NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
518824 |
2lgh   |
17809 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lgh
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 1567
_Distance_constraint_stats_list.Viol_count 522
_Distance_constraint_stats_list.Viol_total 730.157
_Distance_constraint_stats_list.Viol_max 0.385
_Distance_constraint_stats_list.Viol_rms 0.0122
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0699
_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 1 MET 1.081 0.155 15 0 "[ . 1 . 2]"
1 2 LYS 1.348 0.155 15 0 "[ . 1 . 2]"
1 3 ILE 0.020 0.020 7 0 "[ . 1 . 2]"
1 4 SER 0.397 0.096 17 0 "[ . 1 . 2]"
1 5 ILE 0.264 0.138 2 0 "[ . 1 . 2]"
1 6 GLU 0.059 0.036 15 0 "[ . 1 . 2]"
1 7 ALA 0.711 0.133 14 0 "[ . 1 . 2]"
1 8 HIS 0.133 0.133 14 0 "[ . 1 . 2]"
1 9 ILE 0.472 0.097 4 0 "[ . 1 . 2]"
1 10 GLU 0.743 0.164 16 0 "[ . 1 . 2]"
1 11 GLN 1.095 0.312 9 0 "[ . 1 . 2]"
1 12 GLU 0.242 0.071 17 0 "[ . 1 . 2]"
1 13 ILE 0.363 0.113 11 0 "[ . 1 . 2]"
1 14 GLU 0.107 0.107 19 0 "[ . 1 . 2]"
1 15 ALA 1.130 0.282 12 0 "[ . 1 . 2]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TRP 0.150 0.059 10 0 "[ . 1 . 2]"
1 18 TRP 1.961 0.282 12 0 "[ . 1 . 2]"
1 19 ALA 0.861 0.240 6 0 "[ . 1 . 2]"
1 20 TRP 0.521 0.111 16 0 "[ . 1 . 2]"
1 21 ASN 0.220 0.099 1 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 4 0 "[ . 1 . 2]"
1 23 PRO 0.574 0.197 4 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 CYS 0.340 0.234 18 0 "[ . 1 . 2]"
1 26 ILE 0.785 0.197 4 0 "[ . 1 . 2]"
1 27 ALA 0.210 0.136 18 0 "[ . 1 . 2]"
1 28 ARG 0.340 0.234 18 0 "[ . 1 . 2]"
1 29 TRP 0.325 0.155 12 0 "[ . 1 . 2]"
1 30 ASN 0.379 0.155 12 0 "[ . 1 . 2]"
1 31 ALA 0.198 0.097 19 0 "[ . 1 . 2]"
1 32 ALA 0.366 0.193 14 0 "[ . 1 . 2]"
1 33 SER 0.247 0.087 20 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 0.086 0.086 17 0 "[ . 1 . 2]"
1 36 TRP 1.155 0.261 5 0 "[ . 1 . 2]"
1 37 HIS 0.914 0.261 5 0 "[ . 1 . 2]"
1 38 THR 0.616 0.181 18 0 "[ . 1 . 2]"
1 39 THR 0.081 0.081 13 0 "[ . 1 . 2]"
1 40 GLY 0.181 0.181 18 0 "[ . 1 . 2]"
1 41 SER 0.010 0.010 18 0 "[ . 1 . 2]"
1 42 ARG 0.140 0.127 5 0 "[ . 1 . 2]"
1 43 VAL 0.489 0.127 5 0 "[ . 1 . 2]"
1 44 ASP 0.565 0.177 14 0 "[ . 1 . 2]"
1 45 LEU 0.229 0.099 1 0 "[ . 1 . 2]"
1 46 VAL 0.220 0.123 9 0 "[ . 1 . 2]"
1 47 VAL 0.476 0.089 1 0 "[ . 1 . 2]"
1 48 GLY 0.083 0.059 4 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 10 0 "[ . 1 . 2]"
1 50 ARG 1.289 0.385 13 0 "[ . 1 . 2]"
1 51 PHE 0.389 0.177 14 0 "[ . 1 . 2]"
1 52 CYS 0.249 0.162 9 0 "[ . 1 . 2]"
1 53 HIS 1.073 0.142 6 0 "[ . 1 . 2]"
1 54 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 MET 0.325 0.097 19 0 "[ . 1 . 2]"
1 56 ALA 0.227 0.081 13 0 "[ . 1 . 2]"
1 57 ALA 1.254 0.218 2 0 "[ . 1 . 2]"
1 58 LYS 1.020 0.258 16 0 "[ . 1 . 2]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 0.261 0.080 11 0 "[ . 1 . 2]"
1 61 SER 1.359 0.218 2 0 "[ . 1 . 2]"
1 62 ALA 0.068 0.068 11 0 "[ . 1 . 2]"
1 63 GLY 0.028 0.028 20 0 "[ . 1 . 2]"
1 64 PHE 0.066 0.038 9 0 "[ . 1 . 2]"
1 65 ASP 0.068 0.038 9 0 "[ . 1 . 2]"
1 66 PHE 0.885 0.142 6 0 "[ . 1 . 2]"
1 67 THR 0.250 0.162 9 0 "[ . 1 . 2]"
1 68 GLY 0.007 0.007 14 0 "[ . 1 . 2]"
1 69 THR 0.608 0.180 9 0 "[ . 1 . 2]"
1 70 PHE 0.275 0.076 6 0 "[ . 1 . 2]"
1 71 THR 0.589 0.172 20 0 "[ . 1 . 2]"
1 72 ARG 0.917 0.189 19 0 "[ . 1 . 2]"
1 73 VAL 0.531 0.189 19 0 "[ . 1 . 2]"
1 74 GLU 0.055 0.043 18 0 "[ . 1 . 2]"
1 75 ALA 0.062 0.043 18 0 "[ . 1 . 2]"
1 76 PRO 0.000 0.000 17 0 "[ . 1 . 2]"
1 77 THR 2.000 0.204 16 0 "[ . 1 . 2]"
1 78 ARG 0.253 0.082 4 0 "[ . 1 . 2]"
1 79 LEU 0.620 0.111 16 0 "[ . 1 . 2]"
1 80 SER 0.728 0.112 1 0 "[ . 1 . 2]"
1 81 PHE 1.585 0.192 9 0 "[ . 1 . 2]"
1 82 VAL 0.978 0.172 20 0 "[ . 1 . 2]"
1 83 MET 1.009 0.192 9 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ARG 0.094 0.067 8 0 "[ . 1 . 2]"
1 88 GLU 0.769 0.152 15 0 "[ . 1 . 2]"
1 89 VAL 0.766 0.158 5 0 "[ . 1 . 2]"
1 90 ASP 0.258 0.106 2 0 "[ . 1 . 2]"
1 91 VAL 0.050 0.035 16 0 "[ . 1 . 2]"
1 92 GLN 0.210 0.082 4 0 "[ . 1 . 2]"
1 93 PHE 0.992 0.144 13 0 "[ . 1 . 2]"
1 94 ALA 0.694 0.204 16 0 "[ . 1 . 2]"
1 95 SER 0.163 0.161 16 0 "[ . 1 . 2]"
1 96 GLU 0.740 0.152 18 0 "[ . 1 . 2]"
1 97 PRO 0.423 0.306 14 0 "[ . 1 . 2]"
1 98 GLY 0.125 0.071 16 0 "[ . 1 . 2]"
1 99 GLY 0.760 0.306 14 0 "[ . 1 . 2]"
1 100 THR 0.060 0.031 12 0 "[ . 1 . 2]"
1 101 TRP 1.235 0.143 4 0 "[ . 1 . 2]"
1 102 VAL 0.421 0.143 4 0 "[ . 1 . 2]"
1 103 GLN 0.546 0.136 2 0 "[ . 1 . 2]"
1 104 GLU 0.070 0.035 16 0 "[ . 1 . 2]"
1 105 THR 0.376 0.106 2 0 "[ . 1 . 2]"
1 106 PHE 0.037 0.035 6 0 "[ . 1 . 2]"
1 107 ASP 0.336 0.148 10 0 "[ . 1 . 2]"
1 108 ALA 1.383 0.142 8 0 "[ . 1 . 2]"
1 109 GLU 1.394 0.373 15 0 "[ . 1 . 2]"
1 110 THR 0.710 0.314 19 0 "[ . 1 . 2]"
1 111 SER 0.743 0.373 15 0 "[ . 1 . 2]"
1 112 HIS 1.006 0.314 19 0 "[ . 1 . 2]"
1 113 THR 0.936 0.117 12 0 "[ . 1 . 2]"
1 114 PRO 0.131 0.065 6 0 "[ . 1 . 2]"
1 115 ALA 0.091 0.062 1 0 "[ . 1 . 2]"
1 116 GLN 0.851 0.121 16 0 "[ . 1 . 2]"
1 117 GLN 1.011 0.241 10 0 "[ . 1 . 2]"
1 118 GLN 0.618 0.138 2 0 "[ . 1 . 2]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 TRP 0.085 0.085 3 0 "[ . 1 . 2]"
1 122 GLN 0.787 0.133 14 0 "[ . 1 . 2]"
1 123 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ILE 0.676 0.193 14 0 "[ . 1 . 2]"
1 125 LEU 0.282 0.108 12 0 "[ . 1 . 2]"
1 126 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ASN 0.224 0.109 8 0 "[ . 1 . 2]"
1 128 PHE 0.375 0.141 13 0 "[ . 1 . 2]"
1 129 LYS 0.308 0.097 4 0 "[ . 1 . 2]"
1 130 ARG 0.230 0.109 8 0 "[ . 1 . 2]"
1 131 TYR 0.021 0.021 9 0 "[ . 1 . 2]"
1 132 VAL 1.081 0.141 13 0 "[ . 1 . 2]"
1 133 GLU 1.042 0.312 9 0 "[ . 1 . 2]"
1 134 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 ALA 0.005 0.005 18 0 "[ . 1 . 2]"
1 136 GLY 0.090 0.056 13 0 "[ . 1 . 2]"
1 137 LEU 1.974 0.270 13 0 "[ . 1 . 2]"
1 138 GLU 1.536 0.256 13 0 "[ . 1 . 2]"
1 143 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET QG 1.800 . 3.740 2.802 2.495 3.417 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 108 ALA MB 1.800 . 6.050 4.919 4.544 5.466 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 2 LYS QG 1.800 . 5.570 3.946 3.611 4.206 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HA 1 2 LYS H 1.800 . 3.420 2.210 2.130 2.347 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET QB 1 1 MET ME 1.800 . 4.330 3.238 1.936 3.769 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET QB 1 108 ALA MB 1.800 . 3.670 2.985 2.216 3.762 0.092 16 0 "[ . 1 . 2]" 1
7 1 1 MET QB 1 108 ALA H 1.800 . 4.990 3.760 3.074 4.781 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET QB 1 2 LYS H 1.800 . 4.310 3.648 2.620 4.025 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET ME 1 108 ALA MB 1.800 . 3.860 3.187 2.021 3.956 0.096 15 0 "[ . 1 . 2]" 1
10 1 1 MET ME 1 114 PRO QG 1.800 . 4.480 2.887 2.148 4.545 0.065 6 0 "[ . 1 . 2]" 1
11 1 1 MET ME 1 2 LYS H 1.800 . 5.610 4.699 3.370 5.614 0.004 4 0 "[ . 1 . 2]" 1
12 1 1 MET ME 1 3 ILE MD 1.800 . 4.080 2.872 2.074 3.649 . 0 0 "[ . 1 . 2]" 1
13 1 1 MET ME 1 3 ILE QG 1.800 . 4.360 2.495 1.814 3.944 . 0 0 "[ . 1 . 2]" 1
14 1 1 MET ME 1 1 MET QG 1.800 . 3.370 2.304 2.226 2.501 . 0 0 "[ . 1 . 2]" 1
15 1 1 MET QG 1 108 ALA MB 1.800 . 3.670 2.765 1.806 3.667 . 0 0 "[ . 1 . 2]" 1
16 1 1 MET QG 1 3 ILE MD 1.800 . 5.080 3.955 3.168 5.076 . 0 0 "[ . 1 . 2]" 1
17 1 1 MET HG3 1 2 LYS H 1.800 . 4.800 3.721 3.019 4.805 0.005 14 0 "[ . 1 . 2]" 1
18 1 1 MET HG2 1 2 LYS H 1.800 . 4.800 3.952 2.934 4.955 0.155 15 0 "[ . 1 . 2]" 1
19 1 2 LYS HA 1 108 ALA MB 1.800 . 4.220 3.781 2.812 4.334 0.114 20 0 "[ . 1 . 2]" 1
20 1 2 LYS HA 1 108 ALA H 1.800 . 3.330 2.872 1.836 3.472 0.142 8 0 "[ . 1 . 2]" 1
21 1 2 LYS HA 1 2 LYS QD 1.800 . 5.610 4.098 2.145 4.618 . 0 0 "[ . 1 . 2]" 1
22 1 2 LYS HA 1 3 ILE H 1.800 . 3.120 2.193 2.096 2.382 . 0 0 "[ . 1 . 2]" 1
23 1 2 LYS QB 1 105 THR MG 1.800 . 3.990 2.267 1.967 3.140 . 0 0 "[ . 1 . 2]" 1
24 1 2 LYS QB 1 3 ILE H 1.800 . 3.790 3.106 2.458 3.584 . 0 0 "[ . 1 . 2]" 1
25 1 2 LYS QD 1 105 THR MG 1.800 . 3.340 2.433 1.997 3.434 0.094 17 0 "[ . 1 . 2]" 1
26 1 2 LYS QD 1 107 ASP HA 1.800 . 5.870 4.659 2.456 5.985 0.115 18 0 "[ . 1 . 2]" 1
27 1 2 LYS QG 1 107 ASP HA 1.800 . 5.090 3.577 1.939 4.985 . 0 0 "[ . 1 . 2]" 1
28 1 2 LYS QE 1 2 LYS QG 1.800 . 3.300 2.407 2.165 2.849 . 0 0 "[ . 1 . 2]" 1
29 1 2 LYS QG 1 3 ILE H 1.800 . 4.760 4.171 3.563 4.629 . 0 0 "[ . 1 . 2]" 1
30 1 2 LYS H 1 108 ALA MB 1.800 . 5.210 4.860 3.778 5.301 0.091 15 0 "[ . 1 . 2]" 1
31 1 2 LYS H 1 2 LYS QB 1.800 . 3.670 2.738 2.375 3.276 . 0 0 "[ . 1 . 2]" 1
32 1 2 LYS H 1 2 LYS QG 1.800 . 4.400 2.618 1.984 3.148 . 0 0 "[ . 1 . 2]" 1
33 1 3 ILE HA 1 3 ILE MD 1.800 . 4.300 3.927 3.869 3.963 . 0 0 "[ . 1 . 2]" 1
34 1 3 ILE HA 1 3 ILE QG 1.800 . 3.660 2.535 2.452 2.601 . 0 0 "[ . 1 . 2]" 1
35 1 3 ILE HA 1 3 ILE MG 1.800 . 3.530 2.452 2.404 2.527 . 0 0 "[ . 1 . 2]" 1
36 1 3 ILE HA 1 4 SER H 1.800 . 2.890 2.190 2.153 2.250 . 0 0 "[ . 1 . 2]" 1
37 1 3 ILE HB 1 106 PHE QD 1.800 . 5.530 3.740 3.599 3.936 . 0 0 "[ . 1 . 2]" 1
38 1 3 ILE HB 1 106 PHE QE 1.800 . 4.960 2.996 2.765 3.161 . 0 0 "[ . 1 . 2]" 1
39 1 3 ILE HB 1 106 PHE H 1.800 . 4.790 3.884 3.554 4.292 . 0 0 "[ . 1 . 2]" 1
40 1 3 ILE HB 1 4 SER H 1.800 . 4.880 4.183 3.918 4.383 . 0 0 "[ . 1 . 2]" 1
41 1 3 ILE MD 1 106 PHE QD 1.800 . 4.480 4.037 3.608 4.438 . 0 0 "[ . 1 . 2]" 1
42 1 3 ILE MD 1 106 PHE QE 1.800 . 4.310 2.473 1.975 2.933 . 0 0 "[ . 1 . 2]" 1
43 1 3 ILE MD 1 108 ALA HA 1.800 . 4.720 3.898 2.821 4.688 . 0 0 "[ . 1 . 2]" 1
44 1 3 ILE MD 1 108 ALA MB 1.800 . 3.420 2.283 2.106 2.611 . 0 0 "[ . 1 . 2]" 1
45 1 3 ILE MD 1 108 ALA H 1.800 . 5.590 4.601 4.125 5.114 . 0 0 "[ . 1 . 2]" 1
46 1 3 ILE MD 1 114 PRO HA 1.800 . 3.770 2.593 2.070 3.214 . 0 0 "[ . 1 . 2]" 1
47 1 3 ILE MD 1 114 PRO HB3 1.800 . 4.830 2.306 1.816 3.060 . 0 0 "[ . 1 . 2]" 1
48 1 3 ILE MD 1 114 PRO HB2 1.800 . 4.830 3.164 1.923 3.915 . 0 0 "[ . 1 . 2]" 1
49 1 3 ILE MD 1 117 GLN QB 1.800 . 3.560 2.662 2.175 3.184 . 0 0 "[ . 1 . 2]" 1
50 1 3 ILE MD 1 117 GLN QE 1.800 . 6.050 3.875 2.775 5.415 . 0 0 "[ . 1 . 2]" 1
51 1 3 ILE MD 1 117 GLN H 1.800 . 5.030 4.370 3.977 4.763 . 0 0 "[ . 1 . 2]" 1
52 1 3 ILE MD 1 118 GLN HA 1.800 . 5.190 3.508 3.043 4.057 . 0 0 "[ . 1 . 2]" 1
53 1 3 ILE MD 1 118 GLN QB 1.800 . 3.940 2.317 1.835 2.805 . 0 0 "[ . 1 . 2]" 1
54 1 3 ILE MD 1 118 GLN H 1.800 . 4.360 3.117 2.819 3.471 . 0 0 "[ . 1 . 2]" 1
55 1 3 ILE QG 1 108 ALA MB 1.800 . 3.850 2.288 1.974 2.597 . 0 0 "[ . 1 . 2]" 1
56 1 3 ILE QG 1 4 SER H 1.800 . 5.070 4.299 4.158 4.484 . 0 0 "[ . 1 . 2]" 1
57 1 3 ILE MG 1 106 PHE QD 1.800 . 4.710 4.320 4.025 4.521 . 0 0 "[ . 1 . 2]" 1
58 1 3 ILE MG 1 106 PHE QE 1.800 . 4.350 3.038 2.709 3.266 . 0 0 "[ . 1 . 2]" 1
59 1 3 ILE MG 1 106 PHE H 1.800 . 5.190 4.597 4.385 4.784 . 0 0 "[ . 1 . 2]" 1
60 1 3 ILE MG 1 118 GLN HA 1.800 . 4.180 2.981 2.407 3.621 . 0 0 "[ . 1 . 2]" 1
61 1 3 ILE MG 1 118 GLN QB 1.800 . 3.710 2.167 1.879 2.795 . 0 0 "[ . 1 . 2]" 1
62 1 3 ILE MG 1 118 GLN HE21 1.800 . 5.320 3.692 2.093 5.156 . 0 0 "[ . 1 . 2]" 1
63 1 3 ILE MG 1 118 GLN HE22 1.800 . 5.320 4.062 3.268 5.203 . 0 0 "[ . 1 . 2]" 1
64 1 3 ILE MG 1 118 GLN HG3 1.800 . 4.310 2.414 2.164 2.834 . 0 0 "[ . 1 . 2]" 1
65 1 3 ILE MG 1 118 GLN HG2 1.800 . 4.310 3.557 1.780 4.134 0.020 7 0 "[ . 1 . 2]" 1
66 1 3 ILE MG 1 118 GLN H 1.800 . 4.650 4.008 3.660 4.457 . 0 0 "[ . 1 . 2]" 1
67 1 3 ILE MD 1 3 ILE MG 1.800 . 3.440 2.025 1.984 2.063 . 0 0 "[ . 1 . 2]" 1
68 1 3 ILE QG 1 3 ILE MG 1.800 . 3.630 2.399 2.356 2.424 . 0 0 "[ . 1 . 2]" 1
69 1 3 ILE MG 1 4 SER H 1.800 . 3.310 2.750 2.371 3.153 . 0 0 "[ . 1 . 2]" 1
70 1 3 ILE MG 1 5 ILE MG 1.800 . 3.720 2.382 1.955 2.827 . 0 0 "[ . 1 . 2]" 1
71 1 3 ILE H 1 105 THR HA 1.800 . 5.760 4.697 4.210 5.291 . 0 0 "[ . 1 . 2]" 1
72 1 3 ILE H 1 105 THR MG 1.800 . 4.650 3.840 3.416 4.387 . 0 0 "[ . 1 . 2]" 1
73 1 3 ILE H 1 106 PHE QD 1.800 . 5.690 4.221 3.957 4.459 . 0 0 "[ . 1 . 2]" 1
74 1 3 ILE H 1 106 PHE H 1.800 . 4.090 3.250 2.918 3.769 . 0 0 "[ . 1 . 2]" 1
75 1 3 ILE H 1 108 ALA MB 1.800 . 4.530 3.588 2.720 4.305 . 0 0 "[ . 1 . 2]" 1
76 1 3 ILE H 1 3 ILE HB 1.800 . 3.610 2.614 2.514 2.803 . 0 0 "[ . 1 . 2]" 1
77 1 3 ILE H 1 3 ILE MD 1.800 . 4.640 3.898 3.609 4.192 . 0 0 "[ . 1 . 2]" 1
78 1 3 ILE H 1 3 ILE QG 1.800 . 3.920 2.574 2.190 2.977 . 0 0 "[ . 1 . 2]" 1
79 1 3 ILE H 1 3 ILE MG 1.800 . 4.460 3.869 3.812 3.967 . 0 0 "[ . 1 . 2]" 1
80 1 4 SER HA 1 105 THR HA 1.800 . 3.720 2.143 1.875 2.518 . 0 0 "[ . 1 . 2]" 1
81 1 4 SER HA 1 105 THR MG 1.800 . 4.600 3.021 2.376 3.408 . 0 0 "[ . 1 . 2]" 1
82 1 4 SER HA 1 106 PHE H 1.800 . 4.330 3.645 3.094 3.991 . 0 0 "[ . 1 . 2]" 1
83 1 4 SER HA 1 5 ILE H 1.800 . 3.150 2.148 2.099 2.225 . 0 0 "[ . 1 . 2]" 1
84 1 4 SER QB 1 5 ILE H 1.800 . 4.020 3.466 2.770 3.937 . 0 0 "[ . 1 . 2]" 1
85 1 4 SER HB3 1 105 THR MG 1.800 . 4.610 3.596 2.387 4.203 . 0 0 "[ . 1 . 2]" 1
86 1 4 SER HB2 1 105 THR MG 1.800 . 4.610 3.706 2.142 4.634 0.024 4 0 "[ . 1 . 2]" 1
87 1 4 SER H 1 118 GLN QG 1.800 . 5.590 5.440 4.940 5.686 0.096 17 0 "[ . 1 . 2]" 1
88 1 4 SER H 1 4 SER QB 1.800 . 3.370 2.571 2.367 2.961 . 0 0 "[ . 1 . 2]" 1
89 1 4 SER H 1 5 ILE MG 1.800 . 4.700 4.354 3.985 4.684 . 0 0 "[ . 1 . 2]" 1
90 1 4 SER H 1 5 ILE H 1.800 . 5.130 4.326 4.187 4.494 . 0 0 "[ . 1 . 2]" 1
91 1 5 ILE HA 1 5 ILE MD 1.800 . 4.770 4.271 4.253 4.290 . 0 0 "[ . 1 . 2]" 1
92 1 5 ILE HA 1 5 ILE MG 1.800 . 3.440 2.391 2.311 2.450 . 0 0 "[ . 1 . 2]" 1
93 1 5 ILE HA 1 6 GLU H 1.800 . 3.280 2.441 2.232 2.561 . 0 0 "[ . 1 . 2]" 1
94 1 5 ILE HB 1 125 LEU MD2 1.800 . 4.370 3.219 2.807 3.973 . 0 0 "[ . 1 . 2]" 1
95 1 5 ILE HB 1 5 ILE MD 1.800 . 3.610 2.493 2.439 2.568 . 0 0 "[ . 1 . 2]" 1
96 1 5 ILE HB 1 6 GLU H 1.800 . 3.470 2.491 2.199 3.018 . 0 0 "[ . 1 . 2]" 1
97 1 5 ILE MD 1 104 GLU QB 1.800 . 3.860 2.417 2.189 3.035 . 0 0 "[ . 1 . 2]" 1
98 1 5 ILE MD 1 106 PHE QE 1.800 . 4.580 2.398 1.920 3.080 . 0 0 "[ . 1 . 2]" 1
99 1 5 ILE MD 1 121 TRP HA 1.800 . 4.910 4.020 3.773 4.274 . 0 0 "[ . 1 . 2]" 1
100 1 5 ILE MD 1 121 TRP QB 1.800 . 3.490 2.186 1.900 2.657 . 0 0 "[ . 1 . 2]" 1
101 1 5 ILE MD 1 122 GLN HA 1.800 . 3.650 2.205 1.871 3.248 . 0 0 "[ . 1 . 2]" 1
102 1 5 ILE MD 1 122 GLN H 1.800 . 4.410 3.000 2.717 3.513 . 0 0 "[ . 1 . 2]" 1
103 1 5 ILE MD 1 125 LEU QB 1.800 . 3.550 2.568 2.184 3.542 . 0 0 "[ . 1 . 2]" 1
104 1 5 ILE MD 1 125 LEU MD2 1.800 . 3.170 2.432 2.169 3.186 0.016 17 0 "[ . 1 . 2]" 1
105 1 5 ILE MD 1 6 GLU H 1.800 . 4.940 4.347 4.001 4.908 . 0 0 "[ . 1 . 2]" 1
106 1 5 ILE QG 1 104 GLU QB 1.800 . 4.050 2.033 1.858 2.152 . 0 0 "[ . 1 . 2]" 1
107 1 5 ILE QG 1 104 GLU H 1.800 . 4.490 2.775 2.475 3.327 . 0 0 "[ . 1 . 2]" 1
108 1 5 ILE QG 1 6 GLU H 1.800 . 4.710 3.601 3.350 4.076 . 0 0 "[ . 1 . 2]" 1
109 1 5 ILE HG13 1 125 LEU MD2 1.800 . 4.840 2.329 1.946 3.081 . 0 0 "[ . 1 . 2]" 1
110 1 5 ILE HG12 1 125 LEU MD2 1.800 . 4.840 3.710 3.394 4.515 . 0 0 "[ . 1 . 2]" 1
111 1 5 ILE MG 1 106 PHE QE 1.800 . 4.400 2.257 1.798 3.007 0.002 11 0 "[ . 1 . 2]" 1
112 1 5 ILE MG 1 118 GLN HA 1.800 . 4.430 3.082 2.753 3.567 . 0 0 "[ . 1 . 2]" 1
113 1 5 ILE MG 1 118 GLN QB 1.800 . 4.730 3.720 3.522 4.199 . 0 0 "[ . 1 . 2]" 1
114 1 5 ILE MG 1 118 GLN HE21 1.800 . 4.970 3.299 1.871 4.779 . 0 0 "[ . 1 . 2]" 1
115 1 5 ILE MG 1 118 GLN HE22 1.800 . 4.970 4.265 3.154 5.108 0.138 2 0 "[ . 1 . 2]" 1
116 1 5 ILE MG 1 118 GLN HG3 1.800 . 4.070 2.268 1.907 3.967 . 0 0 "[ . 1 . 2]" 1
117 1 5 ILE MG 1 118 GLN HG2 1.800 . 4.070 2.785 2.041 3.088 . 0 0 "[ . 1 . 2]" 1
118 1 5 ILE MG 1 122 GLN HA 1.800 . 4.790 3.784 2.964 4.743 . 0 0 "[ . 1 . 2]" 1
119 1 5 ILE MG 1 122 GLN H 1.800 . 4.710 3.527 2.918 4.381 . 0 0 "[ . 1 . 2]" 1
120 1 5 ILE MD 1 5 ILE MG 1.800 . 3.500 2.038 1.982 2.091 . 0 0 "[ . 1 . 2]" 1
121 1 5 ILE MG 1 6 GLU H 1.800 . 4.130 3.744 3.575 3.861 . 0 0 "[ . 1 . 2]" 1
122 1 5 ILE H 1 104 GLU QB 1.800 . 4.520 3.708 3.183 4.122 . 0 0 "[ . 1 . 2]" 1
123 1 5 ILE H 1 104 GLU H 1.800 . 4.050 3.538 3.137 4.070 0.020 17 0 "[ . 1 . 2]" 1
124 1 5 ILE H 1 105 THR HA 1.800 . 4.300 3.328 2.820 3.722 . 0 0 "[ . 1 . 2]" 1
125 1 5 ILE H 1 5 ILE QG 1.800 . 3.400 2.137 1.996 2.270 . 0 0 "[ . 1 . 2]" 1
126 1 5 ILE H 1 5 ILE MG 1.800 . 4.200 2.906 2.724 3.140 . 0 0 "[ . 1 . 2]" 1
127 1 6 GLU HA 1 101 TRP HE1 1.800 . 4.850 4.313 3.338 4.799 . 0 0 "[ . 1 . 2]" 1
128 1 6 GLU HA 1 102 VAL HB 1.800 . 6.050 4.722 4.333 5.146 . 0 0 "[ . 1 . 2]" 1
129 1 6 GLU HA 1 103 GLN HA 1.800 . 3.770 2.195 1.940 2.684 . 0 0 "[ . 1 . 2]" 1
130 1 6 GLU HA 1 103 GLN QG 1.800 . 5.870 3.637 2.859 5.074 . 0 0 "[ . 1 . 2]" 1
131 1 6 GLU HA 1 104 GLU H 1.800 . 4.190 3.188 2.599 3.835 . 0 0 "[ . 1 . 2]" 1
132 1 6 GLU HA 1 125 LEU MD2 1.800 . 4.430 2.917 2.383 3.559 . 0 0 "[ . 1 . 2]" 1
133 1 6 GLU HA 1 7 ALA H 1.800 . 3.120 2.376 2.285 2.468 . 0 0 "[ . 1 . 2]" 1
134 1 6 GLU QB 1 101 TRP HD1 1.800 . 4.220 3.091 2.224 3.648 . 0 0 "[ . 1 . 2]" 1
135 1 6 GLU HB3 1 101 TRP HE1 1.800 . 3.780 2.861 1.786 3.696 0.014 12 0 "[ . 1 . 2]" 1
136 1 6 GLU HB3 1 7 ALA H 1.800 . 4.520 3.599 2.521 3.947 . 0 0 "[ . 1 . 2]" 1
137 1 6 GLU HB2 1 101 TRP HE1 1.800 . 3.780 2.132 1.764 3.394 0.036 15 0 "[ . 1 . 2]" 1
138 1 6 GLU HB2 1 7 ALA H 1.800 . 4.520 2.543 2.160 3.871 . 0 0 "[ . 1 . 2]" 1
139 1 6 GLU QG 1 101 TRP HE1 1.800 . 4.750 3.033 2.225 3.695 . 0 0 "[ . 1 . 2]" 1
140 1 6 GLU QG 1 7 ALA H 1.800 . 5.180 3.739 3.337 4.374 . 0 0 "[ . 1 . 2]" 1
141 1 6 GLU H 1 122 GLN QE 1.800 . 4.810 3.287 1.807 4.497 . 0 0 "[ . 1 . 2]" 1
142 1 6 GLU H 1 125 LEU MD2 1.800 . 4.760 3.542 3.150 4.231 . 0 0 "[ . 1 . 2]" 1
143 1 6 GLU H 1 6 GLU QG 1.800 . 3.860 2.625 2.310 3.752 . 0 0 "[ . 1 . 2]" 1
144 1 7 ALA HA 1 8 HIS H 1.800 . 3.070 2.230 2.182 2.404 . 0 0 "[ . 1 . 2]" 1
145 1 7 ALA MB 1 102 VAL MG2 1.800 . 3.980 3.704 3.103 4.000 0.020 20 0 "[ . 1 . 2]" 1
146 1 7 ALA MB 1 102 VAL H 1.800 . 4.880 3.832 3.495 4.425 . 0 0 "[ . 1 . 2]" 1
147 1 7 ALA MB 1 122 GLN HE21 1.800 . 4.800 4.205 2.645 4.910 0.110 9 0 "[ . 1 . 2]" 1
148 1 7 ALA MB 1 122 GLN HE22 1.800 . 4.800 3.295 1.728 4.933 0.133 14 0 "[ . 1 . 2]" 1
149 1 7 ALA MB 1 125 LEU MD2 1.800 . 3.400 2.410 2.074 2.678 . 0 0 "[ . 1 . 2]" 1
150 1 7 ALA MB 1 125 LEU HG 1.800 . 4.020 2.309 2.038 3.213 . 0 0 "[ . 1 . 2]" 1
151 1 7 ALA MB 1 129 LYS QD 1.800 . 4.400 2.502 1.828 4.261 . 0 0 "[ . 1 . 2]" 1
152 1 7 ALA MB 1 8 HIS H 1.800 . 3.730 3.137 2.528 3.430 . 0 0 "[ . 1 . 2]" 1
153 1 7 ALA MB 1 9 ILE MD 1.800 . 4.150 3.350 2.587 3.995 . 0 0 "[ . 1 . 2]" 1
154 1 7 ALA MB 1 9 ILE QG 1.800 . 4.230 2.924 2.332 3.548 . 0 0 "[ . 1 . 2]" 1
155 1 7 ALA H 1 101 TRP HA 1.800 . 5.730 4.315 3.994 4.837 . 0 0 "[ . 1 . 2]" 1
156 1 7 ALA H 1 101 TRP HD1 1.800 . 4.470 3.271 2.774 4.010 . 0 0 "[ . 1 . 2]" 1
