[ . 1 . ]" 1
25 1 46 VAL HA 1 90 GLN QB 4.147 . 4.147 3.770 3.428 4.149 0.002 10 0 "[ . 1 . ]" 1
26 1 46 VAL HA 1 47 LEU H 2.660 . 2.660 2.164 2.143 2.184 . 0 0 "[ . 1 . ]" 1
27 1 46 VAL HB 1 126 LEU H 5.500 . 5.500 5.495 5.425 5.536 0.036 6 0 "[ . 1 . ]" 1
28 1 46 VAL H 1 46 VAL HB 2.971 . 2.971 2.906 2.833 2.985 0.013 12 0 "[ . 1 . ]" 1
29 1 46 VAL MG2 1 90 GLN QG 3.083 . 3.083 2.979 2.725 3.093 0.011 5 0 "[ . 1 . ]" 1
30 1 46 VAL HB 1 121 SER QB 3.723 . 3.723 2.144 1.908 2.665 . 0 0 "[ . 1 . ]" 1
31 1 46 VAL MG2 1 120 PHE QD 5.500 . 5.500 4.721 4.238 5.506 0.006 3 0 "[ . 1 . ]" 1
32 1 46 VAL MG2 1 121 SER QB 4.727 . 4.727 3.327 3.095 3.643 . 0 0 "[ . 1 . ]" 1
33 1 46 VAL MG2 1 124 THR HA 3.292 . 3.292 3.277 3.093 3.330 0.038 6 0 "[ . 1 . ]" 1
34 1 46 VAL MG2 1 124 THR HB 5.500 . 5.500 4.134 3.878 4.476 . 0 0 "[ . 1 . ]" 1
35 1 46 VAL MG2 1 125 SER HA 3.193 . 3.193 2.023 1.882 2.593 0.018 12 0 "[ . 1 . ]" 1
36 1 46 VAL MG2 1 125 SER H 3.622 . 3.622 3.447 3.254 3.648 0.026 5 0 "[ . 1 . ]" 1
37 1 46 VAL MG2 1 126 LEU H 4.171 . 4.171 3.341 2.758 3.691 . 0 0 "[ . 1 . ]" 1
38 1 46 VAL MG2 1 126 LEU QD 5.500 . 5.500 3.056 1.898 3.710 0.002 6 0 "[ . 1 . ]" 1
39 1 46 VAL MG2 1 126 LEU HG 4.294 . 4.294 3.685 3.114 4.342 0.048 6 0 "[ . 1 . ]" 1
40 1 46 VAL HA 1 46 VAL MG2 3.591 . 3.591 2.469 2.400 2.578 . 0 0 "[ . 1 . ]" 1
41 1 46 VAL HA 1 46 VAL MG1 3.728 . 3.728 2.326 2.176 2.444 . 0 0 "[ . 1 . ]" 1
42 1 46 VAL H 1 46 VAL MG2 2.913 . 2.913 2.839 2.649 2.947 0.034 6 0 "[ . 1 . ]" 1
43 1 46 VAL H 1 46 VAL MG1 4.007 . 4.007 3.955 3.916 3.981 . 0 0 "[ . 1 . ]" 1
44 1 46 VAL MG2 1 47 LEU H 5.500 . 5.500 4.232 4.028 4.317 . 0 0 "[ . 1 . ]" 1
45 1 46 VAL MG2 1 90 GLN HA 3.699 . 3.699 3.012 2.591 3.333 . 0 0 "[ . 1 . ]" 1
46 1 46 VAL MG1 1 90 GLN HA 4.662 . 4.662 3.039 2.448 3.513 . 0 0 "[ . 1 . ]" 1
47 1 46 VAL MG2 1 90 GLN QB 3.884 . 3.884 2.927 2.114 3.886 0.001 5 0 "[ . 1 . ]" 1
48 1 46 VAL MG2 1 91 TYR H 4.548 . 4.548 3.815 3.329 4.253 . 0 0 "[ . 1 . ]" 1
49 1 46 VAL MG1 1 89 LEU H 3.395 . 3.395 3.380 3.131 3.412 0.017 5 0 "[ . 1 . ]" 1
50 1 46 VAL HB 1 90 GLN QE 4.371 . 4.371 4.349 4.232 4.381 0.011 10 0 "[ . 1 . ]" 1
51 1 47 LEU H 1 47 LEU HG 4.683 . 4.683 3.053 2.198 4.549 . 0 0 "[ . 1 . ]" 1
52 1 47 LEU HA 1 120 PHE HA 5.500 . 5.500 2.511 2.324 2.825 . 0 0 "[ . 1 . ]" 1
53 1 47 LEU HA 1 121 SER H 3.650 . 3.650 3.054 2.597 3.657 0.007 15 0 "[ . 1 . ]" 1
54 1 47 LEU HA 1 48 ARG H 2.500 . 2.500 2.277 2.141 2.399 . 0 0 "[ . 1 . ]" 1
55 1 47 LEU H 1 47 LEU HB3 3.703 . 3.703 3.677 3.536 3.726 0.023 5 0 "[ . 1 . ]" 1
56 1 47 LEU HA 1 47 LEU QD 2.705 . 2.705 2.112 1.890 2.339 0.010 4 0 "[ . 1 . ]" 1
57 1 47 LEU HB3 1 48 ARG H 3.455 . 3.455 2.807 2.518 3.311 . 0 0 "[ . 1 . ]" 1
58 1 47 LEU HB2 1 49 ILE MD 5.500 . 5.500 4.509 4.234 5.000 . 0 0 "[ . 1 . ]" 1
59 1 47 LEU QD 1 120 PHE HA 4.418 . 4.418 2.639 2.071 2.960 . 0 0 "[ . 1 . ]" 1
60 1 47 LEU QD 1 120 PHE QD 3.317 . 3.317 2.720 1.895 3.152 0.005 4 0 "[ . 1 . ]" 1
61 1 47 LEU QD 1 120 PHE QE 4.409 . 4.409 2.636 2.031 3.083 . 0 0 "[ . 1 . ]" 1
62 1 47 LEU QD 1 120 PHE HZ 5.500 . 5.500 3.527 3.168 3.821 . 0 0 "[ . 1 . ]" 1
63 1 47 LEU QD 1 121 SER H 4.290 . 4.290 3.871 3.286 4.219 . 0 0 "[ . 1 . ]" 1
64 1 47 LEU QD 1 48 ARG H 4.066 . 4.066 3.509 2.410 3.790 . 0 0 "[ . 1 . ]" 1
65 1 47 LEU QD 1 49 ILE MD 5.500 . 5.500 4.658 4.232 5.084 . 0 0 "[ . 1 . ]" 1
66 1 47 LEU QD 1 67 PHE QD 4.763 . 4.763 2.914 2.228 4.182 . 0 0 "[ . 1 . ]" 1
67 1 47 LEU QD 1 89 LEU QD 3.301 . 3.301 2.686 1.994 3.231 . 0 0 "[ . 1 . ]" 1
68 1 47 LEU QD 1 91 TYR QE 2.977 . 2.977 2.476 1.897 2.745 0.003 14 0 "[ . 1 . ]" 1
69 1 47 LEU QD 1 97 ALA HA 3.053 . 3.053 2.310 1.950 2.711 . 0 0 "[ . 1 . ]" 1
70 1 47 LEU QD 1 97 ALA MB 2.500 . 2.500 2.022 1.891 2.428 0.009 4 0 "[ . 1 . ]" 1
71 1 47 LEU H 1 47 LEU QD 3.836 . 3.836 2.918 2.044 3.420 . 0 0 "[ . 1 . ]" 1
72 1 47 LEU H 1 89 LEU MD1 5.153 . 5.153 3.480 2.714 4.749 . 0 0 "[ . 1 . ]" 1
73 1 47 LEU H 1 89 LEU QD 5.153 . 5.153 3.196 2.701 4.023 . 0 0 "[ . 1 . ]" 1
74 1 47 LEU H 1 89 LEU H 3.611 . 3.611 3.516 3.219 3.619 0.008 16 0 "[ . 1 . ]" 1
75 1 48 ARG HA 1 48 ARG QG 2.943 . 2.943 2.528 2.352 2.746 . 0 0 "[ . 1 . ]" 1
76 1 48 ARG HA 1 49 ILE H 2.742 . 2.742 2.166 2.143 2.215 . 0 0 "[ . 1 . ]" 1
77 1 48 ARG HA 1 49 ILE MD 5.500 . 5.500 4.505 4.279 4.683 . 0 0 "[ . 1 . ]" 1
78 1 48 ARG HA 1 87 ALA H 5.226 . 5.226 4.994 4.479 5.229 0.003 15 0 "[ . 1 . ]" 1
79 1 48 ARG HA 1 88 LEU HA 3.635 . 3.635 2.167 1.887 2.403 0.013 15 0 "[ . 1 . ]" 1
80 1 48 ARG HA 1 88 LEU QD 2.842 . 2.842 2.424 2.003 2.842 . 5 0 "[ . 1 . ]" 1
81 1 48 ARG HA 1 89 LEU H 5.241 . 5.241 3.433 3.114 3.840 . 0 0 "[ . 1 . ]" 1
82 1 48 ARG H 1 120 PHE HA 5.500 . 5.500 3.826 3.381 4.057 . 0 0 "[ . 1 . ]" 1
83 1 48 ARG H 1 48 ARG HB3 3.088 . 3.088 2.581 2.387 2.735 . 0 0 "[ . 1 . ]" 1
84 1 48 ARG QG 1 49 ILE H 3.953 . 3.953 3.091 2.360 3.396 . 0 0 "[ . 1 . ]" 1
85 1 48 ARG H 1 48 ARG QD 5.308 . 5.308 4.644 3.846 5.206 . 0 0 "[ . 1 . ]" 1
86 1 48 ARG HB3 1 48 ARG QD 4.027 . 4.027 2.532 1.921 3.089 . 0 0 "[ . 1 . ]" 1
87 1 48 ARG QD 1 50 ILE MD 4.833 . 4.833 2.854 1.915 3.798 . 0 0 "[ . 1 . ]" 1
88 1 48 ARG QD 1 50 ILE QG 4.662 . 4.662 3.007 1.892 4.069 0.008 12 0 "[ . 1 . ]" 1
89 1 48 ARG QD 1 49 ILE H 5.459 . 5.459 4.768 3.899 5.269 . 0 0 "[ . 1 . ]" 1
90 1 48 ARG H 1 121 SER QB 4.856 . 4.856 4.747 4.366 4.875 0.020 4 0 "[ . 1 . ]" 1
91 1 48 ARG H 1 121 SER H 4.304 . 4.304 4.111 3.806 4.262 . 0 0 "[ . 1 . ]" 1
92 1 48 ARG H 1 49 ILE H 5.248 . 5.248 4.113 3.911 4.439 . 0 0 "[ . 1 . ]" 1
93 1 48 ARG H 1 88 LEU HA 4.963 . 4.963 4.854 4.630 4.972 0.009 3 0 "[ . 1 . ]" 1
94 1 48 ARG HB3 1 119 ASP QB 4.662 . 4.662 3.598 2.632 4.439 . 0 0 "[ . 1 . ]" 1
95 1 48 ARG HB2 1 121 SER QB 4.431 . 4.431 3.469 3.112 3.761 . 0 0 "[ . 1 . ]" 1
96 1 49 ILE HB 1 49 ILE MG 2.559 . 2.559 2.114 2.103 2.121 . 0 0 "[ . 1 . ]" 1
97 1 49 ILE H 1 49 ILE HB 3.262 . 3.262 2.743 2.629 2.902 . 0 0 "[ . 1 . ]" 1
98 1 49 ILE H 1 49 ILE QG 4.229 . 4.229 1.945 1.896 2.062 0.004 6 0 "[ . 1 . ]" 1
99 1 49 ILE HB 1 87 ALA MB 2.716 . 2.716 2.428 2.007 2.709 . 0 0 "[ . 1 . ]" 1
100 1 49 ILE MD 1 116 LEU QB 5.500 . 5.500 4.788 3.863 5.493 . 0 0 "[ . 1 . ]" 1
101 1 49 ILE MD 1 118 ILE MD 5.500 . 5.500 4.442 4.147 5.092 . 0 0 "[ . 1 . ]" 1
102 1 49 ILE MD 1 118 ILE MG 5.500 . 5.500 4.254 3.850 4.933 . 0 0 "[ . 1 . ]" 1
103 1 49 ILE MD 1 49 ILE MG 2.500 . 2.500 2.378 1.943 2.519 0.019 4 0 "[ . 1 . ]" 1
104 1 49 ILE H 1 49 ILE MD 4.716 . 4.716 3.141 2.857 3.565 . 0 0 "[ . 1 . ]" 1
105 1 49 ILE HB 1 49 ILE MD 3.229 . 3.229 2.155 2.062 2.393 . 0 0 "[ . 1 . ]" 1
106 1 49 ILE MD 1 63 LEU QD 4.293 . 4.293 2.034 1.896 2.347 0.004 8 0 "[ . 1 . ]" 1
107 1 49 ILE MD 1 66 ILE MG 3.777 . 3.777 3.736 3.508 3.796 0.019 9 0 "[ . 1 . ]" 1
108 1 49 ILE MD 1 67 PHE QE 4.894 . 4.894 1.990 1.900 2.792 . 0 0 "[ . 1 . ]" 1
109 1 49 ILE MD 1 89 LEU QB 3.304 . 3.304 3.148 2.330 3.319 0.015 15 0 "[ . 1 . ]" 1
110 1 49 ILE MD 1 89 LEU QD 2.500 . 2.500 2.059 1.895 2.509 0.009 10 0 "[ . 1 . ]" 1
111 1 49 ILE MD 1 89 LEU H 5.500 . 5.500 4.473 3.468 5.157 . 0 0 "[ . 1 . ]" 1
112 1 49 ILE MG 1 116 LEU QB 5.500 . 5.500 2.377 1.892 3.692 0.008 6 0 "[ . 1 . ]" 1
113 1 49 ILE MG 1 50 ILE H 3.532 . 3.532 2.365 2.151 2.920 . 0 0 "[ . 1 . ]" 1
114 1 49 ILE MG 1 89 LEU QD 5.500 . 5.500 4.625 4.295 5.233 . 0 0 "[ . 1 . ]" 1
115 1 49 ILE MG 1 87 ALA H 4.123 . 4.123 4.087 3.931 4.138 0.015 5 0 "[ . 1 . ]" 1
116 1 49 ILE MG 1 116 LEU HA 5.500 . 5.500 3.356 2.934 3.996 . 0 0 "[ . 1 . ]" 1
117 1 49 ILE MG 1 118 ILE HA 3.591 . 3.591 3.600 3.591 3.612 0.021 6 0 "[ . 1 . ]" 1
118 1 49 ILE H 1 49 ILE MG 4.516 . 4.516 3.797 3.782 3.867 . 0 0 "[ . 1 . ]" 1
119 1 49 ILE H 1 87 ALA MB 3.913 . 3.913 3.756 3.451 3.923 0.010 15 0 "[ . 1 . ]" 1
120 1 49 ILE H 1 87 ALA H 3.672 . 3.672 3.554 3.072 3.689 0.017 10 0 "[ . 1 . ]" 1
121 1 49 ILE H 1 88 LEU HA 5.216 . 5.216 2.821 2.154 3.340 . 0 0 "[ . 1 . ]" 1
122 1 49 ILE H 1 88 LEU QD 5.500 . 5.500 3.512 2.775 4.440 . 0 0 "[ . 1 . ]" 1
123 1 50 ILE HA 1 86 GLN HA 2.999 . 2.999 2.405 2.116 2.681 . 0 0 "[ . 1 . ]" 1
124 1 50 ILE H 1 50 ILE HB 3.558 . 3.558 2.832 2.745 2.945 . 0 0 "[ . 1 . ]" 1
125 1 50 ILE HB 1 51 VAL H 5.001 . 5.001 4.285 4.099 4.361 . 0 0 "[ . 1 . ]" 1
126 1 50 ILE MG 1 51 VAL HA 4.733 . 4.733 4.185 3.878 4.371 . 0 0 "[ . 1 . ]" 1
127 1 50 ILE MG 1 51 VAL H 3.006 . 3.006 2.830 2.215 3.012 0.006 12 0 "[ . 1 . ]" 1
128 1 50 ILE MG 1 52 GLU QG 3.266 . 3.266 2.849 2.459 3.259 . 0 0 "[ . 1 . ]" 1
129 1 50 ILE MG 1 86 GLN HA 4.882 . 4.882 3.582 3.156 4.135 . 0 0 "[ . 1 . ]" 1
130 1 50 ILE H 1 117 ARG QB 4.541 . 4.541 3.314 2.856 3.929 . 0 0 "[ . 1 . ]" 1
131 1 50 ILE H 1 117 ARG H 4.006 . 4.006 2.394 2.086 2.863 . 0 0 "[ . 1 . ]" 1
132 1 50 ILE HB 1 117 ARG H 5.500 . 5.500 3.246 2.848 4.138 . 0 0 "[ . 1 . ]" 1
133 1 50 ILE MD 1 117 ARG QB 4.794 . 4.794 2.844 1.991 4.113 . 0 0 "[ . 1 . ]" 1
134 1 50 ILE H 1 118 ILE HA 4.836 . 4.836 3.916 3.590 4.550 . 0 0 "[ . 1 . ]" 1
135 1 50 ILE H 1 50 ILE QG 3.728 . 3.728 2.892 2.619 3.170 . 0 0 "[ . 1 . ]" 1
136 1 50 ILE H 1 50 ILE MG 4.548 . 4.548 3.920 3.840 3.967 . 0 0 "[ . 1 . ]" 1
137 1 50 ILE H 1 50 ILE MD 5.500 . 5.500 3.800 3.015 4.355 . 0 0 "[ . 1 . ]" 1
138 1 50 ILE MD 1 86 GLN QE 4.419 . 4.419 3.455 2.158 4.401 . 0 0 "[ . 1 . ]" 1
139 1 51 VAL HA 1 52 GLU QB 5.500 . 5.500 4.379 4.141 4.565 . 0 0 "[ . 1 . ]" 1
140 1 51 VAL HA 1 117 ARG H 4.341 . 4.341 3.845 3.620 4.285 . 0 0 "[ . 1 . ]" 1
141 1 51 VAL HA 1 51 VAL QG 2.744 . 2.744 2.114 2.037 2.218 . 0 0 "[ . 1 . ]" 1
142 1 51 VAL H 1 51 VAL HB 3.663 . 3.663 2.531 2.397 2.933 . 0 0 "[ . 1 . ]" 1
143 1 51 VAL H 1 51 VAL QG 2.776 . 2.776 2.263 1.896 2.562 0.004 16 0 "[ . 1 . ]" 1
144 1 51 VAL HA 1 52 GLU H 2.952 . 2.952 2.192 2.140 2.300 . 0 0 "[ . 1 . ]" 1
145 1 51 VAL QG 1 86 GLN HA 5.500 . 5.500 4.006 2.668 4.759 . 0 0 "[ . 1 . ]" 1
146 1 51 VAL QG 1 85 PHE H 4.510 . 4.510 4.044 2.401 4.514 0.005 15 0 "[ . 1 . ]" 1
147 1 51 VAL QG 1 85 PHE QB 5.500 . 5.500 2.516 1.889 3.033 0.011 5 0 "[ . 1 . ]" 1
148 1 51 VAL H 1 52 GLU H 4.581 . 4.581 4.554 4.459 4.606 0.025 5 0 "[ . 1 . ]" 1
149 1 51 VAL H 1 85 PHE QB 4.664 . 4.664 3.575 2.407 4.511 . 0 0 "[ . 1 . ]" 1
150 1 51 VAL H 1 85 PHE QD 5.500 . 5.500 3.285 2.657 4.349 . 0 0 "[ . 1 . ]" 1
151 1 51 VAL H 1 86 GLN HA 4.767 . 4.767 3.135 2.243 3.847 . 0 0 "[ . 1 . ]" 1
152 1 52 GLU HA 1 52 GLU QG 3.471 . 3.471 2.516 2.287 2.720 . 0 0 "[ . 1 . ]" 1
153 1 52 GLU HA 1 53 ASN H 3.606 . 3.606 2.327 2.140 2.810 . 0 0 "[ . 1 . ]" 1
154 1 52 GLU H 1 52 GLU QB 3.778 . 3.778 2.621 2.408 2.838 . 0 0 "[ . 1 . ]" 1
155 1 52 GLU QB 1 53 ASN H 4.549 . 4.549 2.845 1.899 3.648 0.001 9 0 "[ . 1 . ]" 1
156 1 52 GLU QB 1 115 THR HB 3.098 . 3.098 2.385 1.904 2.892 . 0 0 "[ . 1 . ]" 1
157 1 52 GLU QG 1 53 ASN H 4.691 . 4.691 4.247 3.855 4.615 . 0 0 "[ . 1 . ]" 1
158 1 52 GLU QG 1 115 THR HB 5.500 . 5.500 3.508 2.615 4.461 . 0 0 "[ . 1 . ]" 1
159 1 52 GLU QG 1 117 ARG QG 4.662 . 4.662 3.347 2.259 4.662 0.001 16 0 "[ . 1 . ]" 1
160 1 52 GLU H 1 114 CYS HA 5.500 . 5.500 3.906 3.396 4.552 . 0 0 "[ . 1 . ]" 1
161 1 52 GLU H 1 115 THR H 4.745 . 4.745 4.010 3.182 4.536 . 0 0 "[ . 1 . ]" 1
162 1 52 GLU H 1 115 THR HB 4.630 . 4.630 3.373 2.809 4.089 . 0 0 "[ . 1 . ]" 1
163 1 52 GLU H 1 52 GLU QG 3.851 . 3.851 2.913 2.501 3.342 . 0 0 "[ . 1 . ]" 1
164 1 53 ASN HA 1 54 LEU H 3.348 . 3.348 2.365 2.148 2.834 . 0 0 "[ . 1 . ]" 1
165 1 53 ASN HB2 1 115 THR H 4.911 . 4.911 3.880 3.258 4.613 . 0 0 "[ . 1 . ]" 1
166 1 53 ASN H 1 54 LEU H 4.120 . 4.120 3.172 2.543 3.782 . 0 0 "[ . 1 . ]" 1
167 1 53 ASN HB2 1 53 ASN QD 3.226 . 3.226 2.203 2.095 2.975 . 0 0 "[ . 1 . ]" 1
168 1 53 ASN HB2 1 114 CYS H 4.162 . 4.162 3.666 2.480 4.164 0.002 4 0 "[ . 1 . ]" 1
169 1 53 ASN QD 1 115 THR HB 4.282 . 4.282 3.527 2.674 4.257 . 0 0 "[ . 1 . ]" 1
170 1 54 LEU HA 1 54 LEU QB 3.323 . 3.323 2.409 2.158 2.536 . 0 0 "[ . 1 . ]" 1
171 1 54 LEU HA 1 54 LEU HG 4.265 . 4.265 3.342 2.421 3.738 . 0 0 "[ . 1 . ]" 1
172 1 54 LEU QB 1 54 LEU HG 3.024 . 3.024 2.323 2.155 2.529 . 0 0 "[ . 1 . ]" 1
173 1 54 LEU HA 1 54 LEU QD 4.048 . 4.048 2.353 1.901 3.450 . 0 0 "[ . 1 . ]" 1
174 1 54 LEU QB 1 54 LEU QD 2.500 . 2.500 1.948 1.867 2.046 0.033 5 0 "[ . 1 . ]" 1
175 1 54 LEU HA 1 55 PHE H 3.293 . 3.293 2.193 2.141 2.338 . 0 0 "[ . 1 . ]" 1
176 1 54 LEU HA 1 56 TYR H 5.500 . 5.500 4.171 3.834 4.733 . 0 0 "[ . 1 . ]" 1
177 1 54 LEU H 1 54 LEU QB 2.809 . 2.809 2.193 2.032 2.530 . 0 0 "[ . 1 . ]" 1
178 1 54 LEU QB 1 55 PHE H 5.389 . 5.389 3.404 2.735 3.749 . 0 0 "[ . 1 . ]" 1
179 1 54 LEU H 1 54 LEU QD 4.646 . 4.646 2.968 1.906 3.662 . 0 0 "[ . 1 . ]" 1
180 1 54 LEU QD 1 55 PHE H 4.944 . 4.944 2.850 1.897 3.966 0.003 8 0 "[ . 1 . ]" 1
181 1 54 LEU H 1 54 LEU HG 4.991 . 4.991 3.834 2.273 4.623 . 0 0 "[ . 1 . ]" 1
182 1 54 LEU H 1 55 PHE H 5.500 . 5.500 4.521 4.277 4.633 . 0 0 "[ . 1 . ]" 1
183 1 55 PHE H 1 55 PHE QB 3.347 . 3.347 2.694 2.350 3.154 . 0 0 "[ . 1 . ]" 1
184 1 55 PHE QB 1 56 TYR H 4.116 . 4.116 2.488 1.898 3.228 0.002 15 0 "[ . 1 . ]" 1
185 1 55 PHE H 1 56 TYR H 3.556 . 3.556 2.184 1.903 2.937 . 0 0 "[ . 1 . ]" 1
186 1 55 PHE QD 1 113 CYS QB 4.147 . 4.147 3.263 1.965 4.017 . 0 0 "[ . 1 . ]" 1
187 1 56 TYR H 1 56 TYR QB 3.835 . 3.835 2.518 2.287 2.797 . 0 0 "[ . 1 . ]" 1
188 1 56 TYR QB 1 57 PRO QD 2.500 . 2.500 2.467 2.340 2.514 0.014 9 0 "[ . 1 . ]" 1
189 1 56 TYR QB 1 110 TYR QD 4.324 . 4.324 3.789 3.243 4.326 0.001 10 0 "[ . 1 . ]" 1
190 1 56 TYR QD 1 57 PRO QD 4.662 . 4.662 2.568 2.016 3.432 . 0 0 "[ . 1 . ]" 1
191 1 57 PRO HA 1 58 VAL H 2.782 . 2.782 2.223 2.150 2.411 . 0 0 "[ . 1 . ]" 1
192 1 57 PRO HA 1 57 PRO QB 2.500 . 2.500 2.188 2.181 2.226 . 0 0 "[ . 1 . ]" 1
193 1 57 PRO QB 1 58 VAL H 4.817 . 4.817 3.353 2.501 3.791 . 0 0 "[ . 1 . ]" 1
194 1 58 VAL HA 1 59 THR MG 2.669 . 2.669 2.766 2.719 2.806 0.138 12 0 "[ . 1 . ]" 1
195 1 58 VAL HA 1 59 THR H 2.594 . 2.594 2.573 2.519 2.614 0.020 2 0 "[ . 1 . ]" 1
196 1 58 VAL HA 1 62 VAL QG 3.566 . 3.566 3.330 2.864 3.558 . 0 0 "[ . 1 . ]" 1
197 1 58 VAL H 1 58 VAL HB 3.674 . 3.674 3.607 3.048 3.684 0.009 6 0 "[ . 1 . ]" 1
198 1 58 VAL HB 1 59 THR H 5.272 . 5.272 2.106 1.935 2.733 . 0 0 "[ . 1 . ]" 1
199 1 58 VAL HA 1 58 VAL QG 2.500 . 2.500 2.119 1.930 2.328 . 0 0 "[ . 1 . ]" 1
200 1 58 VAL QG 1 59 THR H 3.536 . 3.536 2.774 1.922 2.986 . 0 0 "[ . 1 . ]" 1
201 1 58 VAL QG 1 109 ILE MG 4.371 . 4.371 3.150 2.463 4.028 . 0 0 "[ . 1 . ]" 1
202 1 58 VAL QG 1 114 CYS QB 3.541 . 3.541 3.457 3.164 3.551 0.010 4 0 "[ . 1 . ]" 1
203 1 58 VAL H 1 58 VAL QG 3.805 . 3.805 2.078 1.900 2.419 0.000 3 0 "[ . 1 . ]" 1
204 1 58 VAL QG 1 62 VAL QG 5.500 . 5.500 2.567 1.898 3.416 0.002 12 0 "[ . 1 . ]" 1
205 1 58 VAL QG 1 62 VAL HB 4.970 . 4.970 3.726 2.426 4.319 . 0 0 "[ . 1 . ]" 1
206 1 59 THR HB 1 60 LEU H 5.500 . 5.500 2.828 1.957 3.242 . 0 0 "[ . 1 . ]" 1
207 1 59 THR MG 1 60 LEU H 4.068 . 4.068 3.528 3.202 3.677 . 0 0 "[ . 1 . ]" 1
208 1 59 THR H 1 59 THR MG 2.732 . 2.732 2.405 2.323 2.576 . 0 0 "[ . 1 . ]" 1
209 1 59 THR H 1 60 LEU H 5.229 . 5.229 4.312 4.245 4.373 . 0 0 "[ . 1 . ]" 1
210 1 59 THR H 1 62 VAL HB 3.378 . 3.378 3.057 2.646 3.398 0.020 2 0 "[ . 1 . ]" 1
211 1 59 THR MG 1 62 VAL HB 5.500 . 5.500 3.674 2.773 4.867 . 0 0 "[ . 1 . ]" 1
212 1 59 THR H 1 62 VAL QG 3.357 . 3.357 2.452 1.919 2.955 . 0 0 "[ . 1 . ]" 1
213 1 59 THR H 1 62 VAL H 4.313 . 4.313 3.787 3.509 4.071 . 0 0 "[ . 1 . ]" 1
214 1 59 THR H 1 63 LEU H 5.500 . 5.500 4.193 3.968 4.352 . 0 0 "[ . 1 . ]" 1
215 1 60 LEU HA 1 60 LEU QD 5.500 . 5.500 2.966 2.531 3.069 . 0 0 "[ . 1 . ]" 1
216 1 60 LEU HA 1 61 ASP H 4.564 . 4.564 3.549 3.498 3.568 . 0 0 "[ . 1 . ]" 1
217 1 60 LEU HA 1 62 VAL QG 4.885 . 4.885 4.518 3.818 4.899 0.013 4 0 "[ . 1 . ]" 1
218 1 60 LEU HA 1 63 LEU QB 2.983 . 2.983 2.765 2.262 2.992 0.009 9 0 "[ . 1 . ]" 1
219 1 60 LEU HA 1 63 LEU H 4.740 . 4.740 3.172 3.028 3.508 . 0 0 "[ . 1 . ]" 1
220 1 60 LEU HA 1 63 LEU QD 3.429 . 3.429 2.218 1.896 3.207 0.004 6 0 "[ . 1 . ]" 1
221 1 60 LEU HA 1 64 HIS H 4.760 . 4.760 3.855 3.650 4.212 . 0 0 "[ . 1 . ]" 1
222 1 60 LEU H 1 60 LEU HB2 2.931 . 2.931 2.396 2.238 2.584 . 0 0 "[ . 1 . ]" 1
223 1 60 LEU HB2 1 61 ASP H 3.613 . 3.613 2.504 2.326 2.859 . 0 0 "[ . 1 . ]" 1
224 1 60 LEU HA 1 60 LEU HG 2.764 . 2.764 2.421 2.313 2.620 . 0 0 "[ . 1 . ]" 1
225 1 60 LEU H 1 61 ASP H 3.376 . 3.376 2.550 2.370 2.675 . 0 0 "[ . 1 . ]" 1
226 1 60 LEU H 1 62 VAL H 5.109 . 5.109 4.049 3.832 4.493 . 0 0 "[ . 1 . ]" 1
227 1 60 LEU QD 1 61 ASP H 5.500 . 5.500 3.646 3.289 4.166 . 0 0 "[ . 1 . ]" 1
228 1 60 LEU H 1 60 LEU QD 5.500 . 5.500 2.263 1.898 3.206 0.002 4 0 "[ . 1 . ]" 1
229 1 61 ASP HA 1 62 VAL H 4.678 . 4.678 3.500 3.471 3.571 . 0 0 "[ . 1 . ]" 1
230 1 61 ASP HA 1 64 HIS QB 3.212 . 3.212 2.894 2.715 3.152 . 0 0 "[ . 1 . ]" 1
231 1 61 ASP HA 1 64 HIS H 4.412 . 4.412 3.857 3.596 4.032 . 0 0 "[ . 1 . ]" 1
232 1 61 ASP HA 1 65 GLN H 4.403 . 4.403 4.056 3.828 4.382 . 0 0 "[ . 1 . ]" 1
233 1 61 ASP HA 1 61 ASP HB3 2.700 . 2.700 2.491 2.388 2.630 . 0 0 "[ . 1 . ]" 1
234 1 61 ASP H 1 61 ASP HB2 2.941 . 2.941 2.598 2.314 2.830 . 0 0 "[ . 1 . ]" 1
235 1 61 ASP HB2 1 62 VAL H 3.402 . 3.402 2.820 2.397 3.032 . 0 0 "[ . 1 . ]" 1
236 1 61 ASP HB3 1 62 VAL QG 5.500 . 5.500 4.360 3.744 5.153 . 0 0 "[ . 1 . ]" 1
237 1 61 ASP H 1 62 VAL H 3.054 . 3.054 2.875 2.742 3.029 . 0 0 "[ . 1 . ]" 1
238 1 62 VAL HA 1 62 VAL QG 2.500 . 2.500 2.114 2.027 2.205 . 0 0 "[ . 1 . ]" 1
239 1 62 VAL HA 1 63 LEU H 5.500 . 5.500 3.561 3.548 3.571 . 0 0 "[ . 1 . ]" 1
240 1 62 VAL HA 1 65 GLN QB 3.098 . 3.098 3.041 2.862 3.106 0.008 3 0 "[ . 1 . ]" 1
241 1 62 VAL HA 1 65 GLN QG 5.500 . 5.500 4.621 3.536 5.105 . 0 0 "[ . 1 . ]" 1
242 1 62 VAL HA 1 65 GLN H 4.669 . 4.669 3.746 3.655 3.918 . 0 0 "[ . 1 . ]" 1
243 1 62 VAL H 1 62 VAL HB 2.500 . 2.500 2.457 2.295 2.517 0.017 15 0 "[ . 1 . ]" 1
244 1 62 VAL HB 1 63 LEU H 3.802 . 3.802 2.829 2.246 3.670 . 0 0 "[ . 1 . ]" 1
245 1 62 VAL QG 1 109 ILE MG 2.577 . 2.577 2.493 2.308 2.596 0.019 15 0 "[ . 1 . ]" 1
246 1 62 VAL QG 1 63 LEU HA 4.623 . 4.623 3.113 2.738 3.445 . 0 0 "[ . 1 . ]" 1
247 1 62 VAL QG 1 63 LEU H 3.471 . 3.471 2.610 1.890 3.128 0.010 15 0 "[ . 1 . ]" 1
248 1 62 VAL QG 1 65 GLN H 5.279 . 5.279 4.576 4.468 4.701 . 0 0 "[ . 1 . ]" 1
249 1 62 VAL H 1 62 VAL QG 2.500 . 2.500 2.360 2.202 2.520 0.020 2 0 "[ . 1 . ]" 1
250 1 62 VAL H 1 63 LEU H 3.033 . 3.033 2.561 2.415 2.769 . 0 0 "[ . 1 . ]" 1
251 1 62 VAL H 1 64 HIS H 5.332 . 5.332 3.823 3.726 4.218 . 0 0 "[ . 1 . ]" 1
252 1 62 VAL QG 1 65 GLN QB 5.500 . 5.500 3.901 3.785 4.063 . 0 0 "[ . 1 . ]" 1
253 1 63 LEU HA 1 63 LEU QB 2.739 . 2.739 2.246 2.142 2.438 . 0 0 "[ . 1 . ]" 1
254 1 63 LEU H 1 63 LEU QB 3.083 . 3.083 2.268 2.095 2.641 . 0 0 "[ . 1 . ]" 1
255 1 63 LEU H 1 63 LEU QD 3.304 . 3.304 3.127 2.446 3.302 . 0 0 "[ . 1 . ]" 1
256 1 63 LEU HA 1 63 LEU QD 5.500 . 5.500 2.702 1.900 3.241 . 10 0 "[ . 1 . ]" 1
257 1 63 LEU HA 1 64 HIS H 5.055 . 5.055 3.500 3.428 3.553 . 0 0 "[ . 1 . ]" 1
258 1 63 LEU HA 1 66 ILE HB 4.386 . 4.386 2.476 2.130 2.747 . 0 0 "[ . 1 . ]" 1
259 1 63 LEU HA 1 66 ILE MG 5.500 . 5.500 3.488 3.079 3.771 . 0 0 "[ . 1 . ]" 1
260 1 63 LEU HA 1 66 ILE MD 4.498 . 4.498 3.644 2.742 4.500 0.001 10 0 "[ . 1 . ]" 1
261 1 63 LEU HA 1 66 ILE H 3.822 . 3.822 3.693 3.578 3.820 . 0 0 "[ . 1 . ]" 1
262 1 63 LEU HA 1 67 PHE QD 4.492 . 4.492 3.873 3.152 4.271 . 0 0 "[ . 1 . ]" 1
263 1 63 LEU HA 1 67 PHE QE 5.500 . 5.500 4.847 3.601 5.502 0.002 6 0 "[ . 1 . ]" 1
264 1 63 LEU QB 1 64 HIS H 3.387 . 3.387 3.099 2.455 3.405 0.018 15 0 "[ . 1 . ]" 1
265 1 63 LEU QB 1 76 ILE MD 3.805 . 3.805 3.094 2.036 3.826 0.021 6 0 "[ . 1 . ]" 1
266 1 63 LEU H 1 63 LEU HG 3.259 . 3.259 2.781 2.022 3.260 0.001 1 0 "[ . 1 . ]" 1
267 1 63 LEU HG 1 76 ILE MD 4.549 . 4.549 3.242 2.112 4.559 0.010 2 0 "[ . 1 . ]" 1
268 1 63 LEU H 1 64 HIS H 3.503 . 3.503 2.700 2.570 2.902 . 0 0 "[ . 1 . ]" 1
269 1 63 LEU H 1 65 GLN H 5.312 . 5.312 4.680 4.488 4.980 . 0 0 "[ . 1 . ]" 1
270 1 63 LEU QD 1 67 PHE QD 3.924 . 3.924 3.388 3.081 3.940 0.015 4 0 "[ . 1 . ]" 1
271 1 64 HIS HA 1 65 GLN H 4.321 . 4.321 3.569 3.565 3.572 . 0 0 "[ . 1 . ]" 1
272 1 64 HIS HA 1 67 PHE HB2 5.500 . 5.500 3.933 3.460 4.485 . 0 0 "[ . 1 . ]" 1
273 1 64 HIS HA 1 76 ILE MD 3.492 . 3.492 2.008 1.888 2.675 0.012 9 0 "[ . 1 . ]" 1
274 1 64 HIS HA 1 89 LEU QD 5.500 . 5.500 3.934 3.345 4.900 . 0 0 "[ . 1 . ]" 1
275 1 64 HIS HA 1 64 HIS QB 2.972 . 2.972 2.332 2.268 2.397 . 0 0 "[ . 1 . ]" 1
276 1 64 HIS HB3 1 65 GLN H 4.600 . 4.600 2.235 1.978 2.420 . 0 0 "[ . 1 . ]" 1
277 1 64 HIS H 1 64 HIS HB2 4.147 . 4.147 2.651 2.465 2.847 . 0 0 "[ . 1 . ]" 1
278 1 64 HIS QB 1 73 VAL MG1 5.500 . 5.500 4.090 3.280 4.707 . 0 0 "[ . 1 . ]" 1
279 1 64 HIS HB2 1 76 ILE MD 4.866 . 4.866 2.264 1.893 3.702 0.007 15 0 "[ . 1 . ]" 1
280 1 64 HIS HA 1 64 HIS HD2 4.829 . 4.829 2.729 2.379 3.244 . 0 0 "[ . 1 . ]" 1
281 1 64 HIS HD2 1 73 VAL HB 3.401 . 3.401 2.043 1.888 2.240 0.012 9 0 "[ . 1 . ]" 1
282 1 64 HIS HD2 1 73 VAL MG2 5.500 . 5.500 2.591 2.061 3.292 . 0 0 "[ . 1 . ]" 1
283 1 64 HIS HD2 1 73 VAL MG1 3.426 . 3.426 2.773 2.298 3.190 . 0 0 "[ . 1 . ]" 1
284 1 64 HIS HD2 1 76 ILE MD 4.991 . 4.991 2.741 2.208 3.705 . 0 0 "[ . 1 . ]" 1
285 1 64 HIS HD2 1 138 TYR QD 5.500 . 5.500 3.457 2.406 4.298 . 0 0 "[ . 1 . ]" 1
286 1 64 HIS HD2 1 138 TYR QE 4.850 . 4.850 2.793 1.964 4.119 . 0 0 "[ . 1 . ]" 1
287 1 64 HIS H 1 65 GLN H 3.190 . 3.190 2.784 2.606 2.996 . 0 0 "[ . 1 . ]" 1
288 1 65 GLN H 1 65 GLN HA 3.049 . 3.049 2.784 2.716 2.809 . 0 0 "[ . 1 . ]" 1
289 1 65 GLN HA 1 66 ILE H 4.344 . 4.344 3.409 3.368 3.465 . 0 0 "[ . 1 . ]" 1
290 1 65 GLN QB 1 66 ILE HA 5.500 . 5.500 4.054 3.851 4.647 . 0 0 "[ . 1 . ]" 1
291 1 65 GLN QB 1 66 ILE H 3.178 . 3.178 3.123 2.969 3.186 0.008 6 0 "[ . 1 . ]" 1
292 1 65 GLN HA 1 65 GLN QB 2.700 . 2.700 2.456 2.181 2.539 . 0 0 "[ . 1 . ]" 1
293 1 65 GLN H 1 65 GLN QB 2.500 . 2.500 2.156 2.047 2.265 . 0 0 "[ . 1 . ]" 1
294 1 65 GLN HA 1 65 GLN QG 3.757 . 3.757 2.280 2.048 2.909 . 0 0 "[ . 1 . ]" 1
295 1 65 GLN H 1 65 GLN QG 3.578 . 3.578 3.044 2.670 3.624 0.046 6 0 "[ . 1 . ]" 1
296 1 65 GLN H 1 66 ILE H 3.058 . 3.058 2.698 2.618 2.844 . 0 0 "[ . 1 . ]" 1
297 1 65 GLN H 1 67 PHE H 5.500 . 5.500 5.032 4.943 5.132 . 0 0 "[ . 1 . ]" 1
298 1 66 ILE HA 1 66 ILE QG 3.161 . 3.161 2.256 2.053 2.581 . 0 0 "[ . 1 . ]" 1
299 1 66 ILE HA 1 66 ILE MG 2.962 . 2.962 2.681 2.612 2.793 . 0 0 "[ . 1 . ]" 1
300 1 66 ILE HB 1 67 PHE QD 4.626 . 4.626 3.256 2.634 3.921 . 0 0 "[ . 1 . ]" 1
301 1 66 ILE HB 1 67 PHE H 3.696 . 3.696 2.370 2.261 2.577 . 0 0 "[ . 1 . ]" 1
302 1 66 ILE MG 1 104 LEU MD2 2.500 . 2.500 2.425 2.166 2.509 0.009 3 0 "[ . 1 . ]" 1
303 1 66 ILE MD 1 66 ILE MG 5.500 . 5.500 1.868 1.825 1.959 0.075 8 0 "[ . 1 . ]" 1
304 1 66 ILE H 1 66 ILE QG 2.996 . 2.996 2.847 2.726 2.991 . 0 0 "[ . 1 . ]" 1
305 1 66 ILE H 1 66 ILE MG 3.888 . 3.888 3.616 3.527 3.662 . 0 0 "[ . 1 . ]" 1
306 1 66 ILE MG 1 67 PHE HA 4.284 . 4.284 2.831 2.738 2.907 . 0 0 "[ . 1 . ]" 1
307 1 66 ILE MG 1 67 PHE HB3 5.500 . 5.500 4.265 4.092 4.437 . 0 0 "[ . 1 . ]" 1
308 1 66 ILE MG 1 67 PHE QD 4.991 . 4.991 2.379 1.918 2.902 . 0 0 "[ . 1 . ]" 1
309 1 66 ILE MG 1 67 PHE QE 3.617 . 3.617 3.074 2.442 3.621 0.004 2 0 "[ . 1 . ]" 1
310 1 66 ILE MG 1 67 PHE H 4.331 . 4.331 2.203 1.945 2.358 . 0 0 "[ . 1 . ]" 1
311 1 66 ILE MG 1 68 SER H 4.071 . 4.071 4.136 4.075 4.192 0.121 3 0 "[ . 1 . ]" 1
312 1 66 ILE MG 1 69 LYS H 5.141 . 5.141 4.682 4.488 4.958 . 0 0 "[ . 1 . ]" 1
313 1 66 ILE MG 1 89 LEU QD 5.500 . 5.500 4.126 3.705 4.517 . 0 0 "[ . 1 . ]" 1
314 1 66 ILE MG 1 109 ILE MG 5.500 . 5.500 4.241 3.680 4.783 . 0 0 "[ . 1 . ]" 1
315 1 66 ILE H 1 66 ILE HB 3.075 . 3.075 2.228 2.141 2.280 . 0 0 "[ . 1 . ]" 1
316 1 66 ILE H 1 67 PHE H 3.152 . 3.152 2.810 2.716 2.931 . 0 0 "[ . 1 . ]" 1
317 1 66 ILE MD 1 67 PHE HA 5.500 . 5.500 5.436 5.117 5.588 0.088 14 0 "[ . 1 . ]" 1
318 1 66 ILE MD 1 67 PHE QE 5.500 . 5.500 4.769 3.884 5.508 0.008 12 0 "[ . 1 . ]" 1
319 1 66 ILE MD 1 104 LEU QD 5.500 . 5.500 3.017 2.623 3.382 . 0 0 "[ . 1 . ]" 1
320 1 66 ILE MD 1 109 ILE MG 2.500 . 2.500 2.265 1.946 2.506 0.006 14 0 "[ . 1 . ]" 1
321 1 67 PHE HA 1 69 LYS H 4.614 . 4.614 3.364 3.252 3.534 . 0 0 "[ . 1 . ]" 1
322 1 67 PHE HA 1 70 PHE HB3 5.500 . 5.500 5.144 4.814 5.504 0.004 1 0 "[ . 1 . ]" 1
323 1 67 PHE HA 1 70 PHE H 5.102 . 5.102 3.239 3.039 3.494 . 0 0 "[ . 1 . ]" 1
324 1 67 PHE HA 1 89 LEU QD 5.500 . 5.500 4.101 3.857 4.443 . 0 0 "[ . 1 . ]" 1
325 1 67 PHE HA 1 91 TYR QE 5.500 . 5.500 4.274 3.973 4.675 . 0 0 "[ . 1 . ]" 1
326 1 67 PHE HA 1 91 TYR HH 4.048 . 4.048 2.874 2.543 3.277 . 0 0 "[ . 1 . ]" 1
327 1 67 PHE HA 1 100 ALA MB 5.500 . 5.500 3.919 3.728 4.144 . 0 0 "[ . 1 . ]" 1
328 1 67 PHE HA 1 104 LEU QD 4.635 . 4.635 3.035 2.690 3.482 . 0 0 "[ . 1 . ]" 1
329 1 67 PHE H 1 67 PHE HB2 3.545 . 3.545 2.253 2.180 2.419 . 0 0 "[ . 1 . ]" 1
330 1 67 PHE HB3 1 73 VAL MG2 3.819 . 3.819 2.758 2.099 3.314 . 0 0 "[ . 1 . ]" 1
331 1 67 PHE HB3 1 89 LEU QD 3.383 . 3.383 2.374 1.980 2.734 . 0 0 "[ . 1 . ]" 1
332 1 67 PHE HB3 1 91 TYR QE 5.500 . 5.500 3.169 3.043 3.309 . 0 0 "[ . 1 . ]" 1
333 1 67 PHE HB3 1 91 TYR HH 4.431 . 4.431 2.694 2.366 3.078 . 0 0 "[ . 1 . ]" 1
334 1 67 PHE QD 1 104 LEU QD 5.500 . 5.500 3.069 2.517 3.725 . 0 0 "[ . 1 . ]" 1
335 1 67 PHE QD 1 100 ALA MB 2.898 . 2.898 2.543 1.900 2.909 0.011 2 0 "[ . 1 . ]" 1
336 1 67 PHE HA 1 67 PHE QD 3.282 . 3.282 2.941 2.700 3.126 . 0 0 "[ . 1 . ]" 1
337 1 67 PHE H 1 67 PHE QD 3.334 . 3.334 2.524 1.996 2.931 . 0 0 "[ . 1 . ]" 1
338 1 67 PHE QD 1 68 SER H 5.205 . 5.205 4.526 4.129 4.809 . 0 0 "[ . 1 . ]" 1
339 1 67 PHE QD 1 89 LEU QD 3.515 . 3.515 2.411 2.170 2.787 . 0 0 "[ . 1 . ]" 1
340 1 67 PHE QD 1 91 TYR QE 4.448 . 4.448 2.523 2.165 3.227 . 0 0 "[ . 1 . ]" 1
341 1 67 PHE QD 1 91 TYR HH 5.500 . 5.500 3.337 2.934 4.023 . 0 0 "[ . 1 . ]" 1
342 1 67 PHE H 1 89 LEU QD 5.500 . 5.500 3.820 3.307 4.166 . 0 0 "[ . 1 . ]" 1
343 1 67 PHE H 1 91 TYR HH 5.453 . 5.453 5.005 4.935 5.227 . 0 0 "[ . 1 . ]" 1
344 1 67 PHE QE 1 100 ALA MB 4.437 . 4.437 2.761 1.991 3.652 . 0 0 "[ . 1 . ]" 1
345 1 67 PHE QE 1 104 LEU QD 4.390 . 4.390 2.677 2.230 3.453 . 0 0 "[ . 1 . ]" 1
346 1 68 SER HA 1 69 LYS H 4.214 . 4.214 3.353 3.241 3.462 . 0 0 "[ . 1 . ]" 1
347 1 68 SER HA 1 70 PHE H 4.750 . 4.750 4.589 4.459 4.691 . 0 0 "[ . 1 . ]" 1
348 1 68 SER HA 1 71 GLY H 3.504 . 3.504 3.544 3.516 3.582 0.078 15 0 "[ . 1 . ]" 1
349 1 68 SER HA 1 73 VAL MG2 3.098 . 3.098 1.912 1.893 1.996 0.007 6 0 "[ . 1 . ]" 1
350 1 68 SER HA 1 73 VAL H 5.005 . 5.005 3.149 2.420 3.420 . 0 0 "[ . 1 . ]" 1
351 1 68 SER HA 1 91 TYR QE 5.500 . 5.500 3.226 3.013 3.525 . 0 0 "[ . 1 . ]" 1
352 1 68 SER HA 1 91 TYR HH 5.500 . 5.500 3.713 3.387 3.931 . 0 0 "[ . 1 . ]" 1
353 1 68 SER HA 1 68 SER QB 2.500 . 2.500 2.301 2.191 2.384 . 0 0 "[ . 1 . ]" 1
354 1 68 SER H 1 69 LYS HB2 5.028 . 5.028 4.649 4.312 4.973 . 0 0 "[ . 1 . ]" 1
355 1 68 SER H 1 69 LYS H 2.844 . 2.844 2.703 2.562 2.848 0.004 3 0 "[ . 1 . ]" 1
356 1 68 SER H 1 70 PHE H 5.224 . 5.224 4.565 4.455 4.677 . 0 0 "[ . 1 . ]" 1
357 1 68 SER H 1 73 VAL MG2 5.500 . 5.500 2.748 2.461 3.024 . 0 0 "[ . 1 . ]" 1
358 1 68 SER H 1 73 VAL MG1 5.500 . 5.500 4.757 4.533 4.985 . 0 0 "[ . 1 . ]" 1
359 1 69 LYS HA 1 70 PHE H 4.509 . 4.509 3.542 3.528 3.552 . 0 0 "[ . 1 . ]" 1
360 1 69 LYS HA 1 91 TYR HH 5.500 . 5.500 5.546 5.528 5.578 0.078 15 0 "[ . 1 . ]" 1
361 1 69 LYS HA 1 69 LYS HB2 2.500 . 2.500 2.568 2.550 2.581 0.081 2 0 "[ . 1 . ]" 1
362 1 69 LYS H 1 69 LYS HB2 2.500 . 2.500 2.445 2.344 2.518 0.018 12 0 "[ . 1 . ]" 1
363 1 69 LYS HB2 1 70 PHE H 3.931 . 3.931 3.598 3.530 3.658 . 0 0 "[ . 1 . ]" 1
364 1 69 LYS HB3 1 70 PHE HZ 5.500 . 5.500 5.264 4.953 5.508 0.008 15 0 "[ . 1 . ]" 1
365 1 69 LYS HB2 1 71 GLY H 5.057 . 5.057 5.122 5.102 5.149 0.092 15 0 "[ . 1 . ]" 1
366 1 69 LYS HA 1 69 LYS QG 2.577 . 2.577 2.280 2.175 2.381 . 0 0 "[ . 1 . ]" 1
367 1 69 LYS H 1 69 LYS QG 4.066 . 4.066 3.980 3.920 4.020 . 0 0 "[ . 1 . ]" 1
368 1 69 LYS QD 1 70 PHE HZ 5.500 . 5.500 4.756 4.073 5.480 . 0 0 "[ . 1 . ]" 1
369 1 69 LYS QE 1 70 PHE HZ 5.500 . 5.500 4.580 3.216 5.501 0.001 15 0 "[ . 1 . ]" 1
370 1 69 LYS H 1 70 PHE H 2.706 . 2.706 2.430 2.290 2.594 . 0 0 "[ . 1 . ]" 1
371 1 69 LYS H 1 71 GLY H 4.612 . 4.612 3.478 3.279 3.690 . 0 0 "[ . 1 . ]" 1
372 1 70 PHE HA 1 70 PHE HB3 2.956 . 2.956 2.495 2.447 2.539 . 0 0 "[ . 1 . ]" 1
373 1 70 PHE HA 1 71 GLY H 3.758 . 3.758 3.337 3.310 3.362 . 0 0 "[ . 1 . ]" 1
374 1 70 PHE HA 1 70 PHE QD 4.332 . 4.332 2.934 2.725 3.109 . 0 0 "[ . 1 . ]" 1
375 1 70 PHE HB2 1 91 TYR HH 4.379 . 4.379 2.414 2.300 2.538 . 0 0 "[ . 1 . ]" 1
376 1 70 PHE QB 1 100 ALA MB 2.943 . 2.943 1.918 1.891 1.998 0.009 5 0 "[ . 1 . ]" 1
377 1 70 PHE HB3 1 71 GLY H 4.859 . 4.859 4.187 4.128 4.252 . 0 0 "[ . 1 . ]" 1
378 1 70 PHE H 1 70 PHE HB2 3.383 . 3.383 2.438 2.360 2.526 . 0 0 "[ . 1 . ]" 1
379 1 70 PHE H 1 71 GLY H 2.500 . 2.500 2.530 2.510 2.551 0.051 3 0 "[ . 1 . ]" 1
380 1 70 PHE H 1 91 TYR QE 4.646 . 4.646 4.466 4.299 4.620 . 0 0 "[ . 1 . ]" 1
381 1 70 PHE H 1 91 TYR HH 3.715 . 3.715 2.851 2.701 2.980 . 0 0 "[ . 1 . ]" 1
382 1 70 PHE QD 1 99 HIS QB 3.833 . 3.833 3.663 3.066 3.837 0.004 15 0 "[ . 1 . ]" 1
383 1 70 PHE QD 1 104 LEU QD 4.756 . 4.756 2.673 2.339 3.250 . 0 0 "[ . 1 . ]" 1
384 1 70 PHE QE 1 99 HIS QB 5.500 . 5.500 4.682 3.941 5.010 . 0 0 "[ . 1 . ]" 1
385 1 70 PHE QE 1 100 ALA HA 5.500 . 5.500 3.723 3.469 3.990 . 0 0 "[ . 1 . ]" 1
386 1 70 PHE QE 1 103 SER QB 4.413 . 4.413 2.162 1.924 2.714 . 0 0 "[ . 1 . ]" 1
387 1 70 PHE QE 1 104 LEU QD 3.212 . 3.212 1.960 1.905 2.193 . 0 0 "[ . 1 . ]" 1
388 1 70 PHE HZ 1 103 SER QB 3.206 . 3.206 2.550 2.111 3.104 . 0 0 "[ . 1 . ]" 1
389 1 70 PHE HZ 1 104 LEU QD 3.486 . 3.486 2.940 2.447 3.348 . 0 0 "[ . 1 . ]" 1
390 1 71 GLY H 1 71 GLY QA 2.547 . 2.547 2.498 2.489 2.506 . 0 0 "[ . 1 . ]" 1
391 1 71 GLY H 1 91 TYR QE 3.598 . 3.598 3.164 2.887 3.355 . 0 0 "[ . 1 . ]" 1
392 1 71 GLY H 1 91 TYR HH 4.787 . 4.787 2.651 2.532 2.765 . 0 0 "[ . 1 . ]" 1
393 1 71 GLY QA 1 96 SER QB 3.304 . 3.304 2.373 2.025 2.696 . 0 0 "[ . 1 . ]" 1
394 1 72 THR HA 1 72 THR MG 2.651 . 2.651 2.038 2.026 2.071 . 0 0 "[ . 1 . ]" 1
395 1 72 THR HA 1 73 VAL HB 5.500 . 5.500 4.737 4.666 4.819 . 0 0 "[ . 1 . ]" 1
396 1 72 THR HA 1 73 VAL QG 4.534 . 4.534 3.530 3.394 3.699 . 0 0 "[ . 1 . ]" 1
397 1 72 THR HA 1 73 VAL H 2.500 . 2.500 2.141 2.125 2.163 . 0 0 "[ . 1 . ]" 1
398 1 72 THR HA 1 74 LEU H 5.500 . 5.500 5.516 5.504 5.536 0.036 9 0 "[ . 1 . ]" 1
399 1 72 THR HB 1 73 VAL H 5.500 . 5.500 3.926 3.851 4.203 . 0 0 "[ . 1 . ]" 1
400 1 72 THR HB 1 92 ALA MB 2.500 . 2.500 2.375 2.183 2.509 0.009 4 0 "[ . 1 . ]" 1
401 1 72 THR HB 1 92 ALA H 4.063 . 4.063 3.919 3.629 4.074 0.011 15 0 "[ . 1 . ]" 1