157 1 7 ALA H 1 101 TRP HE1 1.800 . 5.080 3.853 3.319 4.494 . 0 0 "[ . 1 . 2]" 1
158 1 7 ALA H 1 102 VAL HB 1.800 . 3.880 3.560 3.143 3.922 0.042 3 0 "[ . 1 . 2]" 1
159 1 7 ALA H 1 102 VAL MG1 1.800 . 4.600 4.431 4.135 4.643 0.043 15 0 "[ . 1 . 2]" 1
160 1 7 ALA H 1 102 VAL MG2 1.800 . 5.140 4.666 4.414 4.987 . 0 0 "[ . 1 . 2]" 1
161 1 7 ALA H 1 102 VAL H 1.800 . 3.980 3.320 2.903 3.714 . 0 0 "[ . 1 . 2]" 1
162 1 7 ALA H 1 103 GLN HA 1.800 . 4.550 3.761 3.366 4.055 . 0 0 "[ . 1 . 2]" 1
163 1 7 ALA H 1 125 LEU MD1 1.800 . 5.520 4.748 4.090 5.514 . 0 0 "[ . 1 . 2]" 1
164 1 7 ALA H 1 125 LEU MD2 1.800 . 4.660 3.379 2.981 3.962 . 0 0 "[ . 1 . 2]" 1
165 1 7 ALA H 1 7 ALA MB 1.800 . 3.640 2.790 2.651 2.880 . 0 0 "[ . 1 . 2]" 1
166 1 8 HIS HA 1 9 ILE QG 1.800 . 5.870 3.782 3.184 4.178 . 0 0 "[ . 1 . 2]" 1
167 1 8 HIS HA 1 9 ILE H 1.800 . 3.450 2.204 2.070 2.350 . 0 0 "[ . 1 . 2]" 1
168 1 8 HIS H 1 8 HIS QB 1.800 . 3.510 2.549 2.303 2.954 . 0 0 "[ . 1 . 2]" 1
169 1 8 HIS H 1 8 HIS HD2 1.800 . 5.200 3.758 2.126 5.333 0.133 14 0 "[ . 1 . 2]" 1
170 1 9 ILE HA 1 10 GLU H 1.800 . 3.540 2.219 2.167 2.283 . 0 0 "[ . 1 . 2]" 1
171 1 9 ILE HA 1 11 GLN H 1.800 . 4.990 4.752 4.452 5.004 0.014 10 0 "[ . 1 . 2]" 1
172 1 9 ILE HA 1 9 ILE MD 1.800 . 4.420 3.897 3.833 3.992 . 0 0 "[ . 1 . 2]" 1
173 1 9 ILE HA 1 9 ILE HG13 1.800 . 4.350 3.223 3.116 3.338 . 0 0 "[ . 1 . 2]" 1
174 1 9 ILE HA 1 9 ILE HG12 1.800 . 4.350 2.640 2.541 2.787 . 0 0 "[ . 1 . 2]" 1
175 1 9 ILE HA 1 9 ILE MG 1.800 . 3.660 2.423 2.370 2.481 . 0 0 "[ . 1 . 2]" 1
176 1 9 ILE HB 1 100 THR HB 1.800 . 4.330 2.919 2.599 3.809 . 0 0 "[ . 1 . 2]" 1
177 1 9 ILE HB 1 100 THR H 1.800 . 4.420 3.735 3.304 4.069 . 0 0 "[ . 1 . 2]" 1
178 1 9 ILE HB 1 11 GLN H 1.800 . 4.860 3.988 3.396 4.477 . 0 0 "[ . 1 . 2]" 1
179 1 9 ILE HB 1 16 VAL MG2 1.800 . 4.290 2.671 2.315 2.998 . 0 0 "[ . 1 . 2]" 1
180 1 9 ILE MD 1 100 THR HB 1.800 . 4.970 4.069 3.427 4.599 . 0 0 "[ . 1 . 2]" 1
181 1 9 ILE MD 1 102 VAL MG1 1.800 . 4.650 3.514 2.994 4.052 . 0 0 "[ . 1 . 2]" 1
182 1 9 ILE MD 1 102 VAL MG2 1.800 . 3.890 2.111 1.776 2.543 0.024 12 0 "[ . 1 . 2]" 1
183 1 9 ILE MD 1 102 VAL H 1.800 . 6.050 4.526 3.920 4.940 . 0 0 "[ . 1 . 2]" 1
184 1 9 ILE MD 1 128 PHE QD 1.800 . 4.460 2.575 2.174 3.092 . 0 0 "[ . 1 . 2]" 1
185 1 9 ILE MD 1 128 PHE QE 1.800 . 4.000 2.466 2.265 2.753 . 0 0 "[ . 1 . 2]" 1
186 1 9 ILE MD 1 129 LYS HA 1.800 . 3.870 2.317 2.200 2.609 . 0 0 "[ . 1 . 2]" 1
187 1 9 ILE MD 1 129 LYS QB 1.800 . 4.470 2.914 2.302 3.339 . 0 0 "[ . 1 . 2]" 1
188 1 9 ILE MD 1 129 LYS QD 1.800 . 5.870 4.301 3.604 5.077 . 0 0 "[ . 1 . 2]" 1
189 1 9 ILE MD 1 129 LYS H 1.800 . 6.050 3.765 3.403 4.037 . 0 0 "[ . 1 . 2]" 1
190 1 9 ILE MD 1 132 VAL MG1 1.800 . 4.390 3.333 2.706 4.001 . 0 0 "[ . 1 . 2]" 1
191 1 9 ILE MD 1 132 VAL MG2 1.800 . 3.940 2.643 2.105 3.253 . 0 0 "[ . 1 . 2]" 1
192 1 9 ILE MD 1 16 VAL MG1 1.800 . 4.060 2.157 1.872 2.491 . 0 0 "[ . 1 . 2]" 1
193 1 9 ILE MD 1 93 PHE QE 1.800 . 5.310 4.415 4.012 4.831 . 0 0 "[ . 1 . 2]" 1
194 1 9 ILE QG 1 102 VAL MG2 1.800 . 3.730 2.722 2.418 3.041 . 0 0 "[ . 1 . 2]" 1
195 1 9 ILE QG 1 129 LYS HA 1.800 . 5.160 2.644 2.030 3.511 . 0 0 "[ . 1 . 2]" 1
196 1 9 ILE QG 1 129 LYS HB3 1.800 . 5.600 3.864 2.295 4.426 . 0 0 "[ . 1 . 2]" 1
197 1 9 ILE QG 1 129 LYS HB2 1.800 . 5.600 2.632 2.143 3.451 . 0 0 "[ . 1 . 2]" 1
198 1 9 ILE QG 1 129 LYS QD 1.800 . 5.130 3.160 2.209 4.003 . 0 0 "[ . 1 . 2]" 1
199 1 9 ILE QG 1 129 LYS QG 1.800 . 5.840 2.105 1.733 4.030 0.067 20 0 "[ . 1 . 2]" 1
200 1 9 ILE QG 1 129 LYS H 1.800 . 6.050 4.467 3.925 5.140 . 0 0 "[ . 1 . 2]" 1
201 1 9 ILE HG13 1 129 LYS QB 1.800 . 5.140 3.688 3.355 4.303 . 0 0 "[ . 1 . 2]" 1
202 1 9 ILE HG12 1 129 LYS QB 1.800 . 5.140 2.640 2.105 3.476 . 0 0 "[ . 1 . 2]" 1
203 1 9 ILE MG 1 10 GLU H 1.800 . 3.850 2.890 2.573 3.222 . 0 0 "[ . 1 . 2]" 1
204 1 9 ILE MG 1 100 THR H 1.800 . 5.540 4.534 4.292 4.772 . 0 0 "[ . 1 . 2]" 1
205 1 9 ILE MG 1 11 GLN HA 1.800 . 4.790 4.299 4.076 4.724 . 0 0 "[ . 1 . 2]" 1
206 1 9 ILE MG 1 11 GLN QB 1.800 . 3.370 2.072 1.904 2.487 . 0 0 "[ . 1 . 2]" 1
207 1 9 ILE MG 1 11 GLN QE 1.800 . 5.680 4.746 3.455 5.474 . 0 0 "[ . 1 . 2]" 1
208 1 9 ILE MG 1 11 GLN QG 1.800 . 4.990 3.460 3.164 3.940 . 0 0 "[ . 1 . 2]" 1
209 1 9 ILE MG 1 11 GLN H 1.800 . 3.600 3.247 2.805 3.634 0.034 10 0 "[ . 1 . 2]" 1
210 1 9 ILE MG 1 129 LYS HA 1.800 . 4.050 3.042 2.440 3.677 . 0 0 "[ . 1 . 2]" 1
211 1 9 ILE MG 1 129 LYS QG 1.800 . 4.400 2.961 1.880 4.497 0.097 4 0 "[ . 1 . 2]" 1
212 1 9 ILE MG 1 132 VAL HB 1.800 . 4.140 2.503 2.243 2.880 . 0 0 "[ . 1 . 2]" 1
213 1 9 ILE MG 1 132 VAL MG1 1.800 . 3.290 2.232 1.885 2.958 . 0 0 "[ . 1 . 2]" 1
214 1 9 ILE MG 1 133 GLU HA 1.800 . 5.240 4.354 3.565 5.287 0.047 3 0 "[ . 1 . 2]" 1
215 1 9 ILE MG 1 133 GLU QG 1.800 . 3.870 2.559 1.920 3.944 0.074 12 0 "[ . 1 . 2]" 1
216 1 9 ILE MG 1 133 GLU H 1.800 . 4.880 3.869 3.206 4.519 . 0 0 "[ . 1 . 2]" 1
217 1 9 ILE MD 1 9 ILE MG 1.800 . 3.820 2.014 1.986 2.062 . 0 0 "[ . 1 . 2]" 1
218 1 9 ILE H 1 101 TRP HA 1.800 . 4.840 3.570 3.138 4.016 . 0 0 "[ . 1 . 2]" 1
219 1 9 ILE H 1 102 VAL H 1.800 . 5.360 3.596 3.212 3.875 . 0 0 "[ . 1 . 2]" 1
220 1 9 ILE H 1 9 ILE HB 1.800 . 3.940 2.601 2.505 2.727 . 0 0 "[ . 1 . 2]" 1
221 1 9 ILE H 1 9 ILE MD 1.800 . 4.820 3.795 3.628 4.032 . 0 0 "[ . 1 . 2]" 1
222 1 9 ILE H 1 9 ILE HG13 1.800 . 4.860 2.337 2.034 2.730 . 0 0 "[ . 1 . 2]" 1
223 1 9 ILE H 1 9 ILE HG12 1.800 . 4.860 3.472 3.163 3.817 . 0 0 "[ . 1 . 2]" 1
224 1 10 GLU HA 1 10 GLU HG3 1.800 . 4.160 3.163 2.476 3.909 . 0 0 "[ . 1 . 2]" 1
225 1 10 GLU HA 1 10 GLU HG2 1.800 . 4.160 3.227 2.492 3.804 . 0 0 "[ . 1 . 2]" 1
226 1 10 GLU HA 1 100 THR H 1.800 . 4.360 3.602 3.228 4.113 . 0 0 "[ . 1 . 2]" 1
227 1 10 GLU HA 1 11 GLN H 1.800 . 3.230 2.323 2.186 2.517 . 0 0 "[ . 1 . 2]" 1
228 1 10 GLU HA 1 99 GLY HA3 1.800 . 3.690 2.323 1.948 3.130 . 0 0 "[ . 1 . 2]" 1
229 1 10 GLU HA 1 99 GLY HA2 1.800 . 3.690 3.020 1.718 3.740 0.082 7 0 "[ . 1 . 2]" 1
230 1 10 GLU QB 1 11 GLN HA 1.800 . 5.720 4.652 4.450 5.016 . 0 0 "[ . 1 . 2]" 1
231 1 10 GLU QB 1 11 GLN H 1.800 . 4.460 3.916 3.791 4.043 . 0 0 "[ . 1 . 2]" 1
232 1 10 GLU H 1 10 GLU QB 1.800 . 3.700 2.470 2.262 2.802 . 0 0 "[ . 1 . 2]" 1
233 1 10 GLU H 1 10 GLU QG 1.800 . 3.850 2.855 1.871 4.014 0.164 16 0 "[ . 1 . 2]" 1
234 1 10 GLU H 1 11 GLN H 1.800 . 4.760 3.775 3.514 3.981 . 0 0 "[ . 1 . 2]" 1
235 1 10 GLU H 1 133 GLU QG 1.800 . 4.460 3.455 2.330 4.464 0.004 1 0 "[ . 1 . 2]" 1
236 1 11 GLN HA 1 11 GLN QE 1.800 . 5.290 3.589 2.061 4.304 . 0 0 "[ . 1 . 2]" 1
237 1 11 GLN HA 1 12 GLU QB 1.800 . 5.870 4.563 4.138 4.837 . 0 0 "[ . 1 . 2]" 1
238 1 11 GLN HA 1 12 GLU H 1.800 . 3.270 2.385 2.299 2.486 . 0 0 "[ . 1 . 2]" 1
239 1 11 GLN QB 1 11 GLN HE21 1.800 . 5.260 3.168 1.872 4.053 . 0 0 "[ . 1 . 2]" 1
240 1 11 GLN QB 1 12 GLU H 1.800 . 3.900 3.373 2.673 3.554 . 0 0 "[ . 1 . 2]" 1
241 1 11 GLN QB 1 132 VAL MG1 1.800 . 3.390 2.431 2.005 2.968 . 0 0 "[ . 1 . 2]" 1
242 1 11 GLN QB 1 133 GLU HA 1.800 . 5.120 4.372 3.402 5.214 0.094 12 0 "[ . 1 . 2]" 1
243 1 11 GLN QB 1 16 VAL MG2 1.800 . 3.360 2.291 1.974 2.633 . 0 0 "[ . 1 . 2]" 1
244 1 11 GLN QE 1 133 GLU HA 1.800 . 5.530 4.727 3.095 5.842 0.312 9 0 "[ . 1 . 2]" 1
245 1 11 GLN QE 1 137 LEU MD1 1.800 . 5.050 3.511 1.862 5.071 0.021 2 0 "[ . 1 . 2]" 1
246 1 11 GLN QE 1 137 LEU MD2 1.800 . 6.050 4.382 1.859 5.835 . 0 0 "[ . 1 . 2]" 1
247 1 11 GLN QE 1 15 ALA MB 1.800 . 5.360 3.043 1.955 4.091 . 0 0 "[ . 1 . 2]" 1
248 1 11 GLN HE21 1 132 VAL MG1 1.800 . 4.770 3.269 1.792 4.627 0.008 4 0 "[ . 1 . 2]" 1
249 1 11 GLN HE21 1 136 GLY QA 1.800 . 6.050 4.635 3.022 5.738 . 0 0 "[ . 1 . 2]" 1
250 1 11 GLN HE22 1 132 VAL MG1 1.800 . 4.770 4.241 2.117 4.854 0.084 2 0 "[ . 1 . 2]" 1
251 1 11 GLN HE22 1 136 GLY QA 1.800 . 6.050 4.331 3.153 5.860 . 0 0 "[ . 1 . 2]" 1
252 1 11 GLN HG3 1 12 GLU H 1.800 . 4.230 2.375 1.803 4.265 0.035 18 0 "[ . 1 . 2]" 1
253 1 11 GLN HG3 1 132 VAL MG1 1.800 . 4.270 3.299 2.112 3.731 . 0 0 "[ . 1 . 2]" 1
254 1 11 GLN HG3 1 132 VAL MG2 1.800 . 5.920 5.414 4.616 5.841 . 0 0 "[ . 1 . 2]" 1
255 1 11 GLN HG3 1 15 ALA MB 1.800 . 3.920 2.130 1.875 3.140 . 0 0 "[ . 1 . 2]" 1
256 1 11 GLN HG3 1 16 VAL MG2 1.800 . 5.190 2.904 2.219 3.892 . 0 0 "[ . 1 . 2]" 1
257 1 11 GLN HG2 1 12 GLU H 1.800 . 4.230 3.752 2.403 4.061 . 0 0 "[ . 1 . 2]" 1
258 1 11 GLN HG2 1 132 VAL MG1 1.800 . 4.270 2.230 1.772 3.855 0.028 6 0 "[ . 1 . 2]" 1
259 1 11 GLN HG2 1 132 VAL MG2 1.800 . 5.920 4.486 3.956 5.854 . 0 0 "[ . 1 . 2]" 1
260 1 11 GLN HG2 1 15 ALA MB 1.800 . 3.920 2.779 2.223 4.073 0.153 18 0 "[ . 1 . 2]" 1
261 1 11 GLN HG2 1 16 VAL MG2 1.800 . 5.190 3.186 2.360 4.658 . 0 0 "[ . 1 . 2]" 1
262 1 11 GLN H 1 100 THR H 1.800 . 3.920 3.185 2.503 3.609 . 0 0 "[ . 1 . 2]" 1
263 1 11 GLN H 1 11 GLN QB 1.800 . 3.850 2.821 2.599 2.956 . 0 0 "[ . 1 . 2]" 1
264 1 11 GLN H 1 12 GLU H 1.800 . 5.160 4.334 4.249 4.425 . 0 0 "[ . 1 . 2]" 1
265 1 11 GLN H 1 99 GLY QA 1.800 . 3.500 2.405 1.798 3.294 0.002 16 0 "[ . 1 . 2]" 1
266 1 12 GLU HA 1 12 GLU QG 1.800 . 3.560 2.787 2.499 3.152 . 0 0 "[ . 1 . 2]" 1
267 1 12 GLU HA 1 13 ILE MG 1.800 . 4.540 3.965 3.631 4.134 . 0 0 "[ . 1 . 2]" 1
268 1 12 GLU HA 1 13 ILE H 1.800 . 3.270 2.249 2.173 2.344 . 0 0 "[ . 1 . 2]" 1
269 1 12 GLU HA 1 14 GLU H 1.800 . 5.050 4.071 3.841 4.292 . 0 0 "[ . 1 . 2]" 1
270 1 12 GLU QB 1 13 ILE H 1.800 . 3.720 3.033 2.722 3.698 . 0 0 "[ . 1 . 2]" 1
271 1 12 GLU QB 1 14 GLU H 1.800 . 4.220 2.901 2.494 4.045 . 0 0 "[ . 1 . 2]" 1
272 1 12 GLU QB 1 15 ALA MB 1.800 . 4.470 2.604 2.211 3.140 . 0 0 "[ . 1 . 2]" 1
273 1 12 GLU HB3 1 15 ALA H 1.800 . 4.680 3.289 2.478 3.829 . 0 0 "[ . 1 . 2]" 1
274 1 12 GLU HB2 1 15 ALA H 1.800 . 4.680 2.983 2.272 4.539 . 0 0 "[ . 1 . 2]" 1
275 1 12 GLU QG 1 13 ILE H 1.800 . 5.030 4.053 2.660 4.741 . 0 0 "[ . 1 . 2]" 1
276 1 12 GLU QG 1 15 ALA MB 1.800 . 4.770 3.824 3.068 4.813 0.043 13 0 "[ . 1 . 2]" 1
277 1 12 GLU QG 1 15 ALA H 1.800 . 4.790 4.244 1.960 4.861 0.071 17 0 "[ . 1 . 2]" 1
278 1 12 GLU H 1 12 GLU QB 1.800 . 3.500 2.419 2.146 2.629 . 0 0 "[ . 1 . 2]" 1
279 1 12 GLU H 1 12 GLU QG 1.800 . 5.000 2.612 1.934 4.009 . 0 0 "[ . 1 . 2]" 1
280 1 12 GLU H 1 132 VAL MG1 1.800 . 5.360 5.071 4.819 5.412 0.052 16 0 "[ . 1 . 2]" 1
281 1 12 GLU H 1 15 ALA MB 1.800 . 4.410 3.125 2.670 3.414 . 0 0 "[ . 1 . 2]" 1
282 1 12 GLU H 1 16 VAL MG2 1.800 . 4.990 3.972 3.802 4.200 . 0 0 "[ . 1 . 2]" 1
283 1 13 ILE HA 1 100 THR MG 1.800 . 3.970 2.500 2.252 2.899 . 0 0 "[ . 1 . 2]" 1
284 1 13 ILE HA 1 13 ILE MD 1.800 . 4.510 3.840 3.783 3.892 . 0 0 "[ . 1 . 2]" 1
285 1 13 ILE HA 1 13 ILE QG 1.800 . 3.620 2.422 2.347 2.504 . 0 0 "[ . 1 . 2]" 1
286 1 13 ILE HA 1 16 VAL HB 1.800 . 4.140 2.443 2.110 2.835 . 0 0 "[ . 1 . 2]" 1
287 1 13 ILE HA 1 16 VAL MG2 1.800 . 3.990 2.901 2.666 3.174 . 0 0 "[ . 1 . 2]" 1
288 1 13 ILE HA 1 16 VAL H 1.800 . 4.680 3.437 3.008 3.671 . 0 0 "[ . 1 . 2]" 1
289 1 13 ILE HA 1 17 TRP H 1.800 . 5.190 3.853 3.436 4.129 . 0 0 "[ . 1 . 2]" 1
290 1 13 ILE HB 1 100 THR MG 1.800 . 4.070 2.831 2.533 3.141 . 0 0 "[ . 1 . 2]" 1
291 1 13 ILE HB 1 13 ILE MD 1.800 . 3.610 2.465 2.385 2.512 . 0 0 "[ . 1 . 2]" 1
292 1 13 ILE HB 1 14 GLU H 1.800 . 5.060 4.066 3.966 4.239 . 0 0 "[ . 1 . 2]" 1
293 1 13 ILE HB 1 95 SER HA 1.800 . 5.330 3.281 2.442 4.016 . 0 0 "[ . 1 . 2]" 1
294 1 13 ILE MD 1 100 THR MG 1.800 . 3.490 2.976 2.568 3.300 . 0 0 "[ . 1 . 2]" 1
295 1 13 ILE MD 1 76 PRO QB 1.800 . 4.360 3.202 2.658 3.560 . 0 0 "[ . 1 . 2]" 1
296 1 13 ILE MD 1 76 PRO QG 1.800 . 3.860 2.394 1.930 3.261 . 0 0 "[ . 1 . 2]" 1
297 1 13 ILE MD 1 77 THR HA 1.800 . 3.550 2.083 1.687 3.098 0.113 11 0 "[ . 1 . 2]" 1
298 1 13 ILE MD 1 77 THR HB 1.800 . 6.000 4.095 2.794 5.352 . 0 0 "[ . 1 . 2]" 1
299 1 13 ILE MD 1 93 PHE HA 1.800 . 4.810 4.228 3.936 4.396 . 0 0 "[ . 1 . 2]" 1
300 1 13 ILE MD 1 93 PHE HB3 1.800 . 3.850 2.764 2.297 3.068 . 0 0 "[ . 1 . 2]" 1
301 1 13 ILE MD 1 93 PHE HB2 1.800 . 3.850 2.354 2.110 2.649 . 0 0 "[ . 1 . 2]" 1
302 1 13 ILE MD 1 93 PHE H 1.800 . 4.950 4.223 3.932 4.383 . 0 0 "[ . 1 . 2]" 1
303 1 13 ILE MD 1 94 ALA HA 1.800 . 4.490 3.566 2.591 4.003 . 0 0 "[ . 1 . 2]" 1
304 1 13 ILE MD 1 94 ALA MB 1.800 . 4.880 4.595 3.908 4.933 0.053 12 0 "[ . 1 . 2]" 1
305 1 13 ILE MD 1 94 ALA H 1.800 . 4.880 4.258 3.275 4.639 . 0 0 "[ . 1 . 2]" 1
306 1 13 ILE MD 1 95 SER HA 1.800 . 4.400 3.557 2.903 4.184 . 0 0 "[ . 1 . 2]" 1
307 1 13 ILE MD 1 95 SER QB 1.800 . 4.350 2.887 1.905 3.994 . 0 0 "[ . 1 . 2]" 1
308 1 13 ILE MD 1 95 SER H 1.800 . 3.530 2.748 1.925 3.485 . 0 0 "[ . 1 . 2]" 1
309 1 13 ILE QG 1 100 THR MG 1.800 . 5.120 2.290 2.022 2.592 . 0 0 "[ . 1 . 2]" 1
310 1 13 ILE QG 1 14 GLU H 1.800 . 5.250 3.978 3.654 4.157 . 0 0 "[ . 1 . 2]" 1
311 1 13 ILE QG 1 76 PRO QB 1.800 . 3.900 2.302 1.937 2.912 . 0 0 "[ . 1 . 2]" 1
312 1 13 ILE QG 1 93 PHE QB 1.800 . 4.510 2.120 1.922 2.351 . 0 0 "[ . 1 . 2]" 1
313 1 13 ILE QG 1 13 ILE MG 1.800 . 3.610 2.408 2.381 2.442 . 0 0 "[ . 1 . 2]" 1
314 1 13 ILE MG 1 14 GLU HA 1.800 . 4.520 3.464 3.305 3.772 . 0 0 "[ . 1 . 2]" 1
315 1 13 ILE MG 1 14 GLU QG 1.800 . 3.860 2.782 2.104 3.715 . 0 0 "[ . 1 . 2]" 1
316 1 13 ILE MG 1 14 GLU H 1.800 . 3.310 2.369 2.201 2.602 . 0 0 "[ . 1 . 2]" 1
317 1 13 ILE MG 1 76 PRO QG 1.800 . 4.800 2.504 1.973 3.291 . 0 0 "[ . 1 . 2]" 1
318 1 13 ILE MG 1 77 THR MG 1.800 . 5.920 4.525 3.522 5.850 . 0 0 "[ . 1 . 2]" 1
319 1 13 ILE MG 1 95 SER QB 1.800 . 4.250 2.962 2.015 4.252 0.002 7 0 "[ . 1 . 2]" 1
320 1 13 ILE MG 1 95 SER H 1.800 . 5.260 4.530 3.656 5.234 . 0 0 "[ . 1 . 2]" 1
321 1 13 ILE H 1 13 ILE HB 1.800 . 3.490 2.511 2.420 2.648 . 0 0 "[ . 1 . 2]" 1
322 1 13 ILE H 1 13 ILE MD 1.800 . 4.950 4.438 4.369 4.500 . 0 0 "[ . 1 . 2]" 1
323 1 13 ILE H 1 13 ILE QG 1.800 . 5.530 4.021 3.983 4.065 . 0 0 "[ . 1 . 2]" 1
324 1 13 ILE H 1 13 ILE MG 1.800 . 3.410 2.107 1.887 2.266 . 0 0 "[ . 1 . 2]" 1
325 1 13 ILE H 1 14 GLU H 1.800 . 4.500 2.690 2.560 2.820 . 0 0 "[ . 1 . 2]" 1
326 1 14 GLU HA 1 14 GLU QG 1.800 . 3.790 2.812 2.435 3.405 . 0 0 "[ . 1 . 2]" 1
327 1 14 GLU HA 1 17 TRP QB 1.800 . 4.570 2.763 2.344 3.123 . 0 0 "[ . 1 . 2]" 1
328 1 14 GLU HA 1 17 TRP H 1.800 . 4.760 3.709 3.336 4.033 . 0 0 "[ . 1 . 2]" 1
329 1 14 GLU HA 1 76 PRO QB 1.800 . 5.010 3.116 2.259 4.238 . 0 0 "[ . 1 . 2]" 1
330 1 14 GLU QB 1 15 ALA H 1.800 . 3.940 2.626 2.208 3.460 . 0 0 "[ . 1 . 2]" 1
331 1 14 GLU QG 1 15 ALA H 1.800 . 4.320 3.703 2.148 4.427 0.107 19 0 "[ . 1 . 2]" 1
332 1 14 GLU H 1 14 GLU QB 1.800 . 3.400 2.510 2.420 2.589 . 0 0 "[ . 1 . 2]" 1
333 1 14 GLU H 1 14 GLU QG 1.800 . 3.720 2.184 1.932 3.343 . 0 0 "[ . 1 . 2]" 1
334 1 14 GLU H 1 15 ALA MB 1.800 . 5.610 4.343 4.199 4.473 . 0 0 "[ . 1 . 2]" 1
335 1 14 GLU H 1 15 ALA H 1.800 . 3.660 2.652 2.502 2.826 . 0 0 "[ . 1 . 2]" 1
336 1 15 ALA HA 1 18 TRP QB 1.800 . 4.130 2.724 1.999 4.412 0.282 12 0 "[ . 1 . 2]" 1
337 1 15 ALA MB 1 132 VAL MG1 1.800 . 5.140 3.447 2.772 4.227 . 0 0 "[ . 1 . 2]" 1
338 1 15 ALA MB 1 137 LEU MD1 1.800 . 4.310 2.630 1.928 4.330 0.020 13 0 "[ . 1 . 2]" 1
339 1 15 ALA MB 1 137 LEU MD2 1.800 . 4.830 3.803 1.944 4.897 0.067 12 0 "[ . 1 . 2]" 1
340 1 15 ALA MB 1 16 VAL MG2 1.800 . 3.930 3.263 2.962 3.599 . 0 0 "[ . 1 . 2]" 1
341 1 15 ALA MB 1 16 VAL H 1.800 . 3.810 2.636 2.383 2.822 . 0 0 "[ . 1 . 2]" 1
342 1 15 ALA MB 1 17 TRP H 1.800 . 5.320 4.658 4.453 4.900 . 0 0 "[ . 1 . 2]" 1
343 1 15 ALA MB 1 18 TRP H 1.800 . 5.420 4.589 4.244 4.788 . 0 0 "[ . 1 . 2]" 1
344 1 15 ALA H 1 15 ALA MB 1.800 . 3.280 2.253 2.217 2.298 . 0 0 "[ . 1 . 2]" 1
345 1 15 ALA H 1 16 VAL MG2 1.800 . 4.930 4.027 3.849 4.262 . 0 0 "[ . 1 . 2]" 1
346 1 15 ALA H 1 16 VAL H 1.800 . 3.480 2.544 2.388 2.713 . 0 0 "[ . 1 . 2]" 1
347 1 16 VAL HA 1 128 PHE QE 1.800 . 5.090 3.929 3.675 4.191 . 0 0 "[ . 1 . 2]" 1
348 1 16 VAL HA 1 132 VAL MG1 1.800 . 4.480 2.974 2.350 4.182 . 0 0 "[ . 1 . 2]" 1
349 1 16 VAL HA 1 132 VAL MG2 1.800 . 4.280 3.009 2.689 3.725 . 0 0 "[ . 1 . 2]" 1
350 1 16 VAL HA 1 16 VAL MG1 1.800 . 3.740 2.536 2.484 2.587 . 0 0 "[ . 1 . 2]" 1
351 1 16 VAL HA 1 16 VAL MG2 1.800 . 3.510 2.426 2.373 2.476 . 0 0 "[ . 1 . 2]" 1
352 1 16 VAL HA 1 19 ALA MB 1.800 . 4.210 2.934 2.465 3.257 . 0 0 "[ . 1 . 2]" 1
353 1 16 VAL HA 1 19 ALA H 1.800 . 4.910 3.740 3.515 3.973 . 0 0 "[ . 1 . 2]" 1
354 1 16 VAL HB 1 100 THR MG 1.800 . 4.470 3.011 2.739 3.358 . 0 0 "[ . 1 . 2]" 1
355 1 16 VAL HB 1 17 TRP H 1.800 . 3.920 2.554 2.364 2.782 . 0 0 "[ . 1 . 2]" 1
356 1 16 VAL MG1 1 128 PHE QE 1.800 . 3.720 2.157 1.833 2.481 . 0 0 "[ . 1 . 2]" 1
357 1 16 VAL MG1 1 17 TRP HA 1.800 . 5.160 3.509 3.371 3.709 . 0 0 "[ . 1 . 2]" 1
358 1 16 VAL MG1 1 17 TRP H 1.800 . 4.510 3.340 3.112 3.689 . 0 0 "[ . 1 . 2]" 1
359 1 16 VAL MG1 1 20 TRP HB3 1.800 . 5.150 4.462 3.996 4.812 . 0 0 "[ . 1 . 2]" 1
360 1 16 VAL MG1 1 20 TRP HB2 1.800 . 5.150 3.541 3.207 3.958 . 0 0 "[ . 1 . 2]" 1
361 1 16 VAL MG1 1 93 PHE QB 1.800 . 5.670 3.724 3.201 4.263 . 0 0 "[ . 1 . 2]" 1
362 1 16 VAL MG1 1 93 PHE QD 1.800 . 3.750 2.231 1.987 2.573 . 0 0 "[ . 1 . 2]" 1
363 1 16 VAL MG1 1 93 PHE QE 1.800 . 4.110 2.341 1.936 2.737 . 0 0 "[ . 1 . 2]" 1
364 1 16 VAL MG2 1 100 THR HB 1.800 . 3.670 2.204 1.939 2.607 . 0 0 "[ . 1 . 2]" 1
365 1 16 VAL MG2 1 100 THR MG 1.800 . 3.540 2.805 2.514 3.084 . 0 0 "[ . 1 . 2]" 1
366 1 16 VAL MG2 1 132 VAL MG1 1.800 . 3.480 2.447 2.035 3.020 . 0 0 "[ . 1 . 2]" 1
367 1 16 VAL MG2 1 17 TRP H 1.800 . 4.620 3.874 3.792 3.963 . 0 0 "[ . 1 . 2]" 1
368 1 16 VAL H 1 16 VAL HB 1.800 . 3.550 2.497 2.435 2.580 . 0 0 "[ . 1 . 2]" 1
369 1 16 VAL H 1 16 VAL MG1 1.800 . 4.390 3.808 3.776 3.837 . 0 0 "[ . 1 . 2]" 1
370 1 16 VAL H 1 16 VAL MG2 1.800 . 3.520 2.190 2.072 2.294 . 0 0 "[ . 1 . 2]" 1
371 1 16 VAL H 1 17 TRP H 1.800 . 3.930 2.687 2.571 2.825 . 0 0 "[ . 1 . 2]" 1
372 1 17 TRP HA 1 20 TRP HB3 1.800 . 5.670 2.586 2.204 3.050 . 0 0 "[ . 1 . 2]" 1
373 1 17 TRP HA 1 20 TRP HB2 1.800 . 5.670 3.248 2.747 3.671 . 0 0 "[ . 1 . 2]" 1
374 1 17 TRP HA 1 20 TRP HD1 1.800 . 5.820 4.800 4.355 5.438 . 0 0 "[ . 1 . 2]" 1
375 1 17 TRP HA 1 20 TRP H 1.800 . 5.100 3.397 3.140 3.549 . 0 0 "[ . 1 . 2]" 1
376 1 17 TRP HA 1 93 PHE QE 1.800 . 6.050 3.877 3.427 4.453 . 0 0 "[ . 1 . 2]" 1
377 1 17 TRP QB 1 18 TRP H 1.800 . 3.970 2.660 2.470 2.847 . 0 0 "[ . 1 . 2]" 1
378 1 17 TRP QB 1 76 PRO QB 1.800 . 4.160 2.347 2.133 2.750 . 0 0 "[ . 1 . 2]" 1
379 1 17 TRP HB3 1 76 PRO HB3 1.800 . 6.020 3.263 2.857 3.955 . 0 0 "[ . 1 . 2]" 1
380 1 17 TRP HB3 1 76 PRO HB2 1.800 . 6.020 3.346 2.890 3.954 . 0 0 "[ . 1 . 2]" 1
381 1 17 TRP HB2 1 76 PRO HB3 1.800 . 6.020 3.239 2.811 3.880 . 0 0 "[ . 1 . 2]" 1
382 1 17 TRP HB2 1 76 PRO HB2 1.800 . 6.020 2.578 2.289 3.006 . 0 0 "[ . 1 . 2]" 1
383 1 17 TRP HD1 1 18 TRP HA 1.800 . 5.260 3.625 3.061 4.143 . 0 0 "[ . 1 . 2]" 1