402 1 72 THR H 1 72 THR MG 5.500 . 5.500 3.705 3.692 3.729 . 0 0 "[ . 1 . ]" 1
403 1 72 THR MG 1 73 VAL H . . 3.150 2.745 2.580 3.177 0.027 14 0 "[ . 1 . ]" 1
404 1 72 THR MG 1 74 LEU QD 2.983 . 2.983 2.874 2.812 2.897 . 0 0 "[ . 1 . ]" 1
405 1 72 THR MG 1 92 ALA MB 5.500 . 5.500 3.627 3.408 3.795 . 0 0 "[ . 1 . ]" 1
406 1 73 VAL HA 1 73 VAL QG 2.500 . 2.500 2.056 2.027 2.139 . 0 0 "[ . 1 . ]" 1
407 1 73 VAL HA 1 74 LEU H 2.564 . 2.564 2.148 2.136 2.157 . 0 0 "[ . 1 . ]" 1
408 1 73 VAL HA 1 75 LYS H 4.398 . 4.398 3.998 3.867 4.253 . 0 0 "[ . 1 . ]" 1
409 1 73 VAL HA 1 89 LEU QD 5.500 . 5.500 3.230 2.750 3.806 . 0 0 "[ . 1 . ]" 1
410 1 73 VAL HA 1 91 TYR HA 3.021 . 3.021 2.899 2.762 3.000 . 0 0 "[ . 1 . ]" 1
411 1 73 VAL HA 1 91 TYR QD 5.500 . 5.500 2.919 2.783 3.010 . 0 0 "[ . 1 . ]" 1
412 1 73 VAL HA 1 92 ALA H 4.538 . 4.538 4.468 4.222 4.550 0.011 3 0 "[ . 1 . ]" 1
413 1 73 VAL H 1 73 VAL HB 2.806 . 2.806 2.628 2.554 2.703 . 0 0 "[ . 1 . ]" 1
414 1 73 VAL HB 1 91 TYR QD 5.500 . 5.500 5.515 5.501 5.522 0.022 2 0 "[ . 1 . ]" 1
415 1 73 VAL HB 1 91 TYR QE 5.500 . 5.500 5.181 5.015 5.363 . 0 0 "[ . 1 . ]" 1
416 1 73 VAL MG2 1 74 LEU H 4.190 . 4.190 4.230 4.206 4.265 0.075 12 0 "[ . 1 . ]" 1
417 1 73 VAL MG1 1 74 LEU H 3.405 . 3.405 3.079 2.962 3.171 . 0 0 "[ . 1 . ]" 1
418 1 73 VAL QG 1 76 ILE MD 2.500 . 2.500 2.010 1.890 2.278 0.010 9 0 "[ . 1 . ]" 1
419 1 73 VAL MG1 1 89 LEU QD 2.983 . 2.983 2.050 1.892 2.588 0.008 5 0 "[ . 1 . ]" 1
420 1 73 VAL MG2 1 89 LEU QD 2.983 . 2.983 2.470 2.090 2.848 . 0 0 "[ . 1 . ]" 1
421 1 73 VAL MG2 1 91 TYR HA 5.500 . 5.500 4.186 3.992 4.335 . 0 0 "[ . 1 . ]" 1
422 1 73 VAL QG 1 91 TYR QD 4.695 . 4.695 3.216 3.118 3.344 . 0 0 "[ . 1 . ]" 1
423 1 73 VAL MG2 1 91 TYR QE 3.363 . 3.363 2.361 2.208 2.504 . 0 0 "[ . 1 . ]" 1
424 1 73 VAL MG1 1 91 TYR HH 5.500 . 5.500 5.526 5.517 5.539 0.039 15 0 "[ . 1 . ]" 1
425 1 73 VAL MG2 1 91 TYR HH 4.794 . 4.794 3.470 3.307 3.665 . 0 0 "[ . 1 . ]" 1
426 1 73 VAL MG1 1 138 TYR QD 2.500 . 2.500 2.503 2.481 2.514 0.014 15 0 "[ . 1 . ]" 1
427 1 73 VAL MG1 1 138 TYR QE 4.066 . 4.066 2.608 2.015 3.015 . 0 0 "[ . 1 . ]" 1
428 1 73 VAL H 1 73 VAL MG2 2.791 . 2.791 2.366 2.164 2.486 . 0 0 "[ . 1 . ]" 1
429 1 73 VAL QG 1 75 LYS H 3.157 . 3.157 2.827 2.664 3.117 . 0 0 "[ . 1 . ]" 1
430 1 73 VAL MG1 1 90 GLN H 4.866 . 4.866 3.097 2.681 3.779 . 0 0 "[ . 1 . ]" 1
431 1 73 VAL QG 1 92 ALA H 5.160 . 5.160 4.993 4.858 5.112 . 0 0 "[ . 1 . ]" 1
432 1 74 LEU HA 1 75 LYS H 5.163 . 5.163 3.565 3.556 3.575 . 0 0 "[ . 1 . ]" 1
433 1 74 LEU H 1 75 LYS H 2.778 . 2.778 2.790 2.775 2.812 0.034 2 0 "[ . 1 . ]" 1
434 1 74 LEU H 1 90 GLN H 5.080 . 5.080 4.349 4.017 4.991 . 0 0 "[ . 1 . ]" 1
435 1 74 LEU H 1 91 TYR HA 3.788 . 3.788 3.089 2.838 3.333 . 0 0 "[ . 1 . ]" 1
436 1 74 LEU H 1 92 ALA H 4.996 . 4.996 4.345 3.947 4.631 . 0 0 "[ . 1 . ]" 1
437 1 74 LEU H 1 74 LEU QD 4.823 . 4.823 2.152 1.900 2.705 0.000 8 0 "[ . 1 . ]" 1
438 1 74 LEU H 1 74 LEU HG 4.578 . 4.578 3.572 1.899 4.116 0.001 5 0 "[ . 1 . ]" 1
439 1 74 LEU QD 1 90 GLN QG 4.662 . 4.662 2.201 1.896 2.643 0.004 9 0 "[ . 1 . ]" 1
440 1 74 LEU QD 1 90 GLN QE 4.147 . 4.147 4.097 3.975 4.161 0.014 10 0 "[ . 1 . ]" 1
441 1 74 LEU QD 1 92 ALA HA 2.500 . 2.500 2.046 1.892 2.392 0.008 5 0 "[ . 1 . ]" 1
442 1 74 LEU QD 1 92 ALA MB 2.500 . 2.500 2.015 1.896 2.382 0.004 15 0 "[ . 1 . ]" 1
443 1 74 LEU QD 1 92 ALA H 5.500 . 5.500 3.148 2.873 3.741 . 0 0 "[ . 1 . ]" 1
444 1 74 LEU QD 1 139 THR MG 5.500 . 5.500 3.892 2.749 4.631 . 0 0 "[ . 1 . ]" 1
445 1 75 LYS HA 1 137 ASP HA 3.540 . 3.540 2.338 1.903 2.772 . 0 0 "[ . 1 . ]" 1
446 1 75 LYS HA 1 138 TYR QD 3.608 . 3.608 3.062 2.551 3.455 . 0 0 "[ . 1 . ]" 1
447 1 75 LYS HA 1 138 TYR H 4.279 . 4.279 2.375 1.968 3.205 . 0 0 "[ . 1 . ]" 1
448 1 75 LYS HA 1 76 ILE H 2.581 . 2.581 2.464 2.373 2.538 . 0 0 "[ . 1 . ]" 1
449 1 75 LYS HA 1 75 LYS QB 3.917 . 3.917 2.352 2.252 2.442 . 0 0 "[ . 1 . ]" 1
450 1 75 LYS QB 1 76 ILE H 4.085 . 4.085 2.269 2.141 2.531 . 0 0 "[ . 1 . ]" 1
451 1 75 LYS QB 1 126 LEU QD 4.379 . 4.379 2.682 1.915 3.644 . 0 0 "[ . 1 . ]" 1
452 1 75 LYS QG 1 137 ASP HA 2.802 . 2.802 2.514 2.080 2.809 0.007 4 0 "[ . 1 . ]" 1
453 1 75 LYS HA 1 75 LYS QG 4.541 . 4.541 2.442 2.259 2.721 . 0 0 "[ . 1 . ]" 1
454 1 75 LYS H 1 75 LYS QG 4.110 . 4.110 3.294 2.510 3.734 . 0 0 "[ . 1 . ]" 1
455 1 75 LYS QD 1 126 LEU QD 4.379 . 4.379 3.380 2.226 4.383 0.004 8 0 "[ . 1 . ]" 1
456 1 75 LYS H 1 75 LYS QB 4.485 . 4.485 2.797 2.643 2.989 . 0 0 "[ . 1 . ]" 1
457 1 75 LYS H 1 76 ILE H 4.915 . 4.915 4.415 4.400 4.454 . 0 0 "[ . 1 . ]" 1
458 1 75 LYS H 1 90 GLN QB 3.990 . 3.990 2.830 1.942 3.299 . 0 0 "[ . 1 . ]" 1
459 1 75 LYS H 1 90 GLN H 3.617 . 3.617 2.929 2.572 3.282 . 0 0 "[ . 1 . ]" 1
460 1 75 LYS H 1 91 TYR HA 5.473 . 5.473 5.076 4.694 5.362 . 0 0 "[ . 1 . ]" 1
461 1 76 ILE HA 1 126 LEU QD 4.601 . 4.601 3.251 2.409 4.094 . 0 0 "[ . 1 . ]" 1
462 1 76 ILE HA 1 136 ARG H 5.500 . 5.500 4.960 4.696 5.317 . 0 0 "[ . 1 . ]" 1
463 1 76 ILE HA 1 76 ILE MG 2.644 . 2.644 2.463 2.401 2.511 . 0 0 "[ . 1 . ]" 1
464 1 76 ILE HA 1 76 ILE MD 5.500 . 5.500 3.616 3.543 3.707 . 0 0 "[ . 1 . ]" 1
465 1 76 ILE HA 1 76 ILE QG 4.147 . 4.147 2.221 2.175 2.262 . 0 0 "[ . 1 . ]" 1
466 1 76 ILE HA 1 77 ILE H 2.587 . 2.587 2.259 2.150 2.341 . 0 0 "[ . 1 . ]" 1
467 1 76 ILE HA 1 89 LEU HA 4.136 . 4.136 2.497 2.105 3.148 . 0 0 "[ . 1 . ]" 1
468 1 76 ILE HB 1 136 ARG QG 5.500 . 5.500 3.758 3.492 4.234 . 0 0 "[ . 1 . ]" 1
469 1 76 ILE HB 1 138 TYR QE 5.500 . 5.500 2.778 1.897 3.017 0.003 4 0 "[ . 1 . ]" 1
470 1 76 ILE QG 1 138 TYR QE 3.644 . 3.644 1.913 1.895 1.972 0.005 15 0 "[ . 1 . ]" 1
471 1 76 ILE QG 1 89 LEU QD 3.671 . 3.671 2.804 1.895 3.258 0.005 10 0 "[ . 1 . ]" 1
472 1 76 ILE MG 1 136 ARG QB 3.248 . 3.248 3.254 3.245 3.267 0.020 15 0 "[ . 1 . ]" 1
473 1 76 ILE MG 1 136 ARG QG 5.500 . 5.500 4.443 4.319 4.568 . 0 0 "[ . 1 . ]" 1
474 1 76 ILE MG 1 138 TYR QE 5.500 . 5.500 3.771 3.322 4.052 . 0 0 "[ . 1 . ]" 1
475 1 76 ILE MG 1 77 ILE H 3.219 . 3.219 2.127 1.898 2.647 0.002 1 0 "[ . 1 . ]" 1
476 1 76 ILE MG 1 89 LEU HA 4.424 . 4.424 3.967 3.593 4.228 . 0 0 "[ . 1 . ]" 1
477 1 76 ILE MG 1 89 LEU QD 4.213 . 4.213 3.682 3.079 3.967 . 0 0 "[ . 1 . ]" 1
478 1 76 ILE MD 1 89 LEU HA 5.500 . 5.500 4.349 3.660 4.769 . 0 0 "[ . 1 . ]" 1
479 1 76 ILE MD 1 89 LEU QD 2.500 . 2.500 2.481 2.269 2.528 0.028 15 0 "[ . 1 . ]" 1
480 1 76 ILE MD 1 138 TYR QE 2.933 . 2.933 2.210 1.896 2.831 0.004 15 0 "[ . 1 . ]" 1
481 1 76 ILE H 1 76 ILE MG 5.500 . 5.500 3.878 3.827 3.924 . 0 0 "[ . 1 . ]" 1
482 1 76 ILE H 1 136 ARG H 3.446 . 3.446 3.256 2.841 3.459 0.014 15 0 "[ . 1 . ]" 1
483 1 76 ILE H 1 137 ASP HA 5.500 . 5.500 3.218 2.614 3.642 . 0 0 "[ . 1 . ]" 1
484 1 76 ILE H 1 138 TYR QD 4.923 . 4.923 4.565 3.911 4.735 . 0 0 "[ . 1 . ]" 1
485 1 76 ILE H 1 138 TYR QE 4.683 . 4.683 4.358 3.588 4.695 0.013 15 0 "[ . 1 . ]" 1
486 1 77 ILE HA 1 135 SER HA 2.911 . 2.911 2.145 1.888 2.707 0.012 15 0 "[ . 1 . ]" 1
487 1 77 ILE HA 1 136 ARG H 4.179 . 4.179 3.299 2.945 3.539 . 0 0 "[ . 1 . ]" 1
488 1 77 ILE HA 1 78 THR H 2.728 . 2.728 2.311 2.142 2.440 . 0 0 "[ . 1 . ]" 1
489 1 77 ILE HB 1 78 THR H 5.184 . 5.184 3.596 3.084 4.136 . 0 0 "[ . 1 . ]" 1
490 1 77 ILE QG 1 126 LEU QD 2.893 . 2.893 2.710 1.920 2.906 0.013 6 0 "[ . 1 . ]" 1
491 1 77 ILE QG 1 135 SER QB 3.617 . 3.617 2.851 1.948 3.629 0.012 10 0 "[ . 1 . ]" 1
492 1 77 ILE MG 1 79 PHE QD 3.632 . 3.632 2.589 1.899 2.949 0.001 10 0 "[ . 1 . ]" 1
493 1 77 ILE MG 1 79 PHE QE 4.146 . 4.146 3.403 2.209 4.147 0.001 14 0 "[ . 1 . ]" 1
494 1 77 ILE MG 1 135 SER HA 4.690 . 4.690 2.658 1.918 3.348 . 0 0 "[ . 1 . ]" 1
495 1 77 ILE MG 1 135 SER QB 3.508 . 3.508 2.743 2.179 3.515 0.006 10 0 "[ . 1 . ]" 1
496 1 77 ILE MG 1 136 ARG H 4.843 . 4.843 4.207 3.873 4.639 . 0 0 "[ . 1 . ]" 1
497 1 77 ILE MG 1 78 THR H 3.146 . 3.146 1.984 1.892 2.631 0.008 16 0 "[ . 1 . ]" 1
498 1 77 ILE MD 1 128 VAL HA 4.488 . 4.488 2.720 1.899 3.465 0.001 2 0 "[ . 1 . ]" 1
499 1 77 ILE MD 1 135 SER QB 5.500 . 5.500 2.925 1.881 4.185 0.019 10 0 "[ . 1 . ]" 1
500 1 77 ILE H 1 77 ILE QG 5.500 . 5.500 2.793 2.537 3.149 . 0 0 "[ . 1 . ]" 1
501 1 77 ILE H 1 77 ILE MG 4.908 . 4.908 3.970 3.895 4.038 . 0 0 "[ . 1 . ]" 1
502 1 77 ILE H 1 78 THR MG 5.500 . 5.500 3.784 3.636 3.994 . 0 0 "[ . 1 . ]" 1
503 1 77 ILE H 1 89 LEU QD 5.231 . 5.231 4.947 4.212 5.234 0.003 14 0 "[ . 1 . ]" 1
504 1 77 ILE H 1 126 LEU QD 4.662 . 4.662 3.673 3.024 4.140 . 0 0 "[ . 1 . ]" 1
505 1 78 THR HA 1 78 THR MG 2.746 . 2.746 2.313 2.196 2.604 . 0 0 "[ . 1 . ]" 1
506 1 78 THR HA 1 79 PHE QD 4.498 . 4.498 3.246 2.691 4.205 . 0 0 "[ . 1 . ]" 1
507 1 78 THR HA 1 79 PHE QE 5.500 . 5.500 4.218 3.857 4.823 . 0 0 "[ . 1 . ]" 1
508 1 78 THR HA 1 79 PHE H 2.500 . 2.500 2.273 2.253 2.344 . 0 0 "[ . 1 . ]" 1
509 1 78 THR HA 1 87 ALA HA 3.129 . 3.129 2.185 1.938 2.473 . 0 0 "[ . 1 . ]" 1
510 1 78 THR HA 1 88 LEU H 4.064 . 4.064 3.573 3.245 3.990 . 0 0 "[ . 1 . ]" 1
511 1 78 THR HA 1 78 THR HB 2.518 . 2.518 2.470 2.333 2.528 0.010 15 0 "[ . 1 . ]" 1
512 1 78 THR HB 1 79 PHE H 2.774 . 2.774 2.742 2.568 2.796 0.023 3 0 "[ . 1 . ]" 1
513 1 78 THR HB 1 87 ALA HA 5.500 . 5.500 4.030 3.371 4.489 . 0 0 "[ . 1 . ]" 1
514 1 78 THR HB 1 87 ALA MB 4.224 . 4.224 3.499 3.223 3.887 . 0 0 "[ . 1 . ]" 1
515 1 78 THR MG 1 134 LYS HA 4.858 . 4.858 4.730 4.397 4.862 0.004 6 0 "[ . 1 . ]" 1
516 1 78 THR MG 1 79 PHE H 4.678 . 4.678 3.780 3.665 3.992 . 0 0 "[ . 1 . ]" 1
517 1 78 THR MG 1 87 ALA HA 3.319 . 3.319 2.569 1.902 3.144 . 0 0 "[ . 1 . ]" 1
518 1 78 THR MG 1 86 GLN H 5.044 . 5.044 4.980 4.646 5.050 0.006 3 0 "[ . 1 . ]" 1
519 1 78 THR MG 1 88 LEU H 5.500 . 5.500 3.766 3.113 4.269 . 0 0 "[ . 1 . ]" 1
520 1 78 THR H 1 135 SER HA 4.896 . 4.896 3.296 2.895 4.041 . 0 0 "[ . 1 . ]" 1
521 1 78 THR H 1 135 SER QB 5.500 . 5.500 4.530 3.838 5.069 . 0 0 "[ . 1 . ]" 1
522 1 78 THR H 1 78 THR MG 3.664 . 3.664 3.101 2.555 3.258 . 0 0 "[ . 1 . ]" 1
523 1 79 PHE HA 1 79 PHE QD 5.500 . 5.500 3.692 3.646 3.726 . 0 0 "[ . 1 . ]" 1
524 1 79 PHE HA 1 79 PHE QB 2.500 . 2.500 2.181 2.172 2.185 . 0 0 "[ . 1 . ]" 1
525 1 79 PHE H 1 79 PHE HB3 4.336 . 4.336 3.603 3.530 3.702 . 0 0 "[ . 1 . ]" 1
526 1 79 PHE HB2 1 80 THR H 3.250 . 3.250 2.182 1.899 2.971 0.001 15 0 "[ . 1 . ]" 1
527 1 79 PHE H 1 79 PHE QD 4.003 . 4.003 3.139 2.773 3.414 . 0 0 "[ . 1 . ]" 1
528 1 79 PHE QD 1 81 LYS QB 3.600 . 3.600 3.337 3.095 3.605 0.005 6 0 "[ . 1 . ]" 1
529 1 79 PHE QE 1 86 GLN QB 4.235 . 4.235 2.709 2.126 3.504 . 0 0 "[ . 1 . ]" 1
530 1 79 PHE QE 1 87 ALA HA 5.500 . 5.500 4.207 3.310 5.478 . 0 0 "[ . 1 . ]" 1
531 1 79 PHE QE 1 88 LEU QD 2.918 . 2.918 2.271 1.898 2.679 0.002 14 0 "[ . 1 . ]" 1
532 1 79 PHE H 1 79 PHE QE 4.778 . 4.778 4.443 4.292 4.559 . 0 0 "[ . 1 . ]" 1
533 1 79 PHE QE 1 87 ALA H 5.500 . 5.500 5.190 4.588 5.502 0.002 6 0 "[ . 1 . ]" 1
534 1 79 PHE QE 1 88 LEU H 5.405 . 5.405 3.772 2.798 4.923 . 0 0 "[ . 1 . ]" 1
535 1 79 PHE H 1 86 GLN HB3 5.240 . 5.240 5.020 4.271 5.242 0.002 3 0 "[ . 1 . ]" 1
536 1 79 PHE H 1 86 GLN H 3.596 . 3.596 2.730 2.487 2.899 . 0 0 "[ . 1 . ]" 1
537 1 79 PHE H 1 87 ALA HA 4.966 . 4.966 3.801 3.498 4.167 . 0 0 "[ . 1 . ]" 1
538 1 80 THR HA 1 80 THR MG 2.878 . 2.878 2.013 1.923 2.139 . 0 0 "[ . 1 . ]" 1
539 1 80 THR HA 1 81 LYS H 2.500 . 2.500 2.152 2.146 2.169 . 0 0 "[ . 1 . ]" 1
540 1 80 THR HA 1 85 PHE HA 2.823 . 2.823 2.728 2.147 2.868 0.045 3 0 "[ . 1 . ]" 1
541 1 80 THR HA 1 84 GLN H 5.174 . 5.174 3.015 2.834 3.170 . 0 0 "[ . 1 . ]" 1
542 1 80 THR HA 1 86 GLN H 4.500 . 4.500 3.440 3.084 3.899 . 0 0 "[ . 1 . ]" 1
543 1 80 THR HA 1 86 GLN QG 5.500 . 5.500 3.817 3.202 4.136 . 0 0 "[ . 1 . ]" 1
544 1 80 THR H 1 80 THR HB 3.507 . 3.507 3.292 3.119 3.360 . 0 0 "[ . 1 . ]" 1
545 1 80 THR HB 1 81 LYS H 3.944 . 3.944 3.951 3.910 3.972 0.028 3 0 "[ . 1 . ]" 1
546 1 80 THR HB 1 84 GLN H 5.500 . 5.500 3.261 3.163 3.515 . 0 0 "[ . 1 . ]" 1
547 1 80 THR H 1 80 THR MG 4.779 . 4.779 3.857 3.690 3.916 . 0 0 "[ . 1 . ]" 1
548 1 80 THR MG 1 83 ASN HA 4.016 . 4.016 2.323 2.070 2.718 . 0 0 "[ . 1 . ]" 1
549 1 80 THR MG 1 83 ASN H 4.668 . 4.668 3.079 2.508 3.443 . 0 0 "[ . 1 . ]" 1
550 1 80 THR MG 1 84 GLN HA 5.500 . 5.500 3.224 2.961 3.346 . 0 0 "[ . 1 . ]" 1
551 1 80 THR MG 1 84 GLN H . . 3.737 2.007 1.893 2.200 0.007 3 0 "[ . 1 . ]" 1
552 1 80 THR MG 1 85 PHE QB 5.500 . 5.500 2.966 1.992 3.773 . 0 0 "[ . 1 . ]" 1
553 1 80 THR MG 1 85 PHE H 5.500 . 5.500 2.735 2.211 2.919 . 0 0 "[ . 1 . ]" 1
554 1 80 THR MG 1 86 GLN H 5.500 . 5.500 3.978 3.720 4.212 . 0 0 "[ . 1 . ]" 1
555 1 80 THR MG 1 81 LYS H 3.221 . 3.221 3.231 3.194 3.273 0.052 3 0 "[ . 1 . ]" 1
556 1 80 THR H 1 84 GLN H 5.332 . 5.332 5.362 5.336 5.464 0.132 3 0 "[ . 1 . ]" 1
557 1 81 LYS H 1 81 LYS QB 2.996 . 2.996 2.287 2.230 2.336 . 0 0 "[ . 1 . ]" 1
558 1 81 LYS QB 1 84 GLN H 5.452 . 5.452 3.977 3.675 4.392 . 0 0 "[ . 1 . ]" 1
559 1 81 LYS QB 1 84 GLN QB 4.974 . 4.974 2.460 2.086 3.347 . 0 0 "[ . 1 . ]" 1
560 1 81 LYS QB 1 86 GLN QG 4.182 . 4.182 3.599 2.799 4.181 . 0 0 "[ . 1 . ]" 1
561 1 81 LYS QB 1 86 GLN QE 5.500 . 5.500 3.165 2.343 3.958 . 0 0 "[ . 1 . ]" 1
562 1 81 LYS H 1 81 LYS QG 5.241 . 5.241 4.006 3.885 4.076 . 0 0 "[ . 1 . ]" 1
563 1 81 LYS H 1 84 GLN QB 4.459 . 4.459 2.681 1.939 3.547 . 0 0 "[ . 1 . ]" 1
564 1 81 LYS H 1 84 GLN H 2.985 . 2.985 2.776 2.666 3.011 0.026 8 0 "[ . 1 . ]" 1
565 1 81 LYS H 1 86 GLN QG 4.575 . 4.575 3.366 2.577 3.785 . 0 0 "[ . 1 . ]" 1
566 1 81 LYS H 1 86 GLN QE 5.197 . 5.197 4.282 3.305 5.066 . 0 0 "[ . 1 . ]" 1
567 1 82 ASN HA 1 83 ASN H 3.897 . 3.897 2.835 2.473 3.420 . 0 0 "[ . 1 . ]" 1
568 1 82 ASN HA 1 84 GLN H 5.271 . 5.271 4.766 4.300 5.178 . 0 0 "[ . 1 . ]" 1
569 1 82 ASN HA 1 82 ASN QB 2.500 . 2.500 2.439 2.322 2.501 0.001 4 0 "[ . 1 . ]" 1
570 1 82 ASN QB 1 83 ASN H 5.079 . 5.079 3.771 3.054 3.994 . 0 0 "[ . 1 . ]" 1
571 1 82 ASN QB 1 84 GLN H 4.662 . 4.662 4.604 4.304 4.690 0.028 3 0 "[ . 1 . ]" 1
572 1 83 ASN H 1 83 ASN HA 2.803 . 2.803 2.353 2.268 2.714 . 0 0 "[ . 1 . ]" 1
573 1 83 ASN HA 1 84 GLN H 3.474 . 3.474 2.809 2.735 3.018 . 0 0 "[ . 1 . ]" 1
574 1 83 ASN HA 1 83 ASN QB 2.500 . 2.500 2.416 2.154 2.527 0.027 2 0 "[ . 1 . ]" 1
575 1 83 ASN H 1 83 ASN QB 3.924 . 3.924 3.128 2.948 3.476 . 0 0 "[ . 1 . ]" 1
576 1 83 ASN QB 1 84 GLN H 4.482 . 4.482 3.914 3.846 4.069 . 0 0 "[ . 1 . ]" 1
577 1 83 ASN H 1 84 GLN H 3.852 . 3.852 2.324 1.875 2.796 0.025 9 0 "[ . 1 . ]" 1
578 1 83 ASN QB 1 84 GLN HA 5.500 . 5.500 4.519 4.328 4.953 . 0 0 "[ . 1 . ]" 1
579 1 83 ASN QB 1 83 ASN QD 3.022 . 3.022 2.242 2.074 2.588 . 0 0 "[ . 1 . ]" 1
580 1 84 GLN HA 1 85 PHE H 2.687 . 2.687 2.209 2.138 2.477 . 0 0 "[ . 1 . ]" 1
581 1 84 GLN HA 1 84 GLN QB 2.587 . 2.587 2.405 2.207 2.519 . 0 0 "[ . 1 . ]" 1
582 1 84 GLN H 1 84 GLN QB 2.716 . 2.716 2.573 2.361 2.694 . 0 0 "[ . 1 . ]" 1
583 1 84 GLN HA 1 84 GLN QG 3.053 . 3.053 2.358 2.137 2.804 . 0 0 "[ . 1 . ]" 1
584 1 84 GLN H 1 84 GLN QG 3.696 . 3.696 3.476 3.211 3.740 0.044 14 0 "[ . 1 . ]" 1
585 1 84 GLN QG 1 85 PHE H 4.972 . 4.972 4.053 3.201 4.451 . 0 0 "[ . 1 . ]" 1
586 1 84 GLN H 1 85 PHE H 5.500 . 5.500 3.840 3.318 4.048 . 0 0 "[ . 1 . ]" 1
587 1 84 GLN QB 1 84 GLN QE 4.782 . 4.782 2.888 2.007 3.575 . 0 0 "[ . 1 . ]" 1
588 1 84 GLN QE 1 84 GLN QG 3.540 . 3.540 2.247 2.070 2.614 . 0 0 "[ . 1 . ]" 1
589 1 84 GLN QB 1 85 PHE H 4.510 . 4.510 3.732 3.430 3.942 . 0 0 "[ . 1 . ]" 1
590 1 84 GLN QB 1 86 GLN QE 5.500 . 5.500 3.423 2.123 5.044 . 0 0 "[ . 1 . ]" 1