384 1 17 TRP HD1 1 18 TRP H 1.800 . 4.810 3.908 3.464 4.295 . 0 0 "[ . 1 . 2]" 1
385 1 17 TRP HD1 1 75 ALA MB 1.800 . 4.990 4.082 3.597 4.792 . 0 0 "[ . 1 . 2]" 1
386 1 17 TRP HE1 1 45 LEU MD2 1.800 . 4.540 2.684 1.936 4.248 . 0 0 "[ . 1 . 2]" 1
387 1 17 TRP HE1 1 75 ALA MB 1.800 . 4.140 2.863 2.294 3.356 . 0 0 "[ . 1 . 2]" 1
388 1 17 TRP HH2 1 45 LEU MD1 1.800 . 4.180 3.082 2.478 3.549 . 0 0 "[ . 1 . 2]" 1
389 1 17 TRP HH2 1 73 VAL HA 1.800 . 5.680 3.716 3.053 4.406 . 0 0 "[ . 1 . 2]" 1
390 1 17 TRP HH2 1 73 VAL MG1 1.800 . 4.560 2.748 2.343 3.490 . 0 0 "[ . 1 . 2]" 1
391 1 17 TRP HH2 1 75 ALA MB 1.800 . 4.400 3.805 3.510 4.240 . 0 0 "[ . 1 . 2]" 1
392 1 17 TRP HH2 1 79 LEU HB3 1.800 . 4.290 4.032 3.638 4.313 0.023 19 0 "[ . 1 . 2]" 1
393 1 17 TRP HH2 1 79 LEU HB2 1.800 . 4.290 2.362 2.027 2.806 . 0 0 "[ . 1 . 2]" 1
394 1 17 TRP HH2 1 79 LEU MD1 1.800 . 3.810 2.130 1.741 2.836 0.059 10 0 "[ . 1 . 2]" 1
395 1 17 TRP HH2 1 79 LEU MD2 1.800 . 6.050 2.964 2.240 3.612 . 0 0 "[ . 1 . 2]" 1
396 1 17 TRP H 1 17 TRP QB 1.800 . 3.430 2.275 2.231 2.318 . 0 0 "[ . 1 . 2]" 1
397 1 17 TRP H 1 18 TRP H 1.800 . 4.130 2.720 2.646 2.896 . 0 0 "[ . 1 . 2]" 1
398 1 17 TRP HZ2 1 45 LEU MD2 1.800 . 3.970 2.031 1.766 2.736 0.034 8 0 "[ . 1 . 2]" 1
399 1 17 TRP HZ2 1 73 VAL MG1 1.800 . 4.000 2.569 2.063 3.374 . 0 0 "[ . 1 . 2]" 1
400 1 17 TRP HZ2 1 75 ALA MB 1.800 . 3.840 2.530 2.261 2.700 . 0 0 "[ . 1 . 2]" 1
401 1 17 TRP HZ2 1 75 ALA H 1.800 . 5.640 4.562 4.192 5.058 . 0 0 "[ . 1 . 2]" 1
402 1 17 TRP HZ2 1 79 LEU QB 1.800 . 5.180 4.458 4.122 4.984 . 0 0 "[ . 1 . 2]" 1
403 1 18 TRP HA 1 18 TRP HD1 1.800 . 4.410 3.221 2.496 4.587 0.177 11 0 "[ . 1 . 2]" 1
404 1 18 TRP HA 1 22 ASP H 1.800 . 5.750 3.920 3.152 4.335 . 0 0 "[ . 1 . 2]" 1
405 1 18 TRP QB 1 19 ALA H 1.800 . 3.690 2.557 2.184 3.687 . 0 0 "[ . 1 . 2]" 1
406 1 18 TRP HE3 1 137 LEU MD2 1.800 . 5.370 3.557 2.502 5.317 . 0 0 "[ . 1 . 2]" 1
407 1 18 TRP HE3 1 19 ALA HA 1.800 . 5.700 3.569 2.513 5.836 0.136 16 0 "[ . 1 . 2]" 1
408 1 18 TRP HE3 1 19 ALA MB 1.800 . 4.450 3.182 2.210 4.690 0.240 6 0 "[ . 1 . 2]" 1
409 1 18 TRP HE3 1 19 ALA H 1.800 . 4.800 3.239 2.573 4.416 . 0 0 "[ . 1 . 2]" 1
410 1 18 TRP H 1 18 TRP QB 1.800 . 3.340 2.387 2.224 2.759 . 0 0 "[ . 1 . 2]" 1
411 1 18 TRP H 1 19 ALA MB 1.800 . 5.080 4.373 4.238 4.475 . 0 0 "[ . 1 . 2]" 1
412 1 18 TRP H 1 19 ALA H 1.800 . 3.930 2.733 2.539 2.831 . 0 0 "[ . 1 . 2]" 1
413 1 18 TRP HZ3 1 137 LEU MD1 1.800 . 5.800 3.317 2.166 5.808 0.008 13 0 "[ . 1 . 2]" 1
414 1 18 TRP HZ3 1 137 LEU MD2 1.800 . 4.490 2.781 1.914 4.517 0.027 16 0 "[ . 1 . 2]" 1
415 1 19 ALA HA 1 22 ASP QB 1.800 . 5.870 3.117 2.299 3.844 . 0 0 "[ . 1 . 2]" 1
416 1 19 ALA HA 1 22 ASP H 1.800 . 5.170 3.783 3.134 4.446 . 0 0 "[ . 1 . 2]" 1
417 1 19 ALA HA 1 25 CYS QB 1.800 . 4.550 2.779 2.097 3.401 . 0 0 "[ . 1 . 2]" 1
418 1 19 ALA MB 1 128 PHE QE 1.800 . 3.730 2.187 1.917 2.708 . 0 0 "[ . 1 . 2]" 1
419 1 19 ALA MB 1 131 TYR QD 1.800 . 4.460 2.903 2.210 3.902 . 0 0 "[ . 1 . 2]" 1
420 1 19 ALA MB 1 131 TYR QE 1.800 . 3.780 2.520 1.779 3.622 0.021 9 0 "[ . 1 . 2]" 1
421 1 19 ALA MB 1 132 VAL MG2 1.800 . 3.660 2.226 1.892 3.088 . 0 0 "[ . 1 . 2]" 1
422 1 19 ALA MB 1 137 LEU MD1 1.800 . 4.330 2.521 1.917 4.292 . 0 0 "[ . 1 . 2]" 1
423 1 19 ALA MB 1 20 TRP H 1.800 . 4.250 2.826 2.684 3.135 . 0 0 "[ . 1 . 2]" 1
424 1 19 ALA MB 1 21 ASN H 1.800 . 6.050 4.620 4.345 4.924 . 0 0 "[ . 1 . 2]" 1
425 1 19 ALA MB 1 25 CYS HA 1.800 . 6.050 5.305 4.716 5.956 . 0 0 "[ . 1 . 2]" 1
426 1 19 ALA MB 1 25 CYS QB 1.800 . 4.550 3.364 2.724 4.274 . 0 0 "[ . 1 . 2]" 1
427 1 19 ALA H 1 19 ALA MB 1.800 . 3.360 2.233 2.187 2.278 . 0 0 "[ . 1 . 2]" 1
428 1 19 ALA H 1 20 TRP H 1.800 . 3.900 2.667 2.544 2.750 . 0 0 "[ . 1 . 2]" 1
429 1 20 TRP HA 1 128 PHE QE 1.800 . 4.350 3.026 2.591 3.910 . 0 0 "[ . 1 . 2]" 1
430 1 20 TRP HA 1 29 TRP HE1 1.800 . 5.350 3.336 2.726 4.603 . 0 0 "[ . 1 . 2]" 1
431 1 20 TRP HA 1 29 TRP HZ2 1.800 . 3.980 2.022 1.710 2.477 0.090 7 0 "[ . 1 . 2]" 1
432 1 20 TRP QB 1 21 ASN QB 1.800 . 5.010 3.715 3.256 4.072 . 0 0 "[ . 1 . 2]" 1
433 1 20 TRP HB3 1 21 ASN H 1.800 . 4.870 2.893 2.629 3.222 . 0 0 "[ . 1 . 2]" 1
434 1 20 TRP HB2 1 21 ASN H 1.800 . 4.870 4.001 3.897 4.160 . 0 0 "[ . 1 . 2]" 1
435 1 20 TRP HD1 1 79 LEU MD1 1.800 . 5.860 4.843 4.547 5.217 . 0 0 "[ . 1 . 2]" 1
436 1 20 TRP HD1 1 79 LEU MD2 1.800 . 4.060 2.543 2.193 2.903 . 0 0 "[ . 1 . 2]" 1
437 1 20 TRP HE1 1 79 LEU MD2 1.800 . 4.570 1.970 1.689 2.580 0.111 16 0 "[ . 1 . 2]" 1
438 1 20 TRP HE1 1 91 VAL MG2 1.800 . 4.870 3.478 2.656 4.361 . 0 0 "[ . 1 . 2]" 1
439 1 20 TRP HH2 1 125 LEU MD1 1.800 . 4.270 3.122 2.334 4.042 . 0 0 "[ . 1 . 2]" 1
440 1 20 TRP H 1 128 PHE QE 1.800 . 5.120 3.280 2.747 4.245 . 0 0 "[ . 1 . 2]" 1
441 1 20 TRP H 1 20 TRP HB3 1.800 . 4.110 2.591 2.539 2.668 . 0 0 "[ . 1 . 2]" 1
442 1 20 TRP H 1 20 TRP HB2 1.800 . 4.110 2.562 2.429 2.677 . 0 0 "[ . 1 . 2]" 1
443 1 20 TRP H 1 21 ASN H 1.800 . 4.280 2.511 2.378 2.685 . 0 0 "[ . 1 . 2]" 1
444 1 20 TRP HZ2 1 91 VAL MG1 1.800 . 5.030 3.172 2.589 3.926 . 0 0 "[ . 1 . 2]" 1
445 1 20 TRP HZ2 1 91 VAL MG2 1.800 . 4.070 1.997 1.846 2.391 . 0 0 "[ . 1 . 2]" 1
446 1 20 TRP HZ3 1 125 LEU MD1 1.800 . 3.960 2.428 1.825 3.298 . 0 0 "[ . 1 . 2]" 1
447 1 21 ASN HA 1 26 ILE MD 1.800 . 4.390 2.905 2.235 4.300 . 0 0 "[ . 1 . 2]" 1
448 1 21 ASN QB 1 22 ASP H 1.800 . 4.430 3.101 2.627 3.793 . 0 0 "[ . 1 . 2]" 1
449 1 21 ASN QB 1 45 LEU MD2 1.800 . 4.170 2.633 1.701 3.731 0.099 1 0 "[ . 1 . 2]" 1
450 1 21 ASN H 1 21 ASN QB 1.800 . 3.850 2.408 2.223 2.752 . 0 0 "[ . 1 . 2]" 1
451 1 21 ASN H 1 21 ASN QD 1.800 . 5.480 3.602 1.753 4.653 0.047 1 0 "[ . 1 . 2]" 1
452 1 21 ASN H 1 22 ASP QB 1.800 . 5.870 4.106 3.894 4.488 . 0 0 "[ . 1 . 2]" 1
453 1 21 ASN H 1 22 ASP H 1.800 . 4.060 2.310 2.174 2.427 . 0 0 "[ . 1 . 2]" 1
454 1 22 ASP HA 1 23 PRO HD3 1.800 . 3.850 2.268 1.930 2.659 . 0 0 "[ . 1 . 2]" 1
455 1 22 ASP HA 1 23 PRO HD2 1.800 . 3.850 2.407 1.964 2.786 . 0 0 "[ . 1 . 2]" 1
456 1 22 ASP HA 1 25 CYS H 1.800 . 5.400 4.630 4.379 4.951 . 0 0 "[ . 1 . 2]" 1
457 1 22 ASP QB 1 24 ASP H 1.800 . 5.870 3.950 2.638 4.303 . 0 0 "[ . 1 . 2]" 1
458 1 22 ASP QB 1 25 CYS HA 1.800 . 5.870 4.640 4.302 5.116 . 0 0 "[ . 1 . 2]" 1
459 1 22 ASP QB 1 25 CYS QB 1.800 . 5.370 2.310 1.852 3.357 . 0 0 "[ . 1 . 2]" 1
460 1 22 ASP QB 1 25 CYS H 1.800 . 4.730 2.961 2.473 3.216 . 0 0 "[ . 1 . 2]" 1
461 1 22 ASP H 1 22 ASP QB 1.800 . 3.890 2.295 2.244 2.483 . 0 0 "[ . 1 . 2]" 1
462 1 22 ASP H 1 26 ILE MD 1.800 . 5.190 4.055 3.464 5.190 0.000 4 0 "[ . 1 . 2]" 1
463 1 23 PRO HA 1 26 ILE HB 1.800 . 4.250 2.780 1.956 4.291 0.041 7 0 "[ . 1 . 2]" 1
464 1 23 PRO HA 1 26 ILE MD 1.800 . 4.190 2.704 2.051 4.387 0.197 4 0 "[ . 1 . 2]" 1
465 1 23 PRO HA 1 26 ILE MG 1.800 . 5.610 3.553 2.017 4.307 . 0 0 "[ . 1 . 2]" 1
466 1 23 PRO HA 1 26 ILE H 1.800 . 5.320 3.606 3.278 4.164 . 0 0 "[ . 1 . 2]" 1
467 1 23 PRO HA 1 43 VAL MG2 1.800 . 5.080 3.185 2.334 4.360 . 0 0 "[ . 1 . 2]" 1
468 1 23 PRO QB 1 24 ASP H 1.800 . 3.940 2.967 2.534 3.403 . 0 0 "[ . 1 . 2]" 1
469 1 23 PRO QB 1 43 VAL MG2 1.800 . 4.640 3.359 1.900 4.485 . 0 0 "[ . 1 . 2]" 1
470 1 23 PRO QD 1 24 ASP H 1.800 . 4.540 2.863 2.607 3.213 . 0 0 "[ . 1 . 2]" 1
471 1 23 PRO QG 1 24 ASP H 1.800 . 4.160 3.194 2.299 4.049 . 0 0 "[ . 1 . 2]" 1
472 1 24 ASP HA 1 27 ALA MB 1.800 . 4.410 2.755 2.461 3.386 . 0 0 "[ . 1 . 2]" 1
473 1 24 ASP HA 1 27 ALA H 1.800 . 5.530 3.570 3.165 4.152 . 0 0 "[ . 1 . 2]" 1
474 1 24 ASP QB 1 25 CYS H 1.800 . 4.360 2.659 2.185 3.470 . 0 0 "[ . 1 . 2]" 1
475 1 24 ASP H 1 24 ASP QB 1.800 . 3.320 2.386 2.242 2.551 . 0 0 "[ . 1 . 2]" 1
476 1 25 CYS HA 1 28 ARG HB3 1.800 . 6.050 3.927 2.606 5.040 . 0 0 "[ . 1 . 2]" 1
477 1 25 CYS HA 1 28 ARG HB2 1.800 . 6.050 3.699 2.682 5.458 . 0 0 "[ . 1 . 2]" 1
478 1 25 CYS HA 1 28 ARG QD 1.800 . 5.100 3.810 2.268 5.334 0.234 18 0 "[ . 1 . 2]" 1
479 1 25 CYS HA 1 28 ARG QG 1.800 . 5.870 4.190 2.346 5.976 0.106 1 0 "[ . 1 . 2]" 1
480 1 25 CYS HA 1 28 ARG H 1.800 . 5.200 3.683 3.080 4.048 . 0 0 "[ . 1 . 2]" 1
481 1 25 CYS QB 1 131 TYR QE 1.800 . 5.200 2.889 1.904 4.201 . 0 0 "[ . 1 . 2]" 1
482 1 25 CYS H 1 26 ILE H 1.800 . 4.400 2.637 2.568 2.708 . 0 0 "[ . 1 . 2]" 1
483 1 26 ILE HB 1 27 ALA H 1.800 . 5.080 2.976 2.372 4.053 . 0 0 "[ . 1 . 2]" 1
484 1 26 ILE MD 1 43 VAL MG2 1.800 . 3.890 2.114 1.739 3.435 0.061 16 0 "[ . 1 . 2]" 1
485 1 26 ILE MD 1 53 HIS HE1 1.800 . 3.710 2.522 1.827 3.807 0.097 16 0 "[ . 1 . 2]" 1
486 1 26 ILE MD 1 26 ILE MG 1.800 . 4.130 2.027 1.973 2.104 . 0 0 "[ . 1 . 2]" 1
487 1 26 ILE MG 1 27 ALA H 1.800 . 5.650 3.371 2.342 3.822 . 0 0 "[ . 1 . 2]" 1
488 1 26 ILE MG 1 53 HIS HE1 1.800 . 6.050 2.657 1.811 3.510 . 0 0 "[ . 1 . 2]" 1
489 1 26 ILE H 1 26 ILE MD 1.800 . 5.050 3.658 3.307 4.406 . 0 0 "[ . 1 . 2]" 1
490 1 26 ILE H 1 26 ILE QG 1.800 . 4.470 2.384 1.921 4.004 . 0 0 "[ . 1 . 2]" 1
491 1 26 ILE H 1 27 ALA H 1.800 . 5.270 2.739 2.628 2.867 . 0 0 "[ . 1 . 2]" 1
492 1 27 ALA HA 1 38 THR HB 1.800 . 4.430 2.490 1.755 4.236 0.045 19 0 "[ . 1 . 2]" 1
493 1 27 ALA HA 1 38 THR MG 1.800 . 4.220 2.918 2.107 3.772 . 0 0 "[ . 1 . 2]" 1
494 1 27 ALA MB 1 28 ARG H 1.800 . 4.390 2.949 2.680 3.391 . 0 0 "[ . 1 . 2]" 1
495 1 27 ALA MB 1 38 THR HB 1.800 . 4.630 3.322 2.172 4.537 . 0 0 "[ . 1 . 2]" 1
496 1 27 ALA MB 1 38 THR MG 1.800 . 4.250 3.452 2.632 4.386 0.136 18 0 "[ . 1 . 2]" 1
497 1 27 ALA MB 1 41 SER QB 1.800 . 5.400 3.470 1.954 5.039 . 0 0 "[ . 1 . 2]" 1
498 1 27 ALA H 1 28 ARG H 1.800 . 4.300 2.692 2.413 2.858 . 0 0 "[ . 1 . 2]" 1
499 1 28 ARG QB 1 28 ARG QD 1.800 . 3.500 2.305 2.141 2.458 . 0 0 "[ . 1 . 2]" 1
500 1 28 ARG QD 1 131 TYR QE 1.800 . 4.080 2.655 1.899 3.595 . 0 0 "[ . 1 . 2]" 1
501 1 28 ARG H 1 28 ARG QB 1.800 . 3.840 2.380 2.215 2.759 . 0 0 "[ . 1 . 2]" 1
502 1 28 ARG H 1 28 ARG QG 1.800 . 4.100 3.341 1.971 4.084 . 0 0 "[ . 1 . 2]" 1
503 1 28 ARG H 1 29 TRP H 1.800 . 4.280 2.524 2.179 2.785 . 0 0 "[ . 1 . 2]" 1
504 1 29 TRP QB 1 131 TYR QB 1.800 . 4.950 2.845 2.117 3.813 . 0 0 "[ . 1 . 2]" 1
505 1 29 TRP QB 1 29 TRP HZ3 1.800 . 6.050 4.852 4.745 4.963 . 0 0 "[ . 1 . 2]" 1
506 1 29 TRP HE3 1 124 ILE MG 1.800 . 4.030 2.512 1.774 3.284 0.026 12 0 "[ . 1 . 2]" 1
507 1 29 TRP H 1 30 ASN H 1.800 . 4.870 3.603 2.202 4.530 . 0 0 "[ . 1 . 2]" 1
508 1 29 TRP HZ3 1 124 ILE MG 1.800 . 4.200 2.440 1.777 3.241 0.023 4 0 "[ . 1 . 2]" 1
509 1 29 TRP HZ3 1 30 ASN HA 1.800 . 4.460 3.623 3.152 4.615 0.155 12 0 "[ . 1 . 2]" 1
510 1 30 ASN HA 1 124 ILE MG 1.800 . 4.510 2.354 1.649 4.065 0.151 13 0 "[ . 1 . 2]" 1
511 1 31 ALA HA 1 32 ALA H 1.800 . 3.900 2.218 2.143 2.548 . 0 0 "[ . 1 . 2]" 1
512 1 31 ALA HA 1 33 SER H 1.800 . 5.370 3.873 3.255 4.582 . 0 0 "[ . 1 . 2]" 1
513 1 31 ALA HA 1 55 MET ME 1.800 . 4.210 3.125 1.914 4.307 0.097 19 0 "[ . 1 . 2]" 1
514 1 31 ALA MB 1 33 SER H 1.800 . 4.430 3.031 2.196 4.171 . 0 0 "[ . 1 . 2]" 1
515 1 31 ALA MB 1 36 TRP QB 1.800 . 4.690 2.551 1.876 4.362 . 0 0 "[ . 1 . 2]" 1
516 1 31 ALA MB 1 36 TRP H 1.800 . 4.940 3.791 3.262 4.366 . 0 0 "[ . 1 . 2]" 1
517 1 31 ALA MB 1 37 HIS HA 1.800 . 4.330 3.030 1.836 4.415 0.085 8 0 "[ . 1 . 2]" 1
518 1 32 ALA HA 1 124 ILE MD 1.800 . 4.810 4.010 2.203 5.003 0.193 14 0 "[ . 1 . 2]" 1
519 1 32 ALA HA 1 124 ILE QG 1.800 . 4.890 3.197 1.914 4.074 . 0 0 "[ . 1 . 2]" 1
520 1 32 ALA MB 1 124 ILE MD 1.800 . 4.660 3.187 2.224 4.545 . 0 0 "[ . 1 . 2]" 1
521 1 32 ALA MB 1 33 SER QB 1.800 . 4.990 3.791 3.382 4.337 . 0 0 "[ . 1 . 2]" 1
522 1 32 ALA MB 1 33 SER H 1.800 . 4.410 2.809 2.186 3.529 . 0 0 "[ . 1 . 2]" 1
523 1 32 ALA H 1 33 SER H 1.800 . 4.700 2.639 2.303 2.932 . 0 0 "[ . 1 . 2]" 1
524 1 32 ALA H 1 55 MET ME 1.800 . 5.260 3.616 1.975 4.817 . 0 0 "[ . 1 . 2]" 1
525 1 33 SER QB 1 35 ASP H 1.800 . 4.500 2.816 2.316 3.292 . 0 0 "[ . 1 . 2]" 1
526 1 33 SER QB 1 36 TRP HD1 1.800 . 5.070 2.295 1.713 3.764 0.087 20 0 "[ . 1 . 2]" 1
527 1 33 SER QB 1 36 TRP H 1.800 . 5.250 3.208 2.675 3.866 . 0 0 "[ . 1 . 2]" 1
528 1 33 SER HB3 1 34 SER H 1.800 . 6.050 3.466 2.183 4.091 . 0 0 "[ . 1 . 2]" 1
529 1 33 SER HB2 1 34 SER H 1.800 . 6.050 3.749 2.317 4.263 . 0 0 "[ . 1 . 2]" 1
530 1 33 SER H 1 36 TRP QB 1.800 . 5.010 2.981 1.777 4.445 0.023 19 0 "[ . 1 . 2]" 1
531 1 33 SER H 1 36 TRP H 1.800 . 5.290 4.168 3.168 5.341 0.051 9 0 "[ . 1 . 2]" 1
532 1 34 SER HA 1 36 TRP H 1.800 . 5.060 3.571 3.188 3.928 . 0 0 "[ . 1 . 2]" 1
533 1 34 SER HB3 1 35 ASP H 1.800 . 5.580 3.898 3.137 4.390 . 0 0 "[ . 1 . 2]" 1
534 1 34 SER HB2 1 35 ASP H 1.800 . 5.580 3.599 2.708 4.284 . 0 0 "[ . 1 . 2]" 1
535 1 35 ASP QB 1 36 TRP HD1 1.800 . 4.200 2.577 2.111 4.286 0.086 17 0 "[ . 1 . 2]" 1
536 1 35 ASP QB 1 36 TRP HE1 1.800 . 5.240 3.794 3.168 4.976 . 0 0 "[ . 1 . 2]" 1
537 1 35 ASP H 1 36 TRP H 1.800 . 3.890 2.555 2.357 2.750 . 0 0 "[ . 1 . 2]" 1
538 1 36 TRP HA 1 36 TRP HD1 1.800 . 4.940 3.781 3.125 4.085 . 0 0 "[ . 1 . 2]" 1
539 1 36 TRP HA 1 37 HIS HD2 1.800 . 6.020 3.765 2.750 6.281 0.261 5 0 "[ . 1 . 2]" 1
540 1 36 TRP HA 1 57 ALA HA 1.800 . 4.060 2.184 1.754 2.562 0.046 16 0 "[ . 1 . 2]" 1
541 1 36 TRP HA 1 57 ALA MB 1.800 . 4.730 3.753 3.284 4.137 . 0 0 "[ . 1 . 2]" 1
542 1 36 TRP HA 1 58 LYS H 1.800 . 4.260 3.540 2.626 4.287 0.027 10 0 "[ . 1 . 2]" 1
543 1 36 TRP QB 1 36 TRP HE3 1.800 . 3.840 2.428 2.353 2.548 . 0 0 "[ . 1 . 2]" 1
544 1 36 TRP HB3 1 37 HIS H 1.800 . 5.810 2.847 2.316 3.719 . 0 0 "[ . 1 . 2]" 1
545 1 36 TRP HB2 1 37 HIS H 1.800 . 5.810 3.954 3.511 4.462 . 0 0 "[ . 1 . 2]" 1
546 1 36 TRP HE1 1 57 ALA MB 1.800 . 4.380 3.816 2.579 4.430 0.050 12 0 "[ . 1 . 2]" 1
547 1 36 TRP HE3 1 56 ALA H 1.800 . 5.360 3.495 2.892 4.488 . 0 0 "[ . 1 . 2]" 1
548 1 36 TRP HE3 1 57 ALA HA 1.800 . 6.050 4.245 3.407 5.342 . 0 0 "[ . 1 . 2]" 1
549 1 36 TRP HH2 1 62 ALA MB 1.800 . 3.990 2.441 1.874 2.801 . 0 0 "[ . 1 . 2]" 1
550 1 36 TRP HH2 1 63 GLY QA 1.800 . 4.360 3.552 3.162 4.087 . 0 0 "[ . 1 . 2]" 1
551 1 36 TRP HH2 1 63 GLY H 1.800 . 4.990 3.619 3.260 4.038 . 0 0 "[ . 1 . 2]" 1
552 1 36 TRP H 1 36 TRP QB 1.800 . 3.710 2.502 2.382 2.638 . 0 0 "[ . 1 . 2]" 1
553 1 36 TRP H 1 36 TRP HD1 1.800 . 4.910 2.962 2.655 3.266 . 0 0 "[ . 1 . 2]" 1
554 1 36 TRP HZ2 1 62 ALA MB 1.800 . 3.860 2.895 2.320 3.928 0.068 11 0 "[ . 1 . 2]" 1
555 1 36 TRP HZ3 1 56 ALA HA 1.800 . 5.260 3.218 2.483 4.977 . 0 0 "[ . 1 . 2]" 1
556 1 36 TRP HZ3 1 63 GLY QA 1.800 . 4.480 2.190 1.772 2.788 0.028 20 0 "[ . 1 . 2]" 1
557 1 37 HIS HD2 1 56 ALA MB 1.800 . 5.000 4.444 3.442 5.076 0.076 16 0 "[ . 1 . 2]" 1
558 1 37 HIS HD2 1 56 ALA H 1.800 . 6.050 4.930 4.024 5.769 . 0 0 "[ . 1 . 2]" 1
559 1 37 HIS H 1 37 HIS HD2 1.800 . 4.520 3.318 2.566 4.660 0.140 19 0 "[ . 1 . 2]" 1
560 1 37 HIS H 1 56 ALA H 1.800 . 5.140 2.812 2.284 3.382 . 0 0 "[ . 1 . 2]" 1
561 1 38 THR HA 1 38 THR MG 1.800 . 4.130 2.396 2.342 2.470 . 0 0 "[ . 1 . 2]" 1
562 1 38 THR HA 1 55 MET HA 1.800 . 4.490 2.188 1.712 3.228 0.088 7 0 "[ . 1 . 2]" 1
563 1 38 THR HA 1 56 ALA H 1.800 . 5.380 3.443 2.842 4.087 . 0 0 "[ . 1 . 2]" 1
564 1 38 THR MG 1 39 THR H 1.800 . 4.350 3.187 2.849 3.838 . 0 0 "[ . 1 . 2]" 1
565 1 38 THR MG 1 40 GLY HA3 1.800 . 5.850 4.345 3.857 6.031 0.181 18 0 "[ . 1 . 2]" 1
566 1 38 THR MG 1 40 GLY HA2 1.800 . 5.850 3.959 2.916 5.622 . 0 0 "[ . 1 . 2]" 1
567 1 38 THR MG 1 40 GLY H 1.800 . 4.160 2.650 2.055 4.156 . 0 0 "[ . 1 . 2]" 1
568 1 38 THR MG 1 41 SER QB 1.800 . 4.310 2.519 1.834 3.628 . 0 0 "[ . 1 . 2]" 1
569 1 38 THR MG 1 41 SER H 1.800 . 5.300 3.732 3.031 5.310 0.010 18 0 "[ . 1 . 2]" 1
570 1 38 THR MG 1 54 HIS H 1.800 . 4.390 3.056 2.441 4.217 . 0 0 "[ . 1 . 2]" 1
571 1 38 THR H 1 38 THR MG 1.800 . 4.690 3.753 2.638 3.883 . 0 0 "[ . 1 . 2]" 1
572 1 39 THR HA 1 39 THR MG 1.800 . 4.020 2.692 2.336 3.280 . 0 0 "[ . 1 . 2]" 1
573 1 39 THR HB 1 40 GLY H 1.800 . 6.050 3.812 2.987 4.332 . 0 0 "[ . 1 . 2]" 1
574 1 39 THR MG 1 56 ALA MB 1.800 . 3.700 2.615 2.018 3.781 0.081 13 0 "[ . 1 . 2]" 1
575 1 39 THR H 1 39 THR MG 1.800 . 4.470 2.629 1.926 3.812 . 0 0 "[ . 1 . 2]" 1
576 1 39 THR H 1 40 GLY H 1.800 . 4.730 2.327 2.108 2.462 . 0 0 "[ . 1 . 2]" 1
577 1 39 THR H 1 55 MET HA 1.800 . 5.440 3.199 2.346 4.489 . 0 0 "[ . 1 . 2]" 1
578 1 40 GLY QA 1 41 SER H 1.800 . 3.280 2.208 2.142 2.323 . 0 0 "[ . 1 . 2]" 1
579 1 40 GLY H 1 41 SER H 1.800 . 5.380 3.995 3.520 4.368 . 0 0 "[ . 1 . 2]" 1
580 1 40 GLY H 1 54 HIS HB3 1.800 . 5.680 3.487 2.296 4.201 . 0 0 "[ . 1 . 2]" 1
581 1 40 GLY H 1 54 HIS HB2 1.800 . 5.680 3.342 2.021 4.839 . 0 0 "[ . 1 . 2]" 1
582 1 40 GLY H 1 54 HIS H 1.800 . 5.050 3.590 3.140 3.986 . 0 0 "[ . 1 . 2]" 1
583 1 41 SER HA 1 42 ARG H 1.800 . 3.700 2.186 2.123 2.293 . 0 0 "[ . 1 . 2]" 1
584 1 41 SER H 1 41 SER QB 1.800 . 3.790 2.708 2.396 3.216 . 0 0 "[ . 1 . 2]" 1
585 1 42 ARG HA 1 43 VAL H 1.800 . 3.210 2.210 2.142 2.280 . 0 0 "[ . 1 . 2]" 1
586 1 42 ARG QB 1 51 PHE HA 1.800 . 5.560 3.823 2.786 4.768 . 0 0 "[ . 1 . 2]" 1
587 1 42 ARG QB 1 52 CYS QB 1.800 . 4.950 3.120 2.119 4.284 . 0 0 "[ . 1 . 2]" 1
588 1 42 ARG QB 1 52 CYS H 1.800 . 4.830 3.158 1.998 4.189 . 0 0 "[ . 1 . 2]" 1
589 1 42 ARG HB3 1 43 VAL H 1.800 . 5.080 3.655 2.912 4.470 . 0 0 "[ . 1 . 2]" 1
590 1 42 ARG HB2 1 43 VAL H 1.800 . 5.080 4.129 3.013 4.491 . 0 0 "[ . 1 . 2]" 1
591 1 42 ARG QD 1 43 VAL H 1.800 . 5.600 4.772 2.241 5.727 0.127 5 0 "[ . 1 . 2]" 1
592 1 42 ARG QG 1 43 VAL H 1.800 . 5.870 3.846 2.401 4.852 . 0 0 "[ . 1 . 2]" 1
593 1 42 ARG H 1 52 CYS H 1.800 . 4.320 3.124 2.850 3.354 . 0 0 "[ . 1 . 2]" 1
594 1 43 VAL HA 1 43 VAL MG1 1.800 . 3.770 2.489 2.426 2.546 . 0 0 "[ . 1 . 2]" 1
595 1 43 VAL HA 1 43 VAL MG2 1.800 . 3.830 2.482 2.405 2.543 . 0 0 "[ . 1 . 2]" 1
596 1 43 VAL HA 1 44 ASP H 1.800 . 3.430 2.183 2.114 2.262 . 0 0 "[ . 1 . 2]" 1
597 1 43 VAL HA 1 51 PHE HA 1.800 . 4.100 2.548 2.083 3.193 . 0 0 "[ . 1 . 2]" 1
598 1 43 VAL HA 1 51 PHE QB 1.800 . 4.400 2.507 2.123 3.182 . 0 0 "[ . 1 . 2]" 1
599 1 43 VAL HA 1 52 CYS H 1.800 . 4.850 3.795 3.311 4.180 . 0 0 "[ . 1 . 2]" 1
600 1 43 VAL HB 1 44 ASP HA 1.800 . 6.050 4.907 4.736 5.085 . 0 0 "[ . 1 . 2]" 1
601 1 43 VAL HB 1 44 ASP H 1.800 . 5.180 4.385 4.210 4.505 . 0 0 "[ . 1 . 2]" 1
602 1 43 VAL MG1 1 44 ASP HA 1.800 . 5.030 3.750 3.458 4.043 . 0 0 "[ . 1 . 2]" 1
603 1 43 VAL MG1 1 44 ASP H 1.800 . 4.100 3.124 2.678 3.386 . 0 0 "[ . 1 . 2]" 1
604 1 43 VAL MG1 1 45 LEU HA 1.800 . 4.410 3.385 3.071 3.821 . 0 0 "[ . 1 . 2]" 1
605 1 43 VAL MG1 1 45 LEU HB3 1.800 . 5.500 3.534 3.216 4.128 . 0 0 "[ . 1 . 2]" 1
606 1 43 VAL MG1 1 45 LEU HB2 1.800 . 5.500 2.323 1.929 2.806 . 0 0 "[ . 1 . 2]" 1
607 1 43 VAL MG1 1 45 LEU MD1 1.800 . 3.760 3.188 2.649 3.677 . 0 0 "[ . 1 . 2]" 1
608 1 43 VAL MG1 1 45 LEU H 1.800 . 3.930 2.705 2.191 3.337 . 0 0 "[ . 1 . 2]" 1
609 1 43 VAL MG1 1 51 PHE HA 1.800 . 4.990 4.249 3.616 5.019 0.029 11 0 "[ . 1 . 2]" 1
610 1 43 VAL MG1 1 51 PHE QB 1.800 . 4.060 2.777 2.071 3.449 . 0 0 "[ . 1 . 2]" 1
611 1 43 VAL MG1 1 70 PHE QE 1.800 . 3.470 2.644 1.835 3.386 . 0 0 "[ . 1 . 2]" 1
612 1 43 VAL MG2 1 44 ASP H 1.800 . 4.740 4.243 4.031 4.388 . 0 0 "[ . 1 . 2]" 1
613 1 43 VAL MG2 1 51 PHE HA 1.800 . 4.620 3.844 3.216 4.555 . 0 0 "[ . 1 . 2]" 1
614 1 43 VAL MG2 1 51 PHE QB 1.800 . 3.870 2.467 1.740 3.154 0.060 16 0 "[ . 1 . 2]" 1
615 1 43 VAL MG2 1 52 CYS H 1.800 . 4.850 3.856 3.087 4.367 . 0 0 "[ . 1 . 2]" 1
616 1 43 VAL MG2 1 53 HIS HE1 1.800 . 3.220 2.461 1.794 3.263 0.043 18 0 "[ . 1 . 2]" 1
617 1 43 VAL MG2 1 70 PHE HZ 1.800 . 4.910 3.624 3.144 4.469 . 0 0 "[ . 1 . 2]" 1
618 1 43 VAL H 1 43 VAL HB 1.800 . 3.920 2.787 2.620 2.923 . 0 0 "[ . 1 . 2]" 1
619 1 43 VAL H 1 43 VAL MG1 1.800 . 4.720 3.943 3.868 4.008 . 0 0 "[ . 1 . 2]" 1
620 1 43 VAL H 1 43 VAL MG2 1.800 . 4.230 2.931 2.643 3.103 . 0 0 "[ . 1 . 2]" 1
621 1 43 VAL H 1 44 ASP H 1.800 . 5.270 4.058 3.833 4.324 . 0 0 "[ . 1 . 2]" 1
622 1 44 ASP HA 1 45 LEU HB3 1.800 . 6.050 4.705 4.559 4.857 . 0 0 "[ . 1 . 2]" 1
623 1 44 ASP HA 1 45 LEU HB2 1.800 . 6.050 4.714 4.533 4.890 . 0 0 "[ . 1 . 2]" 1
624 1 44 ASP HA 1 45 LEU H 1.800 . 2.990 2.265 2.161 2.391 . 0 0 "[ . 1 . 2]" 1
625 1 44 ASP HA 1 46 VAL MG1 1.800 . 5.780 4.518 4.186 4.854 . 0 0 "[ . 1 . 2]" 1
626 1 44 ASP QB 1 45 LEU H 1.800 . 4.310 3.897 3.765 4.054 . 0 0 "[ . 1 . 2]" 1
627 1 44 ASP QB 1 46 VAL MG1 1.800 . 4.950 4.290 3.742 5.073 0.123 9 0 "[ . 1 . 2]" 1
628 1 44 ASP QB 1 49 GLY QA 1.800 . 4.190 2.790 2.189 3.294 . 0 0 "[ . 1 . 2]" 1
629 1 44 ASP QB 1 50 ARG H 1.800 . 3.580 2.235 1.698 2.811 0.102 14 0 "[ . 1 . 2]" 1
630 1 44 ASP HB3 1 46 VAL MG2 1.800 . 4.940 3.102 2.381 4.026 . 0 0 "[ . 1 . 2]" 1
631 1 44 ASP HB2 1 46 VAL MG2 1.800 . 4.940 3.990 3.222 4.993 0.053 18 0 "[ . 1 . 2]" 1
632 1 44 ASP H 1 44 ASP QB 1.800 . 3.710 2.519 2.417 2.628 . 0 0 "[ . 1 . 2]" 1
633 1 44 ASP H 1 45 LEU H 1.800 . 4.970 3.768 3.584 3.940 . 0 0 "[ . 1 . 2]" 1
634 1 44 ASP H 1 51 PHE HA 1.800 . 4.610 3.097 2.799 3.454 . 0 0 "[ . 1 . 2]" 1
635 1 44 ASP H 1 51 PHE QB 1.800 . 3.790 3.304 2.785 3.967 0.177 14 0 "[ . 1 . 2]" 1
636 1 44 ASP H 1 70 PHE QE 1.800 . 4.550 2.627 2.258 3.023 . 0 0 "[ . 1 . 2]" 1
637 1 45 LEU HA 1 45 LEU MD1 1.800 . 3.630 2.169 2.067 2.306 . 0 0 "[ . 1 . 2]" 1
638 1 45 LEU HA 1 45 LEU MD2 1.800 . 4.960 3.965 3.899 4.013 . 0 0 "[ . 1 . 2]" 1
639 1 45 LEU HA 1 46 VAL H 1.800 . 3.500 2.364 2.295 2.444 . 0 0 "[ . 1 . 2]" 1
640 1 45 LEU HA 1 70 PHE QD 1.800 . 5.870 3.123 2.696 3.734 . 0 0 "[ . 1 . 2]" 1
641 1 45 LEU HA 1 70 PHE QE 1.800 . 4.520 3.003 2.585 3.397 . 0 0 "[ . 1 . 2]" 1
642 1 45 LEU HB3 1 45 LEU MD1 1.800 . 4.140 3.243 3.232 3.253 . 0 0 "[ . 1 . 2]" 1
643 1 45 LEU HB3 1 45 LEU MD2 1.800 . 4.230 2.333 2.294 2.422 . 0 0 "[ . 1 . 2]" 1
644 1 45 LEU HB2 1 45 LEU MD1 1.800 . 4.140 2.403 2.352 2.491 . 0 0 "[ . 1 . 2]" 1
645 1 45 LEU HB2 1 45 LEU MD2 1.800 . 4.230 2.522 2.414 2.604 . 0 0 "[ . 1 . 2]" 1
646 1 45 LEU MD1 1 46 VAL H 1.800 . 4.680 3.780 3.510 4.011 . 0 0 "[ . 1 . 2]" 1
647 1 45 LEU MD1 1 70 PHE QD 1.800 . 4.530 3.298 3.015 3.911 . 0 0 "[ . 1 . 2]" 1
648 1 45 LEU MD1 1 73 VAL MG1 1.800 . 3.750 2.308 2.025 2.630 . 0 0 "[ . 1 . 2]" 1
649 1 45 LEU MD1 1 73 VAL MG2 1.800 . 3.840 2.456 2.186 2.877 . 0 0 "[ . 1 . 2]" 1
650 1 45 LEU MD1 1 79 LEU MD1 1.800 . 3.560 2.056 1.917 2.265 . 0 0 "[ . 1 . 2]" 1
651 1 45 LEU MD1 1 79 LEU MD2 1.800 . 4.020 2.510 2.147 3.128 . 0 0 "[ . 1 . 2]" 1
652 1 45 LEU HG 1 73 VAL MG1 1.800 . 3.920 2.329 1.975 2.713 . 0 0 "[ . 1 . 2]" 1
653 1 45 LEU HG 1 73 VAL MG2 1.800 . 4.310 3.169 2.735 3.739 . 0 0 "[ . 1 . 2]" 1
654 1 45 LEU H 1 45 LEU HB3 1.800 . 3.440 2.501 2.430 2.571 . 0 0 "[ . 1 . 2]" 1
655 1 45 LEU H 1 45 LEU HB2 1.800 . 3.440 2.567 2.490 2.664 . 0 0 "[ . 1 . 2]" 1
656 1 45 LEU H 1 45 LEU MD1 1.800 . 4.460 4.186 4.120 4.260 . 0 0 "[ . 1 . 2]" 1
657 1 45 LEU H 1 45 LEU MD2 1.800 . 4.880 4.330 4.266 4.379 . 0 0 "[ . 1 . 2]" 1
658 1 45 LEU H 1 45 LEU HG 1.800 . 5.170 4.498 4.450 4.540 . 0 0 "[ . 1 . 2]" 1
659 1 45 LEU H 1 46 VAL H 1.800 . 4.930 3.870 3.709 3.968 . 0 0 "[ . 1 . 2]" 1
660 1 46 VAL HA 1 46 VAL MG1 1.800 . 3.340 2.406 2.335 2.488 . 0 0 "[ . 1 . 2]" 1
661 1 46 VAL HA 1 47 VAL HA 1.800 . 5.380 4.392 4.316 4.425 . 0 0 "[ . 1 . 2]" 1
662 1 46 VAL HA 1 47 VAL HB 1.800 . 5.800 4.977 4.745 5.126 . 0 0 "[ . 1 . 2]" 1
663 1 46 VAL HA 1 47 VAL MG2 1.800 . 4.360 3.610 3.395 3.753 . 0 0 "[ . 1 . 2]" 1
664 1 46 VAL HA 1 47 VAL H 1.800 . 3.010 2.402 2.230 2.458 . 0 0 "[ . 1 . 2]" 1
665 1 46 VAL HA 1 73 VAL MG2 1.800 . 3.980 2.874 2.444 3.439 . 0 0 "[ . 1 . 2]" 1
666 1 46 VAL HB 1 47 VAL H 1.800 . 3.310 2.507 2.355 2.996 . 0 0 "[ . 1 . 2]" 1
667 1 46 VAL MG1 1 47 VAL H 1.800 . 4.420 3.691 3.487 3.839 . 0 0 "[ . 1 . 2]" 1
668 1 46 VAL MG1 1 70 PHE QD 1.800 . 6.050 5.595 5.347 5.897 . 0 0 "[ . 1 . 2]" 1
669 1 46 VAL MG2 1 47 VAL H 1.800 . 4.300 3.554 3.211 3.967 . 0 0 "[ . 1 . 2]" 1
670 1 46 VAL MG2 1 48 GLY H 1.800 . 5.130 4.128 3.739 4.609 . 0 0 "[ . 1 . 2]" 1
671 1 46 VAL MG2 1 49 GLY QA 1.800 . 3.200 2.061 1.916 2.162 . 0 0 "[ . 1 . 2]" 1
672 1 46 VAL MG2 1 49 GLY H 1.800 . 3.510 2.288 2.029 3.122 . 0 0 "[ . 1 . 2]" 1
673 1 46 VAL MG2 1 50 ARG H 1.800 . 5.040 4.149 3.626 4.391 . 0 0 "[ . 1 . 2]" 1
674 1 46 VAL MG2 1 70 PHE QD 1.800 . 5.280 4.094 3.723 4.339 . 0 0 "[ . 1 . 2]" 1
675 1 46 VAL H 1 46 VAL MG1 1.800 . 4.070 3.272 2.945 3.400 . 0 0 "[ . 1 . 2]" 1
676 1 46 VAL H 1 46 VAL MG2 1.800 . 3.740 2.417 2.356 2.488 . 0 0 "[ . 1 . 2]" 1
677 1 46 VAL H 1 47 VAL H 1.800 . 5.200 4.370 4.267 4.428 . 0 0 "[ . 1 . 2]" 1
678 1 46 VAL H 1 70 PHE QD 1.800 . 4.320 2.958 2.524 3.492 . 0 0 "[ . 1 . 2]" 1
679 1 46 VAL H 1 73 VAL MG2 1.800 . 4.850 3.331 2.911 3.670 . 0 0 "[ . 1 . 2]" 1
680 1 47 VAL HA 1 47 VAL MG1 1.800 . 3.510 2.451 2.399 2.530 . 0 0 "[ . 1 . 2]" 1
681 1 47 VAL HA 1 47 VAL MG2 1.800 . 3.450 2.483 2.416 2.541 . 0 0 "[ . 1 . 2]" 1
682 1 47 VAL HA 1 48 GLY QA 1.800 . 5.800 3.963 3.932 3.983 . 0 0 "[ . 1 . 2]" 1
683 1 47 VAL HA 1 48 GLY H 1.800 . 3.030 2.161 2.132 2.182 . 0 0 "[ . 1 . 2]" 1
684 1 47 VAL HA 1 49 GLY H 1.800 . 4.090 3.546 3.352 3.679 . 0 0 "[ . 1 . 2]" 1
685 1 47 VAL HA 1 70 PHE QB 1.800 . 4.610 3.177 2.481 3.469 . 0 0 "[ . 1 . 2]" 1
686 1 47 VAL HA 1 73 VAL MG2 1.800 . 4.430 2.773 2.506 3.134 . 0 0 "[ . 1 . 2]" 1
687 1 47 VAL HB 1 48 GLY QA 1.800 . 6.050 4.676 4.561 4.753 . 0 0 "[ . 1 . 2]" 1
688 1 47 VAL MG1 1 48 GLY H 1.800 . 3.810 3.187 2.845 3.330 . 0 0 "[ . 1 . 2]" 1
689 1 47 VAL MG1 1 49 GLY H 1.800 . 5.430 4.804 4.563 4.924 . 0 0 "[ . 1 . 2]" 1
690 1 47 VAL MG1 1 71 THR HA 1.800 . 4.060 3.645 2.279 4.140 0.080 4 0 "[ . 1 . 2]" 1
691 1 47 VAL MG1 1 72 ARG H 1.800 . 5.370 4.293 3.921 4.739 . 0 0 "[ . 1 . 2]" 1
692 1 47 VAL MG1 1 73 VAL H 1.800 . 6.010 3.696 3.043 4.192 . 0 0 "[ . 1 . 2]" 1
693 1 47 VAL MG2 1 48 GLY H 1.800 . 4.610 4.261 4.138 4.328 . 0 0 "[ . 1 . 2]" 1
694 1 47 VAL MG2 1 72 ARG HA 1.800 . 3.510 2.810 1.853 3.428 . 0 0 "[ . 1 . 2]" 1
695 1 47 VAL MG2 1 72 ARG H 1.800 . 5.540 4.528 3.932 5.162 . 0 0 "[ . 1 . 2]" 1
696 1 47 VAL MG2 1 73 VAL HB 1.800 . 4.100 2.537 2.267 3.114 . 0 0 "[ . 1 . 2]" 1
697 1 47 VAL MG2 1 73 VAL MG2 1.800 . 3.400 2.583 1.971 3.063 . 0 0 "[ . 1 . 2]" 1
698 1 47 VAL MG2 1 73 VAL H 1.800 . 3.410 2.061 1.711 2.619 0.089 1 0 "[ . 1 . 2]" 1
699 1 47 VAL H 1 47 VAL HB 1.800 . 3.170 2.585 2.478 2.674 . 0 0 "[ . 1 . 2]" 1
700 1 47 VAL H 1 47 VAL MG1 1.800 . 4.320 3.831 3.809 3.855 . 0 0 "[ . 1 . 2]" 1
701 1 47 VAL H 1 47 VAL MG2 1.800 . 3.100 2.116 2.004 2.224 . 0 0 "[ . 1 . 2]" 1
702 1 47 VAL H 1 73 VAL MG2 1.800 . 4.150 3.395 3.102 3.802 . 0 0 "[ . 1 . 2]" 1
703 1 48 GLY HA3 1 69 THR MG 1.800 . 4.720 4.072 3.698 4.514 . 0 0 "[ . 1 . 2]" 1
704 1 48 GLY HA2 1 69 THR MG 1.800 . 4.720 2.834 2.453 3.284 . 0 0 "[ . 1 . 2]" 1
705 1 48 GLY H 1 69 THR MG 1.800 . 4.330 3.595 3.112 4.022 . 0 0 "[ . 1 . 2]" 1
706 1 48 GLY H 1 70 PHE HB3 1.800 . 4.710 4.056 3.557 4.442 . 0 0 "[ . 1 . 2]" 1
707 1 48 GLY H 1 70 PHE HB2 1.800 . 4.710 3.102 2.740 3.461 . 0 0 "[ . 1 . 2]" 1
708 1 48 GLY H 1 70 PHE QD 1.800 . 5.200 4.809 4.397 5.129 . 0 0 "[ . 1 . 2]" 1
709 1 48 GLY H 1 70 PHE H 1.800 . 4.590 4.360 3.708 4.649 0.059 4 0 "[ . 1 . 2]" 1
710 1 48 GLY H 1 71 THR HA 1.800 . 4.580 3.834 3.611 4.128 . 0 0 "[ . 1 . 2]" 1
711 1 48 GLY H 1 72 ARG H 1.800 . 6.050 5.224 4.426 5.983 . 0 0 "[ . 1 . 2]" 1
712 1 49 GLY QA 1 50 ARG H 1.800 . 3.200 2.255 2.188 2.327 . 0 0 "[ . 1 . 2]" 1
713 1 49 GLY QA 1 69 THR MG 1.800 . 5.400 3.723 3.495 3.976 . 0 0 "[ . 1 . 2]" 1
714 1 49 GLY QA 1 70 PHE H 1.800 . 4.970 4.247 3.687 4.422 . 0 0 "[ . 1 . 2]" 1
715 1 49 GLY H 1 50 ARG H 1.800 . 5.180 4.573 4.299 4.637 . 0 0 "[ . 1 . 2]" 1
716 1 49 GLY H 1 69 THR MG 1.800 . 4.650 3.925 3.624 4.366 . 0 0 "[ . 1 . 2]" 1
717 1 49 GLY H 1 70 PHE HB3 1.800 . 5.520 4.699 3.560 5.127 . 0 0 "[ . 1 . 2]" 1
718 1 49 GLY H 1 70 PHE HB2 1.800 . 5.520 3.144 2.073 3.500 . 0 0 "[ . 1 . 2]" 1
719 1 49 GLY H 1 70 PHE QD 1.800 . 4.470 3.822 3.279 4.121 . 0 0 "[ . 1 . 2]" 1
720 1 49 GLY H 1 70 PHE H 1.800 . 4.530 4.258 3.457 4.530 0.000 10 0 "[ . 1 . 2]" 1
721 1 50 ARG HA 1 50 ARG QD 1.800 . 4.170 3.922 2.218 4.555 0.385 13 0 "[ . 1 . 2]" 1
722 1 50 ARG HA 1 51 PHE H 1.800 . 3.560 2.301 2.229 2.428 . 0 0 "[ . 1 . 2]" 1
723 1 50 ARG HA 1 69 THR HA 1.800 . 3.770 2.106 1.854 2.768 . 0 0 "[ . 1 . 2]" 1
724 1 50 ARG HA 1 69 THR MG 1.800 . 4.700 3.363 2.706 4.019 . 0 0 "[ . 1 . 2]" 1
725 1 50 ARG HA 1 70 PHE H 1.800 . 4.500 2.998 2.528 3.621 . 0 0 "[ . 1 . 2]" 1
726 1 50 ARG QB 1 50 ARG QD 1.800 . 3.560 2.326 2.127 2.820 . 0 0 "[ . 1 . 2]" 1
727 1 50 ARG QB 1 51 PHE HA 1.800 . 5.870 4.042 3.611 4.574 . 0 0 "[ . 1 . 2]" 1
728 1 50 ARG QB 1 51 PHE H 1.800 . 4.160 2.766 2.261 3.657 . 0 0 "[ . 1 . 2]" 1
729 1 50 ARG QD 1 51 PHE H 1.800 . 5.870 4.672 3.753 5.511 . 0 0 "[ . 1 . 2]" 1
730 1 50 ARG QG 1 69 THR HA 1.800 . 4.400 2.996 2.058 4.580 0.180 9 0 "[ . 1 . 2]" 1
731 1 50 ARG QG 1 69 THR MG 1.800 . 4.220 3.033 2.178 4.397 0.177 4 0 "[ . 1 . 2]" 1
732 1 50 ARG H 1 50 ARG QB 1.800 . 3.480 2.606 2.403 3.240 . 0 0 "[ . 1 . 2]" 1
733 1 50 ARG H 1 50 ARG QG 1.800 . 4.290 3.239 2.531 4.180 . 0 0 "[ . 1 . 2]" 1
734 1 50 ARG H 1 51 PHE H 1.800 . 5.720 4.478 4.320 4.569 . 0 0 "[ . 1 . 2]" 1
735 1 50 ARG H 1 69 THR HA 1.800 . 5.300 4.653 4.489 4.889 . 0 0 "[ . 1 . 2]" 1
736 1 51 PHE HA 1 51 PHE QD 1.800 . 4.620 3.797 3.782 3.820 . 0 0 "[ . 1 . 2]" 1
737 1 51 PHE HA 1 52 CYS H 1.800 . 3.500 2.305 2.135 2.408 . 0 0 "[ . 1 . 2]" 1
738 1 51 PHE QB 1 52 CYS H 1.800 . 3.950 2.721 2.405 3.401 . 0 0 "[ . 1 . 2]" 1
739 1 51 PHE QB 1 70 PHE QE 1.800 . 4.520 2.491 2.222 2.862 . 0 0 "[ . 1 . 2]" 1
740 1 51 PHE QD 1 52 CYS H 1.800 . 4.870 3.614 3.000 4.545 . 0 0 "[ . 1 . 2]" 1
741 1 51 PHE QD 1 53 HIS HD1 1.800 . 4.720 2.677 1.846 3.341 . 0 0 "[ . 1 . 2]" 1
742 1 51 PHE QD 1 70 PHE QE 1.800 . 5.310 3.164 2.754 3.434 . 0 0 "[ . 1 . 2]" 1
743 1 51 PHE H 1 51 PHE QD 1.800 . 4.360 2.668 2.429 3.000 . 0 0 "[ . 1 . 2]" 1
744 1 51 PHE H 1 52 CYS H 1.800 . 6.050 4.406 4.191 4.498 . 0 0 "[ . 1 . 2]" 1
745 1 51 PHE H 1 68 GLY H 1.800 . 4.600 3.005 2.656 3.351 . 0 0 "[ . 1 . 2]" 1
746 1 51 PHE H 1 69 THR HA 1.800 . 4.920 3.472 2.900 4.057 . 0 0 "[ . 1 . 2]" 1
747 1 52 CYS HA 1 53 HIS H 1.800 . 3.900 2.202 2.145 2.252 . 0 0 "[ . 1 . 2]" 1
748 1 52 CYS HA 1 67 THR HB 1.800 . 4.480 3.572 2.319 4.447 . 0 0 "[ . 1 . 2]" 1
749 1 52 CYS HA 1 67 THR MG 1.800 . 4.100 2.995 1.838 4.262 0.162 9 0 "[ . 1 . 2]" 1
750 1 52 CYS HA 1 68 GLY H 1.800 . 5.680 3.911 3.594 4.238 . 0 0 "[ . 1 . 2]" 1
751 1 52 CYS QB 1 67 THR MG 1.800 . 4.340 2.814 1.787 4.370 0.030 18 0 "[ . 1 . 2]" 1
752 1 53 HIS HA 1 54 HIS H 1.800 . 3.700 2.255 2.182 2.398 . 0 0 "[ . 1 . 2]" 1
753 1 53 HIS QB 1 66 PHE QB 1.800 . 5.260 1.884 1.733 2.341 0.067 16 0 "[ . 1 . 2]" 1
754 1 53 HIS HD2 1 66 PHE QD 1.800 . 4.690 3.805 1.707 4.832 0.142 6 0 "[ . 1 . 2]" 1
755 1 53 HIS H 1 67 THR HA 1.800 . 5.500 3.445 2.887 3.743 . 0 0 "[ . 1 . 2]" 1
756 1 53 HIS H 1 67 THR MG 1.800 . 5.490 3.978 2.506 4.918 . 0 0 "[ . 1 . 2]" 1
757 1 54 HIS HA 1 55 MET H 1.800 . 3.720 2.176 2.064 2.295 . 0 0 "[ . 1 . 2]" 1
758 1 54 HIS HA 1 65 ASP HA 1.800 . 4.140 2.441 1.888 2.926 . 0 0 "[ . 1 . 2]" 1
759 1 54 HIS HA 1 66 PHE H 1.800 . 5.050 3.586 3.001 4.103 . 0 0 "[ . 1 . 2]" 1
760 1 55 MET ME 1 124 ILE MD 1.800 . 4.370 3.559 2.450 4.383 0.013 8 0 "[ . 1 . 2]" 1
761 1 55 MET ME 1 55 MET QG 1.800 . 3.650 2.419 2.219 2.591 . 0 0 "[ . 1 . 2]" 1
762 1 55 MET QG 1 64 PHE H 1.800 . 5.540 4.568 2.362 5.367 . 0 0 "[ . 1 . 2]" 1
763 1 55 MET H 1 55 MET QG 1.800 . 4.630 2.978 2.222 4.108 . 0 0 "[ . 1 . 2]" 1
764 1 55 MET H 1 64 PHE H 1.800 . 4.770 3.693 3.011 4.265 . 0 0 "[ . 1 . 2]" 1
765 1 55 MET H 1 65 ASP HA 1.800 . 4.810 3.071 2.635 3.615 . 0 0 "[ . 1 . 2]" 1
766 1 55 MET H 1 66 PHE H 1.800 . 6.050 3.971 3.357 4.801 . 0 0 "[ . 1 . 2]" 1
767 1 56 ALA HA 1 63 GLY QA 1.800 . 4.540 2.144 1.846 2.593 . 0 0 "[ . 1 . 2]" 1
768 1 56 ALA HA 1 64 PHE H 1.800 . 5.870 3.628 3.071 3.964 . 0 0 "[ . 1 . 2]" 1
769 1 56 ALA MB 1 57 ALA H 1.800 . 4.280 2.856 2.431 3.221 . 0 0 "[ . 1 . 2]" 1
770 1 56 ALA MB 1 63 GLY QA 1.800 . 4.080 3.060 2.353 3.920 . 0 0 "[ . 1 . 2]" 1
771 1 57 ALA MB 1 58 LYS H 1.800 . 4.270 2.656 2.081 3.311 . 0 0 "[ . 1 . 2]" 1
772 1 57 ALA MB 1 59 ASP H 1.800 . 3.710 2.856 2.363 3.525 . 0 0 "[ . 1 . 2]" 1
773 1 57 ALA MB 1 60 GLY HA3 1.800 . 5.590 4.061 2.190 5.428 . 0 0 "[ . 1 . 2]" 1
774 1 57 ALA MB 1 60 GLY HA2 1.800 . 5.590 3.748 3.033 4.231 . 0 0 "[ . 1 . 2]" 1
775 1 57 ALA MB 1 60 GLY H 1.800 . 4.070 2.629 2.112 3.348 . 0 0 "[ . 1 . 2]" 1
776 1 57 ALA MB 1 61 SER H 1.800 . 4.100 3.595 1.932 4.318 0.218 2 0 "[ . 1 . 2]" 1
777 1 57 ALA MB 1 62 ALA MB 1.800 . 3.950 2.605 1.986 3.781 . 0 0 "[ . 1 . 2]" 1
778 1 57 ALA MB 1 62 ALA H 1.800 . 4.630 2.807 2.040 3.419 . 0 0 "[ . 1 . 2]" 1
779 1 57 ALA MB 1 63 GLY QA 1.800 . 5.870 4.378 3.971 4.693 . 0 0 "[ . 1 . 2]" 1
780 1 58 LYS QB 1 59 ASP H 1.800 . 3.860 3.056 2.196 3.700 . 0 0 "[ . 1 . 2]" 1
781 1 58 LYS QE 1 58 LYS QG 1.800 . 3.700 2.357 2.149 2.870 . 0 0 "[ . 1 . 2]" 1
782 1 58 LYS H 1 58 LYS HD3 1.800 . 5.920 4.560 3.346 5.976 0.056 8 0 "[ . 1 . 2]" 1
783 1 58 LYS H 1 58 LYS HD2 1.800 . 5.920 4.649 3.749 5.231 . 0 0 "[ . 1 . 2]" 1
784 1 58 LYS H 1 58 LYS QE 1.800 . 5.680 4.822 3.922 5.938 0.258 16 0 "[ . 1 . 2]" 1
785 1 58 LYS H 1 58 LYS QG 1.800 . 4.610 2.709 2.042 4.039 . 0 0 "[ . 1 . 2]" 1
786 1 58 LYS H 1 59 ASP H 1.800 . 4.090 2.646 2.160 3.048 . 0 0 "[ . 1 . 2]" 1
787 1 59 ASP H 1 59 ASP QB 1.800 . 3.540 2.534 2.269 2.835 . 0 0 "[ . 1 . 2]" 1
788 1 60 GLY HA3 1 62 ALA H 1.800 . 6.050 4.337 3.001 5.241 . 0 0 "[ . 1 . 2]" 1
789 1 60 GLY HA2 1 62 ALA H 1.800 . 6.050 4.038 3.392 4.982 . 0 0 "[ . 1 . 2]" 1
790 1 60 GLY H 1 61 SER H 1.800 . 4.420 3.280 2.213 4.500 0.080 11 0 "[ . 1 . 2]" 1
791 1 61 SER H 1 61 SER HB3 1.800 . 4.250 2.850 2.409 3.664 . 0 0 "[ . 1 . 2]" 1
792 1 61 SER H 1 61 SER HB2 1.800 . 4.250 2.770 2.449 3.643 . 0 0 "[ . 1 . 2]" 1
793 1 61 SER H 1 62 ALA H 1.800 . 4.030 2.571 2.328 2.876 . 0 0 "[ . 1 . 2]" 1
794 1 62 ALA HA 1 63 GLY H 1.800 . 3.170 2.258 2.162 2.578 . 0 0 "[ . 1 . 2]" 1
795 1 62 ALA MB 1 63 GLY QA 1.800 . 5.070 3.825 3.583 3.976 . 0 0 "[ . 1 . 2]" 1
796 1 62 ALA MB 1 63 GLY H 1.800 . 3.440 2.922 2.224 3.430 . 0 0 "[ . 1 . 2]" 1
797 1 62 ALA H 1 63 GLY H 1.800 . 5.310 4.496 4.365 4.668 . 0 0 "[ . 1 . 2]" 1
798 1 64 PHE HA 1 64 PHE QD 1.800 . 4.730 2.764 2.330 3.191 . 0 0 "[ . 1 . 2]" 1
799 1 64 PHE HA 1 65 ASP H 1.800 . 3.480 2.250 2.140 2.480 . 0 0 "[ . 1 . 2]" 1
800 1 64 PHE QB 1 65 ASP H 1.800 . 3.820 3.347 2.162 3.858 0.038 9 0 "[ . 1 . 2]" 1
801 1 64 PHE QD 1 65 ASP H 1.800 . 4.890 3.691 2.951 4.461 . 0 0 "[ . 1 . 2]" 1
802 1 64 PHE H 1 65 ASP H 1.800 . 4.910 4.342 4.138 4.535 . 0 0 "[ . 1 . 2]" 1
803 1 65 ASP HA 1 66 PHE H 1.800 . 3.880 2.185 2.113 2.271 . 0 0 "[ . 1 . 2]" 1
804 1 65 ASP QB 1 67 THR MG 1.800 . 4.180 2.692 1.798 3.949 0.002 8 0 "[ . 1 . 2]" 1
805 1 65 ASP H 1 65 ASP QB 1.800 . 3.700 2.570 2.321 3.147 . 0 0 "[ . 1 . 2]" 1
806 1 65 ASP H 1 66 PHE H 1.800 . 6.050 4.378 4.092 4.595 . 0 0 "[ . 1 . 2]" 1
807 1 65 ASP H 1 67 THR MG 1.800 . 6.050 5.133 4.336 6.031 . 0 0 "[ . 1 . 2]" 1
808 1 66 PHE HA 1 66 PHE QD 1.800 . 4.520 2.814 2.231 3.188 . 0 0 "[ . 1 . 2]" 1
809 1 66 PHE HA 1 67 THR H 1.800 . 3.360 2.262 2.184 2.342 . 0 0 "[ . 1 . 2]" 1
810 1 66 PHE QD 1 67 THR H 1.800 . 5.000 4.531 3.438 4.946 . 0 0 "[ . 1 . 2]" 1
811 1 66 PHE H 1 67 THR H 1.800 . 5.600 3.791 3.535 4.065 . 0 0 "[ . 1 . 2]" 1
812 1 67 THR HA 1 67 THR MG 1.800 . 4.060 2.654 2.304 3.265 . 0 0 "[ . 1 . 2]" 1
813 1 67 THR HB 1 68 GLY H 1.800 . 4.620 3.116 2.247 4.045 . 0 0 "[ . 1 . 2]" 1
814 1 67 THR MG 1 68 GLY H 1.800 . 4.860 3.804 3.344 4.202 . 0 0 "[ . 1 . 2]" 1
815 1 67 THR H 1 67 THR MG 1.800 . 3.810 2.462 2.036 2.831 . 0 0 "[ . 1 . 2]" 1
816 1 67 THR H 1 68 GLY H 1.800 . 5.720 4.515 4.173 4.630 . 0 0 "[ . 1 . 2]" 1
817 1 68 GLY QA 1 69 THR H 1.800 . 3.100 2.239 2.138 2.300 . 0 0 "[ . 1 . 2]" 1
818 1 68 GLY QA 1 81 PHE QD 1.800 . 4.990 3.675 2.330 4.841 . 0 0 "[ . 1 . 2]" 1
819 1 68 GLY QA 1 84 ASP H 1.800 . 5.570 3.125 2.286 4.713 . 0 0 "[ . 1 . 2]" 1
820 1 68 GLY HA3 1 83 MET HA 1.800 . 4.480 2.526 1.793 4.219 0.007 14 0 "[ . 1 . 2]" 1
821 1 68 GLY HA2 1 83 MET HA 1.800 . 4.480 2.556 1.886 3.450 . 0 0 "[ . 1 . 2]" 1
822 1 69 THR HA 1 69 THR MG 1.800 . 3.650 2.431 2.388 2.528 . 0 0 "[ . 1 . 2]" 1
823 1 69 THR HA 1 70 PHE QB 1.800 . 5.210 4.473 4.428 4.529 . 0 0 "[ . 1 . 2]" 1
824 1 69 THR HA 1 70 PHE H 1.800 . 3.290 2.190 2.164 2.231 . 0 0 "[ . 1 . 2]" 1
825 1 69 THR HB 1 70 PHE H 1.800 . 5.040 4.251 4.165 4.322 . 0 0 "[ . 1 . 2]" 1
826 1 69 THR HB 1 82 VAL HB 1.800 . 5.620 3.845 2.673 4.601 . 0 0 "[ . 1 . 2]" 1
827 1 69 THR HB 1 82 VAL H 1.800 . 4.580 3.881 3.062 4.421 . 0 0 "[ . 1 . 2]" 1
828 1 69 THR MG 1 70 PHE QB 1.800 . 5.260 3.934 3.701 4.086 . 0 0 "[ . 1 . 2]" 1
829 1 69 THR MG 1 70 PHE H 1.800 . 3.550 2.879 2.653 3.005 . 0 0 "[ . 1 . 2]" 1
830 1 69 THR H 1 69 THR HB 1.800 . 3.790 2.695 2.512 2.843 . 0 0 "[ . 1 . 2]" 1
831 1 69 THR H 1 69 THR MG 1.800 . 4.860 3.906 3.819 3.971 . 0 0 "[ . 1 . 2]" 1
832 1 69 THR H 1 70 PHE H 1.800 . 5.060 4.321 4.161 4.464 . 0 0 "[ . 1 . 2]" 1
833 1 69 THR H 1 81 PHE HA 1.800 . 5.480 4.783 4.374 5.365 . 0 0 "[ . 1 . 2]" 1
834 1 69 THR H 1 81 PHE QB 1.800 . 4.980 3.591 2.669 4.365 . 0 0 "[ . 1 . 2]" 1
835 1 69 THR H 1 81 PHE QD 1.800 . 5.250 4.697 3.822 5.353 0.103 14 0 "[ . 1 . 2]" 1
836 1 69 THR H 1 82 VAL HB 1.800 . 5.380 3.923 3.178 4.514 . 0 0 "[ . 1 . 2]" 1