591 1 85 PHE HA 1 86 GLN H 2.500 . 2.500 2.158 2.136 2.249 . 0 0 "[ . 1 . ]" 1
592 1 85 PHE H 1 85 PHE QB 2.957 . 2.957 2.320 2.124 2.836 . 0 0 "[ . 1 . ]" 1
593 1 85 PHE QB 1 86 GLN H 4.434 . 4.434 3.607 2.779 3.905 . 0 0 "[ . 1 . ]" 1
594 1 85 PHE H 1 85 PHE QD 5.124 . 5.124 3.708 2.290 4.186 . 0 0 "[ . 1 . ]" 1
595 1 86 GLN HA 1 87 ALA H 2.500 . 2.500 2.251 2.141 2.507 0.007 14 0 "[ . 1 . ]" 1
596 1 86 GLN HA 1 86 GLN HB3 3.083 . 3.083 2.434 2.302 2.547 . 0 0 "[ . 1 . ]" 1
597 1 86 GLN H 1 86 GLN HB2 3.518 . 3.518 2.837 2.531 3.160 . 0 0 "[ . 1 . ]" 1
598 1 86 GLN HB3 1 87 ALA H 4.379 . 4.379 3.036 2.206 3.561 . 0 0 "[ . 1 . ]" 1
599 1 86 GLN HA 1 86 GLN QG 3.858 . 3.858 2.461 2.242 2.703 . 0 0 "[ . 1 . ]" 1
600 1 86 GLN H 1 86 GLN QG 3.994 . 3.994 2.987 2.597 3.422 . 0 0 "[ . 1 . ]" 1
601 1 86 GLN QG 1 87 ALA H 4.438 . 4.438 4.204 3.816 4.389 . 0 0 "[ . 1 . ]" 1
602 1 86 GLN QE 1 86 GLN QG 3.450 . 3.450 2.224 2.067 2.546 . 0 0 "[ . 1 . ]" 1
603 1 87 ALA HA 1 88 LEU H 2.577 . 2.577 2.170 2.137 2.328 . 0 0 "[ . 1 . ]" 1
604 1 87 ALA H 1 87 ALA MB 3.059 . 3.059 2.542 2.413 2.711 . 0 0 "[ . 1 . ]" 1
605 1 88 LEU HA 1 88 LEU HG 4.014 . 4.014 3.136 2.331 3.729 . 0 0 "[ . 1 . ]" 1
606 1 88 LEU HA 1 88 LEU QD 2.529 . 2.529 2.363 2.065 2.537 0.008 15 0 "[ . 1 . ]" 1
607 1 88 LEU HA 1 89 LEU H 2.500 . 2.500 2.344 2.147 2.419 . 0 0 "[ . 1 . ]" 1
608 1 88 LEU HA 1 126 LEU QD 5.500 . 5.500 3.591 3.238 4.179 . 0 0 "[ . 1 . ]" 1
609 1 88 LEU QB 1 126 LEU QD 4.435 . 4.435 2.000 1.884 2.698 0.016 5 0 "[ . 1 . ]" 1
610 1 88 LEU HA 1 88 LEU QB 3.562 . 3.562 2.304 2.149 2.514 . 0 0 "[ . 1 . ]" 1
611 1 88 LEU H 1 88 LEU QB 4.269 . 4.269 2.640 2.142 3.003 . 0 0 "[ . 1 . ]" 1
612 1 88 LEU H 1 89 LEU QD 5.500 . 5.500 5.365 4.889 5.513 0.013 8 0 "[ . 1 . ]" 1
613 1 88 LEU H 1 89 LEU H 5.198 . 5.198 4.505 4.225 4.601 . 0 0 "[ . 1 . ]" 1
614 1 88 LEU H 1 126 LEU QD 5.500 . 5.500 4.194 3.892 4.654 . 0 0 "[ . 1 . ]" 1
615 1 88 LEU QD 1 121 SER QB 3.859 . 3.859 3.305 1.999 3.861 0.002 14 0 "[ . 1 . ]" 1
616 1 88 LEU QD 1 126 LEU QD 5.500 . 5.500 2.612 1.901 2.984 . 0 0 "[ . 1 . ]" 1
617 1 89 LEU HA 1 89 LEU QD 3.448 . 3.448 3.035 1.896 3.456 0.007 2 0 "[ . 1 . ]" 1
618 1 89 LEU HA 1 89 LEU QB 3.405 . 3.405 2.233 2.158 2.521 . 0 0 "[ . 1 . ]" 1
619 1 89 LEU HA 1 90 GLN H 2.566 . 2.566 2.286 2.143 2.440 . 0 0 "[ . 1 . ]" 1
620 1 89 LEU HA 1 126 LEU QD 3.794 . 3.794 2.301 1.894 2.848 0.006 15 0 "[ . 1 . ]" 1
621 1 89 LEU QB 1 89 LEU QD 2.500 . 2.500 1.895 1.857 2.004 0.043 2 0 "[ . 1 . ]" 1
622 1 89 LEU H 1 89 LEU QD 4.782 . 4.782 3.369 2.128 4.052 . 0 0 "[ . 1 . ]" 1
623 1 89 LEU QD 1 90 GLN HA 5.500 . 5.500 3.270 2.820 4.249 . 0 0 "[ . 1 . ]" 1
624 1 89 LEU QD 1 90 GLN H 4.354 . 4.354 2.659 1.874 3.811 0.026 10 0 "[ . 1 . ]" 1
625 1 89 LEU QD 1 91 TYR QB 5.500 . 5.500 3.610 3.108 4.268 . 0 0 "[ . 1 . ]" 1
626 1 89 LEU QD 1 91 TYR QD 4.786 . 4.786 3.245 2.890 3.582 . 0 0 "[ . 1 . ]" 1
627 1 89 LEU QD 1 91 TYR QE 3.363 . 3.363 3.293 3.076 3.384 0.022 15 0 "[ . 1 . ]" 1
628 1 89 LEU QD 1 91 TYR HH 4.379 . 4.379 4.091 3.853 4.281 . 0 0 "[ . 1 . ]" 1
629 1 89 LEU QD 1 138 TYR QE 5.500 . 5.500 4.862 4.365 5.151 . 0 0 "[ . 1 . ]" 1
630 1 89 LEU H 1 89 LEU QB 3.671 . 3.671 2.976 2.649 3.227 . 0 0 "[ . 1 . ]" 1
631 1 89 LEU H 1 90 GLN H 5.304 . 5.304 4.327 4.102 4.511 . 0 0 "[ . 1 . ]" 1
632 1 90 GLN HA 1 90 GLN QB 3.494 . 3.494 2.305 2.257 2.371 . 0 0 "[ . 1 . ]" 1
633 1 90 GLN HA 1 90 GLN QG 3.728 . 3.728 2.544 2.345 2.675 . 0 0 "[ . 1 . ]" 1
634 1 90 GLN QB 1 126 LEU QD 5.500 . 5.500 2.114 1.885 2.689 0.015 16 0 "[ . 1 . ]" 1
635 1 90 GLN QE 1 125 SER HA 4.250 . 4.250 3.058 2.438 3.519 . 0 0 "[ . 1 . ]" 1
636 1 90 GLN QE 1 125 SER QB 4.303 . 4.303 3.255 2.061 4.307 0.004 4 0 "[ . 1 . ]" 1
637 1 90 GLN QE 1 90 GLN QG 3.748 . 3.748 2.157 2.068 2.333 . 0 0 "[ . 1 . ]" 1
638 1 91 TYR HA 1 92 ALA MB 4.129 . 4.129 3.999 3.937 4.078 . 0 0 "[ . 1 . ]" 1
639 1 91 TYR HA 1 92 ALA H 2.500 . 2.500 2.473 2.365 2.508 0.008 9 0 "[ . 1 . ]" 1
640 1 91 TYR HA 1 93 ASP H 5.500 . 5.500 4.182 3.932 4.564 . 0 0 "[ . 1 . ]" 1
641 1 91 TYR HA 1 91 TYR QE 5.500 . 5.500 4.069 4.053 4.080 . 0 0 "[ . 1 . ]" 1
642 1 91 TYR HA 1 91 TYR QB 2.846 . 2.846 2.521 2.513 2.534 . 0 0 "[ . 1 . ]" 1
643 1 91 TYR H 1 91 TYR QB 2.995 . 2.995 2.157 2.076 2.312 . 0 0 "[ . 1 . ]" 1
644 1 91 TYR QB 1 92 ALA H 2.829 . 2.829 2.402 2.317 2.610 . 0 0 "[ . 1 . ]" 1
645 1 91 TYR QB 1 92 ALA MB 5.500 . 5.500 4.017 3.959 4.148 . 0 0 "[ . 1 . ]" 1
646 1 91 TYR QB 1 93 ASP H 4.043 . 4.043 2.241 2.027 2.755 . 0 0 "[ . 1 . ]" 1
647 1 91 TYR QB 1 97 ALA MB 3.343 . 3.343 2.412 2.267 2.543 . 0 0 "[ . 1 . ]" 1
648 1 91 TYR H 1 91 TYR QD 4.299 . 4.299 3.802 3.608 3.986 . 0 0 "[ . 1 . ]" 1
649 1 91 TYR QD 1 92 ALA H 3.826 . 3.826 2.563 2.367 2.656 . 0 0 "[ . 1 . ]" 1
650 1 91 TYR HA 1 91 TYR QD 3.386 . 3.386 1.890 1.878 1.923 0.022 15 0 "[ . 1 . ]" 1
651 1 91 TYR QD 1 97 ALA HA 3.434 . 3.434 1.893 1.876 1.902 0.024 14 0 "[ . 1 . ]" 1
652 1 91 TYR QD 1 97 ALA MB 2.618 . 2.618 1.966 1.888 2.090 0.012 4 0 "[ . 1 . ]" 1
653 1 91 TYR QD 1 97 ALA H 4.891 . 4.891 3.371 2.970 3.799 . 0 0 "[ . 1 . ]" 1
654 1 91 TYR QE 1 92 ALA H 5.402 . 5.402 4.735 4.509 4.844 . 0 0 "[ . 1 . ]" 1
655 1 91 TYR QE 1 100 ALA MB 2.500 . 2.500 1.935 1.891 2.107 0.009 2 0 "[ . 1 . ]" 1
656 1 91 TYR QE 1 100 ALA H 5.116 . 5.116 4.201 4.063 4.357 . 0 0 "[ . 1 . ]" 1
657 1 91 TYR QE 1 97 ALA HA 3.026 . 3.026 2.387 2.334 2.460 . 0 0 "[ . 1 . ]" 1
658 1 91 TYR QE 1 97 ALA MB 3.689 . 3.689 3.696 3.692 3.711 0.022 8 0 "[ . 1 . ]" 1
659 1 91 TYR H 1 92 ALA H 5.174 . 5.174 4.565 4.519 4.618 . 0 0 "[ . 1 . ]" 1
660 1 91 TYR H 1 97 ALA MB 5.500 . 5.500 3.966 3.834 4.124 . 0 0 "[ . 1 . ]" 1
661 1 91 TYR HH 1 100 ALA MB 4.291 . 4.291 3.550 3.438 3.768 . 0 0 "[ . 1 . ]" 1
662 1 92 ALA HA 1 93 ASP H 4.285 . 4.285 3.429 3.352 3.546 . 0 0 "[ . 1 . ]" 1
663 1 92 ALA H 1 92 ALA MB 2.500 . 2.500 2.202 2.115 2.282 . 0 0 "[ . 1 . ]" 1
664 1 92 ALA MB 1 93 ASP QB 3.671 . 3.671 3.376 3.210 3.533 . 0 0 "[ . 1 . ]" 1
665 1 92 ALA MB 1 93 ASP H 3.224 . 3.224 2.979 2.583 3.178 . 0 0 "[ . 1 . ]" 1
666 1 92 ALA H 1 93 ASP H 2.943 . 2.943 2.310 2.151 2.505 . 0 0 "[ . 1 . ]" 1
667 1 93 ASP HA 1 93 ASP QB . . 2.553 2.400 2.176 2.538 . 0 0 "[ . 1 . ]" 1
668 1 93 ASP HA 1 94 PRO QD 2.500 . 2.500 1.933 1.873 2.005 0.027 4 0 "[ . 1 . ]" 1
669 1 93 ASP HA 1 94 PRO QG 3.884 . 3.884 3.834 3.776 3.898 0.014 14 0 "[ . 1 . ]" 1
670 1 93 ASP HA 1 95 VAL H 4.958 . 4.958 3.958 3.856 4.131 . 0 0 "[ . 1 . ]" 1
671 1 93 ASP HA 1 95 VAL QG 5.500 . 5.500 4.813 4.419 5.088 . 0 0 "[ . 1 . ]" 1
672 1 93 ASP H 1 93 ASP QB 3.053 . 3.053 2.818 2.477 3.065 0.012 14 0 "[ . 1 . ]" 1
673 1 93 ASP QB 1 94 PRO QD 3.248 . 3.248 2.748 2.293 3.251 0.004 15 0 "[ . 1 . ]" 1
674 1 93 ASP QB 1 95 VAL QG 5.500 . 5.500 3.115 2.312 3.468 . 0 0 "[ . 1 . ]" 1
675 1 93 ASP QB 1 96 SER H 5.131 . 5.131 3.125 2.624 3.862 . 0 0 "[ . 1 . ]" 1
676 1 94 PRO HA 1 95 VAL H 5.500 . 5.500 3.507 3.449 3.547 . 0 0 "[ . 1 . ]" 1
677 1 94 PRO HA 1 97 ALA MB 3.390 . 3.390 2.418 2.284 2.555 . 0 0 "[ . 1 . ]" 1
678 1 94 PRO HA 1 97 ALA H 3.866 . 3.866 3.243 3.129 3.332 . 0 0 "[ . 1 . ]" 1
679 1 94 PRO QB 1 94 PRO QD 2.593 . 2.593 2.683 2.677 2.691 0.098 15 0 "[ . 1 . ]" 1
680 1 94 PRO QB 1 95 VAL H 4.662 . 4.662 2.994 2.582 3.433 . 0 0 "[ . 1 . ]" 1
681 1 94 PRO QB 1 97 ALA MB 3.801 . 3.801 3.805 3.802 3.812 0.011 14 0 "[ . 1 . ]" 1
682 1 94 PRO QD 1 95 VAL H 4.190 . 4.190 2.791 2.655 2.899 . 0 0 "[ . 1 . ]" 1
683 1 94 PRO QD 1 95 VAL QG 5.500 . 5.500 3.521 3.316 3.799 . 0 0 "[ . 1 . ]" 1
684 1 94 PRO QD 1 94 PRO QG 2.780 . 2.780 1.975 1.972 1.978 . 0 0 "[ . 1 . ]" 1
685 1 94 PRO QG 1 95 VAL H 4.147 . 4.147 3.291 2.220 4.007 . 0 0 "[ . 1 . ]" 1
686 1 94 PRO QG 1 97 ALA MB 5.500 . 5.500 4.766 4.485 5.117 . 0 0 "[ . 1 . ]" 1
687 1 95 VAL HA 1 95 VAL QG 2.500 . 2.500 2.080 2.038 2.147 . 0 0 "[ . 1 . ]" 1
688 1 95 VAL H 1 95 VAL HA 2.931 . 2.931 2.806 2.785 2.840 . 0 0 "[ . 1 . ]" 1
689 1 95 VAL HA 1 97 ALA MB 5.500 . 5.500 5.076 5.012 5.256 . 0 0 "[ . 1 . ]" 1
690 1 95 VAL HA 1 97 ALA H 4.654 . 4.654 4.221 3.998 4.615 . 0 0 "[ . 1 . ]" 1
691 1 95 VAL HA 1 98 GLN QB 3.068 . 3.068 2.949 2.821 3.065 . 0 0 "[ . 1 . ]" 1
692 1 95 VAL HA 1 98 GLN QG 4.281 . 4.281 3.321 3.060 3.484 . 0 0 "[ . 1 . ]" 1
693 1 95 VAL HA 1 99 HIS H 4.532 . 4.532 4.276 4.013 4.528 . 0 0 "[ . 1 . ]" 1
694 1 95 VAL H 1 95 VAL QG 2.500 . 2.500 2.212 1.985 2.395 . 0 0 "[ . 1 . ]" 1
695 1 95 VAL QG 1 96 SER QB 5.500 . 5.500 4.136 2.947 4.382 . 0 0 "[ . 1 . ]" 1
696 1 95 VAL QG 1 96 SER H 3.824 . 3.824 3.154 2.021 3.314 . 0 0 "[ . 1 . ]" 1
697 1 95 VAL QG 1 98 GLN QG 4.147 . 4.147 4.080 3.916 4.154 0.006 4 0 "[ . 1 . ]" 1
698 1 95 VAL QG 1 99 HIS H 5.032 . 5.032 4.161 3.986 4.273 . 0 0 "[ . 1 . ]" 1
699 1 95 VAL H 1 95 VAL HB 2.612 . 2.612 2.514 2.352 2.616 0.004 6 0 "[ . 1 . ]" 1
700 1 95 VAL HB 1 96 SER H 3.757 . 3.757 2.719 2.504 3.761 0.004 14 0 "[ . 1 . ]" 1
701 1 95 VAL H 1 97 ALA H 4.309 . 4.309 3.924 3.781 4.157 . 0 0 "[ . 1 . ]" 1
702 1 96 SER HA 1 97 ALA H 5.500 . 5.500 3.464 3.414 3.535 . 0 0 "[ . 1 . ]" 1
703 1 96 SER HA 1 97 ALA MB 5.500 . 5.500 4.975 4.937 5.026 . 0 0 "[ . 1 . ]" 1
704 1 96 SER HA 1 99 HIS H 5.500 . 5.500 3.903 3.627 4.024 . 0 0 "[ . 1 . ]" 1
705 1 96 SER HA 1 99 HIS QB 4.356 . 4.356 3.327 3.089 3.554 . 0 0 "[ . 1 . ]" 1
706 1 96 SER HA 1 96 SER QB 3.105 . 3.105 2.275 2.159 2.539 . 0 0 "[ . 1 . ]" 1
707 1 96 SER QB 1 97 ALA H 3.347 . 3.347 3.139 2.782 3.348 0.001 6 0 "[ . 1 . ]" 1
708 1 97 ALA HA 1 100 ALA MB 3.681 . 3.681 2.464 2.283 2.714 . 0 0 "[ . 1 . ]" 1
709 1 97 ALA HA 1 100 ALA H 3.922 . 3.922 3.761 3.602 3.858 . 0 0 "[ . 1 . ]" 1
710 1 97 ALA H 1 97 ALA HA 3.146 . 3.146 2.869 2.804 2.901 . 0 0 "[ . 1 . ]" 1
711 1 97 ALA HA 1 98 GLN H 5.500 . 5.500 3.523 3.499 3.546 . 0 0 "[ . 1 . ]" 1
712 1 97 ALA H 1 97 ALA MB 2.500 . 2.500 2.187 2.048 2.268 . 0 0 "[ . 1 . ]" 1
713 1 97 ALA MB 1 98 GLN QB 4.585 . 4.585 4.316 4.237 4.403 . 0 0 "[ . 1 . ]" 1
714 1 97 ALA MB 1 98 GLN QG 5.500 . 5.500 3.470 3.234 3.640 . 0 0 "[ . 1 . ]" 1
715 1 97 ALA MB 1 101 LYS H 5.500 . 5.500 4.538 4.194 4.873 . 0 0 "[ . 1 . ]" 1
716 1 97 ALA MB 1 120 PHE QD 4.147 . 4.147 4.144 4.102 4.158 0.011 4 0 "[ . 1 . ]" 1
717 1 97 ALA MB 1 120 PHE QE 3.687 . 3.687 2.589 2.428 2.901 . 0 0 "[ . 1 . ]" 1
718 1 97 ALA H 1 98 GLN QG 5.271 . 5.271 4.410 4.133 4.632 . 0 0 "[ . 1 . ]" 1
719 1 97 ALA H 1 99 HIS H 5.015 . 5.015 4.374 4.265 4.594 . 0 0 "[ . 1 . ]" 1
720 1 98 GLN HA 1 100 ALA H 5.500 . 5.500 4.786 4.668 4.926 . 0 0 "[ . 1 . ]" 1
721 1 98 GLN HA 1 101 LYS HB3 4.379 . 4.379 3.321 3.036 3.713 . 0 0 "[ . 1 . ]" 1
722 1 98 GLN HA 1 101 LYS H 4.875 . 4.875 3.907 3.723 4.062 . 0 0 "[ . 1 . ]" 1
723 1 98 GLN HA 1 99 HIS H 4.295 . 4.295 3.568 3.564 3.571 . 0 0 "[ . 1 . ]" 1
724 1 98 GLN HA 1 120 PHE QE 3.788 . 3.788 3.296 2.648 3.500 . 0 0 "[ . 1 . ]" 1
725 1 98 GLN QB 1 100 ALA H 4.619 . 4.619 4.580 4.521 4.624 0.004 9 0 "[ . 1 . ]" 1
726 1 98 GLN HA 1 98 GLN QB 2.562 . 2.562 2.438 2.388 2.467 . 0 0 "[ . 1 . ]" 1
727 1 98 GLN QB 1 99 HIS HA 5.500 . 5.500 3.801 3.760 3.830 . 0 0 "[ . 1 . ]" 1
728 1 98 GLN QB 1 99 HIS H 2.647 . 2.647 2.320 2.233 2.395 . 0 0 "[ . 1 . ]" 1
729 1 98 GLN QB 1 99 HIS QB 5.500 . 5.500 4.197 4.080 4.291 . 0 0 "[ . 1 . ]" 1
730 1 98 GLN QB 1 120 PHE QE 5.500 . 5.500 4.612 4.432 4.761 . 0 0 "[ . 1 . ]" 1
731 1 98 GLN QB 1 120 PHE HZ 4.489 . 4.489 4.162 3.997 4.343 . 0 0 "[ . 1 . ]" 1
732 1 98 GLN QB 1 99 HIS HD2 5.500 . 5.500 2.332 2.062 2.775 . 0 0 "[ . 1 . ]" 1
733 1 98 GLN HA 1 98 GLN QG 3.884 . 3.884 2.502 2.186 2.875 . 0 0 "[ . 1 . ]" 1
734 1 98 GLN QG 1 99 HIS H 4.134 . 4.134 4.073 3.929 4.135 0.001 2 0 "[ . 1 . ]" 1
735 1 98 GLN QG 1 120 PHE QE 5.500 . 5.500 3.448 2.964 3.969 . 0 0 "[ . 1 . ]" 1
736 1 98 GLN QG 1 120 PHE HZ 4.702 . 4.702 2.322 1.899 2.945 0.001 16 0 "[ . 1 . ]" 1
737 1 98 GLN H 1 100 ALA H 5.018 . 5.018 4.140 4.034 4.314 . 0 0 "[ . 1 . ]" 1
738 1 98 GLN H 1 98 GLN QB 2.500 . 2.500 2.296 2.227 2.408 . 0 0 "[ . 1 . ]" 1
739 1 98 GLN H 1 98 GLN QG 3.405 . 3.405 2.561 2.331 2.745 . 0 0 "[ . 1 . ]" 1
740 1 98 GLN QE 1 101 LYS HB3 5.500 . 5.500 4.812 4.117 5.498 . 0 0 "[ . 1 . ]" 1
741 1 98 GLN QE 1 98 GLN QG 3.527 . 3.527 2.447 2.069 2.704 . 0 0 "[ . 1 . ]" 1
742 1 99 HIS HA 1 100 ALA H 3.784 . 3.784 3.554 3.545 3.565 . 0 0 "[ . 1 . ]" 1
743 1 99 HIS HA 1 102 LEU HB2 4.541 . 4.541 3.345 2.683 4.040 . 0 0 "[ . 1 . ]" 1
744 1 99 HIS HA 1 102 LEU H 5.500 . 5.500 3.613 3.248 3.854 . 0 0 "[ . 1 . ]" 1
745 1 99 HIS HA 1 103 SER H 5.500 . 5.500 4.155 3.993 4.402 . 0 0 "[ . 1 . ]" 1
746 1 99 HIS H 1 99 HIS HA 3.107 . 3.107 2.816 2.794 2.831 . 0 0 "[ . 1 . ]" 1
747 1 99 HIS QB 1 100 ALA H 2.704 . 2.704 2.431 2.331 2.533 . 0 0 "[ . 1 . ]" 1
748 1 99 HIS HA 1 99 HIS QB 2.598 . 2.598 2.383 2.350 2.434 . 0 0 "[ . 1 . ]" 1
749 1 99 HIS H 1 99 HIS QB 2.500 . 2.500 2.427 2.301 2.505 0.005 14 0 "[ . 1 . ]" 1
750 1 99 HIS HD2 1 100 ALA H 4.771 . 4.771 4.667 4.448 4.771 . 0 0 "[ . 1 . ]" 1
751 1 99 HIS QB 1 99 HIS HD2 3.553 . 3.553 3.154 2.850 3.295 . 0 0 "[ . 1 . ]" 1
752 1 99 HIS H 1 99 HIS HD2 4.379 . 4.379 2.177 1.918 2.470 . 0 0 "[ . 1 . ]" 1
753 1 99 HIS H 1 100 ALA MB 4.731 . 4.731 4.322 4.194 4.430 . 0 0 "[ . 1 . ]" 1
754 1 99 HIS H 1 100 ALA H 3.114 . 3.114 2.719 2.649 2.825 . 0 0 "[ . 1 . ]" 1
755 1 99 HIS HA 1 102 LEU HG 5.500 . 5.500 4.283 3.484 5.014 . 0 0 "[ . 1 . ]" 1
756 1 100 ALA HA 1 103 SER QB 3.591 . 3.591 2.245 1.910 2.728 . 0 0 "[ . 1 . ]" 1
757 1 100 ALA HA 1 103 SER H 4.354 . 4.354 3.341 3.027 3.680 . 0 0 "[ . 1 . ]" 1
758 1 100 ALA HA 1 104 LEU QD 5.500 . 5.500 3.274 2.511 3.868 . 0 0 "[ . 1 . ]" 1
759 1 100 ALA H 1 100 ALA MB 2.500 . 2.500 2.211 2.120 2.243 . 0 0 "[ . 1 . ]" 1
760 1 100 ALA MB 1 101 LYS H 2.770 . 2.770 2.502 2.170 2.729 . 0 0 "[ . 1 . ]" 1
761 1 100 ALA MB 1 101 LYS HA 5.500 . 5.500 3.784 3.688 3.874 . 0 0 "[ . 1 . ]" 1
762 1 100 ALA MB 1 103 SER H 5.500 . 5.500 4.413 4.152 4.671 . 0 0 "[ . 1 . ]" 1
763 1 100 ALA MB 1 104 LEU QD 3.236 . 3.236 2.710 1.997 3.214 . 0 0 "[ . 1 . ]" 1
764 1 100 ALA H 1 101 LYS H 2.904 . 2.904 2.847 2.731 2.908 0.004 6 0 "[ . 1 . ]" 1
765 1 100 ALA H 1 103 SER H 4.791 . 4.791 4.591 4.464 4.752 . 0 0 "[ . 1 . ]" 1
766 1 101 LYS HA 1 102 LEU H 4.920 . 4.920 3.559 3.532 3.571 . 0 0 "[ . 1 . ]" 1
767 1 101 LYS HA 1 105 ASP H 5.095 . 5.095 4.325 2.830 4.837 . 0 0 "[ . 1 . ]" 1
768 1 101 LYS HA 1 118 ILE MG 2.753 . 2.753 2.394 1.898 2.758 0.005 5 0 "[ . 1 . ]" 1
769 1 101 LYS H 1 101 LYS HB3 3.494 . 3.494 2.516 2.277 2.929 . 0 0 "[ . 1 . ]" 1
770 1 101 LYS HA 1 101 LYS HB2 2.969 . 2.969 2.433 2.340 2.632 . 0 0 "[ . 1 . ]" 1
771 1 101 LYS HB3 1 102 LEU H 4.235 . 4.235 2.395 2.094 2.675 . 0 0 "[ . 1 . ]" 1
772 1 101 LYS QD 1 102 LEU H 3.751 . 3.751 3.408 2.806 3.663 . 0 0 "[ . 1 . ]" 1
773 1 101 LYS HA 1 101 LYS QG 4.281 . 4.281 2.514 2.149 2.650 . 0 0 "[ . 1 . ]" 1
774 1 101 LYS H 1 102 LEU H 3.342 . 3.342 2.884 2.660 3.044 . 0 0 "[ . 1 . ]" 1
775 1 102 LEU HA 1 102 LEU HG 4.027 . 4.027 2.860 2.538 3.078 . 0 0 "[ . 1 . ]" 1
776 1 102 LEU HA 1 103 SER H 3.660 . 3.660 3.460 3.450 3.475 . 0 0 "[ . 1 . ]" 1
777 1 102 LEU HA 1 102 LEU HB3 2.654 . 2.654 2.405 2.326 2.547 . 0 0 "[ . 1 . ]" 1
778 1 102 LEU HB2 1 103 SER H 2.976 . 2.976 2.972 2.911 2.989 0.014 12 0 "[ . 1 . ]" 1