837 1 69 THR H 1 82 VAL MG1 1.800 . 4.740 4.568 3.931 4.812 0.072 12 0 "[ . 1 . 2]" 1
838 1 69 THR H 1 82 VAL H 1.800 . 3.890 3.088 2.555 3.502 . 0 0 "[ . 1 . 2]" 1
839 1 69 THR H 1 83 MET HA 1.800 . 4.730 3.692 3.102 4.350 . 0 0 "[ . 1 . 2]" 1
840 1 70 PHE HA 1 70 PHE QD 1.800 . 4.170 2.646 2.416 2.940 . 0 0 "[ . 1 . 2]" 1
841 1 70 PHE HA 1 70 PHE QE 1.800 . 5.530 4.599 4.498 4.722 . 0 0 "[ . 1 . 2]" 1
842 1 70 PHE HA 1 71 THR H 1.800 . 3.790 2.142 2.114 2.212 . 0 0 "[ . 1 . 2]" 1
843 1 70 PHE HA 1 72 ARG H 1.800 . 4.590 3.644 3.430 4.048 . 0 0 "[ . 1 . 2]" 1
844 1 70 PHE HA 1 81 PHE HA 1.800 . 4.090 2.424 2.140 2.694 . 0 0 "[ . 1 . 2]" 1
845 1 70 PHE HA 1 81 PHE HB3 1.800 . 4.690 2.038 1.764 2.773 0.036 9 0 "[ . 1 . 2]" 1
846 1 70 PHE HA 1 81 PHE HB2 1.800 . 4.690 2.951 2.624 3.569 . 0 0 "[ . 1 . 2]" 1
847 1 70 PHE HA 1 81 PHE QD 1.800 . 6.050 4.032 3.709 4.645 . 0 0 "[ . 1 . 2]" 1
848 1 70 PHE HA 1 82 VAL H 1.800 . 4.430 3.896 3.453 4.217 . 0 0 "[ . 1 . 2]" 1
849 1 70 PHE QB 1 72 ARG H 1.800 . 4.550 3.480 3.258 3.991 . 0 0 "[ . 1 . 2]" 1
850 1 70 PHE QB 1 79 LEU MD1 1.800 . 5.030 3.111 2.810 3.580 . 0 0 "[ . 1 . 2]" 1
851 1 70 PHE HB3 1 71 THR H 1.800 . 5.570 3.510 3.273 3.733 . 0 0 "[ . 1 . 2]" 1
852 1 70 PHE HB3 1 73 VAL MG2 1.800 . 4.220 2.296 2.038 2.552 . 0 0 "[ . 1 . 2]" 1
853 1 70 PHE HB2 1 71 THR H 1.800 . 5.570 4.299 4.206 4.406 . 0 0 "[ . 1 . 2]" 1
854 1 70 PHE HB2 1 73 VAL MG2 1.800 . 4.220 3.134 2.915 3.357 . 0 0 "[ . 1 . 2]" 1
855 1 70 PHE QD 1 71 THR H 1.800 . 4.980 4.192 3.922 4.501 . 0 0 "[ . 1 . 2]" 1
856 1 70 PHE QD 1 73 VAL MG2 1.800 . 4.400 3.226 2.435 3.550 . 0 0 "[ . 1 . 2]" 1
857 1 70 PHE QD 1 79 LEU MD1 1.800 . 4.060 2.194 1.838 2.529 . 0 0 "[ . 1 . 2]" 1
858 1 70 PHE QD 1 80 SER H 1.800 . 5.430 4.252 3.779 4.708 . 0 0 "[ . 1 . 2]" 1
859 1 70 PHE QD 1 81 PHE HA 1.800 . 4.820 4.249 3.907 4.884 0.064 10 0 "[ . 1 . 2]" 1
860 1 70 PHE QD 1 81 PHE HB3 1.800 . 4.820 2.345 1.935 3.501 . 0 0 "[ . 1 . 2]" 1
861 1 70 PHE QD 1 81 PHE HB2 1.800 . 4.820 3.852 3.414 4.826 0.006 6 0 "[ . 1 . 2]" 1
862 1 70 PHE QE 1 73 VAL MG2 1.800 . 6.050 4.413 3.730 4.718 . 0 0 "[ . 1 . 2]" 1
863 1 70 PHE QE 1 79 LEU MD1 1.800 . 4.360 2.944 2.093 3.288 . 0 0 "[ . 1 . 2]" 1
864 1 70 PHE QE 1 79 LEU MD2 1.800 . 4.190 1.995 1.724 2.366 0.076 6 0 "[ . 1 . 2]" 1
865 1 70 PHE QE 1 81 PHE QB 1.800 . 5.180 3.633 3.311 4.237 . 0 0 "[ . 1 . 2]" 1
866 1 70 PHE H 1 70 PHE HB3 1.800 . 4.230 3.604 3.580 3.644 . 0 0 "[ . 1 . 2]" 1
867 1 70 PHE H 1 70 PHE HB2 1.800 . 4.230 2.529 2.468 2.598 . 0 0 "[ . 1 . 2]" 1
868 1 70 PHE H 1 70 PHE QD 1.800 . 3.980 2.707 2.273 2.982 . 0 0 "[ . 1 . 2]" 1
869 1 70 PHE H 1 73 VAL MG2 1.800 . 6.050 5.078 4.820 5.353 . 0 0 "[ . 1 . 2]" 1
870 1 71 THR HA 1 71 THR MG 1.800 . 3.230 2.438 2.301 3.263 0.033 17 0 "[ . 1 . 2]" 1
871 1 71 THR HB 1 72 ARG H 1.800 . 5.570 3.888 3.368 4.339 . 0 0 "[ . 1 . 2]" 1
872 1 71 THR MG 1 72 ARG H 1.800 . 4.660 3.968 2.756 4.257 . 0 0 "[ . 1 . 2]" 1
873 1 71 THR MG 1 81 PHE HA 1.800 . 4.050 2.711 2.226 3.416 . 0 0 "[ . 1 . 2]" 1
874 1 71 THR MG 1 82 VAL HB 1.800 . 3.810 3.191 2.617 3.982 0.172 20 0 "[ . 1 . 2]" 1
875 1 71 THR MG 1 82 VAL H 1.800 . 4.200 2.789 2.213 3.524 . 0 0 "[ . 1 . 2]" 1
876 1 71 THR H 1 71 THR MG 1.800 . 4.250 2.594 1.936 2.903 . 0 0 "[ . 1 . 2]" 1
877 1 71 THR H 1 72 ARG H 1.800 . 3.290 2.222 1.961 2.364 . 0 0 "[ . 1 . 2]" 1
878 1 71 THR H 1 80 SER H 1.800 . 5.740 4.615 4.245 4.911 . 0 0 "[ . 1 . 2]" 1
879 1 71 THR H 1 81 PHE HA 1.800 . 3.960 2.033 1.892 2.481 . 0 0 "[ . 1 . 2]" 1
880 1 71 THR H 1 81 PHE HB3 1.800 . 5.300 3.387 3.135 4.085 . 0 0 "[ . 1 . 2]" 1
881 1 71 THR H 1 81 PHE HB2 1.800 . 5.300 4.134 3.865 4.708 . 0 0 "[ . 1 . 2]" 1
882 1 71 THR H 1 81 PHE H 1.800 . 5.050 4.198 3.985 4.376 . 0 0 "[ . 1 . 2]" 1
883 1 71 THR H 1 82 VAL MG2 1.800 . 4.850 4.326 3.807 4.655 . 0 0 "[ . 1 . 2]" 1
884 1 71 THR H 1 82 VAL H 1.800 . 5.070 3.831 3.447 4.352 . 0 0 "[ . 1 . 2]" 1
885 1 72 ARG HA 1 72 ARG QG 1.800 . 3.960 2.625 2.498 2.979 . 0 0 "[ . 1 . 2]" 1
886 1 72 ARG HA 1 73 VAL MG2 1.800 . 5.140 3.740 3.595 3.864 . 0 0 "[ . 1 . 2]" 1
887 1 72 ARG HA 1 73 VAL H 1.800 . 3.070 2.189 2.128 2.269 . 0 0 "[ . 1 . 2]" 1
888 1 72 ARG HB3 1 73 VAL H 1.800 . 4.960 4.240 2.809 4.463 . 0 0 "[ . 1 . 2]" 1
889 1 72 ARG HB3 1 80 SER QB 1.800 . 4.250 1.893 1.688 3.669 0.112 1 0 "[ . 1 . 2]" 1
890 1 72 ARG HB3 1 80 SER H 1.800 . 5.470 3.569 2.800 4.543 . 0 0 "[ . 1 . 2]" 1
891 1 72 ARG HB2 1 73 VAL H 1.800 . 4.960 4.306 3.898 4.470 . 0 0 "[ . 1 . 2]" 1
892 1 72 ARG HB2 1 80 SER QB 1.800 . 4.250 3.108 2.028 3.484 . 0 0 "[ . 1 . 2]" 1
893 1 72 ARG HB2 1 80 SER H 1.800 . 5.470 5.029 3.420 5.532 0.062 10 0 "[ . 1 . 2]" 1
894 1 72 ARG QD 1 73 VAL H 1.800 . 5.670 4.832 2.888 5.306 . 0 0 "[ . 1 . 2]" 1
895 1 72 ARG QG 1 73 VAL H 1.800 . 4.270 3.111 2.441 4.459 0.189 19 0 "[ . 1 . 2]" 1
896 1 72 ARG H 1 73 VAL MG2 1.800 . 4.460 3.700 3.243 4.010 . 0 0 "[ . 1 . 2]" 1
897 1 72 ARG H 1 73 VAL H 1.800 . 4.810 4.076 3.896 4.382 . 0 0 "[ . 1 . 2]" 1
898 1 72 ARG H 1 79 LEU HA 1.800 . 6.050 5.268 4.923 5.570 . 0 0 "[ . 1 . 2]" 1
899 1 72 ARG H 1 80 SER QB 1.800 . 4.260 2.763 1.962 3.213 . 0 0 "[ . 1 . 2]" 1
900 1 72 ARG H 1 80 SER H 1.800 . 4.220 3.451 3.257 3.708 . 0 0 "[ . 1 . 2]" 1
901 1 72 ARG H 1 81 PHE HA 1.800 . 4.880 3.905 3.611 4.110 . 0 0 "[ . 1 . 2]" 1
902 1 73 VAL HA 1 73 VAL MG1 1.800 . 3.340 2.446 2.384 2.559 . 0 0 "[ . 1 . 2]" 1
903 1 73 VAL HA 1 73 VAL MG2 1.800 . 3.530 2.503 2.402 2.567 . 0 0 "[ . 1 . 2]" 1
904 1 73 VAL HA 1 74 GLU H 1.800 . 3.150 2.188 2.134 2.226 . 0 0 "[ . 1 . 2]" 1
905 1 73 VAL HA 1 79 LEU HA 1.800 . 4.160 2.854 2.633 3.086 . 0 0 "[ . 1 . 2]" 1
906 1 73 VAL HA 1 79 LEU MD1 1.800 . 4.180 2.327 1.973 2.522 . 0 0 "[ . 1 . 2]" 1
907 1 73 VAL HA 1 80 SER H 1.800 . 4.920 3.501 3.226 3.799 . 0 0 "[ . 1 . 2]" 1
908 1 73 VAL MG1 1 74 GLU HA 1.800 . 4.770 3.850 3.437 4.109 . 0 0 "[ . 1 . 2]" 1
909 1 73 VAL MG1 1 74 GLU H 1.800 . 3.930 3.280 3.012 3.450 . 0 0 "[ . 1 . 2]" 1
910 1 73 VAL MG1 1 75 ALA MB 1.800 . 4.300 2.654 2.169 3.261 . 0 0 "[ . 1 . 2]" 1
911 1 73 VAL MG1 1 75 ALA H 1.800 . 3.880 2.820 2.349 3.101 . 0 0 "[ . 1 . 2]" 1
912 1 73 VAL MG1 1 79 LEU QB 1.800 . 4.990 4.208 3.796 4.995 0.005 19 0 "[ . 1 . 2]" 1
913 1 73 VAL MG2 1 74 GLU H 1.800 . 4.810 4.314 4.178 4.379 . 0 0 "[ . 1 . 2]" 1
914 1 73 VAL MG2 1 79 LEU HA 1.800 . 5.060 4.184 3.858 4.546 . 0 0 "[ . 1 . 2]" 1
915 1 73 VAL MG2 1 79 LEU MD1 1.800 . 3.690 2.145 1.988 2.372 . 0 0 "[ . 1 . 2]" 1
916 1 73 VAL MG2 1 80 SER H 1.800 . 4.910 4.070 3.487 4.521 . 0 0 "[ . 1 . 2]" 1
917 1 73 VAL H 1 73 VAL HB 1.800 . 3.780 2.746 2.618 2.900 . 0 0 "[ . 1 . 2]" 1
918 1 73 VAL H 1 73 VAL MG2 1.800 . 3.990 2.746 2.563 3.158 . 0 0 "[ . 1 . 2]" 1
919 1 73 VAL H 1 74 GLU H 1.800 . 4.700 4.037 3.772 4.201 . 0 0 "[ . 1 . 2]" 1
920 1 74 GLU HA 1 74 GLU QG 1.800 . 3.630 2.631 2.383 3.157 . 0 0 "[ . 1 . 2]" 1
921 1 74 GLU HA 1 75 ALA MB 1.800 . 5.020 4.189 4.066 4.403 . 0 0 "[ . 1 . 2]" 1
922 1 74 GLU HA 1 75 ALA H 1.800 . 3.190 2.365 2.225 2.640 . 0 0 "[ . 1 . 2]" 1
923 1 74 GLU QB 1 78 ARG H 1.800 . 5.100 2.996 2.266 3.505 . 0 0 "[ . 1 . 2]" 1
924 1 74 GLU QG 1 75 ALA H 1.800 . 5.540 4.445 3.835 5.006 . 0 0 "[ . 1 . 2]" 1
925 1 74 GLU H 1 74 GLU QB 1.800 . 3.520 2.539 2.377 2.686 . 0 0 "[ . 1 . 2]" 1
926 1 74 GLU H 1 74 GLU QG 1.800 . 5.240 3.408 2.578 4.297 . 0 0 "[ . 1 . 2]" 1
927 1 74 GLU H 1 75 ALA MB 1.800 . 4.820 4.638 4.377 4.863 0.043 18 0 "[ . 1 . 2]" 1
928 1 74 GLU H 1 75 ALA H 1.800 . 4.350 3.629 3.408 3.813 . 0 0 "[ . 1 . 2]" 1
929 1 74 GLU H 1 78 ARG H 1.800 . 4.680 3.984 3.482 4.193 . 0 0 "[ . 1 . 2]" 1
930 1 74 GLU H 1 79 LEU HA 1.800 . 4.590 3.036 2.695 3.465 . 0 0 "[ . 1 . 2]" 1
931 1 74 GLU H 1 79 LEU MD1 1.800 . 4.770 3.564 3.228 3.871 . 0 0 "[ . 1 . 2]" 1
932 1 74 GLU H 1 79 LEU H 1.800 . 5.570 4.899 4.699 5.210 . 0 0 "[ . 1 . 2]" 1
933 1 75 ALA HA 1 76 PRO HA 1.800 . 3.550 1.903 1.800 2.014 0.000 17 0 "[ . 1 . 2]" 1
934 1 75 ALA HA 1 76 PRO QB 1.800 . 5.200 3.732 3.569 3.874 . 0 0 "[ . 1 . 2]" 1
935 1 75 ALA HA 1 77 THR H 1.800 . 3.880 3.149 2.857 3.400 . 0 0 "[ . 1 . 2]" 1
936 1 75 ALA HA 1 78 ARG H 1.800 . 4.390 3.675 3.119 4.348 . 0 0 "[ . 1 . 2]" 1
937 1 75 ALA MB 1 76 PRO HA 1.800 . 3.900 2.818 2.547 3.023 . 0 0 "[ . 1 . 2]" 1
938 1 75 ALA MB 1 76 PRO QD 1.800 . 5.080 3.804 3.704 3.885 . 0 0 "[ . 1 . 2]" 1
939 1 75 ALA MB 1 77 THR H 1.800 . 4.510 4.372 4.193 4.516 0.006 9 0 "[ . 1 . 2]" 1
940 1 75 ALA H 1 75 ALA MB 1.800 . 2.870 2.230 2.201 2.271 . 0 0 "[ . 1 . 2]" 1
941 1 75 ALA H 1 76 PRO HA 1.800 . 5.290 4.672 4.588 4.743 . 0 0 "[ . 1 . 2]" 1
942 1 76 PRO HA 1 78 ARG H 1.800 . 5.970 4.147 3.821 4.867 . 0 0 "[ . 1 . 2]" 1
943 1 76 PRO QD 1 77 THR H 1.800 . 4.190 2.684 2.531 2.875 . 0 0 "[ . 1 . 2]" 1
944 1 77 THR HA 1 77 THR MG 1.800 . 3.360 2.437 2.253 3.254 . 0 0 "[ . 1 . 2]" 1
945 1 77 THR HA 1 93 PHE HB3 1.800 . 5.680 4.196 3.581 5.064 . 0 0 "[ . 1 . 2]" 1
946 1 77 THR HA 1 93 PHE HB2 1.800 . 5.680 2.783 2.169 3.622 . 0 0 "[ . 1 . 2]" 1
947 1 77 THR HA 1 93 PHE QD 1.800 . 4.920 4.144 3.624 4.793 . 0 0 "[ . 1 . 2]" 1
948 1 77 THR HA 1 93 PHE H 1.800 . 4.210 3.824 3.467 4.252 0.042 3 0 "[ . 1 . 2]" 1
949 1 77 THR HB 1 78 ARG H 1.800 . 4.540 3.682 2.312 4.460 . 0 0 "[ . 1 . 2]" 1
950 1 77 THR HB 1 93 PHE H 1.800 . 5.640 4.994 4.295 5.701 0.061 3 0 "[ . 1 . 2]" 1
951 1 77 THR MG 1 78 ARG H 1.800 . 4.690 3.972 2.974 4.385 . 0 0 "[ . 1 . 2]" 1
952 1 77 THR MG 1 93 PHE QB 1.800 . 5.630 4.350 3.638 5.038 . 0 0 "[ . 1 . 2]" 1
953 1 77 THR MG 1 93 PHE H 1.800 . 5.250 4.928 3.885 5.394 0.144 13 0 "[ . 1 . 2]" 1
954 1 77 THR MG 1 94 ALA HA 1.800 . 5.480 4.553 3.397 5.684 0.204 16 0 "[ . 1 . 2]" 1
955 1 77 THR MG 1 95 SER H 1.800 . 5.620 4.594 3.294 5.781 0.161 16 0 "[ . 1 . 2]" 1
956 1 77 THR H 1 77 THR MG 1.800 . 3.690 2.790 1.977 3.781 0.091 3 0 "[ . 1 . 2]" 1
957 1 77 THR H 1 78 ARG H 1.800 . 3.290 2.539 2.375 2.735 . 0 0 "[ . 1 . 2]" 1
958 1 78 ARG HA 1 78 ARG QD 1.800 . 4.640 4.076 3.281 4.321 . 0 0 "[ . 1 . 2]" 1
959 1 78 ARG HA 1 78 ARG QG 1.800 . 3.970 2.457 2.309 2.708 . 0 0 "[ . 1 . 2]" 1
960 1 78 ARG HA 1 79 LEU H 1.800 . 3.280 2.236 2.155 2.359 . 0 0 "[ . 1 . 2]" 1
961 1 78 ARG HA 1 92 GLN HA 1.800 . 4.090 2.339 1.866 2.875 . 0 0 "[ . 1 . 2]" 1
962 1 78 ARG HA 1 93 PHE QD 1.800 . 4.360 2.564 2.058 3.635 . 0 0 "[ . 1 . 2]" 1
963 1 78 ARG HA 1 93 PHE H 1.800 . 4.590 2.781 2.341 3.310 . 0 0 "[ . 1 . 2]" 1
964 1 78 ARG QB 1 78 ARG QD 1.800 . 3.360 2.264 2.141 2.443 . 0 0 "[ . 1 . 2]" 1
965 1 78 ARG QB 1 78 ARG HE 1.800 . 5.170 3.308 1.969 4.308 . 0 0 "[ . 1 . 2]" 1
966 1 78 ARG QB 1 79 LEU H 1.800 . 4.610 3.278 2.327 3.606 . 0 0 "[ . 1 . 2]" 1
967 1 78 ARG QD 1 79 LEU H 1.800 . 5.270 4.483 2.370 5.313 0.043 18 0 "[ . 1 . 2]" 1
968 1 78 ARG HE 1 92 GLN QG 1.800 . 5.560 4.124 2.345 5.642 0.082 4 0 "[ . 1 . 2]" 1
969 1 78 ARG QG 1 79 LEU H 1.800 . 3.990 2.810 2.013 3.944 . 0 0 "[ . 1 . 2]" 1
970 1 78 ARG QG 1 92 GLN HA 1.800 . 4.700 2.471 1.882 3.576 . 0 0 "[ . 1 . 2]" 1
971 1 78 ARG QG 1 92 GLN QG 1.800 . 4.640 3.078 2.088 4.680 0.040 8 0 "[ . 1 . 2]" 1
972 1 78 ARG QG 1 92 GLN H 1.800 . 5.870 4.519 3.961 5.257 . 0 0 "[ . 1 . 2]" 1
973 1 78 ARG H 1 78 ARG QB 1.800 . 3.640 2.868 2.705 2.988 . 0 0 "[ . 1 . 2]" 1
974 1 78 ARG H 1 78 ARG QG 1.800 . 5.870 4.024 3.119 4.464 . 0 0 "[ . 1 . 2]" 1
975 1 78 ARG H 1 79 LEU H 1.800 . 5.120 4.275 4.170 4.438 . 0 0 "[ . 1 . 2]" 1
976 1 78 ARG H 1 93 PHE QD 1.800 . 5.740 3.639 3.003 4.488 . 0 0 "[ . 1 . 2]" 1
977 1 78 ARG H 1 93 PHE H 1.800 . 5.780 4.441 3.924 4.976 . 0 0 "[ . 1 . 2]" 1
978 1 79 LEU HA 1 79 LEU MD1 1.800 . 3.830 2.041 1.942 2.145 . 0 0 "[ . 1 . 2]" 1
979 1 79 LEU HA 1 79 LEU MD2 1.800 . 5.310 3.903 3.865 3.930 . 0 0 "[ . 1 . 2]" 1
980 1 79 LEU HA 1 80 SER H 1.800 . 3.220 2.179 2.090 2.327 . 0 0 "[ . 1 . 2]" 1
981 1 79 LEU HB3 1 79 LEU MD1 1.800 . 4.190 3.253 3.241 3.260 . 0 0 "[ . 1 . 2]" 1
982 1 79 LEU HB3 1 79 LEU MD2 1.800 . 4.130 2.404 2.349 2.443 . 0 0 "[ . 1 . 2]" 1
983 1 79 LEU HB3 1 80 SER H 1.800 . 5.020 4.139 3.823 4.326 . 0 0 "[ . 1 . 2]" 1
984 1 79 LEU HB2 1 79 LEU MD1 1.800 . 4.190 2.482 2.421 2.523 . 0 0 "[ . 1 . 2]" 1
985 1 79 LEU HB2 1 79 LEU MD2 1.800 . 4.130 2.412 2.378 2.467 . 0 0 "[ . 1 . 2]" 1
986 1 79 LEU HB2 1 80 SER H 1.800 . 5.020 4.275 4.110 4.446 . 0 0 "[ . 1 . 2]" 1
987 1 79 LEU MD1 1 80 SER H 1.800 . 4.130 2.286 1.822 2.701 . 0 0 "[ . 1 . 2]" 1
988 1 79 LEU H 1 79 LEU HB3 1.800 . 4.190 2.833 2.701 2.944 . 0 0 "[ . 1 . 2]" 1
989 1 79 LEU H 1 79 LEU HB2 1.800 . 4.190 3.214 3.117 3.288 . 0 0 "[ . 1 . 2]" 1
990 1 79 LEU H 1 91 VAL HB 1.800 . 6.050 3.566 2.903 4.369 . 0 0 "[ . 1 . 2]" 1
991 1 79 LEU H 1 91 VAL H 1.800 . 4.470 3.473 2.768 3.858 . 0 0 "[ . 1 . 2]" 1
992 1 79 LEU H 1 92 GLN HA 1.800 . 4.850 3.408 2.863 4.012 . 0 0 "[ . 1 . 2]" 1
993 1 80 SER HA 1 81 PHE H 1.800 . 3.300 2.200 2.145 2.267 . 0 0 "[ . 1 . 2]" 1
994 1 80 SER HA 1 90 ASP HA 1.800 . 4.000 2.261 2.041 2.591 . 0 0 "[ . 1 . 2]" 1
995 1 80 SER HA 1 91 VAL H 1.800 . 4.520 3.231 2.716 3.892 . 0 0 "[ . 1 . 2]" 1
996 1 80 SER QB 1 81 PHE H 1.800 . 3.880 3.335 2.932 3.770 . 0 0 "[ . 1 . 2]" 1
997 1 80 SER H 1 91 VAL H 1.800 . 6.050 4.863 4.523 5.186 . 0 0 "[ . 1 . 2]" 1
998 1 81 PHE HA 1 82 VAL MG2 1.800 . 4.830 3.498 3.252 3.714 . 0 0 "[ . 1 . 2]" 1
999 1 81 PHE HA 1 82 VAL H 1.800 . 3.450 2.292 2.181 2.441 . 0 0 "[ . 1 . 2]" 1
1000 1 81 PHE HB3 1 82 VAL H 1.800 . 4.930 3.811 3.629 3.987 . 0 0 "[ . 1 . 2]" 1
1001 1 81 PHE HB2 1 82 VAL H 1.800 . 4.930 2.704 2.406 3.011 . 0 0 "[ . 1 . 2]" 1
1002 1 81 PHE QD 1 82 VAL H 1.800 . 4.540 3.924 3.513 4.192 . 0 0 "[ . 1 . 2]" 1
1003 1 81 PHE QD 1 89 VAL MG1 1.800 . 4.310 4.020 3.647 4.315 0.005 10 0 "[ . 1 . 2]" 1
1004 1 81 PHE QD 1 89 VAL MG2 1.800 . 4.370 3.651 3.346 3.945 . 0 0 "[ . 1 . 2]" 1
1005 1 81 PHE QE 1 83 MET QB 1.800 . 5.570 5.125 3.770 5.762 0.192 9 0 "[ . 1 . 2]" 1
1006 1 81 PHE QE 1 89 VAL MG1 1.800 . 4.420 2.801 2.434 3.025 . 0 0 "[ . 1 . 2]" 1
1007 1 81 PHE QE 1 91 VAL MG2 1.800 . 4.500 2.421 2.200 2.746 . 0 0 "[ . 1 . 2]" 1
1008 1 81 PHE H 1 81 PHE QD 1.800 . 4.440 3.279 3.050 3.462 . 0 0 "[ . 1 . 2]" 1
1009 1 81 PHE H 1 82 VAL MG2 1.800 . 5.120 4.290 3.984 4.561 . 0 0 "[ . 1 . 2]" 1
1010 1 81 PHE H 1 88 GLU HA 1.800 . 6.050 5.074 4.630 5.445 . 0 0 "[ . 1 . 2]" 1
1011 1 81 PHE H 1 89 VAL HB 1.800 . 4.390 3.864 3.250 4.548 0.158 5 0 "[ . 1 . 2]" 1
1012 1 81 PHE H 1 89 VAL MG1 1.800 . 5.040 4.505 3.918 5.094 0.054 10 0 "[ . 1 . 2]" 1
1013 1 81 PHE H 1 89 VAL MG2 1.800 . 6.050 5.009 4.553 5.540 . 0 0 "[ . 1 . 2]" 1
1014 1 81 PHE H 1 89 VAL H 1.800 . 4.130 3.456 3.111 3.889 . 0 0 "[ . 1 . 2]" 1
1015 1 81 PHE H 1 90 ASP HA 1.800 . 4.460 3.422 3.030 3.771 . 0 0 "[ . 1 . 2]" 1
1016 1 81 PHE H 1 91 VAL MG2 1.800 . 6.050 4.928 4.474 5.507 . 0 0 "[ . 1 . 2]" 1
1017 1 82 VAL HA 1 82 VAL MG1 1.800 . 3.920 2.462 2.377 2.565 . 0 0 "[ . 1 . 2]" 1
1018 1 82 VAL HA 1 82 VAL MG2 1.800 . 3.690 2.483 2.429 2.606 . 0 0 "[ . 1 . 2]" 1
1019 1 82 VAL HA 1 83 MET H 1.800 . 3.480 2.201 2.143 2.292 . 0 0 "[ . 1 . 2]" 1
1020 1 82 VAL HA 1 88 GLU HA 1.800 . 3.790 2.159 1.940 2.497 . 0 0 "[ . 1 . 2]" 1
1021 1 82 VAL HA 1 89 VAL H 1.800 . 4.180 2.850 2.509 3.352 . 0 0 "[ . 1 . 2]" 1
1022 1 82 VAL HB 1 83 MET H 1.800 . 4.770 4.119 3.866 4.263 . 0 0 "[ . 1 . 2]" 1
1023 1 82 VAL MG1 1 83 MET H 1.800 . 3.990 2.612 2.369 2.814 . 0 0 "[ . 1 . 2]" 1
1024 1 82 VAL MG1 1 86 GLY QA 1.800 . 3.670 2.686 2.277 3.350 . 0 0 "[ . 1 . 2]" 1
1025 1 82 VAL MG1 1 86 GLY H 1.800 . 4.110 3.368 3.034 3.754 . 0 0 "[ . 1 . 2]" 1
1026 1 82 VAL MG1 1 87 ARG HA 1.800 . 5.380 4.092 3.683 4.434 . 0 0 "[ . 1 . 2]" 1
1027 1 82 VAL MG1 1 87 ARG H 1.800 . 4.680 3.670 3.007 3.955 . 0 0 "[ . 1 . 2]" 1
1028 1 82 VAL MG1 1 88 GLU HA 1.800 . 4.740 2.726 2.222 3.341 . 0 0 "[ . 1 . 2]" 1
1029 1 82 VAL MG1 1 88 GLU QG 1.800 . 4.360 2.942 1.980 4.506 0.146 19 0 "[ . 1 . 2]" 1
1030 1 82 VAL MG2 1 83 MET H 1.800 . 5.140 4.096 3.964 4.199 . 0 0 "[ . 1 . 2]" 1
1031 1 82 VAL MG2 1 88 GLU HA 1.800 . 4.630 2.412 1.874 2.995 . 0 0 "[ . 1 . 2]" 1
1032 1 82 VAL MG2 1 88 GLU QG 1.800 . 3.870 2.076 1.648 3.857 0.152 15 0 "[ . 1 . 2]" 1
1033 1 82 VAL MG2 1 89 VAL H 1.800 . 4.590 3.580 3.124 4.226 . 0 0 "[ . 1 . 2]" 1
1034 1 82 VAL H 1 82 VAL HB 1.800 . 3.860 2.686 2.557 2.832 . 0 0 "[ . 1 . 2]" 1
1035 1 82 VAL H 1 82 VAL MG1 1.800 . 4.290 3.906 3.822 3.974 . 0 0 "[ . 1 . 2]" 1
1036 1 82 VAL H 1 82 VAL MG2 1.800 . 3.300 2.733 2.357 2.888 . 0 0 "[ . 1 . 2]" 1
1037 1 82 VAL H 1 83 MET H 1.800 . 5.630 4.380 4.280 4.444 . 0 0 "[ . 1 . 2]" 1
1038 1 83 MET HA 1 83 MET QG 1.800 . 4.000 2.688 2.379 3.536 . 0 0 "[ . 1 . 2]" 1
1039 1 83 MET HA 1 84 ASP H 1.800 . 3.890 2.445 2.328 2.689 . 0 0 "[ . 1 . 2]" 1
1040 1 83 MET HA 1 85 ASP H 1.800 . 4.840 4.199 3.879 4.570 . 0 0 "[ . 1 . 2]" 1
1041 1 83 MET HB3 1 84 ASP H 1.800 . 5.940 2.909 2.194 3.931 . 0 0 "[ . 1 . 2]" 1
1042 1 83 MET HB2 1 84 ASP H 1.800 . 5.940 3.521 1.929 4.225 . 0 0 "[ . 1 . 2]" 1
1043 1 83 MET ME 1 121 TRP HZ2 1.800 . 3.730 2.894 1.923 3.815 0.085 3 0 "[ . 1 . 2]" 1
1044 1 83 MET ME 1 89 VAL MG2 1.800 . 4.440 2.678 1.752 4.530 0.090 5 0 "[ . 1 . 2]" 1
1045 1 83 MET ME 1 83 MET QG 1.800 . 4.030 2.384 2.222 2.511 . 0 0 "[ . 1 . 2]" 1
1046 1 83 MET H 1 83 MET QG 1.800 . 4.040 2.823 2.243 4.052 0.012 4 0 "[ . 1 . 2]" 1
1047 1 83 MET H 1 84 ASP H 1.800 . 5.540 4.581 4.462 4.657 . 0 0 "[ . 1 . 2]" 1
1048 1 83 MET H 1 87 ARG H 1.800 . 5.030 3.810 3.343 4.480 . 0 0 "[ . 1 . 2]" 1
1049 1 83 MET H 1 89 VAL MG2 1.800 . 5.060 3.512 2.930 4.132 . 0 0 "[ . 1 . 2]" 1
1050 1 84 ASP HA 1 86 GLY H 1.800 . 4.520 3.567 3.324 3.880 . 0 0 "[ . 1 . 2]" 1
1051 1 84 ASP QB 1 85 ASP H 1.800 . 3.870 3.234 2.820 3.840 . 0 0 "[ . 1 . 2]" 1
1052 1 84 ASP H 1 84 ASP QB 1.800 . 3.450 2.348 2.207 2.607 . 0 0 "[ . 1 . 2]" 1
1053 1 84 ASP H 1 85 ASP H 1.800 . 3.920 2.697 2.578 2.836 . 0 0 "[ . 1 . 2]" 1
1054 1 85 ASP QB 1 87 ARG H 1.800 . 4.460 3.018 2.640 4.115 . 0 0 "[ . 1 . 2]" 1
1055 1 85 ASP HB3 1 86 GLY H 1.800 . 5.500 3.888 3.104 4.399 . 0 0 "[ . 1 . 2]" 1
1056 1 85 ASP HB2 1 86 GLY H 1.800 . 5.500 3.974 3.374 4.482 . 0 0 "[ . 1 . 2]" 1
1057 1 85 ASP H 1 85 ASP QB 1.800 . 3.520 2.361 2.151 2.534 . 0 0 "[ . 1 . 2]" 1
1058 1 85 ASP H 1 86 GLY QA 1.800 . 5.430 4.461 4.350 4.567 . 0 0 "[ . 1 . 2]" 1
1059 1 85 ASP H 1 86 GLY H 1.800 . 3.440 2.523 2.355 2.737 . 0 0 "[ . 1 . 2]" 1
1060 1 86 GLY H 1 87 ARG H 1.800 . 3.620 2.547 2.367 2.753 . 0 0 "[ . 1 . 2]" 1
1061 1 87 ARG HA 1 107 ASP QB 1.800 . 4.640 2.728 1.853 4.577 . 0 0 "[ . 1 . 2]" 1
1062 1 87 ARG HA 1 107 ASP H 1.800 . 5.400 4.626 3.623 5.356 . 0 0 "[ . 1 . 2]" 1
1063 1 87 ARG HA 1 87 ARG HG3 1.800 . 4.330 3.242 2.489 3.904 . 0 0 "[ . 1 . 2]" 1