779 1 102 LEU H 1 102 LEU HG 3.002 . 3.002 2.182 1.926 2.757 . 0 0 "[ . 1 . ]" 1
780 1 102 LEU HG 1 103 SER H 5.500 . 5.500 4.314 4.116 4.684 . 0 0 "[ . 1 . ]" 1
781 1 102 LEU H 1 103 SER HA 5.500 . 5.500 5.115 4.964 5.268 . 0 0 "[ . 1 . ]" 1
782 1 102 LEU H 1 102 LEU HB2 2.780 . 2.780 2.615 2.336 2.777 . 0 0 "[ . 1 . ]" 1
783 1 102 LEU H 1 103 SER H 2.910 . 2.910 2.498 2.354 2.657 . 0 0 "[ . 1 . ]" 1
784 1 103 SER HA 1 103 SER QB 2.500 . 2.500 2.397 2.334 2.520 0.020 14 0 "[ . 1 . ]" 1
785 1 103 SER H 1 103 SER HA 2.911 . 2.911 2.861 2.827 2.901 . 0 0 "[ . 1 . ]" 1
786 1 103 SER HA 1 104 LEU H 4.902 . 4.902 3.419 3.343 3.566 . 0 0 "[ . 1 . ]" 1
787 1 103 SER H 1 103 SER QB 2.500 . 2.500 2.384 2.099 2.504 0.004 5 0 "[ . 1 . ]" 1
788 1 103 SER QB 1 104 LEU HG 3.343 . 3.343 2.908 2.594 3.328 . 0 0 "[ . 1 . ]" 1
789 1 103 SER QB 1 104 LEU QD 2.983 . 2.983 2.952 2.697 2.995 0.013 8 0 "[ . 1 . ]" 1
790 1 103 SER QB 1 104 LEU H 3.361 . 3.361 3.030 2.416 3.247 . 0 0 "[ . 1 . ]" 1
791 1 103 SER H 1 104 LEU H 2.553 . 2.553 2.492 2.326 2.570 0.017 12 0 "[ . 1 . ]" 1
792 1 104 LEU HA 1 104 LEU QD 2.500 . 2.500 2.420 1.943 2.518 0.018 5 0 "[ . 1 . ]" 1
793 1 104 LEU HA 1 105 ASP H 5.500 . 5.500 3.218 3.044 3.569 . 0 0 "[ . 1 . ]" 1
794 1 104 LEU HA 1 107 GLN QG 3.306 . 3.306 2.371 2.004 2.694 . 0 0 "[ . 1 . ]" 1
795 1 104 LEU HA 1 107 GLN QE 5.500 . 5.500 4.215 3.060 5.184 . 0 0 "[ . 1 . ]" 1
796 1 104 LEU HA 1 104 LEU QB 2.749 . 2.749 2.359 2.223 2.448 . 0 0 "[ . 1 . ]" 1
797 1 104 LEU QB 1 104 LEU QD 3.202 . 3.202 1.887 1.869 1.932 0.031 15 0 "[ . 1 . ]" 1
798 1 104 LEU H 1 104 LEU QD 3.479 . 3.479 3.386 3.007 3.483 0.004 4 0 "[ . 1 . ]" 1
799 1 104 LEU QD 1 107 GLN QB 4.922 . 4.922 3.142 2.489 3.999 . 0 0 "[ . 1 . ]" 1
800 1 104 LEU QD 1 107 GLN QG 3.644 . 3.644 3.176 2.177 3.639 . 0 0 "[ . 1 . ]" 1
801 1 104 LEU QD 1 107 GLN H 5.233 . 5.233 4.756 4.279 5.105 . 0 0 "[ . 1 . ]" 1
802 1 104 LEU QD 1 105 ASP H 5.500 . 5.500 4.318 3.291 4.577 . 0 0 "[ . 1 . ]" 1
803 1 104 LEU QD 1 116 LEU QD 2.709 . 2.709 2.592 2.240 2.719 0.010 8 0 "[ . 1 . ]" 1
804 1 104 LEU QD 1 118 ILE MD 3.981 . 3.981 2.569 1.913 2.938 . 0 0 "[ . 1 . ]" 1
805 1 104 LEU H 1 104 LEU QB 3.212 . 3.212 2.642 2.388 2.836 . 0 0 "[ . 1 . ]" 1
806 1 104 LEU H 1 104 LEU HG 4.925 . 4.925 3.054 2.213 3.510 . 0 0 "[ . 1 . ]" 1
807 1 104 LEU H 1 105 ASP QB 5.500 . 5.500 3.801 3.388 4.318 . 0 0 "[ . 1 . ]" 1
808 1 104 LEU H 1 105 ASP H 2.952 . 2.952 2.131 1.894 2.723 0.006 5 0 "[ . 1 . ]" 1
809 1 104 LEU QD 1 107 GLN QE 5.500 . 5.500 3.862 2.052 5.437 . 0 0 "[ . 1 . ]" 1
810 1 105 ASP HA 1 106 GLY H 2.500 . 2.500 2.205 2.146 2.349 . 0 0 "[ . 1 . ]" 1
811 1 105 ASP HA 1 107 GLN H 4.784 . 4.784 3.875 3.571 4.237 . 0 0 "[ . 1 . ]" 1
812 1 105 ASP HA 1 118 ILE H 4.335 . 4.335 2.946 2.458 3.449 . 0 0 "[ . 1 . ]" 1
813 1 105 ASP HA 1 118 ILE HB 4.535 . 4.535 3.358 2.732 3.741 . 0 0 "[ . 1 . ]" 1
814 1 105 ASP HA 1 118 ILE QG 4.509 . 4.509 4.168 3.816 4.512 0.003 5 0 "[ . 1 . ]" 1
815 1 105 ASP HA 1 118 ILE MG 5.500 . 5.500 4.822 4.238 5.098 . 0 0 "[ . 1 . ]" 1
816 1 105 ASP HA 1 105 ASP QB 2.690 . 2.690 2.268 2.176 2.536 . 0 0 "[ . 1 . ]" 1
817 1 105 ASP H 1 105 ASP QB 3.341 . 3.341 2.444 2.175 2.782 . 0 0 "[ . 1 . ]" 1
818 1 105 ASP QB 1 106 GLY H 5.455 . 5.455 3.677 3.143 4.057 . 0 0 "[ . 1 . ]" 1
819 1 105 ASP QB 1 118 ILE H 4.303 . 4.303 4.169 3.125 4.309 0.006 12 0 "[ . 1 . ]" 1
820 1 105 ASP QB 1 118 ILE HB 5.500 . 5.500 3.787 2.243 4.215 . 0 0 "[ . 1 . ]" 1
821 1 105 ASP QB 1 118 ILE MD 3.788 . 3.788 3.673 2.883 3.800 0.013 5 0 "[ . 1 . ]" 1
822 1 105 ASP H 1 118 ILE MD 4.114 . 4.114 3.203 2.158 3.673 . 0 0 "[ . 1 . ]" 1
823 1 106 GLY H 1 106 GLY QA 2.500 . 2.500 2.250 2.189 2.343 . 0 0 "[ . 1 . ]" 1
824 1 106 GLY QA 1 107 GLN H 3.819 . 3.819 2.811 2.684 2.920 . 0 0 "[ . 1 . ]" 1
825 1 106 GLY QA 1 115 THR MG 4.855 . 4.855 2.968 2.372 3.882 . 0 0 "[ . 1 . ]" 1
826 1 106 GLY H 1 107 GLN H 3.074 . 3.074 2.452 1.965 2.878 . 0 0 "[ . 1 . ]" 1
827 1 107 GLN HA 1 108 ASN H 2.764 . 2.764 2.411 2.169 2.644 . 0 0 "[ . 1 . ]" 1
828 1 107 GLN H 1 107 GLN QB 2.500 . 2.500 2.371 2.059 2.522 0.022 5 0 "[ . 1 . ]" 1
829 1 107 GLN HA 1 107 GLN QG 5.500 . 5.500 2.722 2.259 3.361 . 0 0 "[ . 1 . ]" 1
830 1 107 GLN H 1 107 GLN QG 3.547 . 3.547 3.061 2.470 3.599 0.051 2 0 "[ . 1 . ]" 1
831 1 107 GLN H 1 108 ASN H 5.008 . 5.008 4.497 4.430 4.574 . 0 0 "[ . 1 . ]" 1
832 1 107 GLN H 1 115 THR MG 5.500 . 5.500 4.290 3.798 4.690 . 0 0 "[ . 1 . ]" 1
833 1 107 GLN H 1 116 LEU QB 5.500 . 5.500 4.701 2.591 5.499 . 0 0 "[ . 1 . ]" 1
834 1 107 GLN H 1 116 LEU QD 4.208 . 4.208 3.262 2.296 4.199 . 0 0 "[ . 1 . ]" 1
835 1 107 GLN H 1 116 LEU H 4.619 . 4.619 3.982 2.986 4.494 . 0 0 "[ . 1 . ]" 1
836 1 107 GLN QB 1 108 ASN H 3.471 . 3.471 2.601 1.992 3.477 0.007 2 0 "[ . 1 . ]" 1
837 1 107 GLN QB 1 108 ASN QD 5.500 . 5.500 4.769 3.732 5.410 . 0 0 "[ . 1 . ]" 1
838 1 107 GLN QE 1 107 GLN QG 4.153 . 4.153 2.253 2.069 2.595 . 0 0 "[ . 1 . ]" 1
839 1 108 ASN HA 1 108 ASN QB 3.363 . 3.363 2.282 2.158 2.415 . 0 0 "[ . 1 . ]" 1
840 1 108 ASN HA 1 109 ILE H 5.500 . 5.500 2.470 2.289 2.667 . 0 0 "[ . 1 . ]" 1
841 1 108 ASN HA 1 110 TYR H . . 5.104 4.381 3.845 4.785 . 0 0 "[ . 1 . ]" 1
842 1 108 ASN HA 1 115 THR HA 2.996 . 2.996 2.871 2.354 2.999 0.003 5 0 "[ . 1 . ]" 1
843 1 108 ASN HA 1 115 THR MG 5.500 . 5.500 4.303 3.722 4.667 . 0 0 "[ . 1 . ]" 1
844 1 108 ASN H 1 108 ASN QB 3.702 . 3.702 2.667 2.330 3.124 . 0 0 "[ . 1 . ]" 1
845 1 108 ASN QB 1 108 ASN QD . . 3.017 2.180 2.065 2.371 . 0 0 "[ . 1 . ]" 1
846 1 108 ASN H 1 109 ILE QG 5.406 . 5.406 5.162 4.870 5.328 . 0 0 "[ . 1 . ]" 1
847 1 108 ASN H 1 109 ILE H 5.347 . 5.347 4.525 4.394 4.624 . 0 0 "[ . 1 . ]" 1
848 1 108 ASN QB 1 113 CYS H 3.093 . 3.093 2.573 2.015 3.097 0.004 6 0 "[ . 1 . ]" 1
849 1 108 ASN QD 1 112 ALA HA 3.617 . 3.617 2.876 2.184 3.538 . 0 0 "[ . 1 . ]" 1
850 1 108 ASN QD 1 112 ALA MB 4.508 . 4.508 3.791 3.092 4.313 . 0 0 "[ . 1 . ]" 1
851 1 108 ASN H 1 108 ASN QD 4.549 . 4.549 2.931 2.165 3.960 . 0 0 "[ . 1 . ]" 1
852 1 109 ILE HA 1 109 ILE MG 2.900 . 2.900 2.186 2.064 2.289 . 0 0 "[ . 1 . ]" 1
853 1 109 ILE HB 1 110 TYR QD 5.500 . 5.500 2.080 1.898 2.332 0.002 10 0 "[ . 1 . ]" 1
854 1 109 ILE HB 1 109 ILE MD 4.169 . 4.169 2.577 2.465 3.211 . 0 0 "[ . 1 . ]" 1
855 1 109 ILE HA 1 109 ILE MD 3.854 . 3.854 3.695 2.386 3.829 . 0 0 "[ . 1 . ]" 1
856 1 109 ILE MD 1 109 ILE MG 2.500 . 2.500 1.910 1.900 1.941 0.000 14 0 "[ . 1 . ]" 1
857 1 109 ILE H 1 109 ILE MD 5.500 . 5.500 3.854 3.368 4.037 . 0 0 "[ . 1 . ]" 1
858 1 109 ILE QG 1 109 ILE MG 2.500 . 2.500 2.426 2.381 2.466 . 0 0 "[ . 1 . ]" 1
859 1 109 ILE QG 1 110 TYR QD 3.671 . 3.671 3.624 3.505 3.675 0.003 6 0 "[ . 1 . ]" 1
860 1 109 ILE HA 1 109 ILE QG 3.541 . 3.541 2.647 2.514 3.074 . 0 0 "[ . 1 . ]" 1
861 1 109 ILE H 1 109 ILE QG 4.201 . 4.201 2.210 2.018 2.396 . 0 0 "[ . 1 . ]" 1
862 1 109 ILE H 1 109 ILE MG 4.909 . 4.909 3.856 3.799 3.921 . 0 0 "[ . 1 . ]" 1
863 1 109 ILE MG 1 110 TYR QD 4.522 . 4.522 3.408 3.045 3.776 . 0 0 "[ . 1 . ]" 1
864 1 109 ILE MG 1 110 TYR QE 4.297 . 4.297 3.009 2.288 3.785 . 0 0 "[ . 1 . ]" 1
865 1 109 ILE MG 1 114 CYS QB 4.027 . 4.027 3.993 3.862 4.031 0.004 12 0 "[ . 1 . ]" 1
866 1 109 ILE MG 1 116 LEU QD 4.385 . 4.385 3.392 2.884 3.719 . 0 0 "[ . 1 . ]" 1
867 1 109 ILE HA 1 110 TYR H 4.680 . 4.680 3.500 3.369 3.572 . 0 0 "[ . 1 . ]" 1
868 1 109 ILE HB 1 110 TYR H 4.224 . 4.224 2.749 2.120 3.350 . 0 0 "[ . 1 . ]" 1
869 1 109 ILE HB 1 114 CYS QB 3.405 . 3.405 2.918 2.649 3.144 . 0 0 "[ . 1 . ]" 1
870 1 109 ILE MD 1 110 TYR H 5.411 . 5.411 4.659 4.173 5.079 . 0 0 "[ . 1 . ]" 1
871 1 109 ILE MD 1 114 CYS QB 3.405 . 3.405 2.657 2.011 3.410 0.005 5 0 "[ . 1 . ]" 1
872 1 109 ILE MG 1 110 TYR H 5.141 . 5.141 3.922 3.561 4.229 . 0 0 "[ . 1 . ]" 1
873 1 109 ILE MG 1 110 TYR HA 5.500 . 5.500 4.284 4.063 4.570 . 0 0 "[ . 1 . ]" 1
874 1 109 ILE H 1 110 TYR H 3.583 . 3.583 2.140 1.926 2.507 . 0 0 "[ . 1 . ]" 1
875 1 109 ILE H 1 114 CYS QB 4.379 . 4.379 2.783 2.208 3.308 . 0 0 "[ . 1 . ]" 1
876 1 110 TYR HA 1 110 TYR QB 3.212 . 3.212 2.380 2.294 2.438 . 0 0 "[ . 1 . ]" 1
877 1 110 TYR HA 1 110 TYR QD 3.923 . 3.923 3.114 3.010 3.216 . 0 0 "[ . 1 . ]" 1
878 1 110 TYR HA 1 111 ASN H 4.379 . 4.379 3.092 2.186 3.570 . 0 0 "[ . 1 . ]" 1
879 1 110 TYR H 1 110 TYR QB 5.004 . 5.004 2.533 2.350 2.924 . 0 0 "[ . 1 . ]" 1
880 1 110 TYR QB 1 111 ASN H 5.008 . 5.008 2.654 1.908 3.789 . 0 0 "[ . 1 . ]" 1
881 1 110 TYR QD 1 114 CYS QB 4.148 . 4.148 2.946 2.277 3.674 . 0 0 "[ . 1 . ]" 1
882 1 110 TYR H 1 113 CYS QB 5.500 . 5.500 4.641 3.841 5.314 . 0 0 "[ . 1 . ]" 1
883 1 111 ASN HA 1 112 ALA H 5.129 . 5.129 2.962 2.148 3.570 . 0 0 "[ . 1 . ]" 1
884 1 111 ASN QB 1 111 ASN QD 4.190 . 4.190 2.184 2.072 2.303 . 0 0 "[ . 1 . ]" 1
885 1 111 ASN HA 1 111 ASN QB 3.393 . 3.393 2.362 2.162 2.509 . 0 0 "[ . 1 . ]" 1
886 1 112 ALA HA 1 113 CYS H 3.890 . 3.890 2.656 2.349 2.884 . 0 0 "[ . 1 . ]" 1
887 1 112 ALA H 1 112 ALA MB 5.461 . 5.461 2.792 2.684 2.883 . 0 0 "[ . 1 . ]" 1
888 1 112 ALA MB 1 113 CYS H 4.749 . 4.749 3.557 2.649 3.720 . 0 0 "[ . 1 . ]" 1
889 1 112 ALA H 1 113 CYS H 4.816 . 4.816 2.841 2.137 4.416 . 0 0 "[ . 1 . ]" 1
890 1 113 CYS HA 1 114 CYS H 3.805 . 3.805 2.579 2.220 3.569 . 0 0 "[ . 1 . ]" 1
891 1 113 CYS H 1 113 CYS QB 4.064 . 4.064 2.987 2.583 3.495 . 0 0 "[ . 1 . ]" 1
892 1 113 CYS QB 1 114 CYS H 3.078 . 3.078 2.459 1.994 2.991 . 0 0 "[ . 1 . ]" 1
893 1 113 CYS H 1 114 CYS H 4.911 . 4.911 4.153 2.596 4.546 . 0 0 "[ . 1 . ]" 1
894 1 113 CYS HA 1 113 CYS QB 2.500 . 2.500 2.367 2.159 2.534 0.034 5 0 "[ . 1 . ]" 1
895 1 114 CYS HA 1 115 THR H 3.267 . 3.267 2.865 2.554 3.055 . 0 0 "[ . 1 . ]" 1
896 1 114 CYS HA 1 114 CYS QB 3.053 . 3.053 2.332 2.225 2.535 . 0 0 "[ . 1 . ]" 1
897 1 114 CYS H 1 114 CYS HA 3.135 . 3.135 2.349 2.273 2.825 . 0 0 "[ . 1 . ]" 1
898 1 114 CYS H 1 114 CYS QB 5.500 . 5.500 3.283 2.609 3.490 . 0 0 "[ . 1 . ]" 1
899 1 114 CYS H 1 115 THR H 4.110 . 4.110 2.696 2.409 3.669 . 0 0 "[ . 1 . ]" 1
900 1 115 THR HA 1 115 THR MG 3.969 . 3.969 2.248 2.066 2.395 . 0 0 "[ . 1 . ]" 1
901 1 115 THR HA 1 116 LEU H 2.632 . 2.632 2.169 2.141 2.231 . 0 0 "[ . 1 . ]" 1
902 1 115 THR H 1 115 THR HB 3.452 . 3.452 2.892 2.662 3.085 . 0 0 "[ . 1 . ]" 1
903 1 115 THR H 1 115 THR MG 4.369 . 4.369 3.708 3.613 3.787 . 0 0 "[ . 1 . ]" 1
904 1 115 THR MG 1 116 LEU H 3.464 . 3.464 2.592 1.905 3.143 . 0 0 "[ . 1 . ]" 1
905 1 115 THR MG 1 117 ARG QD 5.500 . 5.500 3.274 2.368 5.026 . 0 0 "[ . 1 . ]" 1
906 1 115 THR H 1 116 LEU H 5.330 . 5.330 4.501 4.298 4.615 . 0 0 "[ . 1 . ]" 1
907 1 116 LEU HA 1 116 LEU QB 3.178 . 3.178 2.234 2.149 2.458 . 0 0 "[ . 1 . ]" 1
908 1 116 LEU HA 1 117 ARG H 2.633 . 2.633 2.203 2.142 2.338 . 0 0 "[ . 1 . ]" 1
909 1 116 LEU H 1 116 LEU QB 2.880 . 2.880 2.700 2.448 2.883 0.003 8 0 "[ . 1 . ]" 1
910 1 116 LEU QB 1 117 ARG H 4.856 . 4.856 3.256 2.684 3.970 . 0 0 "[ . 1 . ]" 1
911 1 116 LEU QD 1 117 ARG H 3.668 . 3.668 3.566 2.965 3.673 0.005 4 0 "[ . 1 . ]" 1
912 1 117 ARG HA 1 117 ARG QB 3.098 . 3.098 2.422 2.322 2.538 . 0 0 "[ . 1 . ]" 1
913 1 117 ARG HA 1 118 ILE H 2.500 . 2.500 2.157 2.141 2.186 . 0 0 "[ . 1 . ]" 1
914 1 117 ARG HA 1 117 ARG QG 4.379 . 4.379 2.598 2.162 2.918 . 0 0 "[ . 1 . ]" 1
915 1 117 ARG H 1 117 ARG QG 4.379 . 4.379 3.180 2.629 4.152 . 0 0 "[ . 1 . ]" 1
916 1 117 ARG H 1 117 ARG QB 3.700 . 3.700 2.431 2.153 2.646 . 0 0 "[ . 1 . ]" 1
917 1 117 ARG QB 1 118 ILE H 4.705 . 4.705 3.468 3.092 3.738 . 0 0 "[ . 1 . ]" 1
918 1 117 ARG HA 1 117 ARG QD 2.918 . 2.918 2.423 1.901 2.918 . 0 0 "[ . 1 . ]" 1
919 1 117 ARG QD 1 118 ILE H 5.098 . 5.098 3.919 2.443 4.605 . 0 0 "[ . 1 . ]" 1
920 1 117 ARG HE 1 117 ARG QG 3.410 . 3.410 2.484 2.073 3.184 . 0 0 "[ . 1 . ]" 1
921 1 118 ILE HA 1 118 ILE MD 5.500 . 5.500 3.698 3.097 3.961 . 0 0 "[ . 1 . ]" 1
922 1 118 ILE HA 1 118 ILE QG 4.379 . 4.379 2.419 2.274 2.601 . 0 0 "[ . 1 . ]" 1
923 1 118 ILE HA 1 119 ASP H 2.500 . 2.500 2.210 2.162 2.257 . 0 0 "[ . 1 . ]" 1
924 1 118 ILE H 1 118 ILE HB 2.988 . 2.988 2.579 2.420 2.743 . 0 0 "[ . 1 . ]" 1
925 1 118 ILE H 1 118 ILE MG 3.983 . 3.983 3.814 3.748 3.870 . 0 0 "[ . 1 . ]" 1
926 1 118 ILE MG 1 119 ASP H 2.936 . 2.936 2.170 1.940 2.425 . 0 0 "[ . 1 . ]" 1
927 1 118 ILE H 1 118 ILE QG 3.618 . 3.618 2.767 2.185 3.576 . 0 0 "[ . 1 . ]" 1
928 1 118 ILE H 1 118 ILE MD 3.655 . 3.655 2.819 2.203 3.203 . 0 0 "[ . 1 . ]" 1
929 1 119 ASP HA 1 119 ASP QB 2.500 . 2.500 2.305 2.178 2.476 . 0 0 "[ . 1 . ]" 1
930 1 119 ASP H 1 119 ASP QB 3.140 . 3.140 2.969 2.762 3.146 0.006 10 0 "[ . 1 . ]" 1
931 1 119 ASP QB 1 120 PHE H 2.745 . 2.745 2.637 1.932 2.761 0.016 9 0 "[ . 1 . ]" 1
932 1 120 PHE HA 1 121 SER H 3.794 . 3.794 2.157 2.140 2.186 . 0 0 "[ . 1 . ]" 1
933 1 120 PHE H 1 120 PHE HB2 2.978 . 2.978 2.226 2.189 2.297 . 0 0 "[ . 1 . ]" 1
934 1 120 PHE HB3 1 121 SER H 3.976 . 3.976 3.359 3.175 3.586 . 0 0 "[ . 1 . ]" 1
935 1 120 PHE HA 1 120 PHE QD 2.500 . 2.500 2.493 2.427 2.527 0.027 14 0 "[ . 1 . ]" 1
936 1 120 PHE H 1 120 PHE QD 3.290 . 3.290 2.931 2.300 3.308 0.018 14 0 "[ . 1 . ]" 1
937 1 120 PHE QD 1 121 SER H 4.689 . 4.689 3.497 3.120 4.295 . 0 0 "[ . 1 . ]" 1
938 1 121 SER HA 1 121 SER QB 3.627 . 3.627 2.315 2.221 2.481 . 0 0 "[ . 1 . ]" 1
939 1 121 SER H 1 121 SER QB 2.679 . 2.679 2.209 2.135 2.262 . 0 0 "[ . 1 . ]" 1
940 1 122 LYS HA 1 122 LYS QB 2.500 . 2.500 2.484 2.335 2.534 0.034 15 0 "[ . 1 . ]" 1
941 1 122 LYS HA 1 122 LYS QG 3.175 . 3.175 2.253 2.006 2.620 . 0 0 "[ . 1 . ]" 1
942 1 122 LYS H 1 122 LYS QG 5.500 . 5.500 3.722 3.160 4.044 . 0 0 "[ . 1 . ]" 1
943 1 123 LEU HA 1 123 LEU QD 2.500 . 2.500 2.338 1.861 2.536 0.039 8 0 "[ . 1 . ]" 1
944 1 123 LEU HA 1 123 LEU HG 4.294 . 4.294 2.987 2.391 3.802 . 0 0 "[ . 1 . ]" 1
945 1 123 LEU HA 1 124 THR H 3.038 . 3.038 3.118 3.062 3.230 0.193 8 0 "[ . 1 . ]" 1
946 1 123 LEU HA 1 125 SER H 5.500 . 5.500 4.184 4.128 4.216 . 0 0 "[ . 1 . ]" 1
947 1 123 LEU HA 1 123 LEU QB 2.500 . 2.500 2.376 2.233 2.531 0.031 4 0 "[ . 1 . ]" 1
948 1 123 LEU QB 1 124 THR H 3.713 . 3.713 3.543 3.306 3.662 . 0 0 "[ . 1 . ]" 1
949 1 123 LEU QB 1 125 SER H 2.904 . 2.904 2.768 2.581 2.948 0.045 16 0 "[ . 1 . ]" 1
950 1 123 LEU QD 1 124 THR H 4.391 . 4.391 4.069 3.548 4.379 . 0 0 "[ . 1 . ]" 1
951 1 123 LEU QD 1 125 SER H 5.500 . 5.500 3.901 3.451 4.235 . 0 0 "[ . 1 . ]" 1
952 1 124 THR HA 1 125 SER H 5.500 . 5.500 3.041 2.971 3.082 . 0 0 "[ . 1 . ]" 1
953 1 124 THR HA 1 124 THR MG 2.649 . 2.649 2.199 1.911 2.526 . 0 0 "[ . 1 . ]" 1
954 1 124 THR H 1 124 THR MG 3.887 . 3.887 2.841 2.437 3.325 . 0 0 "[ . 1 . ]" 1
955 1 124 THR MG 1 125 SER H 4.404 . 4.404 4.323 4.108 4.428 0.025 10 0 "[ . 1 . ]" 1
956 1 124 THR H 1 125 SER H 2.537 . 2.537 2.655 2.622 2.709 0.173 5 0 "[ . 1 . ]" 1
957 1 125 SER HA 1 125 SER QB 2.500 . 2.500 2.252 2.157 2.493 . 0 0 "[ . 1 . ]" 1
958 1 125 SER HA 1 126 LEU H 2.500 . 2.500 2.359 2.207 2.514 0.014 10 0 "[ . 1 . ]" 1
959 1 125 SER HA 1 126 LEU QD 5.500 . 5.500 3.472 2.324 5.020 . 0 0 "[ . 1 . ]" 1
960 1 125 SER HA 1 126 LEU HG 5.500 . 5.500 3.921 2.966 5.359 . 0 0 "[ . 1 . ]" 1
961 1 125 SER H 1 125 SER QB 3.382 . 3.382 3.270 2.715 3.449 0.067 10 0 "[ . 1 . ]" 1
962 1 125 SER QB 1 126 LEU H 2.963 . 2.963 2.569 2.145 2.878 . 0 0 "[ . 1 . ]" 1
963 1 125 SER H 1 126 LEU H 5.006 . 5.006 4.314 4.215 4.409 . 0 0 "[ . 1 . ]" 1
964 1 126 LEU H 1 126 LEU QD 4.216 . 4.216 2.476 1.873 4.039 0.027 6 0 "[ . 1 . ]" 1
965 1 126 LEU H 1 126 LEU QB 3.053 . 3.053 2.950 2.607 3.075 0.022 12 0 "[ . 1 . ]" 1
966 1 126 LEU H 1 126 LEU HG 4.415 . 4.415 2.652 1.946 4.424 0.009 4 0 "[ . 1 . ]" 1
967 1 127 ASN HA 1 127 ASN QB 2.500 . 2.500 2.263 2.175 2.507 0.007 4 0 "[ . 1 . ]" 1
968 1 127 ASN HA 1 128 VAL H 3.946 . 3.946 2.274 2.142 2.645 . 0 0 "[ . 1 . ]" 1
969 1 127 ASN HA 1 128 VAL HB 5.500 . 5.500 4.903 4.480 5.193 . 0 0 "[ . 1 . ]" 1
970 1 128 VAL HA 1 129 LYS H 4.274 . 4.274 2.178 2.139 2.242 . 0 0 "[ . 1 . ]" 1
971 1 128 VAL HA 1 130 TYR H 5.500 . 5.500 3.444 3.083 3.966 . 0 0 "[ . 1 . ]" 1
972 1 128 VAL HA 1 128 VAL QG 2.500 . 2.500 2.160 2.108 2.368 . 0 0 "[ . 1 . ]" 1
973 1 128 VAL QG 1 129 LYS HA 3.600 . 3.600 3.592 3.303 3.642 0.042 5 0 "[ . 1 . ]" 1
974 1 128 VAL QG 1 130 TYR H 3.071 . 3.071 2.772 2.052 3.079 0.008 14 0 "[ . 1 . ]" 1
975 1 128 VAL QG 1 135 SER QB 2.601 . 2.601 2.476 1.927 2.623 0.022 16 0 "[ . 1 . ]" 1
976 1 128 VAL HB 1 137 ASP QB 3.788 . 3.788 3.637 2.228 3.809 0.022 15 0 "[ . 1 . ]" 1
977 1 128 VAL H 1 128 VAL QG 4.688 . 4.688 2.441 2.071 2.712 . 0 0 "[ . 1 . ]" 1
978 1 129 LYS HA 1 130 TYR H 4.346 . 4.346 3.004 2.753 3.303 . 0 0 "[ . 1 . ]" 1
979 1 129 LYS HA 1 129 LYS QB 2.770 . 2.770 2.194 2.148 2.353 . 0 0 "[ . 1 . ]" 1
980 1 129 LYS QB 1 130 TYR H 4.300 . 4.300 3.786 3.288 3.990 . 0 0 "[ . 1 . ]" 1
981 1 129 LYS HA 1 129 LYS QD 4.796 . 4.796 3.325 2.766 4.158 . 0 0 "[ . 1 . ]" 1
982 1 129 LYS HA 1 129 LYS QG 3.285 . 3.285 3.090 2.528 3.316 0.032 16 0 "[ . 1 . ]" 1
983 1 129 LYS H 1 129 LYS QG 5.332 . 5.332 2.304 2.171 2.792 . 0 0 "[ . 1 . ]" 1
984 1 129 LYS QG 1 130 TYR H 4.237 . 4.237 4.064 3.775 4.251 0.014 3 0 "[ . 1 . ]" 1
985 1 129 LYS H 1 130 TYR H 4.245 . 4.245 2.151 1.885 2.542 0.015 16 0 "[ . 1 . ]" 1
986 1 129 LYS QD 1 130 TYR QE 5.500 . 5.500 3.759 2.018 4.683 . 0 0 "[ . 1 . ]" 1
987 1 129 LYS QE 1 130 TYR QE 4.086 . 4.086 4.066 3.893 4.097 0.010 4 0 "[ . 1 . ]" 1
988 1 130 TYR HA 1 131 ASN HA 5.500 . 5.500 4.401 4.340 4.453 . 0 0 "[ . 1 . ]" 1
989 1 130 TYR HA 1 131 ASN H 2.940 . 2.940 2.255 2.158 2.381 . 0 0 "[ . 1 . ]" 1
990 1 130 TYR HA 1 143 LEU QB 3.757 . 3.757 2.889 2.504 3.755 . 0 0 "[ . 1 . ]" 1
991 1 130 TYR H 1 130 TYR HB2 3.909 . 3.909 3.130 2.988 3.222 . 0 0 "[ . 1 . ]" 1
992 1 130 TYR HB3 1 131 ASN H 4.064 . 4.064 2.952 2.589 3.301 . 0 0 "[ . 1 . ]" 1
993 1 130 TYR HA 1 130 TYR QD 3.384 . 3.384 3.145 2.774 3.327 . 0 0 "[ . 1 . ]" 1
994 1 130 TYR H 1 131 ASN H 5.423 . 5.423 4.272 4.102 4.389 . 0 0 "[ . 1 . ]" 1
995 1 130 TYR QB 1 132 ASN QD 4.031 . 4.031 2.823 1.903 3.916 . 0 0 "[ . 1 . ]" 1
996 1 130 TYR HA 1 130 TYR QE 5.500 . 5.500 4.908 4.635 5.026 . 0 0 "[ . 1 . ]" 1
997 1 130 TYR QE 1 144 PRO QG 4.329 . 4.329 4.015 3.077 4.337 0.008 4 0 "[ . 1 . ]" 1
998 1 130 TYR QE 1 146 GLY H 5.244 . 5.244 5.018 4.036 5.250 0.005 15 0 "[ . 1 . ]" 1
999 1 131 ASN HA 1 132 ASN H 2.571 . 2.571 2.194 2.142 2.250 . 0 0 "[ . 1 . ]" 1
1000 1 131 ASN HA 1 133 ASP H 5.459 . 5.459 4.940 3.416 5.593 0.135 15 0 "[ . 1 . ]" 1
1001 1 131 ASN HA 1 136 ARG HA 3.550 . 3.550 3.538 3.461 3.591 0.040 16 0 "[ . 1 . ]" 1
1002 1 131 ASN HA 1 136 ARG QD 5.500 . 5.500 4.305 3.657 4.893 . 0 0 "[ . 1 . ]" 1
1003 1 131 ASN HA 1 137 ASP H 5.500 . 5.500 4.083 3.734 4.634 . 0 0 "[ . 1 . ]" 1
1004 1 131 ASN HA 1 131 ASN QB 3.566 . 3.566 2.508 2.385 2.540 . 0 0 "[ . 1 . ]" 1
1005 1 131 ASN H 1 131 ASN QB 3.347 . 3.347 2.384 2.105 2.641 . 0 0 "[ . 1 . ]" 1
1006 1 131 ASN QB 1 132 ASN H 4.791 . 4.791 3.638 2.914 3.877 . 0 0 "[ . 1 . ]" 1
1007 1 131 ASN QD 1 143 LEU QB . . 3.522 2.557 1.900 3.421 . 0 0 "[ . 1 . ]" 1
1008 1 131 ASN QD 1 143 LEU H 3.462 . 3.462 3.210 2.607 3.474 0.012 15 0 "[ . 1 . ]" 1
1009 1 131 ASN H 1 131 ASN QD 5.500 . 5.500 4.124 2.999 4.883 . 0 0 "[ . 1 . ]" 1
1010 1 131 ASN QB 1 131 ASN QD 3.091 . 3.091 2.131 2.062 2.221 . 0 0 "[ . 1 . ]" 1
1011 1 131 ASN QD 1 141 PRO HA 3.068 . 3.068 2.488 1.892 3.073 0.008 10 0 "[ . 1 . ]" 1
1012 1 131 ASN H 1 143 LEU QB 5.500 . 5.500 3.388 2.831 4.346 . 0 0 "[ . 1 . ]" 1
1013 1 131 ASN H 1 145 SER HA 4.443 . 4.443 2.659 2.144 3.268 . 0 0 "[ . 1 . ]" 1
1014 1 132 ASN HA 1 132 ASN QB 2.780 . 2.780 2.184 2.151 2.490 . 0 0 "[ . 1 . ]" 1
1015 1 132 ASN QB 1 134 LYS H 5.457 . 5.457 3.629 2.514 4.796 . 0 0 "[ . 1 . ]" 1
1016 1 132 ASN H 1 132 ASN QB 5.202 . 5.202 3.211 2.502 3.419 . 0 0 "[ . 1 . ]" 1
1017 1 132 ASN QB 1 133 ASP H 3.390 . 3.390 2.756 2.008 3.461 0.071 5 0 "[ . 1 . ]" 1
1018 1 132 ASN QB 1 145 SER HA 5.500 . 5.500 3.509 2.864 4.751 . 0 0 "[ . 1 . ]" 1
1019 1 132 ASN QB 1 145 SER QB 4.379 . 4.379 3.326 2.127 4.383 0.005 14 0 "[ . 1 . ]" 1
1020 1 132 ASN QB 1 132 ASN QD 3.757 . 3.757 2.230 2.063 2.497 . 0 0 "[ . 1 . ]" 1
1021 1 132 ASN H 1 134 LYS H 4.659 . 4.659 4.406 3.920 4.724 0.065 15 0 "[ . 1 . ]" 1
1022 1 132 ASN H 1 135 SER H 3.581 . 3.581 3.313 2.558 3.612 0.031 15 0 "[ . 1 . ]" 1
1023 1 132 ASN H 1 136 ARG QD 4.578 . 4.578 4.506 4.224 4.589 0.011 16 0 "[ . 1 . ]" 1
1024 1 133 ASP HA 1 133 ASP QB 5.500 . 5.500 2.331 2.157 2.531 . 0 0 "[ . 1 . ]" 1
1025 1 133 ASP H 1 133 ASP QB 3.828 . 3.828 2.728 2.148 3.264 . 0 0 "[ . 1 . ]" 1
1026 1 133 ASP QB 1 134 LYS QG 5.500 . 5.500 3.757 2.940 4.883 . 0 0 "[ . 1 . ]" 1
1027 1 133 ASP QB 1 134 LYS H 3.755 . 3.755 2.992 2.195 3.879 0.124 3 0 "[ . 1 . ]" 1
1028 1 134 LYS HA 1 134 LYS QB 4.147 . 4.147 2.424 2.314 2.491 . 0 0 "[ . 1 . ]" 1
1029 1 134 LYS H 1 134 LYS HB2 3.442 . 3.442 2.487 2.191 3.432 . 0 0 "[ . 1 . ]" 1
1030 1 134 LYS HB2 1 135 SER H 4.073 . 4.073 3.056 2.513 4.060 . 0 0 "[ . 1 . ]" 1
1031 1 134 LYS H 1 134 LYS QG 3.814 . 3.814 2.695 2.089 3.223 . 0 0 "[ . 1 . ]" 1
1032 1 134 LYS QG 1 135 SER H 5.008 . 5.008 4.311 3.915 4.765 . 0 0 "[ . 1 . ]" 1
1033 1 134 LYS H 1 135 SER H 2.500 . 2.500 2.518 2.477 2.603 0.103 5 0 "[ . 1 . ]" 1
1034 1 135 SER HA 1 135 SER QB 2.545 . 2.545 2.254 2.159 2.537 . 0 0 "[ . 1 . ]" 1
1035 1 135 SER HA 1 136 ARG HA 5.500 . 5.500 4.516 4.392 4.598 . 0 0 "[ . 1 . ]" 1
1036 1 135 SER HA 1 136 ARG H 2.500 . 2.500 2.384 2.140 2.544 0.044 14 0 "[ . 1 . ]" 1
1037 1 135 SER QB 1 136 ARG H 3.389 . 3.389 2.672 2.244 3.286 . 0 0 "[ . 1 . ]" 1
1038 1 135 SER H 1 135 SER QB 3.821 . 3.821 2.854 2.261 3.204 . 0 0 "[ . 1 . ]" 1
1039 1 135 SER H 1 136 ARG H 4.759 . 4.759 4.424 4.211 4.528 . 0 0 "[ . 1 . ]" 1
1040 1 136 ARG QD 1 138 TYR QD 5.500 . 5.500 4.530 3.394 5.328 . 0 0 "[ . 1 . ]" 1
1041 1 136 ARG QD 1 138 TYR QE 3.817 . 3.817 3.627 2.703 3.823 0.005 16 0 "[ . 1 . ]" 1
1042 1 136 ARG HB3 1 138 TYR QE 4.220 . 4.220 3.795 3.133 4.211 . 0 0 "[ . 1 . ]" 1
1043 1 136 ARG QG 1 138 TYR HA 5.500 . 5.500 4.514 4.122 4.942 . 0 0 "[ . 1 . ]" 1
1044 1 136 ARG QG 1 138 TYR QD 5.500 . 5.500 3.482 3.247 3.772 . 0 0 "[ . 1 . ]" 1
1045 1 136 ARG QG 1 138 TYR QE 4.883 . 4.883 2.486 2.125 2.727 . 0 0 "[ . 1 . ]" 1
1046 1 136 ARG H 1 136 ARG HB3 3.902 . 3.902 2.982 2.725 3.189 . 0 0 "[ . 1 . ]" 1
1047 1 136 ARG HA 1 136 ARG QD 3.843 . 3.843 2.175 1.895 2.515 0.005 2 0 "[ . 1 . ]" 1
1048 1 136 ARG HB2 1 136 ARG QD 4.794 . 4.794 2.400 2.107 2.832 . 0 0 "[ . 1 . ]" 1
1049 1 136 ARG QD 1 137 ASP H 4.581 . 4.581 3.152 2.083 4.054 . 0 0 "[ . 1 . ]" 1
1050 1 136 ARG HA 1 136 ARG QG 3.699 . 3.699 2.808 2.596 3.005 . 0 0 "[ . 1 . ]" 1
1051 1 136 ARG HB2 1 136 ARG QG 4.379 . 4.379 2.386 2.299 2.472 . 0 0 "[ . 1 . ]" 1
1052 1 136 ARG HA 1 137 ASP QB 5.500 . 5.500 4.394 3.971 4.714 . 0 0 "[ . 1 . ]" 1
1053 1 136 ARG QG 1 137 ASP H 4.945 . 4.945 3.051 2.256 3.619 . 0 0 "[ . 1 . ]" 1
1054 1 136 ARG HB2 1 136 ARG HE 4.892 . 4.892 3.672 2.088 4.408 . 0 0 "[ . 1 . ]" 1
1055 1 136 ARG HE 1 136 ARG QG 5.500 . 5.500 2.451 2.146 3.052 . 0 0 "[ . 1 . ]" 1
1056 1 137 ASP HA 1 137 ASP QB . . 3.285 2.240 2.169 2.485 . 0 0 "[ . 1 . ]" 1
1057 1 137 ASP HA 1 138 TYR H 2.787 . 2.787 2.177 2.137 2.267 . 0 0 "[ . 1 . ]" 1
1058 1 137 ASP HA 1 138 TYR QD 5.500 . 5.500 4.332 3.969 4.622 . 0 0 "[ . 1 . ]" 1
1059 1 137 ASP HA 1 139 THR H 4.947 . 4.947 3.880 3.303 4.804 . 0 0 "[ . 1 . ]" 1
1060 1 137 ASP H 1 137 ASP QB 3.196 . 3.196 2.780 2.250 3.173 . 0 0 "[ . 1 . ]" 1
1061 1 137 ASP QB 1 138 TYR H 5.298 . 5.298 3.340 2.749 3.980 . 0 0 "[ . 1 . ]" 1
1062 1 137 ASP QB 1 140 ARG H 3.946 . 3.946 3.221 2.452 3.765 . 0 0 "[ . 1 . ]" 1
1063 1 138 TYR HA 1 139 THR H 4.692 . 4.692 2.913 2.428 3.435 . 0 0 "[ . 1 . ]" 1
1064 1 138 TYR HA 1 139 THR MG 5.500 . 5.500 4.404 3.913 4.900 . 0 0 "[ . 1 . ]" 1
1065 1 138 TYR HA 1 140 ARG H 5.352 . 5.352 4.198 3.457 4.929 . 0 0 "[ . 1 . ]" 1
1066 1 138 TYR HA 1 138 TYR HB3 3.010 . 3.010 2.428 2.353 2.464 . 0 0 "[ . 1 . ]" 1
1067 1 138 TYR H 1 138 TYR HB2 3.564 . 3.564 2.613 2.507 2.864 . 0 0 "[ . 1 . ]" 1
1068 1 138 TYR HB2 1 139 THR H 5.080 . 5.080 4.017 3.095 4.427 . 0 0 "[ . 1 . ]" 1
1069 1 138 TYR H 1 138 TYR QD 3.191 . 3.191 3.130 2.922 3.196 0.005 16 0 "[ . 1 . ]" 1
1070 1 138 TYR HA 1 138 TYR QD 3.214 . 3.214 2.469 2.278 2.657 . 0 0 "[ . 1 . ]" 1
1071 1 138 TYR QD 1 139 THR MG 5.500 . 5.500 5.161 4.463 5.504 0.004 9 0 "[ . 1 . ]" 1
1072 1 138 TYR HA 1 138 TYR QE 5.500 . 5.500 4.557 4.460 4.736 . 0 0 "[ . 1 . ]" 1
1073 1 138 TYR H 1 138 TYR QE 5.207 . 5.207 4.694 4.544 4.840 . 0 0 "[ . 1 . ]" 1
1074 1 138 TYR H 1 139 THR MG 4.564 . 4.564 3.160 2.601 3.581 . 0 0 "[ . 1 . ]" 1
1075 1 138 TYR H 1 139 THR H 3.559 . 3.559 2.793 2.197 3.562 0.003 2 0 "[ . 1 . ]" 1
1076 1 138 TYR H 1 140 ARG H 4.587 . 4.587 4.387 3.855 4.600 0.013 16 0 "[ . 1 . ]" 1
1077 1 139 THR HA 1 140 ARG H 3.722 . 3.722 3.447 3.122 3.560 . 0 0 "[ . 1 . ]" 1
1078 1 139 THR HB 1 140 ARG H 5.106 . 5.106 4.126 3.717 4.532 . 0 0 "[ . 1 . ]" 1
1079 1 139 THR H 1 139 THR MG 3.052 . 3.052 2.216 1.916 2.889 . 0 0 "[ . 1 . ]" 1
1080 1 139 THR MG 1 140 ARG H 4.406 . 4.406 2.388 1.897 3.673 0.003 3 0 "[ . 1 . ]" 1
1081 1 139 THR H 1 140 ARG H 2.500 . 2.500 2.052 1.893 2.506 0.007 16 0 "[ . 1 . ]" 1
1082 1 139 THR MG 1 141 PRO QD 5.500 . 5.500 4.827 3.810 5.353 . 0 0 "[ . 1 . ]" 1
1083 1 140 ARG H 1 140 ARG QG 4.281 . 4.281 3.489 2.479 4.317 0.036 3 0 "[ . 1 . ]" 1
1084 1 140 ARG HA 1 140 ARG QG 3.083 . 3.083 2.386 2.102 2.998 . 0 0 "[ . 1 . ]" 1
1085 1 140 ARG HA 1 142 ASP H 3.930 . 3.930 3.342 3.205 3.577 . 0 0 "[ . 1 . ]" 1
1086 1 140 ARG H 1 141 PRO QD 4.661 . 4.661 3.379 2.494 3.978 . 0 0 "[ . 1 . ]" 1
1087 1 140 ARG HA 1 141 PRO QD 2.500 . 2.500 2.021 1.930 2.278 . 0 0 "[ . 1 . ]" 1
1088 1 141 PRO HA 1 142 ASP H 3.841 . 3.841 3.370 3.155 3.512 . 0 0 "[ . 1 . ]" 1
1089 1 141 PRO HA 1 141 PRO QB 2.500 . 2.500 2.193 2.183 2.251 . 0 0 "[ . 1 . ]" 1
1090 1 141 PRO QB 1 142 ASP H 5.036 . 5.036 3.547 2.767 3.886 . 0 0 "[ . 1 . ]" 1
1091 1 141 PRO QD 1 142 ASP H 3.891 . 3.891 2.584 2.172 3.205 . 0 0 "[ . 1 . ]" 1
1092 1 141 PRO QD 1 143 LEU QD 3.811 . 3.811 3.832 3.818 3.847 0.036 6 0 "[ . 1 . ]" 1
1093 1 142 ASP HA 1 143 LEU H 3.828 . 3.828 3.061 2.897 3.485 . 0 0 "[ . 1 . ]" 1
1094 1 142 ASP H 1 142 ASP QB 2.829 . 2.829 2.259 2.111 2.805 . 0 0 "[ . 1 . ]" 1
1095 1 142 ASP QB 1 143 LEU H 3.968 . 3.968 3.622 2.929 4.005 0.037 16 0 "[ . 1 . ]" 1
1096 1 142 ASP H 1 143 LEU QD 5.157 . 5.157 2.666 2.240 3.570 . 0 0 "[ . 1 . ]" 1
1097 1 142 ASP H 1 143 LEU H 2.923 . 2.923 2.854 2.629 2.939 0.016 5 0 "[ . 1 . ]" 1
1098 1 143 LEU HA 1 143 LEU QB 2.654 . 2.654 2.391 2.272 2.448 . 0 0 "[ . 1 . ]" 1
1099 1 143 LEU HA 1 143 LEU HG 4.473 . 4.473 3.532 2.822 3.789 . 0 0 "[ . 1 . ]" 1
1100 1 143 LEU HA 1 144 PRO QG 4.228 . 4.228 3.992 3.903 4.084 . 0 0 "[ . 1 . ]" 1
1101 1 143 LEU H 1 143 LEU QB 2.606 . 2.606 2.411 2.245 2.629 0.023 5 0 "[ . 1 . ]" 1
1102 1 143 LEU QB 1 144 PRO QD 2.500 . 2.500 2.163 1.889 2.506 0.011 5 0 "[ . 1 . ]" 1
1103 1 143 LEU HA 1 143 LEU QD 2.500 . 2.500 1.998 1.885 2.190 0.015 10 0 "[ . 1 . ]" 1
1104 1 143 LEU QB 1 143 LEU QD 2.500 . 2.500 1.961 1.892 2.047 0.008 10 0 "[ . 1 . ]" 1
1105 1 143 LEU H 1 143 LEU QD 3.316 . 3.316 2.051 1.878 2.479 0.022 5 0 "[ . 1 . ]" 1
1106 1 143 LEU QD 1 144 PRO QD 3.763 . 3.763 2.599 1.930 3.356 . 0 0 "[ . 1 . ]" 1
1107 1 143 LEU H 1 143 LEU HG 4.053 . 4.053 3.819 2.785 4.061 0.008 14 0 "[ . 1 . ]" 1
1108 1 143 LEU H 1 144 PRO QD 4.791 . 4.791 4.374 4.323 4.399 . 0 0 "[ . 1 . ]" 1
1109 1 144 PRO HA 1 144 PRO QB 2.500 . 2.500 2.181 2.180 2.183 . 0 0 "[ . 1 . ]" 1
1110 1 144 PRO HA 1 145 SER H 2.500 . 2.500 2.461 2.319 2.513 0.013 15 0 "[ . 1 . ]" 1
1111 1 144 PRO QB 1 145 SER H 3.196 . 3.196 2.407 2.279 2.733 . 0 0 "[ . 1 . ]" 1
1112 1 144 PRO QB 1 144 PRO QD 3.849 . 3.849 2.765 2.748 2.777 . 0 0 "[ . 1 . ]" 1
1113 1 144 PRO QB 1 146 GLY H 5.336 . 5.336 2.435 2.150 2.812 . 0 0 "[ . 1 . ]" 1
1114 1 144 PRO QD 1 144 PRO QG 2.500 . 2.500 1.966 1.963 1.970 . 0 0 "[ . 1 . ]" 1
1115 1 144 PRO QG 1 146 GLY H 5.140 . 5.140 3.264 2.716 3.934 . 0 0 "[ . 1 . ]" 1
1116 1 145 SER HA 1 145 SER QB 2.500 . 2.500 2.304 2.159 2.466 . 0 0 "[ . 1 . ]" 1
1117 1 145 SER H 1 145 SER QB 3.624 . 3.624 2.672 2.348 3.111 . 0 0 "[ . 1 . ]" 1
1118 1 145 SER QB 1 146 GLY H 4.944 . 4.944 3.855 3.598 4.047 . 0 0 "[ . 1 . ]" 1
1119 1 145 SER QB 1 147 ASP H 5.500 . 5.500 4.893 3.610 5.500 . 0 0 "[ . 1 . ]" 1
1120 1 145 SER H 1 146 GLY H 2.937 . 2.937 2.672 2.198 2.939 0.002 15 0 "[ . 1 . ]" 1
1121 1 146 GLY H 1 146 GLY QA 2.500 . 2.500 2.287 2.190 2.497 . 0 0 "[ . 1 . ]" 1
1122 1 146 GLY QA 1 147 ASP H 2.625 . 2.625 2.366 2.110 2.584 . 0 0 "[ . 1 . ]" 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 253
_Distance_constraint_stats_list.Viol_count 315
_Distance_constraint_stats_list.Viol_total 90.183
_Distance_constraint_stats_list.Viol_max 0.186
_Distance_constraint_stats_list.Viol_rms 0.0094
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0179
_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 43 GLN 0.004 0.002 12 0 "[ . 1 . ]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 45 PRO 0.391 0.029 4 0 "[ . 1 . ]"
1 46 VAL 0.131 0.024 16 0 "[ . 1 . ]"
1 47 LEU 0.210 0.023 5 0 "[ . 1 . ]"
1 48 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 49 ILE 0.316 0.047 15 0 "[ . 1 . ]"
1 50 ILE 0.003 0.003 3 0 "[ . 1 . ]"
1 51 VAL 0.074 0.016 8 0 "[ . 1 . ]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 53 ASN 0.005 0.005 4 0 "[ . 1 . ]"
1 55 PHE 0.005 0.005 4 0 "[ . 1 . ]"
1 57 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 58 VAL 0.048 0.012 8 0 "[ . 1 . ]"
1 59 THR 0.007 0.004 6 0 "[ . 1 . ]"
1 60 LEU 0.180 0.026 2 0 "[ . 1 . ]"
1 61 ASP 0.079 0.026 2 0 "[ . 1 . ]"
1 62 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 64 HIS 0.002 0.002 14 0 "[ . 1 . ]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 66 ILE 0.124 0.032 5 0 "[ . 1 . ]"
1 67 PHE 0.044 0.007 14 0 "[ . 1 . ]"
1 68 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 70 PHE 0.058 0.010 15 0 "[ . 1 . ]"
1 71 GLY 0.981 0.155 14 0 "[ . 1 . ]"
1 72 THR 0.981 0.155 14 0 "[ . 1 . ]"
1 73 VAL 0.998 0.155 14 0 "[ . 1 . ]"
1 74 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 75 LYS 0.000 0.000 15 0 "[ . 1 . ]"
1 76 ILE 0.373 0.047 15 0 "[ . 1 . ]"
1 77 ILE 0.115 0.048 16 0 "[ . 1 . ]"
1 78 THR 0.002 0.002 14 0 "[ . 1 . ]"
1 79 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 80 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 84 GLN 0.021 0.016 8 0 "[ . 1 . ]"
1 85 PHE 0.067 0.028 4 0 "[ . 1 . ]"
1 86 GLN 0.037 0.028 4 0 "[ . 1 . ]"
1 87 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 88 LEU 0.463 0.077 8 0 "[ . 1 . ]"
1 89 LEU 0.562 0.074 10 0 "[ . 1 . ]"