1064 1 87 ARG HA 1 87 ARG HG2 1.800 . 4.330 3.164 2.499 3.799 . 0 0 "[ . 1 . 2]" 1
1065 1 87 ARG HA 1 88 GLU H 1.800 . 3.360 2.189 2.130 2.286 . 0 0 "[ . 1 . 2]" 1
1066 1 87 ARG QB 1 107 ASP H 1.800 . 4.750 3.629 2.925 4.716 . 0 0 "[ . 1 . 2]" 1
1067 1 87 ARG QB 1 87 ARG HE 1.800 . 5.420 3.600 2.245 4.371 . 0 0 "[ . 1 . 2]" 1
1068 1 87 ARG QB 1 88 GLU H 1.800 . 4.570 3.337 2.714 3.642 . 0 0 "[ . 1 . 2]" 1
1069 1 87 ARG QG 1 88 GLU H 1.800 . 5.440 4.436 3.891 4.965 . 0 0 "[ . 1 . 2]" 1
1070 1 87 ARG H 1 87 ARG QB 1.800 . 3.490 2.460 2.255 2.629 . 0 0 "[ . 1 . 2]" 1
1071 1 87 ARG H 1 87 ARG QD 1.800 . 4.950 3.411 2.094 4.455 . 0 0 "[ . 1 . 2]" 1
1072 1 87 ARG H 1 87 ARG HE 1.800 . 4.990 4.454 2.936 5.057 0.067 8 0 "[ . 1 . 2]" 1
1073 1 87 ARG H 1 87 ARG QG 1.800 . 3.700 2.666 2.058 3.602 . 0 0 "[ . 1 . 2]" 1
1074 1 87 ARG H 1 88 GLU H 1.800 . 5.090 4.464 4.341 4.631 . 0 0 "[ . 1 . 2]" 1
1075 1 88 GLU HA 1 89 VAL H 1.800 . 3.120 2.194 2.101 2.294 . 0 0 "[ . 1 . 2]" 1
1076 1 88 GLU QB 1 89 VAL H 1.800 . 3.860 3.319 2.871 3.813 . 0 0 "[ . 1 . 2]" 1
1077 1 88 GLU QG 1 89 VAL H 1.800 . 4.690 3.835 2.529 4.468 . 0 0 "[ . 1 . 2]" 1
1078 1 88 GLU H 1 107 ASP QB 1.800 . 3.930 2.330 1.727 4.078 0.148 10 0 "[ . 1 . 2]" 1
1079 1 88 GLU H 1 107 ASP H 1.800 . 4.650 3.684 3.053 4.184 . 0 0 "[ . 1 . 2]" 1
1080 1 88 GLU H 1 88 GLU QB 1.800 . 3.440 2.447 2.236 2.622 . 0 0 "[ . 1 . 2]" 1
1081 1 88 GLU H 1 88 GLU QG 1.800 . 4.030 2.947 2.118 4.117 0.087 2 0 "[ . 1 . 2]" 1
1082 1 89 VAL HA 1 106 PHE HA 1.800 . 3.970 2.125 1.861 2.506 . 0 0 "[ . 1 . 2]" 1
1083 1 89 VAL HA 1 106 PHE QB 1.800 . 4.830 3.206 2.388 3.679 . 0 0 "[ . 1 . 2]" 1
1084 1 89 VAL HA 1 107 ASP H 1.800 . 4.540 3.472 2.540 4.227 . 0 0 "[ . 1 . 2]" 1
1085 1 89 VAL HA 1 89 VAL MG1 1.800 . 3.750 2.424 2.343 2.503 . 0 0 "[ . 1 . 2]" 1
1086 1 89 VAL HA 1 89 VAL MG2 1.800 . 3.960 2.526 2.408 2.590 . 0 0 "[ . 1 . 2]" 1
1087 1 89 VAL HA 1 90 ASP H 1.800 . 3.190 2.190 2.130 2.239 . 0 0 "[ . 1 . 2]" 1
1088 1 89 VAL HB 1 90 ASP H 1.800 . 5.070 4.144 3.861 4.255 . 0 0 "[ . 1 . 2]" 1
1089 1 89 VAL MG1 1 104 GLU QG 1.800 . 3.920 2.695 2.087 3.680 . 0 0 "[ . 1 . 2]" 1
1090 1 89 VAL MG1 1 105 THR H 1.800 . 4.840 3.881 3.246 4.507 . 0 0 "[ . 1 . 2]" 1
1091 1 89 VAL MG1 1 106 PHE QB 1.800 . 4.020 2.197 1.765 2.554 0.035 6 0 "[ . 1 . 2]" 1
1092 1 89 VAL MG1 1 107 ASP H 1.800 . 5.780 4.640 4.046 5.257 . 0 0 "[ . 1 . 2]" 1
1093 1 89 VAL MG1 1 90 ASP H 1.800 . 3.550 2.729 2.370 3.007 . 0 0 "[ . 1 . 2]" 1
1094 1 89 VAL MG1 1 91 VAL MG1 1.800 . 5.280 4.494 4.210 4.959 . 0 0 "[ . 1 . 2]" 1
1095 1 89 VAL MG2 1 106 PHE HA 1.800 . 4.490 2.802 2.320 3.479 . 0 0 "[ . 1 . 2]" 1
1096 1 89 VAL MG2 1 106 PHE QB 1.800 . 3.690 2.202 1.987 2.504 . 0 0 "[ . 1 . 2]" 1
1097 1 89 VAL MG2 1 106 PHE QD 1.800 . 5.040 4.083 3.711 4.368 . 0 0 "[ . 1 . 2]" 1
1098 1 89 VAL MG2 1 107 ASP H 1.800 . 4.360 3.251 2.791 3.883 . 0 0 "[ . 1 . 2]" 1
1099 1 89 VAL MG2 1 90 ASP H 1.800 . 4.870 4.192 4.079 4.299 . 0 0 "[ . 1 . 2]" 1
1100 1 89 VAL H 1 106 PHE QB 1.800 . 6.050 5.274 4.654 5.647 . 0 0 "[ . 1 . 2]" 1
1101 1 89 VAL H 1 89 VAL HB 1.800 . 3.760 2.769 2.526 2.962 . 0 0 "[ . 1 . 2]" 1
1102 1 89 VAL H 1 89 VAL MG1 1.800 . 4.520 3.940 3.828 4.010 . 0 0 "[ . 1 . 2]" 1
1103 1 89 VAL H 1 89 VAL MG2 1.800 . 3.830 2.719 2.429 2.975 . 0 0 "[ . 1 . 2]" 1
1104 1 90 ASP HA 1 91 VAL MG2 1.800 . 4.830 3.551 3.307 3.879 . 0 0 "[ . 1 . 2]" 1
1105 1 90 ASP HA 1 91 VAL H 1.800 . 3.390 2.169 2.096 2.303 . 0 0 "[ . 1 . 2]" 1
1106 1 90 ASP QB 1 105 THR MG 1.800 . 4.580 3.781 3.187 4.603 0.023 12 0 "[ . 1 . 2]" 1
1107 1 90 ASP QB 1 105 THR H 1.800 . 5.790 3.736 2.972 4.992 . 0 0 "[ . 1 . 2]" 1
1108 1 90 ASP HB3 1 105 THR HB 1.800 . 4.550 3.048 2.185 4.556 0.006 12 0 "[ . 1 . 2]" 1
1109 1 90 ASP HB2 1 105 THR HB 1.800 . 4.550 3.957 2.360 4.656 0.106 2 0 "[ . 1 . 2]" 1
1110 1 90 ASP H 1 105 THR HB 1.800 . 4.640 3.466 2.613 4.167 . 0 0 "[ . 1 . 2]" 1
1111 1 90 ASP H 1 105 THR H 1.800 . 4.080 3.206 2.720 3.905 . 0 0 "[ . 1 . 2]" 1
1112 1 90 ASP H 1 106 PHE HA 1.800 . 4.480 3.418 2.961 3.859 . 0 0 "[ . 1 . 2]" 1
1113 1 90 ASP H 1 90 ASP QB 1.800 . 3.610 2.577 2.412 3.017 . 0 0 "[ . 1 . 2]" 1
1114 1 90 ASP H 1 91 VAL MG2 1.800 . 5.150 3.952 3.679 4.191 . 0 0 "[ . 1 . 2]" 1
1115 1 90 ASP H 1 91 VAL H 1.800 . 5.270 4.079 3.845 4.374 . 0 0 "[ . 1 . 2]" 1
1116 1 91 VAL HA 1 104 GLU HA 1.800 . 3.840 2.173 1.956 2.355 . 0 0 "[ . 1 . 2]" 1
1117 1 91 VAL HA 1 104 GLU QG 1.800 . 4.710 3.514 2.410 4.715 0.005 8 0 "[ . 1 . 2]" 1
1118 1 91 VAL HA 1 105 THR H 1.800 . 4.420 3.279 2.492 3.959 . 0 0 "[ . 1 . 2]" 1
1119 1 91 VAL HA 1 91 VAL MG1 1.800 . 3.710 2.383 2.322 2.418 . 0 0 "[ . 1 . 2]" 1
1120 1 91 VAL HA 1 91 VAL MG2 1.800 . 3.760 2.566 2.492 2.683 . 0 0 "[ . 1 . 2]" 1
1121 1 91 VAL HA 1 92 GLN H 1.800 . 3.060 2.183 2.116 2.393 . 0 0 "[ . 1 . 2]" 1
1122 1 91 VAL HB 1 92 GLN H 1.800 . 4.770 4.203 3.718 4.371 . 0 0 "[ . 1 . 2]" 1
1123 1 91 VAL MG1 1 102 VAL MG1 1.800 . 3.620 2.276 2.100 2.894 . 0 0 "[ . 1 . 2]" 1
1124 1 91 VAL MG1 1 103 GLN H 1.800 . 4.600 3.795 2.942 4.502 . 0 0 "[ . 1 . 2]" 1
1125 1 91 VAL MG1 1 104 GLU HA 1.800 . 4.630 3.023 2.193 3.782 . 0 0 "[ . 1 . 2]" 1
1126 1 91 VAL MG1 1 104 GLU QB 1.800 . 4.770 2.761 2.427 4.008 . 0 0 "[ . 1 . 2]" 1
1127 1 91 VAL MG1 1 104 GLU QG 1.800 . 4.410 3.301 2.282 4.166 . 0 0 "[ . 1 . 2]" 1
1128 1 91 VAL MG1 1 92 GLN H 1.800 . 3.640 2.954 2.081 3.276 . 0 0 "[ . 1 . 2]" 1
1129 1 91 VAL MG1 1 93 PHE QE 1.800 . 4.580 2.903 2.733 3.025 . 0 0 "[ . 1 . 2]" 1
1130 1 91 VAL MG1 1 93 PHE HZ 1.800 . 4.330 2.695 2.575 2.860 . 0 0 "[ . 1 . 2]" 1
1131 1 91 VAL MG2 1 104 GLU HA 1.800 . 4.430 2.981 2.389 3.804 . 0 0 "[ . 1 . 2]" 1
1132 1 91 VAL MG2 1 104 GLU QG 1.800 . 4.650 2.051 1.765 3.950 0.035 16 0 "[ . 1 . 2]" 1
1133 1 91 VAL MG2 1 92 GLN H 1.800 . 4.860 4.287 4.070 4.445 . 0 0 "[ . 1 . 2]" 1
1134 1 91 VAL MG2 1 93 PHE QE 1.800 . 5.680 4.320 4.009 4.723 . 0 0 "[ . 1 . 2]" 1
1135 1 91 VAL H 1 91 VAL HB 1.800 . 4.030 2.698 2.590 2.824 . 0 0 "[ . 1 . 2]" 1
1136 1 91 VAL H 1 91 VAL MG1 1.800 . 4.840 3.888 3.824 3.962 . 0 0 "[ . 1 . 2]" 1
1137 1 91 VAL H 1 91 VAL MG2 1.800 . 3.890 2.352 2.008 2.809 . 0 0 "[ . 1 . 2]" 1
1138 1 92 GLN HA 1 92 GLN QG 1.800 . 3.880 2.713 2.473 3.402 . 0 0 "[ . 1 . 2]" 1
1139 1 92 GLN HA 1 93 PHE H 1.800 . 3.100 2.194 2.103 2.261 . 0 0 "[ . 1 . 2]" 1
1140 1 92 GLN QB 1 92 GLN QE 1.800 . 5.150 3.134 1.895 3.757 . 0 0 "[ . 1 . 2]" 1
1141 1 92 GLN QB 1 93 PHE H 1.800 . 4.050 3.404 2.728 3.896 . 0 0 "[ . 1 . 2]" 1
1142 1 92 GLN QG 1 93 PHE H 1.800 . 4.680 3.660 2.570 4.509 . 0 0 "[ . 1 . 2]" 1
1143 1 92 GLN H 1 102 VAL MG1 1.800 . 5.440 4.019 3.563 4.650 . 0 0 "[ . 1 . 2]" 1
1144 1 92 GLN H 1 103 GLN H 1.800 . 4.040 3.223 2.784 3.615 . 0 0 "[ . 1 . 2]" 1
1145 1 92 GLN H 1 104 GLU HA 1.800 . 4.230 3.410 2.963 3.742 . 0 0 "[ . 1 . 2]" 1
1146 1 92 GLN H 1 92 GLN QB 1.800 . 3.580 2.524 2.254 3.238 . 0 0 "[ . 1 . 2]" 1
1147 1 92 GLN H 1 92 GLN HG3 1.800 . 5.210 3.744 2.409 4.807 . 0 0 "[ . 1 . 2]" 1
1148 1 92 GLN H 1 92 GLN HG2 1.800 . 5.210 3.923 2.137 4.752 . 0 0 "[ . 1 . 2]" 1
1149 1 92 GLN H 1 93 PHE QD 1.800 . 6.050 5.044 4.614 5.309 . 0 0 "[ . 1 . 2]" 1
1150 1 92 GLN H 1 93 PHE H 1.800 . 6.050 4.409 4.241 4.529 . 0 0 "[ . 1 . 2]" 1
1151 1 93 PHE HA 1 100 THR MG 1.800 . 4.600 3.006 2.650 3.346 . 0 0 "[ . 1 . 2]" 1
1152 1 93 PHE HA 1 102 VAL HA 1.800 . 3.640 2.458 2.237 2.696 . 0 0 "[ . 1 . 2]" 1
1153 1 93 PHE HA 1 102 VAL MG2 1.800 . 4.640 3.049 2.684 3.764 . 0 0 "[ . 1 . 2]" 1
1154 1 93 PHE HA 1 103 GLN H 1.800 . 4.510 3.719 3.446 4.030 . 0 0 "[ . 1 . 2]" 1
1155 1 93 PHE HA 1 93 PHE QD 1.800 . 4.370 3.128 3.029 3.235 . 0 0 "[ . 1 . 2]" 1
1156 1 93 PHE HA 1 94 ALA MB 1.800 . 4.460 4.079 3.863 4.147 . 0 0 "[ . 1 . 2]" 1
1157 1 93 PHE HA 1 94 ALA H 1.800 . 3.010 2.209 2.144 2.378 . 0 0 "[ . 1 . 2]" 1
1158 1 93 PHE HB3 1 100 THR MG 1.800 . 4.810 2.454 2.120 2.734 . 0 0 "[ . 1 . 2]" 1
1159 1 93 PHE HB3 1 94 ALA H 1.800 . 4.750 3.739 2.612 4.038 . 0 0 "[ . 1 . 2]" 1
1160 1 93 PHE HB2 1 100 THR MG 1.800 . 4.810 3.806 3.456 4.116 . 0 0 "[ . 1 . 2]" 1
1161 1 93 PHE HB2 1 94 ALA H 1.800 . 4.750 4.340 3.646 4.477 . 0 0 "[ . 1 . 2]" 1
1162 1 93 PHE QD 1 100 THR MG 1.800 . 3.770 2.814 2.294 3.132 . 0 0 "[ . 1 . 2]" 1
1163 1 93 PHE QD 1 102 VAL HA 1.800 . 4.860 3.963 3.117 4.333 . 0 0 "[ . 1 . 2]" 1
1164 1 93 PHE QD 1 102 VAL MG1 1.800 . 4.570 3.097 2.704 3.425 . 0 0 "[ . 1 . 2]" 1
1165 1 93 PHE QD 1 102 VAL MG2 1.800 . 3.520 2.111 1.924 2.465 . 0 0 "[ . 1 . 2]" 1
1166 1 93 PHE QE 1 102 VAL MG1 1.800 . 4.750 2.902 2.329 3.236 . 0 0 "[ . 1 . 2]" 1
1167 1 93 PHE QE 1 102 VAL MG2 1.800 . 4.510 3.134 2.863 3.484 . 0 0 "[ . 1 . 2]" 1
1168 1 93 PHE H 1 100 THR MG 1.800 . 6.050 5.085 4.879 5.406 . 0 0 "[ . 1 . 2]" 1
1169 1 93 PHE H 1 93 PHE QD 1.800 . 3.850 2.528 2.323 2.905 . 0 0 "[ . 1 . 2]" 1
1170 1 93 PHE H 1 93 PHE QE 1.800 . 5.420 4.588 4.428 4.896 . 0 0 "[ . 1 . 2]" 1
1171 1 94 ALA HA 1 101 TRP QB 1.800 . 4.990 4.760 4.442 5.038 0.048 7 0 "[ . 1 . 2]" 1
1172 1 94 ALA HA 1 95 SER H 1.800 . 2.850 2.196 2.148 2.254 . 0 0 "[ . 1 . 2]" 1
1173 1 94 ALA MB 1 101 TRP HA 1.800 . 5.940 4.556 4.270 5.278 . 0 0 "[ . 1 . 2]" 1
1174 1 94 ALA MB 1 101 TRP HB3 1.800 . 4.150 2.093 1.779 2.714 0.021 1 0 "[ . 1 . 2]" 1
1175 1 94 ALA MB 1 101 TRP HB2 1.800 . 4.150 3.628 3.251 4.212 0.062 13 0 "[ . 1 . 2]" 1
1176 1 94 ALA MB 1 101 TRP HD1 1.800 . 6.050 5.339 4.996 5.924 . 0 0 "[ . 1 . 2]" 1
1177 1 94 ALA MB 1 101 TRP HE3 1.800 . 3.750 2.381 1.744 3.233 0.056 13 0 "[ . 1 . 2]" 1
1178 1 94 ALA MB 1 101 TRP H 1.800 . 4.250 3.273 2.851 3.897 . 0 0 "[ . 1 . 2]" 1
1179 1 94 ALA MB 1 95 SER H 1.800 . 3.830 3.382 3.044 3.608 . 0 0 "[ . 1 . 2]" 1
1180 1 94 ALA H 1 100 THR HA 1.800 . 5.460 4.656 4.129 5.351 . 0 0 "[ . 1 . 2]" 1
1181 1 94 ALA H 1 100 THR MG 1.800 . 3.520 2.997 2.202 3.551 0.031 12 0 "[ . 1 . 2]" 1
1182 1 94 ALA H 1 101 TRP HB3 1.800 . 5.300 3.623 3.281 3.924 . 0 0 "[ . 1 . 2]" 1
1183 1 94 ALA H 1 101 TRP HB2 1.800 . 5.300 5.102 4.851 5.343 0.043 5 0 "[ . 1 . 2]" 1
1184 1 94 ALA H 1 101 TRP H 1.800 . 3.820 3.617 3.372 3.880 0.060 5 0 "[ . 1 . 2]" 1
1185 1 94 ALA H 1 102 VAL HA 1.800 . 4.770 3.352 2.820 3.947 . 0 0 "[ . 1 . 2]" 1
1186 1 94 ALA H 1 94 ALA MB 1.800 . 3.310 2.396 2.295 2.784 . 0 0 "[ . 1 . 2]" 1
1187 1 95 SER HA 1 100 THR HA 1.800 . 4.050 2.604 1.943 3.030 . 0 0 "[ . 1 . 2]" 1
1188 1 95 SER HA 1 101 TRP H 1.800 . 4.650 3.822 2.862 4.307 . 0 0 "[ . 1 . 2]" 1
1189 1 95 SER HA 1 96 GLU H 1.800 . 3.070 2.208 2.115 2.288 . 0 0 "[ . 1 . 2]" 1
1190 1 95 SER QB 1 96 GLU H 1.800 . 4.170 3.264 2.768 3.775 . 0 0 "[ . 1 . 2]" 1
1191 1 95 SER H 1 100 THR MG 1.800 . 5.210 3.921 3.235 4.752 . 0 0 "[ . 1 . 2]" 1
1192 1 95 SER H 1 95 SER QB 1.800 . 3.160 2.438 2.231 2.648 . 0 0 "[ . 1 . 2]" 1
1193 1 96 GLU HA 1 97 PRO QD 1.800 . 3.420 2.135 1.981 2.246 . 0 0 "[ . 1 . 2]" 1
1194 1 96 GLU QB 1 101 TRP H 1.800 . 5.870 3.764 3.118 4.434 . 0 0 "[ . 1 . 2]" 1
1195 1 96 GLU QB 1 97 PRO QD 1.800 . 3.550 2.321 2.119 2.623 . 0 0 "[ . 1 . 2]" 1
1196 1 96 GLU HB3 1 97 PRO HD3 1.800 . 5.160 4.072 3.177 4.806 . 0 0 "[ . 1 . 2]" 1
1197 1 96 GLU HB3 1 97 PRO HD2 1.800 . 5.160 3.194 2.181 4.107 . 0 0 "[ . 1 . 2]" 1
1198 1 96 GLU HB2 1 97 PRO HD3 1.800 . 5.160 4.024 3.061 5.034 . 0 0 "[ . 1 . 2]" 1
1199 1 96 GLU HB2 1 97 PRO HD2 1.800 . 5.160 2.997 2.167 4.151 . 0 0 "[ . 1 . 2]" 1
1200 1 96 GLU QG 1 101 TRP H 1.800 . 5.690 2.444 1.902 3.312 . 0 0 "[ . 1 . 2]" 1
1201 1 96 GLU QG 1 97 PRO QD 1.800 . 4.940 3.804 3.175 4.067 . 0 0 "[ . 1 . 2]" 1
1202 1 96 GLU HG3 1 100 THR HA 1.800 . 5.210 3.726 2.374 4.930 . 0 0 "[ . 1 . 2]" 1
1203 1 96 GLU QG 1 98 GLY H 1.800 . 6.050 4.022 2.154 6.121 0.071 16 0 "[ . 1 . 2]" 1
1204 1 96 GLU QG 1 99 GLY H 1.800 . 4.740 3.051 1.722 4.805 0.078 6 0 "[ . 1 . 2]" 1
1205 1 96 GLU HG2 1 100 THR HA 1.800 . 5.210 3.090 2.344 5.054 . 0 0 "[ . 1 . 2]" 1
1206 1 96 GLU H 1 100 THR HA 1.800 . 3.970 2.964 2.377 3.602 . 0 0 "[ . 1 . 2]" 1
1207 1 96 GLU H 1 100 THR MG 1.800 . 5.210 4.492 4.158 5.196 . 0 0 "[ . 1 . 2]" 1
1208 1 96 GLU H 1 101 TRP H 1.800 . 4.790 4.114 3.523 4.851 0.061 18 0 "[ . 1 . 2]" 1
1209 1 96 GLU H 1 96 GLU HG3 1.800 . 4.130 3.243 2.536 4.257 0.127 4 0 "[ . 1 . 2]" 1
1210 1 96 GLU H 1 96 GLU HG2 1.800 . 4.130 2.957 2.382 4.282 0.152 18 0 "[ . 1 . 2]" 1
1211 1 96 GLU H 1 99 GLY H 1.800 . 4.640 3.513 3.292 3.756 . 0 0 "[ . 1 . 2]" 1
1212 1 97 PRO HA 1 98 GLY H 1.800 . 3.520 2.829 2.236 3.551 0.031 6 0 "[ . 1 . 2]" 1
1213 1 97 PRO HA 1 99 GLY H 1.800 . 4.300 4.139 3.908 4.606 0.306 14 0 "[ . 1 . 2]" 1
1214 1 98 GLY H 1 99 GLY H 1.800 . 3.620 2.323 2.101 2.527 . 0 0 "[ . 1 . 2]" 1
1215 1 99 GLY QA 1 100 THR H 1.800 . 3.340 2.160 2.111 2.241 . 0 0 "[ . 1 . 2]" 1
1216 1 99 GLY H 1 100 THR H 1.800 . 4.870 4.159 3.893 4.452 . 0 0 "[ . 1 . 2]" 1
1217 1 100 THR HA 1 100 THR MG 1.800 . 3.670 2.455 2.403 2.530 . 0 0 "[ . 1 . 2]" 1
1218 1 100 THR HA 1 101 TRP H 1.800 . 3.150 2.158 2.110 2.191 . 0 0 "[ . 1 . 2]" 1
1219 1 100 THR HB 1 101 TRP H 1.800 . 5.090 4.339 4.152 4.428 . 0 0 "[ . 1 . 2]" 1
1220 1 100 THR MG 1 101 TRP H 1.800 . 3.630 3.050 2.677 3.210 . 0 0 "[ . 1 . 2]" 1
1221 1 100 THR MG 1 102 VAL MG2 1.800 . 4.090 2.272 1.982 2.571 . 0 0 "[ . 1 . 2]" 1
1222 1 100 THR MG 1 102 VAL H 1.800 . 5.250 3.713 3.462 4.146 . 0 0 "[ . 1 . 2]" 1
1223 1 100 THR H 1 100 THR HB 1.800 . 3.950 2.879 2.595 2.982 . 0 0 "[ . 1 . 2]" 1
1224 1 100 THR H 1 100 THR MG 1.800 . 4.640 3.978 3.860 4.025 . 0 0 "[ . 1 . 2]" 1
1225 1 101 TRP HA 1 101 TRP HD1 1.800 . 3.710 2.422 2.136 2.732 . 0 0 "[ . 1 . 2]" 1
1226 1 101 TRP HA 1 102 VAL HB 1.800 . 6.050 4.740 4.632 4.861 . 0 0 "[ . 1 . 2]" 1
1227 1 101 TRP HA 1 102 VAL MG2 1.800 . 5.180 3.779 3.515 3.945 . 0 0 "[ . 1 . 2]" 1
1228 1 101 TRP HA 1 102 VAL H 1.800 . 3.250 2.187 2.133 2.232 . 0 0 "[ . 1 . 2]" 1
1229 1 101 TRP QB 1 101 TRP HZ3 1.800 . 5.590 4.645 4.577 4.690 . 0 0 "[ . 1 . 2]" 1
1230 1 101 TRP HB3 1 102 VAL H 1.800 . 5.240 4.428 4.215 4.532 . 0 0 "[ . 1 . 2]" 1
1231 1 101 TRP HB2 1 102 VAL H 1.800 . 5.240 4.490 4.139 4.607 . 0 0 "[ . 1 . 2]" 1
1232 1 101 TRP HD1 1 102 VAL HB 1.800 . 6.050 5.448 4.818 5.891 . 0 0 "[ . 1 . 2]" 1
1233 1 101 TRP HD1 1 102 VAL H 1.800 . 3.730 3.399 3.039 3.873 0.143 4 0 "[ . 1 . 2]" 1
1234 1 101 TRP HE1 1 102 VAL H 1.800 . 5.640 5.387 4.508 5.679 0.039 1 0 "[ . 1 . 2]" 1
1235 1 101 TRP HE1 1 103 GLN QG 1.800 . 4.220 3.999 2.935 4.356 0.136 2 0 "[ . 1 . 2]" 1
1236 1 101 TRP H 1 101 TRP HB3 1.800 . 3.870 2.480 2.323 2.641 . 0 0 "[ . 1 . 2]" 1
1237 1 101 TRP H 1 101 TRP HB2 1.800 . 3.870 2.659 2.509 2.855 . 0 0 "[ . 1 . 2]" 1
1238 1 101 TRP H 1 102 VAL H 1.800 . 5.260 4.210 4.081 4.479 . 0 0 "[ . 1 . 2]" 1
1239 1 102 VAL HA 1 102 VAL MG1 1.800 . 3.780 2.437 2.394 2.472 . 0 0 "[ . 1 . 2]" 1
1240 1 102 VAL HA 1 102 VAL MG2 1.800 . 3.970 2.505 2.436 2.565 . 0 0 "[ . 1 . 2]" 1
1241 1 102 VAL HA 1 103 GLN H 1.800 . 2.960 2.165 2.088 2.307 . 0 0 "[ . 1 . 2]" 1
1242 1 102 VAL HB 1 103 GLN H 1.800 . 4.790 4.189 3.916 4.425 . 0 0 "[ . 1 . 2]" 1
1243 1 102 VAL MG1 1 103 GLN H 1.800 . 3.560 2.852 2.381 3.394 . 0 0 "[ . 1 . 2]" 1
1244 1 102 VAL MG1 1 104 GLU H 1.800 . 5.370 3.937 3.404 4.794 . 0 0 "[ . 1 . 2]" 1
1245 1 102 VAL MG1 1 125 LEU MD1 1.800 . 3.590 2.141 1.908 3.050 . 0 0 "[ . 1 . 2]" 1
1246 1 102 VAL MG1 1 125 LEU MD2 1.800 . 4.170 3.075 2.612 4.207 0.037 7 0 "[ . 1 . 2]" 1
1247 1 102 VAL MG2 1 103 GLN H 1.800 . 4.620 4.184 4.008 4.311 . 0 0 "[ . 1 . 2]" 1
1248 1 102 VAL H 1 102 VAL HB 1.800 . 3.670 2.589 2.507 2.698 . 0 0 "[ . 1 . 2]" 1
1249 1 102 VAL H 1 102 VAL MG1 1.800 . 4.280 3.848 3.811 3.917 . 0 0 "[ . 1 . 2]" 1
1250 1 102 VAL H 1 102 VAL MG2 1.800 . 3.760 2.295 2.143 2.584 . 0 0 "[ . 1 . 2]" 1
1251 1 102 VAL H 1 103 GLN H 1.800 . 5.150 4.382 4.136 4.590 . 0 0 "[ . 1 . 2]" 1
1252 1 103 GLN HA 1 103 GLN QG 1.800 . 3.900 2.601 2.405 3.375 . 0 0 "[ . 1 . 2]" 1
1253 1 103 GLN HA 1 104 GLU H 1.800 . 3.170 2.203 2.107 2.379 . 0 0 "[ . 1 . 2]" 1
1254 1 103 GLN QB 1 103 GLN QE 1.800 . 5.120 2.949 1.831 3.755 . 0 0 "[ . 1 . 2]" 1
1255 1 103 GLN QG 1 104 GLU H 1.800 . 4.970 3.902 2.735 4.601 . 0 0 "[ . 1 . 2]" 1
1256 1 103 GLN H 1 103 GLN HB3 1.800 . 3.840 3.313 2.407 3.855 0.015 7 0 "[ . 1 . 2]" 1
1257 1 103 GLN H 1 103 GLN HB2 1.800 . 3.840 2.852 2.290 3.834 . 0 0 "[ . 1 . 2]" 1
1258 1 103 GLN H 1 103 GLN QG 1.800 . 4.980 3.334 2.347 4.308 . 0 0 "[ . 1 . 2]" 1
1259 1 103 GLN H 1 104 GLU H 1.800 . 5.610 4.135 3.792 4.519 . 0 0 "[ . 1 . 2]" 1
1260 1 104 GLU HA 1 105 THR H 1.800 . 3.230 2.178 2.085 2.268 . 0 0 "[ . 1 . 2]" 1
1261 1 104 GLU HB3 1 105 THR H 1.800 . 4.980 4.206 3.111 4.510 . 0 0 "[ . 1 . 2]" 1
1262 1 104 GLU HB2 1 105 THR H 1.800 . 4.980 4.326 4.055 4.518 . 0 0 "[ . 1 . 2]" 1
1263 1 104 GLU HG3 1 105 THR H 1.800 . 5.320 3.667 2.791 4.602 . 0 0 "[ . 1 . 2]" 1
1264 1 104 GLU HG2 1 105 THR H 1.800 . 5.320 3.722 2.665 5.231 . 0 0 "[ . 1 . 2]" 1
1265 1 104 GLU H 1 104 GLU QB 1.800 . 3.310 2.395 2.262 2.779 . 0 0 "[ . 1 . 2]" 1
1266 1 105 THR HA 1 105 THR MG 1.800 . 3.670 2.421 2.375 2.500 . 0 0 "[ . 1 . 2]" 1
1267 1 105 THR HA 1 106 PHE QD 1.800 . 5.180 3.477 3.153 3.630 . 0 0 "[ . 1 . 2]" 1
1268 1 105 THR HA 1 106 PHE H 1.800 . 3.150 2.180 2.144 2.217 . 0 0 "[ . 1 . 2]" 1
1269 1 105 THR HB 1 106 PHE H 1.800 . 4.870 4.266 4.051 4.386 . 0 0 "[ . 1 . 2]" 1
1270 1 105 THR MG 1 106 PHE H 1.800 . 3.620 2.943 2.571 3.169 . 0 0 "[ . 1 . 2]" 1
1271 1 105 THR H 1 105 THR HB 1.800 . 3.870 2.702 2.515 2.910 . 0 0 "[ . 1 . 2]" 1
1272 1 105 THR H 1 105 THR MG 1.800 . 4.880 3.906 3.820 4.006 . 0 0 "[ . 1 . 2]" 1
1273 1 106 PHE HA 1 106 PHE QD 1.800 . 5.220 3.798 3.765 3.820 . 0 0 "[ . 1 . 2]" 1
1274 1 106 PHE HA 1 107 ASP H 1.800 . 3.220 2.233 2.110 2.346 . 0 0 "[ . 1 . 2]" 1
1275 1 106 PHE QB 1 107 ASP H 1.800 . 3.730 2.948 2.573 3.214 . 0 0 "[ . 1 . 2]" 1
1276 1 106 PHE QB 1 121 TRP HE1 1.800 . 5.580 4.647 3.881 5.306 . 0 0 "[ . 1 . 2]" 1
1277 1 106 PHE QD 1 107 ASP H 1.800 . 4.880 4.091 3.613 4.439 . 0 0 "[ . 1 . 2]" 1
1278 1 106 PHE QD 1 108 ALA HA 1.800 . 4.740 3.239 2.520 3.958 . 0 0 "[ . 1 . 2]" 1
1279 1 106 PHE QE 1 117 GLN QB 1.800 . 4.690 2.373 1.820 2.782 . 0 0 "[ . 1 . 2]" 1
1280 1 106 PHE QE 1 121 TRP HE1 1.800 . 5.040 4.075 3.591 4.641 . 0 0 "[ . 1 . 2]" 1
1281 1 106 PHE H 1 106 PHE QD 1.800 . 3.880 2.678 2.390 3.042 . 0 0 "[ . 1 . 2]" 1
1282 1 106 PHE H 1 107 ASP H 1.800 . 5.220 4.362 4.230 4.496 . 0 0 "[ . 1 . 2]" 1
1283 1 107 ASP HA 1 108 ALA H 1.800 . 3.560 2.204 2.121 2.371 . 0 0 "[ . 1 . 2]" 1
1284 1 107 ASP QB 1 108 ALA H 1.800 . 4.050 3.557 2.565 3.942 . 0 0 "[ . 1 . 2]" 1
1285 1 107 ASP H 1 107 ASP QB 1.800 . 3.530 2.362 2.190 2.938 . 0 0 "[ . 1 . 2]" 1
1286 1 107 ASP H 1 108 ALA H 1.800 . 5.290 4.540 4.374 4.662 . 0 0 "[ . 1 . 2]" 1