1 90 GLN 0.279 0.074 10 0 "[ . 1 . ]"
1 91 TYR 0.112 0.045 10 0 "[ . 1 . ]"
1 92 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 93 ASP 0.204 0.029 4 0 "[ . 1 . ]"
1 94 PRO 0.247 0.029 4 0 "[ . 1 . ]"
1 95 VAL 0.129 0.021 4 0 "[ . 1 . ]"
1 96 SER 0.147 0.021 4 0 "[ . 1 . ]"
1 97 ALA 0.220 0.023 5 0 "[ . 1 . ]"
1 98 GLN 0.226 0.021 4 0 "[ . 1 . ]"
1 99 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 100 ALA 0.003 0.003 8 0 "[ . 1 . ]"
1 101 LYS 0.042 0.015 12 0 "[ . 1 . ]"
1 102 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 103 SER 0.019 0.010 15 0 "[ . 1 . ]"
1 104 LEU 0.105 0.015 12 0 "[ . 1 . ]"
1 105 ASP 0.033 0.015 12 0 "[ . 1 . ]"
1 106 GLY 0.005 0.005 9 0 "[ . 1 . ]"
1 107 GLN 0.038 0.014 12 0 "[ . 1 . ]"
1 108 ASN 0.006 0.003 10 0 "[ . 1 . ]"
1 109 ILE 0.006 0.003 10 0 "[ . 1 . ]"
1 110 TYR 0.007 0.004 6 0 "[ . 1 . ]"
1 111 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 112 ALA 0.006 0.003 10 0 "[ . 1 . ]"
1 113 CYS 0.005 0.005 4 0 "[ . 1 . ]"
1 114 CYS 0.041 0.012 8 0 "[ . 1 . ]"
1 115 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 116 LEU 0.002 0.002 2 0 "[ . 1 . ]"
1 117 ARG 0.003 0.003 3 0 "[ . 1 . ]"
1 118 ILE 0.026 0.007 14 0 "[ . 1 . ]"
1 119 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 120 PHE 0.068 0.009 14 0 "[ . 1 . ]"
1 121 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 122 LYS 1.691 0.186 8 0 "[ . 1 . ]"
1 123 LEU 2.412 0.186 8 0 "[ . 1 . ]"
1 124 THR 2.117 0.186 8 0 "[ . 1 . ]"
1 125 SER 0.558 0.077 8 0 "[ . 1 . ]"
1 126 LEU 0.430 0.074 10 0 "[ . 1 . ]"
1 128 VAL 0.179 0.048 16 0 "[ . 1 . ]"
1 129 LYS 0.124 0.032 5 0 "[ . 1 . ]"
1 130 TYR 0.002 0.002 5 0 "[ . 1 . ]"
1 131 ASN 0.040 0.010 5 0 "[ . 1 . ]"
1 132 ASN 0.017 0.010 8 0 "[ . 1 . ]"
1 133 ASP 0.017 0.010 8 0 "[ . 1 . ]"
1 134 LYS 0.045 0.010 8 0 "[ . 1 . ]"
1 135 SER 0.070 0.020 4 0 "[ . 1 . ]"
1 136 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 137 ASP 0.050 0.023 15 0 "[ . 1 . ]"
1 138 TYR 0.031 0.010 15 0 "[ . 1 . ]"
1 139 THR 0.000 0.000 15 0 "[ . 1 . ]"
1 140 ARG 0.010 0.008 3 0 "[ . 1 . ]"
1 141 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 143 LEU 0.074 0.023 15 0 "[ . 1 . ]"
1 144 PRO 0.030 0.009 16 0 "[ . 1 . ]"
1 145 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 147 ASP 0.000 0.000 . 0 "[ . 1 . ]"
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 43 GLN H 1 43 GLN HA 2.839 . 2.839 2.220 1.975 2.497 . 0 0 "[ . 1 . ]" 2
2 1 46 VAL MG2 1 124 THR HA 3.884 . 3.884 3.156 3.010 3.244 . 0 0 "[ . 1 . ]" 2
3 1 48 ARG H 1 48 ARG HA 3.772 . 3.772 2.921 2.900 2.929 . 0 0 "[ . 1 . ]" 2
4 1 49 ILE H 1 49 ILE QG 4.354 . 4.354 1.943 1.894 2.061 0.006 6 0 "[ . 1 . ]" 2
5 1 50 ILE H 1 50 ILE MG 4.043 . 4.043 3.462 3.206 3.682 . 0 0 "[ . 1 . ]" 2
6 1 52 GLU H 1 53 ASN QD 5.500 . 5.500 3.723 3.117 4.248 . 0 0 "[ . 1 . ]" 2
7 1 57 PRO QB 1 58 VAL HA 5.500 . 5.500 3.926 3.666 4.126 . 0 0 "[ . 1 . ]" 2
8 1 60 LEU H 1 60 LEU HB3 3.052 . 3.052 2.877 2.472 3.066 0.013 4 0 "[ . 1 . ]" 2
9 1 60 LEU HB3 1 61 ASP H 3.405 . 3.405 3.365 3.215 3.431 0.026 2 0 "[ . 1 . ]" 2
10 1 62 VAL HB 1 63 LEU H 3.120 . 3.120 2.107 1.928 2.503 . 0 0 "[ . 1 . ]" 2
11 1 64 HIS HA 1 67 PHE H 5.500 . 5.500 3.409 3.335 3.493 . 0 0 "[ . 1 . ]" 2
12 1 65 GLN H 1 66 ILE HB 5.241 . 5.241 4.156 4.060 4.331 . 0 0 "[ . 1 . ]" 2
13 1 66 ILE H 1 66 ILE MG 3.707 . 3.707 2.342 1.910 2.792 . 0 0 "[ . 1 . ]" 2
14 1 66 ILE MG 1 67 PHE H 3.923 . 3.923 2.195 1.941 2.345 . 0 0 "[ . 1 . ]" 2
15 1 66 ILE H 1 104 LEU QD 5.301 . 5.301 4.510 4.230 4.858 . 0 0 "[ . 1 . ]" 2
16 1 65 GLN H 1 66 ILE H 2.733 . 2.733 2.462 2.419 2.547 . 0 0 "[ . 1 . ]" 2
17 1 64 HIS HA 1 66 ILE H 3.308 . 3.308 2.786 2.770 2.809 . 0 0 "[ . 1 . ]" 2
18 1 67 PHE H 1 67 PHE HA 3.418 . 3.418 2.718 2.690 2.754 . 0 0 "[ . 1 . ]" 2
19 1 64 HIS HA 1 67 PHE H 4.560 . 4.560 3.297 3.210 3.359 . 0 0 "[ . 1 . ]" 2
20 1 63 LEU QD 1 67 PHE H 5.278 . 5.278 3.856 3.573 4.172 . 0 0 "[ . 1 . ]" 2
21 1 66 ILE HB 1 67 PHE H 3.597 . 3.597 2.355 2.250 2.554 . 0 0 "[ . 1 . ]" 2
22 1 67 PHE HB2 1 71 GLY H 3.978 . 3.978 3.385 3.339 3.429 . 0 0 "[ . 1 . ]" 2
23 1 71 GLY QA 1 72 THR H 3.506 . 3.506 2.175 2.157 2.188 . 0 0 "[ . 1 . ]" 2
24 1 71 GLY QA 1 72 THR H 3.342 . 3.342 2.182 2.161 2.189 . 0 0 "[ . 1 . ]" 2
25 1 71 GLY QA 1 73 VAL H 3.748 . 3.748 3.809 3.764 3.903 0.155 14 0 "[ . 1 . ]" 2
26 1 74 LEU QD 1 75 LYS H 4.324 . 4.324 3.431 3.333 3.587 . 0 0 "[ . 1 . ]" 2
27 1 74 LEU QD 1 75 LYS H 4.318 . 4.318 3.459 3.164 3.756 . 0 0 "[ . 1 . ]" 2
28 1 75 LYS H 1 76 ILE H 3.439 . 3.439 2.886 2.556 3.198 . 0 0 "[ . 1 . ]" 2
29 1 76 ILE H 1 76 ILE HA 4.191 . 4.191 2.824 2.787 2.862 . 0 0 "[ . 1 . ]" 2
30 1 76 ILE H 1 76 ILE HA 3.668 . 3.668 2.679 2.435 2.786 . 0 0 "[ . 1 . ]" 2
31 1 77 ILE MG 1 78 THR HA 4.731 . 4.731 2.557 1.913 3.149 . 0 0 "[ . 1 . ]" 2
32 1 79 PHE H 1 79 PHE HA 3.644 . 3.644 2.365 2.140 2.460 . 0 0 "[ . 1 . ]" 2
33 1 79 PHE H 1 86 GLN HB2 5.500 . 5.500 3.492 3.131 3.704 . 0 0 "[ . 1 . ]" 2
34 1 80 THR H 1 80 THR MG 3.409 . 3.409 3.075 3.048 3.109 . 0 0 "[ . 1 . ]" 2
35 1 51 VAL HB 1 85 PHE H 3.727 . 3.727 3.545 3.400 3.743 0.016 8 0 "[ . 1 . ]" 2
36 1 85 PHE H 1 86 GLN H 4.661 . 4.661 3.897 3.750 4.009 . 0 0 "[ . 1 . ]" 2
37 1 87 ALA H 1 87 ALA HA 2.500 . 2.500 2.115 2.087 2.245 . 0 0 "[ . 1 . ]" 2
38 1 49 ILE HB 1 87 ALA H 3.451 . 3.451 2.886 2.663 3.061 . 0 0 "[ . 1 . ]" 2
39 1 86 GLN HA 1 87 ALA H 2.573 . 2.573 2.178 2.092 2.366 . 0 0 "[ . 1 . ]" 2
40 1 89 LEU QD 1 90 GLN H 3.825 . 3.825 2.469 1.855 3.520 0.045 10 0 "[ . 1 . ]" 2
41 1 88 LEU QB 1 89 LEU H 3.998 . 3.998 2.408 2.302 2.679 . 0 0 "[ . 1 . ]" 2
42 1 89 LEU HG 1 90 GLN H 3.950 . 3.950 3.776 3.035 4.024 0.074 10 0 "[ . 1 . ]" 2
43 1 75 LYS QB 1 90 GLN H 3.327 . 3.327 2.411 2.174 2.624 . 0 0 "[ . 1 . ]" 2
44 1 91 TYR HA 1 92 ALA HA 5.500 . 5.500 3.936 3.922 3.949 . 0 0 "[ . 1 . ]" 2
45 1 91 TYR HA 1 92 ALA MB 4.402 . 4.402 3.665 3.593 3.710 . 0 0 "[ . 1 . ]" 2
46 1 91 TYR HA 1 93 ASP H 3.511 . 3.511 2.850 2.807 2.908 . 0 0 "[ . 1 . ]" 2
47 1 91 TYR QB 1 93 ASP H 3.239 . 3.239 2.138 1.986 2.529 . 0 0 "[ . 1 . ]" 2
48 1 91 TYR QB 1 93 ASP H 3.162 . 3.162 2.209 2.020 2.574 . 0 0 "[ . 1 . ]" 2
49 1 95 VAL HA 1 96 SER H . . 3.215 3.183 3.131 3.230 0.015 9 0 "[ . 1 . ]" 2
50 1 94 PRO HA 1 95 VAL H 3.498 . 3.498 2.686 2.584 2.757 . 0 0 "[ . 1 . ]" 2
51 1 95 VAL H 1 96 SER H 2.683 . 2.683 2.672 2.556 2.703 0.021 4 0 "[ . 1 . ]" 2
52 1 96 SER HA 1 96 SER QB 2.871 . 2.871 2.233 2.135 2.466 . 0 0 "[ . 1 . ]" 2
53 1 96 SER H 1 96 SER HA 3.671 . 3.671 2.832 2.809 2.856 . 0 0 "[ . 1 . ]" 2
54 1 91 TYR QE 1 97 ALA MB 2.500 . 2.500 2.171 2.038 2.249 . 0 0 "[ . 1 . ]" 2
55 1 94 PRO HA 1 97 ALA MB 2.798 . 2.798 2.391 2.263 2.517 . 0 0 "[ . 1 . ]" 2
56 1 91 TYR QB 1 97 ALA H 4.081 . 4.081 2.959 2.660 3.128 . 0 0 "[ . 1 . ]" 2
57 1 96 SER H 1 97 ALA H 2.500 . 2.500 2.182 2.121 2.303 . 0 0 "[ . 1 . ]" 2
58 1 96 SER H 1 97 ALA MB 2.680 . 2.680 2.632 2.454 2.688 0.008 14 0 "[ . 1 . ]" 2
59 1 96 SER H 1 99 HIS HD2 5.402 . 5.402 4.161 3.801 4.471 . 0 0 "[ . 1 . ]" 2
60 1 98 GLN QE 1 101 LYS QD 3.909 . 3.909 3.329 2.814 3.905 . 0 0 "[ . 1 . ]" 2
61 1 96 SER HA 1 99 HIS H 4.467 . 4.467 3.746 3.529 3.846 . 0 0 "[ . 1 . ]" 2
62 1 100 ALA HA 1 101 LYS H 5.500 . 5.500 3.371 3.100 3.446 . 0 0 "[ . 1 . ]" 2
63 1 100 ALA H 1 101 LYS QD 5.096 . 5.096 4.829 4.635 5.050 . 0 0 "[ . 1 . ]" 2
64 1 101 LYS H 1 101 LYS HA 3.456 . 3.456 2.700 2.660 2.755 . 0 0 "[ . 1 . ]" 2
65 1 104 LEU HA 1 107 GLN QB 3.457 . 3.457 2.130 1.886 2.347 0.014 12 0 "[ . 1 . ]" 2
66 1 104 LEU QD 1 107 GLN QB 3.644 . 3.644 2.682 2.148 2.951 . 0 0 "[ . 1 . ]" 2
67 1 102 LEU QD 1 104 LEU H 4.132 . 4.132 3.418 3.131 4.130 . 0 0 "[ . 1 . ]" 2
68 1 100 ALA HA 1 104 LEU H 4.528 . 4.528 3.957 3.357 4.255 . 0 0 "[ . 1 . ]" 2
69 1 101 LYS QG 1 105 ASP H 4.925 . 4.925 3.161 1.885 3.514 0.015 12 0 "[ . 1 . ]" 2
70 1 105 ASP HA 1 106 GLY H 2.500 . 2.500 1.983 1.931 2.090 . 0 0 "[ . 1 . ]" 2
71 1 106 GLY H 1 107 GLN QG 5.269 . 5.269 4.167 3.479 5.268 . 0 0 "[ . 1 . ]" 2
72 1 107 GLN HA 1 107 GLN QB 2.500 . 2.500 2.166 2.072 2.308 . 0 0 "[ . 1 . ]" 2
73 1 107 GLN QB 1 107 GLN QE 3.052 . 3.052 2.082 1.950 2.209 . 0 0 "[ . 1 . ]" 2
74 1 107 GLN QB 1 108 ASN H 3.355 . 3.355 2.477 1.986 3.156 . 0 0 "[ . 1 . ]" 2
75 1 109 ILE MG 1 110 TYR H 4.922 . 4.922 3.197 2.916 3.511 . 0 0 "[ . 1 . ]" 2
76 1 110 TYR H 1 110 TYR HA 3.329 . 3.329 2.685 2.633 2.725 . 0 0 "[ . 1 . ]" 2
77 1 108 ASN QB 1 110 TYR H 3.649 . 3.649 2.669 2.379 3.123 . 0 0 "[ . 1 . ]" 2
78 1 108 ASN QB 1 111 ASN H 5.438 . 5.438 2.466 1.903 3.588 . 0 0 "[ . 1 . ]" 2
79 1 115 THR MG 1 117 ARG HE 5.500 . 5.500 4.224 2.505 5.208 . 0 0 "[ . 1 . ]" 2
80 1 118 ILE H 1 118 ILE HA 2.500 . 2.500 2.149 2.107 2.185 . 0 0 "[ . 1 . ]" 2
81 1 118 ILE H 1 118 ILE MD 4.999 . 4.999 2.802 2.200 3.167 . 0 0 "[ . 1 . ]" 2
82 1 48 ARG HB2 1 119 ASP H 5.500 . 5.500 3.759 3.643 3.962 . 0 0 "[ . 1 . ]" 2
83 1 48 ARG QG 1 119 ASP H 5.500 . 5.500 3.778 3.598 3.998 . 0 0 "[ . 1 . ]" 2
84 1 88 LEU QD 1 125 SER H 3.803 . 3.803 3.788 3.434 3.880 0.077 8 0 "[ . 1 . ]" 2
85 1 130 TYR QD 1 131 ASN H 5.180 . 5.180 4.294 3.864 4.512 . 0 0 "[ . 1 . ]" 2
86 1 128 VAL QG 1 131 ASN QD 5.432 . 5.432 3.136 1.890 4.016 0.010 5 0 "[ . 1 . ]" 2
87 1 132 ASN QD 1 133 ASP H 4.406 . 4.406 3.394 1.890 4.407 0.010 8 0 "[ . 1 . ]" 2
88 1 133 ASP HA 1 134 LYS H 3.693 . 3.693 2.662 2.148 2.752 . 0 0 "[ . 1 . ]" 2
89 1 76 ILE HB 1 135 SER HA 5.500 . 5.500 4.397 3.882 4.685 . 0 0 "[ . 1 . ]" 2
90 1 133 ASP HA 1 135 SER H 3.812 . 3.812 3.286 2.917 3.454 . 0 0 "[ . 1 . ]" 2
91 1 141 PRO HA 1 141 PRO QB 2.663 . 2.663 2.165 2.162 2.169 . 0 0 "[ . 1 . ]" 2
92 1 141 PRO HA 1 144 PRO QD 2.500 . 2.500 2.082 1.998 2.167 . 0 0 "[ . 1 . ]" 2
93 1 128 VAL QG 1 131 ASN H 4.659 . 4.659 4.343 3.661 4.662 0.002 14 0 "[ . 1 . ]" 2
94 1 131 ASN QB 1 147 ASP H 3.151 . 3.151 2.689 2.126 3.082 . 0 0 "[ . 1 . ]" 2
95 1 51 VAL H 1 85 PHE QR 4.272 . 4.272 3.240 2.641 4.284 0.012 9 0 "[ . 1 . ]" 2
96 1 85 PHE QR 1 86 GLN H 4.272 . 4.272 3.618 2.729 4.301 0.028 4 0 "[ . 1 . ]" 2
97 1 43 GLN H 1 43 GLN QB 4.235 . 4.235 2.516 1.968 3.003 . 0 0 "[ . 1 . ]" 2
98 1 49 ILE MD 1 67 PHE QE 3.475 . 3.475 1.978 1.894 2.768 0.006 1 0 "[ . 1 . ]" 2
99 1 50 ILE QG 1 86 GLN QG 3.212 . 3.212 2.680 1.897 3.147 0.003 3 0 "[ . 1 . ]" 2
100 1 50 ILE MG 1 52 GLU H 4.574 . 4.574 4.306 4.098 4.443 . 0 0 "[ . 1 . ]" 2
101 1 50 ILE MG 1 84 GLN QE 5.500 . 5.500 2.957 2.077 4.336 . 0 0 "[ . 1 . ]" 2
102 1 51 VAL QG 1 52 GLU H 3.761 . 3.761 2.330 1.913 2.644 . 0 0 "[ . 1 . ]" 2
103 1 51 VAL QG 1 86 GLN H 5.500 . 5.500 3.906 3.552 4.035 . 0 0 "[ . 1 . ]" 2
104 1 58 VAL QG 1 59 THR H 3.615 . 3.615 2.212 1.896 2.529 0.004 6 0 "[ . 1 . ]" 2
105 1 60 LEU QD 1 78 THR HA 4.607 . 4.607 2.883 2.806 2.930 . 0 0 "[ . 1 . ]" 2
106 1 61 ASP HB3 1 62 VAL QG 5.500 . 5.500 4.317 3.731 5.072 . 0 0 "[ . 1 . ]" 2
107 1 61 ASP HB2 1 62 VAL QG 5.500 . 5.500 3.480 3.057 4.216 . 0 0 "[ . 1 . ]" 2
108 1 63 LEU HA 1 63 LEU QB 3.241 . 3.241 2.183 2.078 2.324 . 0 0 "[ . 1 . ]" 2
109 1 63 LEU HA 1 63 LEU HG 5.500 . 5.500 2.410 2.098 2.674 . 0 0 "[ . 1 . ]" 2
110 1 66 ILE HA 1 67 PHE H 5.500 . 5.500 3.395 3.333 3.471 . 0 0 "[ . 1 . ]" 2
111 1 67 PHE HA 1 67 PHE HB2 3.491 . 3.491 2.804 2.708 2.877 . 0 0 "[ . 1 . ]" 2
112 1 67 PHE H 1 67 PHE QB 3.161 . 3.161 2.166 2.092 2.273 . 0 0 "[ . 1 . ]" 2
113 1 67 PHE QD 1 89 LEU QD 5.002 . 5.002 2.301 2.104 2.495 . 0 0 "[ . 1 . ]" 2
114 1 67 PHE HA 1 70 PHE QD 4.053 . 4.053 2.456 1.908 2.947 . 0 0 "[ . 1 . ]" 2
115 1 66 ILE HA 1 70 PHE QE 4.466 . 4.466 2.159 1.923 2.705 . 0 0 "[ . 1 . ]" 2
116 1 72 THR HA 1 73 VAL HB 4.689 . 4.689 4.214 4.073 4.319 . 0 0 "[ . 1 . ]" 2
117 1 72 THR MG 1 73 VAL HA 5.500 . 5.500 4.352 4.181 4.528 . 0 0 "[ . 1 . ]" 2
118 1 74 LEU QD 1 75 LYS HA 5.500 . 5.500 3.495 3.033 4.077 . 0 0 "[ . 1 . ]" 2
119 1 76 ILE HB 1 126 LEU QB 5.500 . 5.500 2.522 2.073 2.886 . 0 0 "[ . 1 . ]" 2
120 1 66 ILE MG 1 76 ILE MD 5.500 . 5.500 4.296 4.047 4.521 . 0 0 "[ . 1 . ]" 2
121 1 76 ILE H 1 76 ILE MD 5.500 . 5.500 4.314 4.176 4.475 . 0 0 "[ . 1 . ]" 2
122 1 76 ILE HB 1 126 LEU QD 4.160 . 4.160 3.243 2.932 3.635 . 0 0 "[ . 1 . ]" 2
123 1 77 ILE MD 1 88 LEU H 5.500 . 5.500 3.728 2.435 4.426 . 0 0 "[ . 1 . ]" 2
124 1 77 ILE QG 1 126 LEU QD 3.788 . 3.788 2.018 1.852 2.766 0.048 16 0 "[ . 1 . ]" 2
125 1 77 ILE H 1 77 ILE QG 5.500 . 5.500 2.579 2.150 2.910 . 0 0 "[ . 1 . ]" 2
126 1 77 ILE MG 1 78 THR HA 3.262 . 3.262 2.906 2.292 3.220 . 0 0 "[ . 1 . ]" 2
127 1 60 LEU QD 1 78 THR HB 4.542 . 4.542 3.579 3.281 3.807 . 0 0 "[ . 1 . ]" 2
128 1 78 THR HB 1 87 ALA H 5.500 . 5.500 5.128 4.563 5.479 . 0 0 "[ . 1 . ]" 2
129 1 60 LEU HB2 1 78 THR MG 4.690 . 4.690 3.827 3.551 4.017 . 0 0 "[ . 1 . ]" 2
130 1 80 THR H 1 80 THR HB 3.752 . 3.752 3.137 3.008 3.186 . 0 0 "[ . 1 . ]" 2
131 1 51 VAL HB 1 85 PHE QR 3.785 . 3.785 2.462 1.900 2.897 0.000 15 0 "[ . 1 . ]" 2
132 1 51 VAL HB 1 85 PHE QD 2.946 . 2.946 2.510 1.903 2.916 . 0 0 "[ . 1 . ]" 2
133 1 80 THR HA 1 85 PHE QD 5.500 . 5.500 3.652 3.016 4.083 . 0 0 "[ . 1 . ]" 2
134 1 85 PHE QR 1 86 GLN HA 5.500 . 5.500 3.902 3.002 5.445 . 0 0 "[ . 1 . ]" 2
135 1 79 PHE QE 1 88 LEU HG 3.658 . 3.658 2.561 1.951 3.602 . 0 0 "[ . 1 . ]" 2
136 1 49 ILE QG 1 89 LEU QB 3.788 . 3.788 2.132 1.853 2.973 0.047 15 0 "[ . 1 . ]" 2
137 1 67 PHE QE 1 89 LEU QD 3.710 . 3.710 2.809 2.264 3.011 . 0 0 "[ . 1 . ]" 2
138 1 76 ILE HA 1 89 LEU QD 5.500 . 5.500 3.107 2.669 3.827 . 0 0 "[ . 1 . ]" 2
139 1 73 VAL HB 1 89 LEU QD 4.596 . 4.596 2.749 1.891 3.208 0.009 10 0 "[ . 1 . ]" 2
140 1 46 VAL HB 1 90 GLN HA 4.081 . 4.081 2.534 2.342 2.656 . 0 0 "[ . 1 . ]" 2
141 1 47 LEU QD 1 90 GLN HA 5.500 . 5.500 3.034 2.548 3.370 . 0 0 "[ . 1 . ]" 2
142 1 90 GLN H 1 90 GLN QG 4.147 . 4.147 2.717 2.026 3.168 . 0 0 "[ . 1 . ]" 2
143 1 72 THR HA 1 91 TYR QD 5.500 . 5.500 4.278 4.181 4.348 . 0 0 "[ . 1 . ]" 2
144 1 47 LEU QB 1 91 TYR QE 2.715 . 2.715 2.467 1.894 2.722 0.007 4 0 "[ . 1 . ]" 2
145 1 70 PHE HB3 1 91 TYR QE 4.900 . 4.900 3.360 3.109 3.661 . 0 0 "[ . 1 . ]" 2
146 1 71 GLY QA 1 91 TYR QE 5.500 . 5.500 2.768 2.319 2.960 . 0 0 "[ . 1 . ]" 2
147 1 70 PHE HB2 1 91 TYR QE 3.979 . 3.979 3.112 2.998 3.301 . 0 0 "[ . 1 . ]" 2
148 1 45 PRO QB 1 93 ASP HA 4.899 . 4.899 3.365 3.203 3.709 . 0 0 "[ . 1 . ]" 2
149 1 45 PRO QG 1 93 ASP HA 5.500 . 5.500 2.811 2.399 3.344 . 0 0 "[ . 1 . ]" 2
150 1 45 PRO QD 1 93 ASP HA 2.500 . 2.500 1.929 1.871 2.001 0.029 4 0 "[ . 1 . ]" 2
151 1 43 GLN QE 1 94 PRO HA 5.500 . 5.500 5.098 3.529 5.502 0.002 12 0 "[ . 1 . ]" 2
152 1 94 PRO HA 1 96 SER H 5.500 . 5.500 3.634 3.440 3.712 . 0 0 "[ . 1 . ]" 2
153 1 91 TYR QE 1 96 SER QB 4.106 . 4.106 2.946 2.630 3.180 . 0 0 "[ . 1 . ]" 2
154 1 45 PRO QB 1 97 ALA MB 2.500 . 2.500 2.512 2.503 2.523 0.023 5 0 "[ . 1 . ]" 2
155 1 98 GLN HA 1 101 LYS QD 4.697 . 4.697 3.436 3.218 3.735 . 0 0 "[ . 1 . ]" 2
156 1 98 GLN HA 1 98 GLN QE 3.026 . 3.026 2.444 1.913 2.895 . 0 0 "[ . 1 . ]" 2
157 1 94 PRO QB 1 98 GLN QB 4.525 . 4.525 4.487 4.387 4.532 0.007 14 0 "[ . 1 . ]" 2
158 1 98 GLN QB 1 98 GLN QE 4.274 . 4.274 2.325 1.897 3.407 0.003 10 0 "[ . 1 . ]" 2
159 1 94 PRO HA 1 98 GLN QG 4.051 . 4.051 2.474 2.179 2.817 . 0 0 "[ . 1 . ]" 2
160 1 99 HIS HA 1 101 LYS QD 3.777 . 3.777 2.474 2.141 2.722 . 0 0 "[ . 1 . ]" 2
161 1 99 HIS HA 1 102 LEU HB2 3.953 . 3.953 3.220 2.656 3.874 . 0 0 "[ . 1 . ]" 2
162 1 101 LYS HA 1 101 LYS QE 5.500 . 5.500 3.848 2.981 4.060 . 0 0 "[ . 1 . ]" 2
163 1 47 LEU QD 1 101 LYS HB2 4.638 . 4.638 2.354 1.900 3.322 . 0 0 "[ . 1 . ]" 2
164 1 46 VAL MG1 1 90 GLN QB 4.830 . 4.830 2.883 2.496 3.353 . 0 0 "[ . 1 . ]" 2
165 1 70 PHE QE 1 103 SER QB 2.610 . 2.610 2.022 1.890 2.465 0.010 15 0 "[ . 1 . ]" 2
166 1 100 ALA HA 1 104 LEU QD 3.160 . 3.160 2.810 2.138 3.163 0.003 8 0 "[ . 1 . ]" 2
167 1 67 PHE HA 1 104 LEU QD 4.345 . 4.345 2.318 1.917 2.441 . 0 0 "[ . 1 . ]" 2
168 1 70 PHE QE 1 104 LEU QD 2.590 . 2.590 1.925 1.893 2.115 0.007 15 0 "[ . 1 . ]" 2
169 1 105 ASP HA 1 107 GLN QG 5.500 . 5.500 4.797 4.413 5.502 0.002 2 0 "[ . 1 . ]" 2
170 1 105 ASP HA 1 118 ILE MD 3.364 . 3.364 2.542 1.909 2.759 . 0 0 "[ . 1 . ]" 2
171 1 104 LEU H 1 105 ASP QB 4.662 . 4.662 3.685 3.324 4.127 . 0 0 "[ . 1 . ]" 2
172 1 107 GLN QB 1 109 ILE QG 4.147 . 4.147 3.229 2.709 4.108 . 0 0 "[ . 1 . ]" 2
173 1 104 LEU HA 1 107 GLN QG 2.500 . 2.500 2.198 1.915 2.504 0.004 2 0 "[ . 1 . ]" 2
174 1 108 ASN QB 1 109 ILE H 5.500 . 5.500 2.221 1.897 2.639 0.003 10 0 "[ . 1 . ]" 2
175 1 109 ILE HA 1 109 ILE QG 3.586 . 3.586 2.599 2.402 3.035 . 0 0 "[ . 1 . ]" 2
176 1 109 ILE H 1 109 ILE MD 4.606 . 4.606 3.668 3.220 3.866 . 0 0 "[ . 1 . ]" 2
177 1 57 PRO QG 1 109 ILE MD 5.500 . 5.500 4.505 3.521 5.125 . 0 0 "[ . 1 . ]" 2
178 1 58 VAL QG 1 110 TYR QD 4.891 . 4.891 3.506 3.052 3.790 . 0 0 "[ . 1 . ]" 2
179 1 58 VAL QG 1 110 TYR QD 4.776 . 4.776 3.358 3.069 3.514 . 0 0 "[ . 1 . ]" 2
180 1 55 PHE QB 1 113 CYS HA 2.988 . 2.988 2.360 2.157 2.526 . 0 0 "[ . 1 . ]" 2
181 1 53 ASN HB2 1 113 CYS HA 4.725 . 4.725 4.007 3.178 4.595 . 0 0 "[ . 1 . ]" 2
182 1 53 ASN HB2 1 113 CYS QB 3.363 . 3.363 2.706 1.895 3.101 0.005 4 0 "[ . 1 . ]" 2
183 1 55 PHE QB 1 114 CYS HA 5.500 . 5.500 3.653 3.261 4.102 . 0 0 "[ . 1 . ]" 2
184 1 53 ASN HB2 1 114 CYS HA 5.500 . 5.500 3.561 3.104 4.053 . 0 0 "[ . 1 . ]" 2
185 1 51 VAL QG 1 114 CYS HA 2.652 . 2.652 2.634 2.511 2.664 0.012 8 0 "[ . 1 . ]" 2
186 1 107 GLN QG 1 115 THR MG 5.500 . 5.500 4.351 3.734 4.630 . 0 0 "[ . 1 . ]" 2
187 1 115 THR HA 1 115 THR MG 3.185 . 3.185 2.234 2.061 2.376 . 0 0 "[ . 1 . ]" 2
188 1 49 ILE MD 1 116 LEU QB 5.500 . 5.500 4.187 3.735 4.436 . 0 0 "[ . 1 . ]" 2
189 1 52 GLU H 1 116 LEU MD1 4.229 . 4.229 3.648 2.982 4.130 . 0 0 "[ . 1 . ]" 2
190 1 51 VAL HA 1 116 LEU MD1 4.801 . 4.801 3.911 3.340 4.308 . 0 0 "[ . 1 . ]" 2
191 1 50 ILE MG 1 117 ARG QB 4.431 . 4.431 3.463 3.268 3.876 . 0 0 "[ . 1 . ]" 2
192 1 50 ILE H 1 117 ARG QD 5.500 . 5.500 3.564 2.378 4.856 . 0 0 "[ . 1 . ]" 2
193 1 101 LYS HA 1 118 ILE HB 4.956 . 4.956 2.959 2.498 3.322 . 0 0 "[ . 1 . ]" 2
194 1 105 ASP HA 1 118 ILE HB 4.970 . 4.970 3.348 2.728 3.726 . 0 0 "[ . 1 . ]" 2
195 1 118 ILE H 1 118 ILE HB 3.952 . 3.952 2.546 2.405 2.683 . 0 0 "[ . 1 . ]" 2
196 1 101 LYS HA 1 118 ILE MD 3.687 . 3.687 2.979 2.349 3.692 0.005 9 0 "[ . 1 . ]" 2
197 1 101 LYS H 1 118 ILE MD 5.500 . 5.500 3.415 3.116 4.162 . 0 0 "[ . 1 . ]" 2
198 1 105 ASP HA 1 118 ILE MD 3.836 . 3.836 2.560 1.912 2.798 . 0 0 "[ . 1 . ]" 2
199 1 105 ASP QB 1 118 ILE MD 5.500 . 5.500 3.582 2.841 3.749 . 0 0 "[ . 1 . ]" 2
200 1 50 ILE H 1 118 ILE MD 5.500 . 5.500 3.410 2.756 4.086 . 0 0 "[ . 1 . ]" 2
201 1 107 GLN QG 1 118 ILE MD 4.864 . 4.864 3.507 2.631 4.045 . 0 0 "[ . 1 . ]" 2
202 1 67 PHE QE 1 118 ILE MD 2.750 . 2.750 2.196 1.894 2.757 0.007 14 0 "[ . 1 . ]" 2
203 1 101 LYS QE 1 118 ILE MD 4.691 . 4.691 3.627 2.876 3.768 . 0 0 "[ . 1 . ]" 2
204 1 101 LYS H 1 118 ILE MG 4.860 . 4.860 4.049 3.531 4.342 . 0 0 "[ . 1 . ]" 2
205 1 105 ASP HA 1 118 ILE MG 5.500 . 5.500 4.751 4.199 5.005 . 0 0 "[ . 1 . ]" 2
206 1 47 LEU HA 1 118 ILE MG 2.889 . 2.889 2.327 2.214 2.422 . 0 0 "[ . 1 . ]" 2
207 1 118 ILE H 1 118 ILE MG 2.800 . 2.800 2.157 1.935 2.399 . 0 0 "[ . 1 . ]" 2
208 1 48 ARG H 1 118 ILE MG 4.404 . 4.404 2.953 2.475 3.650 . 0 0 "[ . 1 . ]" 2
209 1 101 LYS QE 1 120 PHE QD 4.648 . 4.648 3.207 2.046 4.205 . 0 0 "[ . 1 . ]" 2
210 1 47 LEU HA 1 120 PHE QD 5.500 . 5.500 3.980 3.533 4.367 . 0 0 "[ . 1 . ]" 2
211 1 98 GLN HA 1 120 PHE QD 5.500 . 5.500 5.147 4.730 5.394 . 0 0 "[ . 1 . ]" 2
212 1 101 LYS QD 1 120 PHE QE 5.500 . 5.500 3.421 2.737 4.098 . 0 0 "[ . 1 . ]" 2
213 1 101 LYS QE 1 120 PHE QE 4.451 . 4.451 3.685 1.958 4.411 . 0 0 "[ . 1 . ]" 2
214 1 98 GLN HA 1 120 PHE QE 3.489 . 3.489 3.294 2.648 3.498 0.009 14 0 "[ . 1 . ]" 2
215 1 101 LYS QD 1 120 PHE HZ 5.500 . 5.500 5.051 4.177 5.503 0.003 10 0 "[ . 1 . ]" 2
216 1 94 PRO HA 1 120 PHE HZ 3.078 . 3.078 2.916 2.573 3.085 0.008 3 0 "[ . 1 . ]" 2
217 1 48 ARG HB3 1 121 SER QB 5.500 . 5.500 4.182 3.974 4.413 . 0 0 "[ . 1 . ]" 2
218 1 123 LEU H 1 123 LEU QB 3.890 . 3.890 2.351 2.045 2.663 . 0 0 "[ . 1 . ]" 2
219 1 122 LYS HA 1 124 THR H 2.815 . 2.815 2.919 2.857 3.001 0.186 8 0 "[ . 1 . ]" 2
220 1 122 LYS H 1 123 LEU QD 4.147 . 4.147 3.475 2.616 4.148 0.000 4 0 "[ . 1 . ]" 2
221 1 123 LEU H 1 123 LEU HG 3.739 . 3.739 3.284 1.895 3.801 0.062 8 0 "[ . 1 . ]" 2
222 1 46 VAL MG1 1 124 THR HA 5.500 . 5.500 4.150 3.806 4.411 . 0 0 "[ . 1 . ]" 2
223 1 46 VAL H 1 124 THR HA 5.500 . 5.500 4.424 4.166 4.553 . 0 0 "[ . 1 . ]" 2
224 1 46 VAL MG1 1 124 THR HB 5.500 . 5.500 5.498 5.468 5.524 0.024 16 0 "[ . 1 . ]" 2
225 1 66 ILE HA 1 129 LYS QE 5.500 . 5.500 5.500 5.426 5.532 0.032 5 0 "[ . 1 . ]" 2
226 1 77 ILE HA 1 126 LEU QD 4.801 . 4.801 2.855 2.019 3.323 . 0 0 "[ . 1 . ]" 2
227 1 46 VAL HB 1 126 LEU QD 5.500 . 5.500 3.324 3.006 3.726 . 0 0 "[ . 1 . ]" 2
228 1 78 THR H 1 126 LEU QD 5.500 . 5.500 2.454 1.898 3.616 0.002 14 0 "[ . 1 . ]" 2
229 1 76 ILE HA 1 126 LEU QD 4.663 . 4.663 2.739 2.281 3.026 . 0 0 "[ . 1 . ]" 2
230 1 76 ILE H 1 126 LEU QD 3.939 . 3.939 2.671 1.900 2.973 0.000 15 0 "[ . 1 . ]" 2
231 1 130 TYR HB2 1 136 ARG HA 5.500 . 5.500 4.703 3.619 5.311 . 0 0 "[ . 1 . ]" 2
232 1 131 ASN QB 1 134 LYS HB3 5.500 . 5.500 5.427 4.989 5.509 0.009 16 0 "[ . 1 . ]" 2
233 1 132 ASN QB 1 133 ASP H 5.500 . 5.500 2.548 1.994 3.351 . 0 0 "[ . 1 . ]" 2
234 1 60 LEU QD 1 135 SER HA 2.878 . 2.878 2.871 2.790 2.898 0.020 4 0 "[ . 1 . ]" 2
235 1 77 ILE QG 1 135 SER QB 3.195 . 3.195 2.435 1.893 3.179 0.007 16 0 "[ . 1 . ]" 2
236 1 136 ARG H 1 136 ARG QD 5.500 . 5.500 3.058 2.080 3.777 . 0 0 "[ . 1 . ]" 2
237 1 136 ARG H 1 136 ARG QG 3.788 . 3.788 2.966 2.248 3.425 . 0 0 "[ . 1 . ]" 2
238 1 131 ASN QD 1 137 ASP HA 5.500 . 5.500 4.080 3.635 4.542 . 0 0 "[ . 1 . ]" 2
239 1 128 VAL QG 1 137 ASP HA 4.264 . 4.264 2.779 2.441 3.308 . 0 0 "[ . 1 . ]" 2
240 1 128 VAL HB 1 137 ASP QB 3.934 . 3.934 3.343 2.215 3.679 . 0 0 "[ . 1 . ]" 2
241 1 128 VAL QG 1 137 ASP QB 3.028 . 3.028 1.963 1.877 2.296 0.023 15 0 "[ . 1 . ]" 2
242 1 64 HIS HB2 1 138 TYR QE 4.838 . 4.838 2.901 1.898 3.232 0.002 14 0 "[ . 1 . ]" 2
243 1 64 HIS HD1 1 138 TYR QE 4.470 . 4.470 2.536 1.959 2.874 . 0 0 "[ . 1 . ]" 2
244 1 76 ILE QG 1 138 TYR QE 3.128 . 3.128 1.907 1.890 1.966 0.010 15 0 "[ . 1 . ]" 2
245 1 75 LYS QB 1 139 THR MG 5.500 . 5.500 2.927 2.403 4.176 . 0 0 "[ . 1 . ]" 2
246 1 74 LEU QD 1 139 THR MG 5.500 . 5.500 3.865 2.749 4.572 . 0 0 "[ . 1 . ]" 2
247 1 75 LYS QE 1 139 THR MG 5.500 . 5.500 2.398 1.900 3.648 0.000 15 0 "[ . 1 . ]" 2
248 1 128 VAL QG 1 140 ARG QG 4.435 . 4.435 2.992 1.892 4.075 0.008 3 0 "[ . 1 . ]" 2
249 1 140 ARG QB 1 141 PRO QD 5.500 . 5.500 3.135 2.712 3.504 . 0 0 "[ . 1 . ]" 2
250 1 130 TYR QD 1 144 PRO QB 5.500 . 5.500 3.907 3.399 4.478 . 0 0 "[ . 1 . ]" 2
251 1 130 TYR QD 1 144 PRO QG 3.426 . 3.426 2.918 2.277 3.429 0.002 5 0 "[ . 1 . ]" 2
252 1 130 TYR HB2 1 145 SER HA 5.500 . 5.500 4.769 3.626 5.419 . 0 0 "[ . 1 . ]" 2
253 1 75 LYS QE 1 145 SER HA 5.500 . 5.500 3.549 2.729 4.150 . 0 0 "[ . 1 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 66
_Distance_constraint_stats_list.Viol_count 162
_Distance_constraint_stats_list.Viol_total 17.573
_Distance_constraint_stats_list.Viol_max 0.031
_Distance_constraint_stats_list.Viol_rms 0.0035
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0068
_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 47 LEU 0.002 0.001 10 0 "[ . 1 . ]"
1 48 ARG 0.252 0.029 3 0 "[ . 1 . ]"
1 49 ILE 0.153 0.021 10 0 "[ . 1 . ]"
1 50 ILE 0.002 0.002 1 0 "[ . 1 . ]"
1 51 VAL 0.024 0.011 16 0 "[ . 1 . ]"
1 52 GLU 0.002 0.002 8 0 "[ . 1 . ]"
1 59 THR 0.169 0.022 6 0 "[ . 1 . ]"
1 60 LEU 0.118 0.031 9 0 "[ . 1 . ]"
1 61 ASP 0.018 0.006 9 0 "[ . 1 . ]"
1 62 VAL 0.013 0.005 15 0 "[ . 1 . ]"
1 63 LEU 0.169 0.022 6 0 "[ . 1 . ]"
1 64 HIS 0.149 0.031 9 0 "[ . 1 . ]"
1 65 GLN 0.018 0.006 9 0 "[ . 1 . ]"
1 66 ILE 0.013 0.005 15 0 "[ . 1 . ]"
1 67 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 68 SER 0.032 0.011 3 0 "[ . 1 . ]"
1 74 LEU 0.033 0.008 10 0 "[ . 1 . ]"
1 75 LYS 0.080 0.015 10 0 "[ . 1 . ]"
1 76 ILE 0.028 0.011 15 0 "[ . 1 . ]"
1 77 ILE 0.019 0.011 5 0 "[ . 1 . ]"
1 78 THR 0.005 0.005 4 0 "[ . 1 . ]"
1 79 PHE 0.012 0.012 3 0 "[ . 1 . ]"
1 85 PHE 0.024 0.011 16 0 "[ . 1 . ]"
1 86 GLN 0.012 0.012 3 0 "[ . 1 . ]"
1 87 ALA 0.153 0.021 10 0 "[ . 1 . ]"
1 88 LEU 0.019 0.011 5 0 "[ . 1 . ]"
1 89 LEU 0.002 0.001 10 0 "[ . 1 . ]"
1 90 GLN 0.080 0.015 10 0 "[ . 1 . ]"
1 94 PRO 0.007 0.005 3 0 "[ . 1 . ]"
1 95 VAL 0.025 0.007 15 0 "[ . 1 . ]"
1 96 SER 0.004 0.004 5 0 "[ . 1 . ]"
1 97 ALA 0.001 0.001 9 0 "[ . 1 . ]"
1 98 GLN 0.078 0.011 15 0 "[ . 1 . ]"
1 99 HIS 0.038 0.007 15 0 "[ . 1 . ]"
1 100 ALA 0.006 0.004 5 0 "[ . 1 . ]"
1 101 LYS 0.016 0.006 10 0 "[ . 1 . ]"
1 102 LEU 0.071 0.011 15 0 "[ . 1 . ]"
1 103 SER 0.013 0.007 15 0 "[ . 1 . ]"
1 104 LEU 0.002 0.001 15 0 "[ . 1 . ]"
1 105 ASP 0.015 0.006 10 0 "[ . 1 . ]"
1 115 THR 0.002 0.002 8 0 "[ . 1 . ]"
1 117 ARG 0.002 0.002 1 0 "[ . 1 . ]"
1 119 ASP 0.252 0.029 3 0 "[ . 1 . ]"
1 134 LYS 0.005 0.005 4 0 "[ . 1 . ]"
1 136 ARG 0.028 0.011 15 0 "[ . 1 . ]"
1 138 TYR 0.033 0.008 10 0 "[ . 1 . ]"
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 47 LEU H 1 89 LEU O 2.300 . 2.500 2.170 1.852 2.497 . 0 0 "[ . 1 . ]" 3
2 1 47 LEU N 1 89 LEU O 3.300 2.500 3.500 2.954 2.701 3.195 . 0 0 "[ . 1 . ]" 3
3 1 48 ARG H 1 119 ASP O 2.300 . 2.500 1.786 1.771 1.799 0.029 3 0 "[ . 1 . ]" 3
4 1 48 ARG N 1 119 ASP O 3.300 2.500 3.500 2.588 2.496 2.727 0.004 8 0 "[ . 1 . ]" 3
5 1 49 ILE H 1 87 ALA O 2.300 . 2.500 1.812 1.779 2.066 0.021 10 0 "[ . 1 . ]" 3
6 1 49 ILE N 1 87 ALA O 3.300 2.500 3.500 2.641 2.496 2.770 0.004 14 0 "[ . 1 . ]" 3
7 1 50 ILE H 1 117 ARG O 2.300 . 2.500 2.193 1.826 2.500 0.000 16 0 "[ . 1 . ]" 3
8 1 50 ILE N 1 117 ARG O 3.300 2.500 3.500 2.883 2.578 3.279 . 0 0 "[ . 1 . ]" 3
9 1 51 VAL H 1 85 PHE O 2.300 . 2.500 2.376 2.145 2.511 0.011 16 0 "[ . 1 . ]" 3
10 1 51 VAL N 1 85 PHE O 3.300 2.500 3.500 3.201 3.004 3.471 . 0 0 "[ . 1 . ]" 3
11 1 52 GLU H 1 115 THR O 2.300 . 2.500 2.131 1.841 2.502 0.002 8 0 "[ . 1 . ]" 3
12 1 52 GLU N 1 115 THR O 3.300 2.500 3.500 2.974 2.685 3.333 . 0 0 "[ . 1 . ]" 3
13 1 59 THR O 1 63 LEU H 2.300 . 2.500 2.503 2.382 2.522 0.022 6 0 "[ . 1 . ]" 3
14 1 59 THR O 1 63 LEU N 3.300 2.500 3.500 3.456 3.359 3.490 . 0 0 "[ . 1 . ]" 3
15 1 60 LEU O 1 64 HIS H 2.300 . 2.500 1.833 1.769 2.055 0.031 9 0 "[ . 1 . ]" 3
16 1 60 LEU O 1 64 HIS N 3.300 2.500 3.500 2.764 2.574 2.961 . 0 0 "[ . 1 . ]" 3
17 1 61 ASP O 1 65 GLN H 2.300 . 2.500 2.387 2.022 2.506 0.006 9 0 "[ . 1 . ]" 3
18 1 61 ASP O 1 65 GLN N 3.300 2.500 3.500 3.336 2.984 3.480 . 0 0 "[ . 1 . ]" 3
19 1 62 VAL O 1 66 ILE H 2.300 . 2.500 2.276 1.953 2.505 0.005 15 0 "[ . 1 . ]" 3
20 1 62 VAL O 1 66 ILE N 3.300 2.500 3.500 2.978 2.576 3.168 . 0 0 "[ . 1 . ]" 3
21 1 63 LEU O 1 67 PHE H 2.300 . 2.500 2.288 1.981 2.464 . 0 0 "[ . 1 . ]" 3
22 1 63 LEU O 1 67 PHE N 3.300 2.500 3.500 3.259 2.944 3.436 . 0 0 "[ . 1 . ]" 3
23 1 64 HIS O 1 68 SER H 2.300 . 2.500 1.838 1.789 1.958 0.011 3 0 "[ . 1 . ]" 3
24 1 64 HIS O 1 68 SER N 3.300 2.500 3.500 2.654 2.574 2.800 . 0 0 "[ . 1 . ]" 3
25 1 76 ILE H 1 136 ARG O 2.300 . 2.500 1.929 1.789 2.505 0.011 15 0 "[ . 1 . ]" 3
26 1 76 ILE N 1 136 ARG O 3.300 2.500 3.500 2.744 2.530 3.098 . 0 0 "[ . 1 . ]" 3
27 1 77 ILE H 1 88 LEU O 2.300 . 2.500 2.137 1.823 2.511 0.011 5 0 "[ . 1 . ]" 3
28 1 77 ILE N 1 88 LEU O 3.300 2.500 3.500 3.026 2.715 3.457 . 0 0 "[ . 1 . ]" 3
29 1 78 THR H 1 134 LYS O 2.300 . 2.500 2.010 1.795 2.404 0.005 4 0 "[ . 1 . ]" 3
30 1 78 THR N 1 134 LYS O 3.300 2.500 3.500 2.864 2.657 3.339 . 0 0 "[ . 1 . ]" 3
31 1 79 PHE H 1 86 GLN O 2.300 . 2.500 2.198 1.871 2.446 . 0 0 "[ . 1 . ]" 3
32 1 79 PHE N 1 86 GLN O 3.300 2.500 3.500 3.020 2.776 3.361 . 0 0 "[ . 1 . ]" 3
33 1 79 PHE O 1 86 GLN H 2.300 . 2.500 1.941 1.788 2.296 0.012 3 0 "[ . 1 . ]" 3
34 1 79 PHE O 1 86 GLN N 3.300 2.500 3.500 2.828 2.645 2.948 . 0 0 "[ . 1 . ]" 3
35 1 49 ILE O 1 87 ALA H 2.300 . 2.500 1.897 1.783 2.121 0.017 15 0 "[ . 1 . ]" 3
36 1 49 ILE O 1 87 ALA N 3.300 2.500 3.500 2.823 2.684 3.036 . 0 0 "[ . 1 . ]" 3
37 1 77 ILE O 1 88 LEU H 2.300 . 2.500 2.065 1.797 2.505 0.005 9 0 "[ . 1 . ]" 3
38 1 77 ILE O 1 88 LEU N 3.300 2.500 3.500 2.837 2.610 3.170 . 0 0 "[ . 1 . ]" 3
39 1 47 LEU O 1 89 LEU H 2.300 . 2.500 2.043 1.799 2.267 0.001 10 0 "[ . 1 . ]" 3
40 1 47 LEU O 1 89 LEU N 3.300 2.500 3.500 2.883 2.502 3.223 . 0 0 "[ . 1 . ]" 3
41 1 75 LYS O 1 90 GLN H 2.300 . 2.500 2.485 2.206 2.515 0.015 10 0 "[ . 1 . ]" 3
42 1 75 LYS O 1 90 GLN N 3.300 2.500 3.500 3.358 3.148 3.461 . 0 0 "[ . 1 . ]" 3
43 1 94 PRO O 1 98 GLN H 2.300 . 2.500 1.906 1.795 2.096 0.005 3 0 "[ . 1 . ]" 3
44 1 94 PRO O 1 98 GLN N 3.300 2.500 3.500 2.814 2.701 2.997 . 0 0 "[ . 1 . ]" 3
45 1 95 VAL O 1 99 HIS H 2.300 . 2.500 2.499 2.485 2.507 0.007 15 0 "[ . 1 . ]" 3
46 1 95 VAL O 1 99 HIS N 3.300 2.500 3.500 3.471 3.446 3.484 . 0 0 "[ . 1 . ]" 3
47 1 96 SER O 1 100 ALA H 2.300 . 2.500 2.237 1.824 2.504 0.004 5 0 "[ . 1 . ]" 3
48 1 96 SER O 1 100 ALA N 3.300 2.500 3.500 3.095 2.750 3.362 . 0 0 "[ . 1 . ]" 3
49 1 97 ALA O 1 101 LYS H 2.300 . 2.500 2.093 1.822 2.501 0.001 9 0 "[ . 1 . ]" 3
50 1 97 ALA O 1 101 LYS N 3.300 2.500 3.500 2.975 2.691 3.333 . 0 0 "[ . 1 . ]" 3
51 1 98 GLN O 1 102 LEU H 2.300 . 2.500 2.499 2.454 2.511 0.011 15 0 "[ . 1 . ]" 3
52 1 98 GLN O 1 102 LEU N 3.300 2.500 3.500 3.445 3.391 3.483 . 0 0 "[ . 1 . ]" 3
53 1 99 HIS O 1 103 SER H 2.300 . 2.500 1.880 1.793 2.109 0.007 15 0 "[ . 1 . ]" 3
54 1 99 HIS O 1 103 SER N 3.300 2.500 3.500 2.700 2.618 2.801 . 0 0 "[ . 1 . ]" 3
55 1 100 ALA O 1 104 LEU H 2.300 . 2.500 2.230 1.799 2.501 0.001 15 0 "[ . 1 . ]" 3
56 1 100 ALA O 1 104 LEU N 3.300 2.500 3.500 2.885 2.671 3.106 . 0 0 "[ . 1 . ]" 3
57 1 101 LYS O 1 105 ASP H 2.300 . 2.500 2.296 1.925 2.506 0.006 10 0 "[ . 1 . ]" 3
58 1 101 LYS O 1 105 ASP N 3.300 2.500 3.500 2.653 2.497 2.938 0.003 14 0 "[ . 1 . ]" 3
59 1 50 ILE O 1 117 ARG H 2.300 . 2.500 2.061 1.798 2.495 0.002 1 0 "[ . 1 . ]" 3
60 1 50 ILE O 1 117 ARG N 3.300 2.500 3.500 2.952 2.697 3.433 . 0 0 "[ . 1 . ]" 3
61 1 48 ARG O 1 119 ASP H 2.300 . 2.500 2.450 2.216 2.507 0.007 5 0 "[ . 1 . ]" 3
62 1 48 ARG O 1 119 ASP N 3.300 2.500 3.500 3.173 3.056 3.334 . 0 0 "[ . 1 . ]" 3
63 1 76 ILE O 1 136 ARG H 2.300 . 2.500 1.914 1.796 2.252 0.004 15 0 "[ . 1 . ]" 3
64 1 76 ILE O 1 136 ARG N 3.300 2.500 3.500 2.723 2.531 2.918 . 0 0 "[ . 1 . ]" 3
65 1 74 LEU O 1 138 TYR H 2.300 . 2.500 1.961 1.792 2.501 0.008 10 0 "[ . 1 . ]" 3
66 1 74 LEU O 1 138 TYR N 3.300 2.500 3.500 2.755 2.496 3.432 0.004 6 0 "[ . 1 . ]" 3
stop_
save_
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