1287 1 108 ALA HA 1 109 GLU QG 1.800 . 6.050 4.689 3.455 5.917 . 0 0 "[ . 1 . 2]" 1
1288 1 108 ALA HA 1 109 GLU H 1.800 . 3.360 2.328 2.128 2.742 . 0 0 "[ . 1 . 2]" 1
1289 1 108 ALA MB 1 109 GLU H 1.800 . 3.850 2.793 2.091 3.785 . 0 0 "[ . 1 . 2]" 1
1290 1 108 ALA MB 1 117 GLN QE 1.800 . 4.840 2.655 2.098 3.619 . 0 0 "[ . 1 . 2]" 1
1291 1 108 ALA H 1 108 ALA MB 1.800 . 3.210 2.312 2.212 2.496 . 0 0 "[ . 1 . 2]" 1
1292 1 108 ALA H 1 109 GLU H 1.800 . 5.220 4.385 3.350 4.578 . 0 0 "[ . 1 . 2]" 1
1293 1 109 GLU HA 1 110 THR MG 1.800 . 4.400 3.935 3.713 4.312 . 0 0 "[ . 1 . 2]" 1
1294 1 109 GLU HA 1 110 THR H 1.800 . 3.730 2.272 2.148 2.538 . 0 0 "[ . 1 . 2]" 1
1295 1 109 GLU QB 1 110 THR H 1.800 . 3.870 3.345 2.251 3.957 0.087 19 0 "[ . 1 . 2]" 1
1296 1 109 GLU QB 1 111 SER H 1.800 . 4.470 3.308 2.308 4.843 0.373 15 0 "[ . 1 . 2]" 1
1297 1 109 GLU QG 1 110 THR H 1.800 . 4.810 3.786 2.486 4.398 . 0 0 "[ . 1 . 2]" 1
1298 1 109 GLU QG 1 117 GLN HE22 1.800 . 4.890 4.163 2.655 4.988 0.098 5 0 "[ . 1 . 2]" 1
1299 1 109 GLU H 1 109 GLU QG 1.800 . 4.100 3.059 1.822 4.098 . 0 0 "[ . 1 . 2]" 1
1300 1 109 GLU H 1 117 GLN HE21 1.800 . 4.800 3.760 2.413 4.915 0.115 19 0 "[ . 1 . 2]" 1
1301 1 109 GLU H 1 117 GLN HE22 1.800 . 4.980 2.431 1.758 3.605 0.042 10 0 "[ . 1 . 2]" 1
1302 1 110 THR HA 1 110 THR MG 1.800 . 3.310 2.848 2.277 3.264 . 0 0 "[ . 1 . 2]" 1
1303 1 110 THR HA 1 112 HIS H 1.800 . 4.970 4.167 3.406 5.284 0.314 19 0 "[ . 1 . 2]" 1
1304 1 110 THR HB 1 111 SER H 1.800 . 5.330 4.225 3.916 4.600 . 0 0 "[ . 1 . 2]" 1
1305 1 110 THR H 1 110 THR MG 1.800 . 3.890 2.310 1.984 2.938 . 0 0 "[ . 1 . 2]" 1
1306 1 110 THR H 1 111 SER H 1.800 . 4.520 2.502 1.818 2.850 . 0 0 "[ . 1 . 2]" 1
1307 1 111 SER QB 1 112 HIS H 1.800 . 4.270 2.918 2.180 3.839 . 0 0 "[ . 1 . 2]" 1
1308 1 111 SER H 1 112 HIS H 1.800 . 4.040 2.439 2.032 2.800 . 0 0 "[ . 1 . 2]" 1
1309 1 112 HIS HA 1 113 THR H 1.800 . 3.690 2.395 2.211 2.819 . 0 0 "[ . 1 . 2]" 1
1310 1 112 HIS QB 1 116 GLN QB 1.800 . 4.650 3.667 2.173 4.771 0.121 16 0 "[ . 1 . 2]" 1
1311 1 112 HIS HB3 1 113 THR H 1.800 . 4.660 2.704 1.871 3.923 . 0 0 "[ . 1 . 2]" 1
1312 1 112 HIS HB3 1 117 GLN HE21 1.800 . 5.570 3.980 2.213 5.743 0.173 8 0 "[ . 1 . 2]" 1
1313 1 112 HIS HB3 1 117 GLN QG 1.800 . 4.820 3.035 2.449 4.782 . 0 0 "[ . 1 . 2]" 1
1314 1 112 HIS HB2 1 113 THR H 1.800 . 4.660 3.807 3.308 4.333 . 0 0 "[ . 1 . 2]" 1
1315 1 112 HIS HB2 1 117 GLN HE21 1.800 . 5.570 3.561 2.318 5.029 . 0 0 "[ . 1 . 2]" 1
1316 1 112 HIS HB2 1 117 GLN QG 1.800 . 4.820 3.008 2.020 4.118 . 0 0 "[ . 1 . 2]" 1
1317 1 113 THR HA 1 113 THR MG 1.800 . 3.730 2.387 2.289 2.473 . 0 0 "[ . 1 . 2]" 1
1318 1 113 THR HA 1 114 PRO QD 1.800 . 3.260 2.005 1.924 2.123 . 0 0 "[ . 1 . 2]" 1
1319 1 113 THR HA 1 114 PRO QG 1.800 . 4.630 3.926 3.850 4.036 . 0 0 "[ . 1 . 2]" 1
1320 1 113 THR HA 1 115 ALA H 1.800 . 4.730 4.361 4.080 4.760 0.030 15 0 "[ . 1 . 2]" 1
1321 1 113 THR MG 1 114 PRO HD3 1.800 . 4.300 3.834 3.518 4.333 0.033 15 0 "[ . 1 . 2]" 1
1322 1 113 THR MG 1 114 PRO HD2 1.800 . 4.300 3.270 2.566 3.934 . 0 0 "[ . 1 . 2]" 1
1323 1 113 THR MG 1 115 ALA H 1.800 . 5.060 3.964 2.157 5.122 0.062 1 0 "[ . 1 . 2]" 1
1324 1 113 THR MG 1 116 GLN H 1.800 . 5.160 3.838 1.948 5.048 . 0 0 "[ . 1 . 2]" 1
1325 1 113 THR H 1 113 THR MG 1.800 . 3.750 2.883 2.209 3.805 0.055 13 0 "[ . 1 . 2]" 1
1326 1 113 THR H 1 116 GLN QB 1.800 . 4.050 3.511 2.747 4.001 . 0 0 "[ . 1 . 2]" 1
1327 1 113 THR H 1 116 GLN QG 1.800 . 5.080 4.524 3.039 5.197 0.117 12 0 "[ . 1 . 2]" 1
1328 1 113 THR H 1 117 GLN QG 1.800 . 5.640 4.140 3.720 4.793 . 0 0 "[ . 1 . 2]" 1
1329 1 114 PRO HA 1 117 GLN QB 1.800 . 4.740 2.743 2.031 3.269 . 0 0 "[ . 1 . 2]" 1
1330 1 114 PRO HA 1 117 GLN QE 1.800 . 6.050 2.697 1.841 4.890 . 0 0 "[ . 1 . 2]" 1
1331 1 114 PRO HA 1 117 GLN H 1.800 . 4.470 3.552 3.224 3.881 . 0 0 "[ . 1 . 2]" 1
1332 1 114 PRO HA 1 118 GLN H 1.800 . 4.660 4.048 3.639 4.380 . 0 0 "[ . 1 . 2]" 1
1333 1 114 PRO HB3 1 115 ALA H 1.800 . 5.020 3.966 3.820 4.195 . 0 0 "[ . 1 . 2]" 1
1334 1 114 PRO HB2 1 115 ALA H 1.800 . 5.020 2.661 2.398 3.247 . 0 0 "[ . 1 . 2]" 1
1335 1 114 PRO QD 1 115 ALA H 1.800 . 3.960 3.015 2.711 3.429 . 0 0 "[ . 1 . 2]" 1
1336 1 114 PRO QG 1 115 ALA H 1.800 . 4.880 3.555 2.411 4.030 . 0 0 "[ . 1 . 2]" 1
1337 1 115 ALA HA 1 118 GLN QB 1.800 . 3.640 2.752 2.492 3.254 . 0 0 "[ . 1 . 2]" 1
1338 1 115 ALA HA 1 118 GLN H 1.800 . 4.760 3.652 3.363 4.140 . 0 0 "[ . 1 . 2]" 1
1339 1 115 ALA MB 1 116 GLN H 1.800 . 3.400 2.532 2.367 2.774 . 0 0 "[ . 1 . 2]" 1
1340 1 115 ALA MB 1 118 GLN QB 1.800 . 5.260 4.032 3.681 4.583 . 0 0 "[ . 1 . 2]" 1
1341 1 115 ALA H 1 115 ALA MB 1.800 . 2.960 2.244 2.225 2.271 . 0 0 "[ . 1 . 2]" 1
1342 1 115 ALA H 1 116 GLN H 1.800 . 3.720 2.847 2.730 2.954 . 0 0 "[ . 1 . 2]" 1
1343 1 116 GLN HA 1 116 GLN QG 1.800 . 3.430 2.686 2.341 3.101 . 0 0 "[ . 1 . 2]" 1
1344 1 116 GLN HA 1 119 ALA MB 1.800 . 3.780 2.738 2.192 3.051 . 0 0 "[ . 1 . 2]" 1
1345 1 116 GLN HA 1 119 ALA H 1.800 . 4.320 3.606 3.151 3.978 . 0 0 "[ . 1 . 2]" 1
1346 1 116 GLN HA 1 120 GLY H 1.800 . 4.800 4.249 3.746 4.614 . 0 0 "[ . 1 . 2]" 1
1347 1 116 GLN QB 1 117 GLN H 1.800 . 3.410 2.636 2.315 2.912 . 0 0 "[ . 1 . 2]" 1
1348 1 116 GLN H 1 116 GLN QB 1.800 . 3.190 2.316 2.174 2.587 . 0 0 "[ . 1 . 2]" 1
1349 1 116 GLN H 1 116 GLN QG 1.800 . 4.020 3.409 2.063 4.083 0.063 16 0 "[ . 1 . 2]" 1
1350 1 117 GLN HA 1 117 GLN QG 1.800 . 3.950 2.539 2.370 2.878 . 0 0 "[ . 1 . 2]" 1
1351 1 117 GLN HA 1 120 GLY H 1.800 . 5.080 3.395 2.879 3.754 . 0 0 "[ . 1 . 2]" 1
1352 1 117 GLN HA 1 121 TRP HD1 1.800 . 4.550 3.257 2.683 3.949 . 0 0 "[ . 1 . 2]" 1
1353 1 117 GLN QB 1 117 GLN HE21 1.800 . 5.120 3.186 1.838 3.767 . 0 0 "[ . 1 . 2]" 1
1354 1 117 GLN QB 1 118 GLN H 1.800 . 3.330 2.454 2.158 2.827 . 0 0 "[ . 1 . 2]" 1
1355 1 117 GLN QB 1 121 TRP HD1 1.800 . 4.940 2.996 1.809 4.157 . 0 0 "[ . 1 . 2]" 1
1356 1 117 GLN QB 1 121 TRP HE1 1.800 . 5.870 3.524 2.817 4.933 . 0 0 "[ . 1 . 2]" 1
1357 1 117 GLN QG 1 118 GLN H 1.800 . 4.770 3.937 3.762 4.179 . 0 0 "[ . 1 . 2]" 1
1358 1 117 GLN H 1 117 GLN QB 1.800 . 3.520 2.529 2.355 2.651 . 0 0 "[ . 1 . 2]" 1
1359 1 117 GLN H 1 117 GLN HE21 1.800 . 4.820 4.075 3.366 5.061 0.241 10 0 "[ . 1 . 2]" 1
1360 1 117 GLN H 1 117 GLN QG 1.800 . 3.500 2.154 1.883 2.465 . 0 0 "[ . 1 . 2]" 1
1361 1 117 GLN H 1 118 GLN H 1.800 . 3.670 2.658 2.510 2.892 . 0 0 "[ . 1 . 2]" 1
1362 1 117 GLN H 1 119 ALA H 1.800 . 4.570 4.130 3.802 4.350 . 0 0 "[ . 1 . 2]" 1
1363 1 118 GLN HA 1 118 GLN HG3 1.800 . 4.360 2.739 2.550 3.722 . 0 0 "[ . 1 . 2]" 1
1364 1 118 GLN HA 1 118 GLN HG2 1.800 . 4.360 3.093 2.483 3.294 . 0 0 "[ . 1 . 2]" 1
1365 1 118 GLN HA 1 121 TRP QB 1.800 . 4.930 3.268 2.728 3.866 . 0 0 "[ . 1 . 2]" 1
1366 1 118 GLN HA 1 121 TRP H 1.800 . 4.920 3.925 3.511 4.275 . 0 0 "[ . 1 . 2]" 1
1367 1 118 GLN QB 1 118 GLN QE 1.800 . 4.720 3.119 1.908 3.538 . 0 0 "[ . 1 . 2]" 1
1368 1 118 GLN QB 1 119 ALA MB 1.800 . 5.520 3.785 3.547 4.059 . 0 0 "[ . 1 . 2]" 1
1369 1 118 GLN QB 1 119 ALA H 1.800 . 3.380 2.506 2.209 2.789 . 0 0 "[ . 1 . 2]" 1
1370 1 118 GLN QG 1 119 ALA H 1.800 . 4.980 3.665 3.263 4.280 . 0 0 "[ . 1 . 2]" 1
1371 1 118 GLN QG 1 122 GLN H 1.800 . 6.050 4.431 3.982 5.293 . 0 0 "[ . 1 . 2]" 1
1372 1 118 GLN H 1 118 GLN QB 1.800 . 3.590 2.242 2.166 2.286 . 0 0 "[ . 1 . 2]" 1
1373 1 118 GLN H 1 118 GLN HG3 1.800 . 5.690 4.476 4.415 4.519 . 0 0 "[ . 1 . 2]" 1
1374 1 118 GLN H 1 118 GLN HG2 1.800 . 5.690 4.466 4.324 4.528 . 0 0 "[ . 1 . 2]" 1
1375 1 118 GLN H 1 119 ALA MB 1.800 . 5.480 4.400 4.314 4.486 . 0 0 "[ . 1 . 2]" 1
1376 1 118 GLN H 1 119 ALA H 1.800 . 3.770 2.737 2.640 2.859 . 0 0 "[ . 1 . 2]" 1
1377 1 118 GLN H 1 120 GLY H 1.800 . 5.390 4.009 3.784 4.207 . 0 0 "[ . 1 . 2]" 1
1378 1 119 ALA HA 1 122 GLN QB 1.800 . 3.820 2.648 2.121 3.268 . 0 0 "[ . 1 . 2]" 1
1379 1 119 ALA HA 1 122 GLN H 1.800 . 4.570 3.817 3.592 4.191 . 0 0 "[ . 1 . 2]" 1
1380 1 119 ALA HA 1 123 GLY H 1.800 . 5.170 4.013 3.723 4.726 . 0 0 "[ . 1 . 2]" 1
1381 1 119 ALA MB 1 120 GLY QA 1.800 . 4.520 3.649 3.551 3.734 . 0 0 "[ . 1 . 2]" 1
1382 1 119 ALA MB 1 120 GLY H 1.800 . 3.630 2.740 2.568 2.914 . 0 0 "[ . 1 . 2]" 1
1383 1 119 ALA MB 1 122 GLN H 1.800 . 6.050 4.884 4.715 5.116 . 0 0 "[ . 1 . 2]" 1
1384 1 119 ALA H 1 119 ALA MB 1.800 . 3.130 2.246 2.216 2.270 . 0 0 "[ . 1 . 2]" 1
1385 1 119 ALA H 1 120 GLY H 1.800 . 3.700 2.606 2.525 2.663 . 0 0 "[ . 1 . 2]" 1
1386 1 120 GLY H 1 121 TRP H 1.800 . 3.980 2.732 2.604 2.869 . 0 0 "[ . 1 . 2]" 1
1387 1 120 GLY H 1 122 GLN H 1.800 . 5.700 3.951 3.688 4.198 . 0 0 "[ . 1 . 2]" 1
1388 1 121 TRP HA 1 124 ILE HB 1.800 . 4.620 2.787 2.533 3.105 . 0 0 "[ . 1 . 2]" 1
1389 1 121 TRP HA 1 124 ILE MD 1.800 . 4.520 2.522 1.875 4.067 . 0 0 "[ . 1 . 2]" 1
1390 1 121 TRP QB 1 122 GLN H 1.800 . 4.110 2.683 2.491 2.925 . 0 0 "[ . 1 . 2]" 1
1391 1 121 TRP H 1 121 TRP QB 1.800 . 3.750 2.346 2.218 2.424 . 0 0 "[ . 1 . 2]" 1
1392 1 121 TRP H 1 121 TRP HD1 1.800 . 4.030 2.490 2.101 2.981 . 0 0 "[ . 1 . 2]" 1
1393 1 121 TRP H 1 122 GLN H 1.800 . 3.950 2.696 2.542 2.866 . 0 0 "[ . 1 . 2]" 1
1394 1 122 GLN HA 1 122 GLN QE 1.800 . 5.530 3.189 2.066 3.883 . 0 0 "[ . 1 . 2]" 1
1395 1 122 GLN HA 1 125 LEU QB 1.800 . 4.070 2.379 1.884 2.938 . 0 0 "[ . 1 . 2]" 1
1396 1 122 GLN HA 1 125 LEU MD2 1.800 . 4.860 3.395 2.896 4.104 . 0 0 "[ . 1 . 2]" 1
1397 1 122 GLN HA 1 125 LEU H 1.800 . 4.530 3.216 2.670 3.459 . 0 0 "[ . 1 . 2]" 1
1398 1 122 GLN HA 1 126 ASP H 1.800 . 4.910 3.619 3.163 3.899 . 0 0 "[ . 1 . 2]" 1
1399 1 122 GLN QB 1 122 GLN QE 1.800 . 5.070 3.344 2.011 3.784 . 0 0 "[ . 1 . 2]" 1
1400 1 122 GLN QB 1 123 GLY H 1.800 . 3.940 2.816 2.584 3.142 . 0 0 "[ . 1 . 2]" 1
1401 1 122 GLN HE21 1 125 LEU MD2 1.800 . 4.770 3.527 1.777 4.832 0.062 18 0 "[ . 1 . 2]" 1
1402 1 122 GLN HE22 1 125 LEU MD2 1.800 . 4.770 2.925 1.789 4.878 0.108 12 0 "[ . 1 . 2]" 1
1403 1 122 GLN H 1 122 GLN HB3 1.800 . 3.730 2.749 2.485 3.600 . 0 0 "[ . 1 . 2]" 1
1404 1 122 GLN H 1 122 GLN HB2 1.800 . 3.730 2.516 2.238 2.776 . 0 0 "[ . 1 . 2]" 1
1405 1 122 GLN H 1 122 GLN QG 1.800 . 5.870 3.925 2.559 4.136 . 0 0 "[ . 1 . 2]" 1
1406 1 122 GLN H 1 123 GLY H 1.800 . 3.990 2.600 2.445 2.734 . 0 0 "[ . 1 . 2]" 1
1407 1 123 GLY QA 1 126 ASP QB 1.800 . 4.290 2.751 2.357 3.543 . 0 0 "[ . 1 . 2]" 1
1408 1 123 GLY QA 1 126 ASP H 1.800 . 5.180 3.678 3.201 4.188 . 0 0 "[ . 1 . 2]" 1
1409 1 123 GLY QA 1 127 ASN H 1.800 . 5.890 3.963 3.752 4.142 . 0 0 "[ . 1 . 2]" 1
1410 1 123 GLY H 1 124 ILE H 1.800 . 4.040 2.716 2.630 2.847 . 0 0 "[ . 1 . 2]" 1
1411 1 124 ILE HA 1 124 ILE MD 1.800 . 4.540 3.759 2.118 3.945 . 0 0 "[ . 1 . 2]" 1
1412 1 124 ILE HA 1 124 ILE HG13 1.800 . 4.460 3.069 2.457 3.792 . 0 0 "[ . 1 . 2]" 1
1413 1 124 ILE HA 1 124 ILE HG12 1.800 . 4.460 2.697 2.519 3.696 . 0 0 "[ . 1 . 2]" 1
1414 1 124 ILE HA 1 127 ASN QB 1.800 . 4.210 2.536 2.192 2.875 . 0 0 "[ . 1 . 2]" 1
1415 1 124 ILE HA 1 127 ASN H 1.800 . 4.490 3.501 3.245 3.806 . 0 0 "[ . 1 . 2]" 1
1416 1 124 ILE HB 1 125 LEU H 1.800 . 4.130 2.720 2.454 3.003 . 0 0 "[ . 1 . 2]" 1
1417 1 124 ILE QG 1 125 LEU H 1.800 . 5.080 4.080 3.945 4.665 . 0 0 "[ . 1 . 2]" 1
1418 1 124 ILE MD 1 124 ILE MG 1.800 . 3.700 2.106 1.998 3.315 . 0 0 "[ . 1 . 2]" 1
1419 1 124 ILE QG 1 124 ILE MG 1.800 . 3.480 2.364 2.147 2.426 . 0 0 "[ . 1 . 2]" 1
1420 1 124 ILE MG 1 125 LEU H 1.800 . 4.770 3.545 3.253 3.820 . 0 0 "[ . 1 . 2]" 1
1421 1 124 ILE H 1 124 ILE HB 1.800 . 3.560 2.499 2.378 2.593 . 0 0 "[ . 1 . 2]" 1
1422 1 124 ILE H 1 124 ILE MD 1.800 . 4.390 3.504 2.221 3.701 . 0 0 "[ . 1 . 2]" 1
1423 1 124 ILE H 1 124 ILE QG 1.800 . 3.470 2.211 2.003 3.500 0.030 11 0 "[ . 1 . 2]" 1
1424 1 124 ILE H 1 124 ILE MG 1.800 . 4.310 3.798 3.771 3.832 . 0 0 "[ . 1 . 2]" 1
1425 1 124 ILE H 1 125 LEU H 1.800 . 3.750 2.574 2.459 2.803 . 0 0 "[ . 1 . 2]" 1
1426 1 124 ILE H 1 126 ASP H 1.800 . 5.250 4.104 3.930 4.317 . 0 0 "[ . 1 . 2]" 1
1427 1 125 LEU HA 1 125 LEU MD1 1.800 . 3.540 2.142 2.073 2.252 . 0 0 "[ . 1 . 2]" 1
1428 1 125 LEU HA 1 125 LEU MD2 1.800 . 4.870 3.956 3.928 3.983 . 0 0 "[ . 1 . 2]" 1
1429 1 125 LEU HA 1 128 PHE QB 1.800 . 4.030 2.383 2.041 2.639 . 0 0 "[ . 1 . 2]" 1
1430 1 125 LEU HA 1 128 PHE H 1.800 . 5.170 3.309 2.968 3.534 . 0 0 "[ . 1 . 2]" 1
1431 1 125 LEU HA 1 129 LYS H 1.800 . 5.190 4.077 3.849 4.432 . 0 0 "[ . 1 . 2]" 1
1432 1 125 LEU QB 1 125 LEU MD1 1.800 . 3.390 2.389 2.348 2.428 . 0 0 "[ . 1 . 2]" 1
1433 1 125 LEU QB 1 126 ASP H 1.800 . 3.840 2.616 2.366 2.767 . 0 0 "[ . 1 . 2]" 1
1434 1 125 LEU HB3 1 125 LEU MD2 1.800 . 3.670 2.362 2.335 2.406 . 0 0 "[ . 1 . 2]" 1
1435 1 125 LEU HB2 1 125 LEU MD2 1.800 . 3.670 2.469 2.416 2.524 . 0 0 "[ . 1 . 2]" 1
1436 1 125 LEU MD1 1 126 ASP H 1.800 . 5.080 4.575 4.377 4.681 . 0 0 "[ . 1 . 2]" 1
1437 1 125 LEU MD1 1 128 PHE QB 1.800 . 5.030 2.730 2.298 2.986 . 0 0 "[ . 1 . 2]" 1
1438 1 125 LEU MD1 1 129 LYS H 1.800 . 5.200 4.094 3.535 4.456 . 0 0 "[ . 1 . 2]" 1
1439 1 125 LEU MD2 1 126 ASP H 1.800 . 5.220 4.416 4.046 4.637 . 0 0 "[ . 1 . 2]" 1
1440 1 125 LEU HG 1 126 ASP H 1.800 . 4.920 3.921 3.487 4.155 . 0 0 "[ . 1 . 2]" 1
1441 1 125 LEU HG 1 129 LYS H 1.800 . 5.500 4.490 4.168 4.813 . 0 0 "[ . 1 . 2]" 1
1442 1 125 LEU H 1 125 LEU QB 1.800 . 3.380 2.258 2.212 2.305 . 0 0 "[ . 1 . 2]" 1
1443 1 125 LEU H 1 125 LEU MD1 1.800 . 4.500 4.199 4.095 4.258 . 0 0 "[ . 1 . 2]" 1
1444 1 125 LEU H 1 125 LEU MD2 1.800 . 5.210 4.330 4.263 4.391 . 0 0 "[ . 1 . 2]" 1
1445 1 125 LEU H 1 126 ASP H 1.800 . 3.970 2.538 2.433 2.647 . 0 0 "[ . 1 . 2]" 1
1446 1 126 ASP HA 1 129 LYS QB 1.800 . 4.320 2.496 2.044 4.252 . 0 0 "[ . 1 . 2]" 1
1447 1 126 ASP HA 1 129 LYS H 1.800 . 4.520 3.315 2.850 3.721 . 0 0 "[ . 1 . 2]" 1
1448 1 126 ASP HA 1 130 ARG H 1.800 . 5.080 3.879 3.605 4.638 . 0 0 "[ . 1 . 2]" 1
1449 1 126 ASP QB 1 127 ASN H 1.800 . 4.020 2.723 2.383 3.026 . 0 0 "[ . 1 . 2]" 1
1450 1 126 ASP H 1 126 ASP QB 1.800 . 3.490 2.271 2.203 2.323 . 0 0 "[ . 1 . 2]" 1
1451 1 126 ASP H 1 127 ASN H 1.800 . 3.880 2.658 2.505 2.854 . 0 0 "[ . 1 . 2]" 1
1452 1 127 ASN HA 1 127 ASN QD 1.800 . 4.100 3.435 1.958 4.157 0.057 9 0 "[ . 1 . 2]" 1
1453 1 127 ASN HA 1 130 ARG QB 1.800 . 4.460 2.874 2.243 4.569 0.109 8 0 "[ . 1 . 2]" 1
1454 1 127 ASN HA 1 130 ARG H 1.800 . 4.440 3.665 3.245 4.152 . 0 0 "[ . 1 . 2]" 1
1455 1 127 ASN HB3 1 128 PHE H 1.800 . 5.210 3.044 2.544 3.810 . 0 0 "[ . 1 . 2]" 1
1456 1 127 ASN HB2 1 128 PHE H 1.800 . 5.210 3.547 2.748 4.061 . 0 0 "[ . 1 . 2]" 1
1457 1 127 ASN H 1 127 ASN QB 1.800 . 3.200 2.287 2.193 2.388 . 0 0 "[ . 1 . 2]" 1
1458 1 127 ASN H 1 128 PHE H 1.800 . 3.900 2.543 2.413 2.701 . 0 0 "[ . 1 . 2]" 1
1459 1 128 PHE HA 1 128 PHE QD 1.800 . 5.060 2.474 2.197 2.703 . 0 0 "[ . 1 . 2]" 1
1460 1 128 PHE HA 1 131 TYR QB 1.800 . 4.170 2.568 2.038 2.954 . 0 0 "[ . 1 . 2]" 1
1461 1 128 PHE QB 1 129 LYS H 1.800 . 4.260 2.466 2.249 2.822 . 0 0 "[ . 1 . 2]" 1
1462 1 128 PHE QE 1 132 VAL MG1 1.800 . 4.710 4.562 4.273 4.851 0.141 13 0 "[ . 1 . 2]" 1
1463 1 128 PHE QE 1 132 VAL MG2 1.800 . 4.430 2.876 2.728 3.021 . 0 0 "[ . 1 . 2]" 1
1464 1 128 PHE H 1 129 LYS H 1.800 . 4.300 2.724 2.607 2.918 . 0 0 "[ . 1 . 2]" 1
1465 1 129 LYS HA 1 132 VAL HB 1.800 . 5.270 3.148 2.670 3.515 . 0 0 "[ . 1 . 2]" 1
1466 1 129 LYS HA 1 132 VAL MG1 1.800 . 5.180 4.448 3.996 4.841 . 0 0 "[ . 1 . 2]" 1
1467 1 129 LYS HA 1 132 VAL MG2 1.800 . 4.330 3.253 2.756 3.615 . 0 0 "[ . 1 . 2]" 1
1468 1 129 LYS HA 1 133 GLU H 1.800 . 6.040 4.327 3.927 4.576 . 0 0 "[ . 1 . 2]" 1
1469 1 129 LYS QB 1 129 LYS QE 1.800 . 4.630 3.165 1.894 3.768 . 0 0 "[ . 1 . 2]" 1
1470 1 129 LYS HB3 1 130 ARG H 1.800 . 4.570 2.519 2.205 4.039 . 0 0 "[ . 1 . 2]" 1
1471 1 129 LYS HB2 1 130 ARG H 1.800 . 4.570 3.820 3.654 3.920 . 0 0 "[ . 1 . 2]" 1
1472 1 129 LYS QE 1 129 LYS QG 1.800 . 3.580 2.407 2.159 2.855 . 0 0 "[ . 1 . 2]" 1
1473 1 129 LYS QG 1 130 ARG HA 1.800 . 4.820 3.515 2.940 4.871 0.051 12 0 "[ . 1 . 2]" 1
1474 1 129 LYS QG 1 130 ARG H 1.800 . 4.270 3.298 2.216 4.148 . 0 0 "[ . 1 . 2]" 1
1475 1 129 LYS H 1 129 LYS QB 1.800 . 3.600 2.234 2.163 2.561 . 0 0 "[ . 1 . 2]" 1
1476 1 129 LYS H 1 129 LYS QD 1.800 . 5.870 4.476 3.810 4.774 . 0 0 "[ . 1 . 2]" 1
1477 1 129 LYS H 1 129 LYS QG 1.800 . 4.490 3.887 2.102 4.027 . 0 0 "[ . 1 . 2]" 1
1478 1 129 LYS H 1 130 ARG H 1.800 . 4.170 2.811 2.695 2.943 . 0 0 "[ . 1 . 2]" 1
1479 1 130 ARG HA 1 130 ARG QG 1.800 . 3.770 2.617 2.413 3.536 . 0 0 "[ . 1 . 2]" 1
1480 1 130 ARG HA 1 133 GLU HB3 1.800 . 5.100 4.620 2.884 5.152 0.052 15 0 "[ . 1 . 2]" 1
1481 1 130 ARG HA 1 133 GLU HB2 1.800 . 5.100 3.085 2.400 3.737 . 0 0 "[ . 1 . 2]" 1
1482 1 130 ARG HA 1 133 GLU QG 1.800 . 5.400 3.906 2.163 4.539 . 0 0 "[ . 1 . 2]" 1
1483 1 130 ARG QB 1 130 ARG QD 1.800 . 3.400 2.312 2.170 2.552 . 0 0 "[ . 1 . 2]" 1
1484 1 130 ARG QB 1 130 ARG HE 1.800 . 5.850 3.491 1.934 4.208 . 0 0 "[ . 1 . 2]" 1
1485 1 130 ARG HB3 1 131 TYR H 1.800 . 4.430 3.130 2.497 4.202 . 0 0 "[ . 1 . 2]" 1
1486 1 130 ARG HB2 1 131 TYR H 1.800 . 4.430 3.581 2.587 4.169 . 0 0 "[ . 1 . 2]" 1
1487 1 130 ARG H 1 130 ARG QB 1.800 . 3.430 2.332 2.145 2.590 . 0 0 "[ . 1 . 2]" 1
1488 1 130 ARG H 1 130 ARG QG 1.800 . 4.290 3.377 2.119 4.039 . 0 0 "[ . 1 . 2]" 1
1489 1 130 ARG H 1 131 TYR H 1.800 . 4.030 2.681 2.614 2.763 . 0 0 "[ . 1 . 2]" 1
1490 1 131 TYR HA 1 131 TYR QD 1.800 . 4.210 2.723 2.429 2.976 . 0 0 "[ . 1 . 2]" 1
1491 1 131 TYR HA 1 134 ALA MB 1.800 . 3.940 2.944 2.337 3.870 . 0 0 "[ . 1 . 2]" 1
1492 1 131 TYR HA 1 134 ALA H 1.800 . 4.510 3.702 3.229 4.315 . 0 0 "[ . 1 . 2]" 1
1493 1 131 TYR QB 1 132 VAL H 1.800 . 3.940 2.559 2.378 2.678 . 0 0 "[ . 1 . 2]" 1
1494 1 131 TYR QD 1 132 VAL HA 1.800 . 4.890 3.540 2.996 3.975 . 0 0 "[ . 1 . 2]" 1
1495 1 131 TYR QD 1 132 VAL HB 1.800 . 5.980 4.913 4.119 5.404 . 0 0 "[ . 1 . 2]" 1
1496 1 131 TYR QD 1 132 VAL MG2 1.800 . 4.220 2.631 1.876 3.209 . 0 0 "[ . 1 . 2]" 1
1497 1 131 TYR QD 1 132 VAL H 1.800 . 4.390 3.343 2.826 3.715 . 0 0 "[ . 1 . 2]" 1
1498 1 131 TYR QD 1 135 ALA MB 1.800 . 5.160 3.759 2.803 4.521 . 0 0 "[ . 1 . 2]" 1
1499 1 131 TYR QE 1 132 VAL MG2 1.800 . 4.810 3.827 2.661 4.681 . 0 0 "[ . 1 . 2]" 1
1500 1 131 TYR QE 1 135 ALA MB 1.800 . 4.580 3.513 2.549 4.286 . 0 0 "[ . 1 . 2]" 1
1501 1 131 TYR H 1 131 TYR HB3 1.800 . 3.970 2.402 2.208 2.483 . 0 0 "[ . 1 . 2]" 1
1502 1 131 TYR H 1 131 TYR HB2 1.800 . 3.970 2.697 2.592 2.825 . 0 0 "[ . 1 . 2]" 1
1503 1 131 TYR H 1 131 TYR QD 1.800 . 4.830 4.221 4.122 4.266 . 0 0 "[ . 1 . 2]" 1
1504 1 131 TYR H 1 132 VAL MG2 1.800 . 5.410 4.155 3.947 4.435 . 0 0 "[ . 1 . 2]" 1
1505 1 131 TYR H 1 132 VAL H 1.800 . 3.930 2.759 2.589 2.886 . 0 0 "[ . 1 . 2]" 1
1506 1 132 VAL HA 1 132 VAL MG1 1.800 . 3.900 2.495 2.395 2.587 . 0 0 "[ . 1 . 2]" 1
1507 1 132 VAL HA 1 132 VAL MG2 1.800 . 3.760 2.443 2.376 2.551 . 0 0 "[ . 1 . 2]" 1
1508 1 132 VAL HA 1 134 ALA H 1.800 . 5.080 4.444 4.242 4.791 . 0 0 "[ . 1 . 2]" 1
1509 1 132 VAL HA 1 135 ALA MB 1.800 . 4.000 2.939 2.466 3.312 . 0 0 "[ . 1 . 2]" 1
1510 1 132 VAL HA 1 135 ALA H 1.800 . 4.260 3.898 3.423 4.265 0.005 18 0 "[ . 1 . 2]" 1
1511 1 132 VAL HA 1 137 LEU MD1 1.800 . 4.740 3.067 2.291 4.681 . 0 0 "[ . 1 . 2]" 1
1512 1 132 VAL HA 1 137 LEU MD2 1.800 . 5.140 3.828 2.004 5.192 0.052 17 0 "[ . 1 . 2]" 1
1513 1 132 VAL HB 1 133 GLU H 1.800 . 3.480 2.688 2.373 2.908 . 0 0 "[ . 1 . 2]" 1
1514 1 132 VAL MG1 1 133 GLU HA 1.800 . 4.840 3.531 3.068 3.852 . 0 0 "[ . 1 . 2]" 1
1515 1 132 VAL MG1 1 133 GLU H 1.800 . 4.170 3.501 3.205 3.741 . 0 0 "[ . 1 . 2]" 1
1516 1 132 VAL MG1 1 134 ALA H 1.800 . 5.920 5.092 4.881 5.317 . 0 0 "[ . 1 . 2]" 1
1517 1 132 VAL MG1 1 137 LEU MD1 1.800 . 4.130 2.231 1.728 4.239 0.109 15 0 "[ . 1 . 2]" 1
1518 1 132 VAL MG2 1 133 GLU H 1.800 . 4.280 3.886 3.722 4.019 . 0 0 "[ . 1 . 2]" 1
1519 1 132 VAL MG2 1 134 ALA H 1.800 . 6.050 5.405 5.202 5.612 . 0 0 "[ . 1 . 2]" 1
1520 1 132 VAL MG2 1 135 ALA MB 1.800 . 5.080 4.464 3.931 4.789 . 0 0 "[ . 1 . 2]" 1
1521 1 132 VAL H 1 132 VAL HB 1.800 . 3.740 2.540 2.434 2.747 . 0 0 "[ . 1 . 2]" 1
1522 1 132 VAL H 1 132 VAL MG1 1.800 . 4.160 3.807 3.768 3.841 . 0 0 "[ . 1 . 2]" 1
1523 1 132 VAL H 1 132 VAL MG2 1.800 . 3.540 2.123 1.956 2.282 . 0 0 "[ . 1 . 2]" 1
1524 1 132 VAL H 1 133 GLU H 1.800 . 3.880 2.671 2.569 2.796 . 0 0 "[ . 1 . 2]" 1
1525 1 132 VAL H 1 134 ALA H 1.800 . 5.370 4.076 3.869 4.356 . 0 0 "[ . 1 . 2]" 1
1526 1 133 GLU HA 1 133 GLU QG 1.800 . 3.670 2.623 2.400 3.158 . 0 0 "[ . 1 . 2]" 1
1527 1 133 GLU HA 1 135 ALA H 1.800 . 5.670 4.468 4.035 5.019 . 0 0 "[ . 1 . 2]" 1
1528 1 133 GLU HB3 1 134 ALA H 1.800 . 4.530 3.882 2.451 4.198 . 0 0 "[ . 1 . 2]" 1
1529 1 133 GLU HB2 1 134 ALA H 1.800 . 4.530 3.004 2.391 3.693 . 0 0 "[ . 1 . 2]" 1
1530 1 133 GLU H 1 133 GLU HB3 1.800 . 4.290 3.574 2.638 3.658 . 0 0 "[ . 1 . 2]" 1
1531 1 133 GLU H 1 133 GLU HB2 1.800 . 4.290 2.493 2.269 2.694 . 0 0 "[ . 1 . 2]" 1
1532 1 133 GLU H 1 133 GLU QG 1.800 . 3.670 2.377 2.071 3.915 0.245 10 0 "[ . 1 . 2]" 1
1533 1 133 GLU H 1 134 ALA H 1.800 . 3.630 2.541 2.425 2.793 . 0 0 "[ . 1 . 2]" 1
1534 1 134 ALA MB 1 135 ALA H 1.800 . 3.510 2.688 2.206 3.365 . 0 0 "[ . 1 . 2]" 1
1535 1 134 ALA MB 1 136 GLY H 1.800 . 5.310 4.486 4.025 4.802 . 0 0 "[ . 1 . 2]" 1
1536 1 134 ALA H 1 134 ALA MB 1.800 . 3.100 2.311 2.281 2.384 . 0 0 "[ . 1 . 2]" 1
1537 1 134 ALA H 1 135 ALA MB 1.800 . 4.710 4.074 3.962 4.239 . 0 0 "[ . 1 . 2]" 1
1538 1 134 ALA H 1 135 ALA H 1.800 . 3.340 2.381 2.240 2.522 . 0 0 "[ . 1 . 2]" 1
1539 1 134 ALA H 1 136 GLY H 1.800 . 5.680 3.784 3.278 4.440 . 0 0 "[ . 1 . 2]" 1
1540 1 135 ALA MB 1 136 GLY QA 1.800 . 5.460 3.895 3.731 4.048 . 0 0 "[ . 1 . 2]" 1
1541 1 135 ALA MB 1 136 GLY H 1.800 . 3.840 2.623 2.247 3.007 . 0 0 "[ . 1 . 2]" 1
1542 1 135 ALA MB 1 137 LEU HA 1.800 . 5.330 4.099 3.200 4.623 . 0 0 "[ . 1 . 2]" 1
1543 1 135 ALA MB 1 137 LEU MD1 1.800 . 4.400 3.322 2.020 4.355 . 0 0 "[ . 1 . 2]" 1
1544 1 135 ALA MB 1 137 LEU MD2 1.800 . 4.210 2.545 1.961 3.963 . 0 0 "[ . 1 . 2]" 1
1545 1 135 ALA MB 1 137 LEU H 1.800 . 4.530 3.196 2.375 4.266 . 0 0 "[ . 1 . 2]" 1
1546 1 135 ALA H 1 135 ALA MB 1.800 . 2.990 2.262 2.218 2.304 . 0 0 "[ . 1 . 2]" 1
1547 1 135 ALA H 1 136 GLY H 1.800 . 3.850 2.502 2.244 2.649 . 0 0 "[ . 1 . 2]" 1
1548 1 136 GLY QA 1 137 LEU HG 1.800 . 5.840 4.537 4.042 5.874 0.034 19 0 "[ . 1 . 2]" 1
1549 1 136 GLY H 1 137 LEU MD2 1.800 . 5.440 4.308 2.876 5.496 0.056 13 0 "[ . 1 . 2]" 1
1550 1 137 LEU HA 1 137 LEU MD1 1.800 . 4.390 3.614 2.040 3.992 . 0 0 "[ . 1 . 2]" 1
1551 1 137 LEU HA 1 137 LEU MD2 1.800 . 3.450 2.306 2.063 3.649 0.199 13 0 "[ . 1 . 2]" 1
1552 1 137 LEU HA 1 137 LEU HG 1.800 . 3.790 3.279 2.461 3.772 . 0 0 "[ . 1 . 2]" 1
1553 1 137 LEU HA 1 138 GLU H 1.800 . 3.560 2.935 2.160 3.616 0.056 14 0 "[ . 1 . 2]" 1
1554 1 137 LEU QB 1 137 LEU MD1 1.800 . 3.230 2.197 2.123 2.472 . 0 0 "[ . 1 . 2]" 1
1555 1 137 LEU QB 1 137 LEU MD2 1.800 . 3.510 2.392 2.118 2.501 . 0 0 "[ . 1 . 2]" 1
1556 1 137 LEU QB 1 138 GLU H 1.800 . 4.250 3.409 1.815 3.931 . 0 0 "[ . 1 . 2]" 1
1557 1 137 LEU MD2 1 138 GLU H 1.800 . 4.970 4.394 3.835 4.748 . 0 0 "[ . 1 . 2]" 1
1558 1 137 LEU HG 1 138 GLU H 1.800 . 5.790 5.001 4.140 6.012 0.222 19 0 "[ . 1 . 2]" 1
1559 1 137 LEU H 1 137 LEU QB 1.800 . 3.770 3.037 2.409 3.466 . 0 0 "[ . 1 . 2]" 1
1560 1 137 LEU H 1 137 LEU MD1 1.800 . 5.010 3.999 2.242 4.654 . 0 0 "[ . 1 . 2]" 1
1561 1 137 LEU H 1 137 LEU MD2 1.800 . 4.130 2.939 1.952 4.400 0.270 13 0 "[ . 1 . 2]" 1
1562 1 137 LEU H 1 138 GLU H 1.800 . 3.850 3.099 2.465 4.059 0.209 15 0 "[ . 1 . 2]" 1
1563 1 138 GLU H 1 138 GLU QB 1.800 . 3.480 2.552 2.167 3.398 . 0 0 "[ . 1 . 2]" 1
1564 1 138 GLU H 1 138 GLU HG3 1.800 . 4.360 3.235 1.960 4.616 0.256 13 0 "[ . 1 . 2]" 1
1565 1 138 GLU H 1 138 GLU HG2 1.800 . 4.360 3.356 2.049 4.421 0.061 12 0 "[ . 1 . 2]" 1
1566 1 143 HIS HA 1 144 HIS H 1.800 . 3.630 2.670 2.138 3.588 . 0 0 "[ . 1 . 2]" 1
1567 1 144 HIS H 1 144 HIS QB 1.800 . 3.890 2.794 2.268 3.465 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 122
_Distance_constraint_stats_list.Viol_count 69
_Distance_constraint_stats_list.Viol_total 35.369
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0055
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0256
_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 3 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ILE 0.098 0.065 5 0 "[ . 1 . 2]"
1 7 ALA 0.012 0.012 20 0 "[ . 1 . 2]"
1 9 ILE 0.008 0.008 14 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 0.016 0.016 13 0 "[ . 1 . 2]"
1 15 ALA 0.043 0.024 14 0 "[ . 1 . 2]"
1 16 VAL 0.064 0.033 4 0 "[ . 1 . 2]"
1 17 TRP 0.018 0.010 3 0 "[ . 1 . 2]"
1 18 TRP 0.016 0.016 13 0 "[ . 1 . 2]"
1 19 ALA 0.043 0.024 14 0 "[ . 1 . 2]"
1 20 TRP 0.064 0.033 4 0 "[ . 1 . 2]"
1 21 ASN 0.018 0.010 3 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PRO 0.155 0.056 7 0 "[ . 1 . 2]"
1 27 ALA 0.155 0.056 7 0 "[ . 1 . 2]"
1 37 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.024 0.023 9 0 "[ . 1 . 2]"
1 42 ARG 0.171 0.070 12 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PHE 0.096 0.059 12 0 "[ . 1 . 2]"
1 52 CYS 0.171 0.070 12 0 "[ . 1 . 2]"
1 53 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 HIS 0.024 0.023 9 0 "[ . 1 . 2]"
1 55 MET 0.071 0.033 7 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 0.071 0.033 7 0 "[ . 1 . 2]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.096 0.059 12 0 "[ . 1 . 2]"
1 69 THR 0.014 0.014 12 0 "[ . 1 . 2]"
1 70 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.085 0.044 10 0 "[ . 1 . 2]"
1 77 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ARG 0.085 0.044 10 0 "[ . 1 . 2]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 PHE 0.006 0.006 10 0 "[ . 1 . 2]"
1 82 VAL 0.014 0.014 12 0 "[ . 1 . 2]"
1 83 MET 0.057 0.037 17 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ARG 0.057 0.037 17 0 "[ . 1 . 2]"
1 88 GLU 0.146 0.067 3 0 "[ . 1 . 2]"
1 89 VAL 0.006 0.006 10 0 "[ . 1 . 2]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLU 0.005 0.005 8 0 "[ . 1 . 2]"
1 99 GLY 0.005 0.005 8 0 "[ . 1 . 2]"
1 100 THR 0.008 0.008 14 0 "[ . 1 . 2]"
1 101 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 VAL 0.012 0.012 20 0 "[ . 1 . 2]"
1 103 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLU 0.098 0.065 5 0 "[ . 1 . 2]"
1 105 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ASP 0.146 0.067 3 0 "[ . 1 . 2]"
1 113 THR 0.279 0.082 16 0 "[ . 1 . 2]"
1 114 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ALA 0.082 0.063 15 0 "[ . 1 . 2]"
1 116 GLN 0.015 0.015 18 0 "[ . 1 . 2]"
1 117 GLN 0.279 0.082 16 0 "[ . 1 . 2]"
1 118 GLN 0.029 0.029 15 0 "[ . 1 . 2]"
1 119 ALA 0.082 0.063 15 0 "[ . 1 . 2]"
1 120 GLY 0.015 0.015 18 0 "[ . 1 . 2]"
1 121 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 GLN 0.029 0.029 15 0 "[ . 1 . 2]"
1 123 GLY 0.149 0.048 11 0 "[ . 1 . 2]"
1 124 ILE 0.005 0.005 7 0 "[ . 1 . 2]"
1 125 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ASN 0.149 0.048 11 0 "[ . 1 . 2]"
1 128 PHE 0.005 0.005 7 0 "[ . 1 . 2]"
1 129 LYS 0.083 0.058 6 0 "[ . 1 . 2]"
1 130 ARG 0.018 0.018 19 0 "[ . 1 . 2]"
1 131 TYR 0.019 0.019 5 0 "[ . 1 . 2]"
1 133 GLU 0.083 0.058 6 0 "[ . 1 . 2]"
1 134 ALA 0.018 0.018 19 0 "[ . 1 . 2]"
1 135 ALA 0.019 0.019 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ILE H 1 106 PHE O 1.700 . 2.300 1.991 1.884 2.203 . 0 0 "[ . 1 . 2]" 2
2 1 3 ILE N 1 106 PHE O 2.700 2.700 3.300 2.874 2.715 2.976 . 0 0 "[ . 1 . 2]" 2
3 1 5 ILE H 1 104 GLU O 1.700 . 2.300 2.008 1.900 2.187 . 0 0 "[ . 1 . 2]" 2
4 1 5 ILE N 1 104 GLU O 2.700 2.700 3.300 2.933 2.773 3.141 . 0 0 "[ . 1 . 2]" 2
5 1 7 ALA H 1 102 VAL O 1.700 . 2.300 2.079 1.960 2.299 . 0 0 "[ . 1 . 2]" 2
6 1 7 ALA N 1 102 VAL O 2.700 2.700 3.300 2.874 2.728 3.027 . 0 0 "[ . 1 . 2]" 2
7 1 9 ILE H 1 100 THR O 1.700 . 2.300 2.097 1.984 2.308 0.008 14 0 "[ . 1 . 2]" 2
8 1 9 ILE N 1 100 THR O 2.700 2.700 3.300 2.973 2.889 3.138 . 0 0 "[ . 1 . 2]" 2
9 1 12 GLU O 1 16 VAL H 1.700 . 2.300 2.028 1.931 2.152 . 0 0 "[ . 1 . 2]" 2
10 1 12 GLU O 1 16 VAL N 2.700 2.700 3.300 2.965 2.894 3.093 . 0 0 "[ . 1 . 2]" 2
11 1 13 ILE O 1 17 TRP H 1.700 . 2.300 2.059 1.968 2.249 . 0 0 "[ . 1 . 2]" 2
12 1 13 ILE O 1 17 TRP N 2.700 2.700 3.300 2.962 2.840 3.116 . 0 0 "[ . 1 . 2]" 2
13 1 14 GLU O 1 18 TRP H 1.700 . 2.300 2.075 1.944 2.316 0.016 13 0 "[ . 1 . 2]" 2
14 1 14 GLU O 1 18 TRP N 2.700 2.700 3.300 2.936 2.784 3.255 . 0 0 "[ . 1 . 2]" 2
15 1 15 ALA O 1 19 ALA H 1.700 . 2.300 2.162 2.040 2.324 0.024 14 0 "[ . 1 . 2]" 2
16 1 15 ALA O 1 19 ALA N 2.700 2.700 3.300 3.107 2.965 3.297 . 0 0 "[ . 1 . 2]" 2
17 1 16 VAL O 1 20 TRP H 1.700 . 2.300 2.216 2.094 2.333 0.033 4 0 "[ . 1 . 2]" 2
18 1 16 VAL O 1 20 TRP N 2.700 2.700 3.300 3.008 2.853 3.196 . 0 0 "[ . 1 . 2]" 2
19 1 17 TRP O 1 21 ASN H 1.700 . 2.300 2.135 1.986 2.299 . 0 0 "[ . 1 . 2]" 2
20 1 17 TRP O 1 21 ASN N 2.700 2.700 3.300 2.907 2.690 3.200 0.010 3 0 "[ . 1 . 2]" 2
21 1 18 TRP O 1 22 ASP H 1.700 . 2.300 2.024 1.954 2.119 . 0 0 "[ . 1 . 2]" 2
22 1 18 TRP O 1 22 ASP N 2.700 2.700 3.300 2.874 2.750 3.005 . 0 0 "[ . 1 . 2]" 2
23 1 23 PRO O 1 27 ALA H 1.700 . 2.300 2.221 2.087 2.356 0.056 7 0 "[ . 1 . 2]" 2
24 1 23 PRO O 1 27 ALA N 2.700 2.700 3.300 3.040 2.810 3.277 . 0 0 "[ . 1 . 2]" 2
25 1 37 HIS H 1 56 ALA O 1.700 . 2.300 2.056 1.931 2.292 . 0 0 "[ . 1 . 2]" 2
26 1 37 HIS N 1 56 ALA O 2.700 2.700 3.300 2.895 2.775 3.103 . 0 0 "[ . 1 . 2]" 2
27 1 42 ARG H 1 52 CYS O 1.700 . 2.300 2.152 1.894 2.370 0.070 12 0 "[ . 1 . 2]" 2
28 1 42 ARG N 1 52 CYS O 2.700 2.700 3.300 2.997 2.792 3.174 . 0 0 "[ . 1 . 2]" 2
29 1 44 ASP H 1 50 ARG O 1.700 . 2.300 2.091 1.898 2.288 . 0 0 "[ . 1 . 2]" 2
30 1 44 ASP N 1 50 ARG O 2.700 2.700 3.300 2.967 2.776 3.164 . 0 0 "[ . 1 . 2]" 2
31 1 48 GLY H 1 70 PHE O 1.700 . 2.300 2.036 1.949 2.183 . 0 0 "[ . 1 . 2]" 2
32 1 48 GLY N 1 70 PHE O 2.700 2.700 3.300 2.918 2.836 3.005 . 0 0 "[ . 1 . 2]" 2
33 1 51 PHE H 1 68 GLY O 1.700 . 2.300 2.067 1.944 2.215 . 0 0 "[ . 1 . 2]" 2
34 1 51 PHE N 1 68 GLY O 2.700 2.700 3.300 3.015 2.898 3.136 . 0 0 "[ . 1 . 2]" 2
35 1 42 ARG O 1 52 CYS H 1.700 . 2.300 2.031 1.925 2.148 . 0 0 "[ . 1 . 2]" 2
36 1 42 ARG O 1 52 CYS N 2.700 2.700 3.300 2.933 2.769 3.107 . 0 0 "[ . 1 . 2]" 2
37 1 53 HIS H 1 66 PHE O 1.700 . 2.300 2.080 1.972 2.212 . 0 0 "[ . 1 . 2]" 2
38 1 53 HIS N 1 66 PHE O 2.700 2.700 3.300 2.963 2.875 3.062 . 0 0 "[ . 1 . 2]" 2
39 1 40 GLY O 1 54 HIS H 1.700 . 2.300 2.061 1.998 2.323 0.023 9 0 "[ . 1 . 2]" 2
40 1 40 GLY O 1 54 HIS N 2.700 2.700 3.300 2.946 2.762 3.300 0.000 9 0 "[ . 1 . 2]" 2
41 1 55 MET H 1 64 PHE O 1.700 . 2.300 2.140 1.918 2.333 0.033 7 0 "[ . 1 . 2]" 2
42 1 55 MET N 1 64 PHE O 2.700 2.700 3.300 2.939 2.824 3.212 . 0 0 "[ . 1 . 2]" 2
43 1 37 HIS O 1 56 ALA H 1.700 . 2.300 2.042 1.944 2.165 . 0 0 "[ . 1 . 2]" 2
44 1 37 HIS O 1 56 ALA N 2.700 2.700 3.300 2.956 2.838 3.106 . 0 0 "[ . 1 . 2]" 2
45 1 57 ALA H 1 62 ALA O 1.700 . 2.300 2.033 1.908 2.254 . 0 0 "[ . 1 . 2]" 2
46 1 57 ALA N 1 62 ALA O 2.700 2.700 3.300 2.967 2.871 3.183 . 0 0 "[ . 1 . 2]" 2
47 1 55 MET O 1 64 PHE H 1.700 . 2.300 2.077 1.921 2.283 . 0 0 "[ . 1 . 2]" 2
48 1 55 MET O 1 64 PHE N 2.700 2.700 3.300 2.904 2.776 3.156 . 0 0 "[ . 1 . 2]" 2
49 1 51 PHE O 1 68 GLY H 1.700 . 2.300 2.215 2.044 2.359 0.059 12 0 "[ . 1 . 2]" 2
50 1 51 PHE O 1 68 GLY N 2.700 2.700 3.300 3.071 2.912 3.227 . 0 0 "[ . 1 . 2]" 2
51 1 69 THR H 1 82 VAL O 1.700 . 2.300 2.028 1.901 2.314 0.014 12 0 "[ . 1 . 2]" 2
52 1 69 THR N 1 82 VAL O 2.700 2.700 3.300 2.930 2.795 3.159 . 0 0 "[ . 1 . 2]" 2
53 1 49 GLY O 1 70 PHE H 1.700 . 2.300 1.985 1.925 2.167 . 0 0 "[ . 1 . 2]" 2
54 1 49 GLY O 1 70 PHE N 2.700 2.700 3.300 2.831 2.739 3.012 . 0 0 "[ . 1 . 2]" 2
55 1 74 GLU H 1 78 ARG O 1.700 . 2.300 2.213 2.024 2.344 0.044 10 0 "[ . 1 . 2]" 2
56 1 74 GLU N 1 78 ARG O 2.700 2.700 3.300 3.031 2.939 3.187 . 0 0 "[ . 1 . 2]" 2
57 1 79 LEU H 1 91 VAL O 1.700 . 2.300 1.973 1.888 2.178 . 0 0 "[ . 1 . 2]" 2
58 1 79 LEU N 1 91 VAL O 2.700 2.700 3.300 2.881 2.824 2.953 . 0 0 "[ . 1 . 2]" 2
59 1 72 ARG O 1 80 SER H 1.700 . 2.300 1.984 1.935 2.061 . 0 0 "[ . 1 . 2]" 2
60 1 72 ARG O 1 80 SER N 2.700 2.700 3.300 2.876 2.733 2.975 . 0 0 "[ . 1 . 2]" 2
61 1 81 PHE H 1 89 VAL O 1.700 . 2.300 2.062 1.924 2.306 0.006 10 0 "[ . 1 . 2]" 2
62 1 81 PHE N 1 89 VAL O 2.700 2.700 3.300 2.989 2.870 3.209 . 0 0 "[ . 1 . 2]" 2
63 1 69 THR O 1 82 VAL H 1.700 . 2.300 2.058 1.935 2.220 . 0 0 "[ . 1 . 2]" 2
64 1 69 THR O 1 82 VAL N 2.700 2.700 3.300 3.000 2.885 3.177 . 0 0 "[ . 1 . 2]" 2
65 1 83 MET H 1 87 ARG O 1.700 . 2.300 2.023 1.900 2.337 0.037 17 0 "[ . 1 . 2]" 2
66 1 83 MET N 1 87 ARG O 2.700 2.700 3.300 2.970 2.752 3.284 . 0 0 "[ . 1 . 2]" 2
67 1 83 MET O 1 86 GLY H 1.700 . 2.300 2.082 1.981 2.186 . 0 0 "[ . 1 . 2]" 2
68 1 83 MET O 1 86 GLY N 2.700 2.700 3.300 2.974 2.870 3.090 . 0 0 "[ . 1 . 2]" 2
69 1 81 PHE O 1 89 VAL H 1.700 . 2.300 1.990 1.884 2.061 . 0 0 "[ . 1 . 2]" 2
70 1 81 PHE O 1 89 VAL N 2.700 2.700 3.300 2.877 2.785 2.973 . 0 0 "[ . 1 . 2]" 2
71 1 90 ASP H 1 105 THR O 1.700 . 2.300 1.959 1.897 2.098 . 0 0 "[ . 1 . 2]" 2
72 1 90 ASP N 1 105 THR O 2.700 2.700 3.300 2.848 2.761 2.960 . 0 0 "[ . 1 . 2]" 2
73 1 79 LEU O 1 91 VAL H 1.700 . 2.300 1.981 1.908 2.080 . 0 0 "[ . 1 . 2]" 2
74 1 79 LEU O 1 91 VAL N 2.700 2.700 3.300 2.834 2.770 2.922 . 0 0 "[ . 1 . 2]" 2
75 1 92 GLN H 1 103 GLN O 1.700 . 2.300 1.957 1.905 2.026 . 0 0 "[ . 1 . 2]" 2
76 1 92 GLN N 1 103 GLN O 2.700 2.700 3.300 2.874 2.780 2.952 . 0 0 "[ . 1 . 2]" 2
77 1 77 THR O 1 93 PHE H 1.700 . 2.300 2.018 1.937 2.135 . 0 0 "[ . 1 . 2]" 2
78 1 77 THR O 1 93 PHE N 2.700 2.700 3.300 2.901 2.787 2.978 . 0 0 "[ . 1 . 2]" 2
79 1 94 ALA H 1 101 TRP O 1.700 . 2.300 2.030 1.938 2.133 . 0 0 "[ . 1 . 2]" 2
80 1 94 ALA N 1 101 TRP O 2.700 2.700 3.300 2.940 2.741 3.041 . 0 0 "[ . 1 . 2]" 2
81 1 96 GLU H 1 99 GLY O 1.700 . 2.300 2.103 1.968 2.305 0.005 8 0 "[ . 1 . 2]" 2
82 1 96 GLU N 1 99 GLY O 2.700 2.700 3.300 3.018 2.802 3.230 . 0 0 "[ . 1 . 2]" 2
83 1 94 ALA O 1 101 TRP H 1.700 . 2.300 1.992 1.931 2.101 . 0 0 "[ . 1 . 2]" 2
84 1 94 ALA O 1 101 TRP N 2.700 2.700 3.300 2.839 2.740 2.960 . 0 0 "[ . 1 . 2]" 2
85 1 7 ALA O 1 102 VAL H 1.700 . 2.300 2.038 1.949 2.312 0.012 20 0 "[ . 1 . 2]" 2
86 1 7 ALA O 1 102 VAL N 2.700 2.700 3.300 2.907 2.806 3.118 . 0 0 "[ . 1 . 2]" 2
87 1 92 GLN O 1 103 GLN H 1.700 . 2.300 1.997 1.914 2.133 . 0 0 "[ . 1 . 2]" 2
88 1 92 GLN O 1 103 GLN N 2.700 2.700 3.300 2.874 2.763 3.010 . 0 0 "[ . 1 . 2]" 2
89 1 5 ILE O 1 104 GLU H 1.700 . 2.300 2.125 1.981 2.365 0.065 5 0 "[ . 1 . 2]" 2
90 1 5 ILE O 1 104 GLU N 2.700 2.700 3.300 2.885 2.799 2.982 . 0 0 "[ . 1 . 2]" 2
91 1 90 ASP O 1 105 THR H 1.700 . 2.300 2.005 1.858 2.132 . 0 0 "[ . 1 . 2]" 2
92 1 90 ASP O 1 105 THR N 2.700 2.700 3.300 2.896 2.741 3.027 . 0 0 "[ . 1 . 2]" 2
93 1 3 ILE O 1 106 PHE H 1.700 . 2.300 2.062 1.940 2.210 . 0 0 "[ . 1 . 2]" 2
94 1 3 ILE O 1 106 PHE N 2.700 2.700 3.300 3.012 2.901 3.146 . 0 0 "[ . 1 . 2]" 2
95 1 88 GLU O 1 107 ASP H 1.700 . 2.300 2.113 1.869 2.367 0.067 3 0 "[ . 1 . 2]" 2
96 1 88 GLU O 1 107 ASP N 2.700 2.700 3.300 2.954 2.744 3.219 . 0 0 "[ . 1 . 2]" 2
97 1 113 THR O 1 117 GLN H 1.700 . 2.300 2.222 2.023 2.382 0.082 16 0 "[ . 1 . 2]" 2
98 1 113 THR O 1 117 GLN N 2.700 2.700 3.300 3.137 2.875 3.315 0.015 12 0 "[ . 1 . 2]" 2
99 1 114 PRO O 1 118 GLN H 1.700 . 2.300 2.010 1.948 2.139 . 0 0 "[ . 1 . 2]" 2
100 1 114 PRO O 1 118 GLN N 2.700 2.700 3.300 2.936 2.868 3.075 . 0 0 "[ . 1 . 2]" 2
101 1 115 ALA O 1 119 ALA H 1.700 . 2.300 2.168 2.037 2.363 0.063 15 0 "[ . 1 . 2]" 2
102 1 115 ALA O 1 119 ALA N 2.700 2.700 3.300 3.080 2.960 3.301 0.001 15 0 "[ . 1 . 2]" 2
103 1 116 GLN O 1 120 GLY H 1.700 . 2.300 2.153 2.067 2.315 0.015 18 0 "[ . 1 . 2]" 2
104 1 116 GLN O 1 120 GLY N 2.700 2.700 3.300 2.941 2.805 3.151 . 0 0 "[ . 1 . 2]" 2
105 1 117 GLN O 1 121 TRP H 1.700 . 2.300 2.017 1.899 2.296 . 0 0 "[ . 1 . 2]" 2
106 1 117 GLN O 1 121 TRP N 2.700 2.700 3.300 2.980 2.838 3.260 . 0 0 "[ . 1 . 2]" 2
107 1 118 GLN O 1 122 GLN H 1.700 . 2.300 2.077 1.923 2.329 0.029 15 0 "[ . 1 . 2]" 2
108 1 118 GLN O 1 122 GLN N 2.700 2.700 3.300 2.971 2.857 3.161 . 0 0 "[ . 1 . 2]" 2
109 1 122 GLN O 1 126 ASP H 1.700 . 2.300 1.979 1.893 2.049 . 0 0 "[ . 1 . 2]" 2
110 1 122 GLN O 1 126 ASP N 2.700 2.700 3.300 2.869 2.805 2.933 . 0 0 "[ . 1 . 2]" 2
111 1 123 GLY O 1 127 ASN H 1.700 . 2.300 2.163 1.962 2.348 0.048 11 0 "[ . 1 . 2]" 2
112 1 123 GLY O 1 127 ASN N 2.700 2.700 3.300 2.986 2.811 3.209 . 0 0 "[ . 1 . 2]" 2
113 1 124 ILE O 1 128 PHE H 1.700 . 2.300 2.108 1.998 2.305 0.005 7 0 "[ . 1 . 2]" 2
114 1 124 ILE O 1 128 PHE N 2.700 2.700 3.300 2.941 2.819 3.113 . 0 0 "[ . 1 . 2]" 2
115 1 125 LEU O 1 129 LYS H 1.700 . 2.300 2.012 1.885 2.143 . 0 0 "[ . 1 . 2]" 2
116 1 125 LEU O 1 129 LYS N 2.700 2.700 3.300 2.940 2.847 3.029 . 0 0 "[ . 1 . 2]" 2
117 1 129 LYS O 1 133 GLU H 1.700 . 2.300 2.187 1.967 2.358 0.058 6 0 "[ . 1 . 2]" 2
118 1 129 LYS O 1 133 GLU N 2.700 2.700 3.300 3.116 2.920 3.308 0.008 6 0 "[ . 1 . 2]" 2
119 1 130 ARG O 1 134 ALA H 1.700 . 2.300 2.169 2.057 2.318 0.018 19 0 "[ . 1 . 2]" 2
120 1 130 ARG O 1 134 ALA N 2.700 2.700 3.300 2.958 2.809 3.149 . 0 0 "[ . 1 . 2]" 2
121 1 131 TYR O 1 135 ALA H 1.700 . 2.300 2.059 1.925 2.319 0.019 5 0 "[ . 1 . 2]" 2
122 1 131 TYR O 1 135 ALA N 2.700 2.700 3.300 2.911 2.710 3.154 . 0 0 "[ . 1 . 2]" 2
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