NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
442279 |
2kcd   |
16072 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kcd
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 1124
_Distance_constraint_stats_list.Viol_count 758
_Distance_constraint_stats_list.Viol_total 908.075
_Distance_constraint_stats_list.Viol_max 0.467
_Distance_constraint_stats_list.Viol_rms 0.0151
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0599
_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 2 THR 0.516 0.189 13 0 "[ . 1 . 2]"
1 3 LEU 2.421 0.242 13 0 "[ . 1 . 2]"
1 4 GLU 0.064 0.053 15 0 "[ . 1 . 2]"
1 5 LEU 0.030 0.030 6 0 "[ . 1 . 2]"
1 6 GLN 0.528 0.142 3 0 "[ . 1 . 2]"
1 7 LEU 0.228 0.121 7 0 "[ . 1 . 2]"
1 8 LYS 0.093 0.060 6 0 "[ . 1 . 2]"
1 9 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 TYR 0.652 0.118 7 0 "[ . 1 . 2]"
1 11 ILE 1.257 0.138 13 0 "[ . 1 . 2]"
1 12 THR 0.754 0.136 6 0 "[ . 1 . 2]"
1 13 ASN 0.467 0.054 2 0 "[ . 1 . 2]"
1 14 LEU 0.553 0.138 13 0 "[ . 1 . 2]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LEU 0.923 0.138 7 0 "[ . 1 . 2]"
1 18 PRO 0.157 0.085 6 0 "[ . 1 . 2]"
1 19 ARG 0.532 0.095 9 0 "[ . 1 . 2]"
1 20 ASP 0.015 0.014 13 0 "[ . 1 . 2]"
1 21 GLU 0.039 0.035 4 0 "[ . 1 . 2]"
1 22 LYS 0.016 0.016 10 0 "[ . 1 . 2]"
1 23 TRP 0.340 0.136 6 0 "[ . 1 . 2]"
1 24 GLU 0.832 0.217 8 0 "[ . 1 . 2]"
1 25 CYS 0.577 0.112 14 0 "[ . 1 . 2]"
1 26 GLU 0.519 0.176 10 0 "[ . 1 . 2]"
1 27 SER 0.205 0.080 17 0 "[ . 1 . 2]"
1 28 ILE 1.334 0.406 19 0 "[ . 1 . 2]"
1 29 GLU 0.312 0.093 4 0 "[ . 1 . 2]"
1 30 GLU 0.325 0.079 5 0 "[ . 1 . 2]"
1 31 VAL 0.756 0.085 3 0 "[ . 1 . 2]"
1 32 ALA 0.872 0.182 18 0 "[ . 1 . 2]"
1 33 ASP 0.845 0.142 15 0 "[ . 1 . 2]"
1 34 ASP 0.047 0.021 13 0 "[ . 1 . 2]"
1 35 ILE 0.771 0.166 1 0 "[ . 1 . 2]"
1 36 LEU 1.834 0.373 7 0 "[ . 1 . 2]"
1 37 PRO 0.716 0.153 2 0 "[ . 1 . 2]"
1 38 ASP 0.006 0.005 2 0 "[ . 1 . 2]"
1 39 GLN 0.155 0.073 20 0 "[ . 1 . 2]"
1 40 TYR 0.756 0.100 15 0 "[ . 1 . 2]"
1 41 VAL 1.713 0.303 20 0 "[ . 1 . 2]"
1 42 ARG 1.223 0.303 20 0 "[ . 1 . 2]"
1 43 LEU 1.137 0.221 15 0 "[ . 1 . 2]"
1 44 GLY 0.283 0.132 1 0 "[ . 1 . 2]"
1 45 PRO 0.077 0.047 15 0 "[ . 1 . 2]"
1 46 LEU 0.694 0.161 14 0 "[ . 1 . 2]"
1 47 SER 0.138 0.106 13 0 "[ . 1 . 2]"
1 48 ASN 0.294 0.072 9 0 "[ . 1 . 2]"
1 49 LYS 0.604 0.156 12 0 "[ . 1 . 2]"
1 50 ILE 0.374 0.085 3 0 "[ . 1 . 2]"
1 51 LEU 0.978 0.291 18 0 "[ . 1 . 2]"
1 52 GLN 0.170 0.093 4 0 "[ . 1 . 2]"
1 53 THR 0.648 0.429 1 0 "[ . 1 . 2]"
1 54 ASN 0.436 0.082 6 0 "[ . 1 . 2]"
1 55 THR 0.657 0.098 7 0 "[ . 1 . 2]"
1 56 TYR 0.207 0.106 16 0 "[ . 1 . 2]"
1 57 TYR 1.096 0.217 8 0 "[ . 1 . 2]"
1 58 SER 0.148 0.065 20 0 "[ . 1 . 2]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 THR 1.501 0.202 20 0 "[ . 1 . 2]"
1 61 LEU 1.114 0.195 9 0 "[ . 1 . 2]"
1 62 HIS 0.234 0.068 11 0 "[ . 1 . 2]"
1 63 LYS 1.126 0.202 20 0 "[ . 1 . 2]"
1 64 SER 0.026 0.015 4 0 "[ . 1 . 2]"
1 65 ASN 0.192 0.099 16 0 "[ . 1 . 2]"
1 66 ILE 1.249 0.122 17 0 "[ . 1 . 2]"
1 67 TYR 0.118 0.055 11 0 "[ . 1 . 2]"
1 68 PRO 0.474 0.273 7 0 "[ . 1 . 2]"
1 69 PHE 1.124 0.198 11 0 "[ . 1 . 2]"
1 70 ILE 2.192 0.242 13 0 "[ . 1 . 2]"
1 71 LEU 2.196 0.429 1 0 "[ . 1 . 2]"
1 72 TYR 0.922 0.195 11 0 "[ . 1 . 2]"
1 73 TYR 0.762 0.094 14 0 "[ . 1 . 2]"
1 74 GLN 0.765 0.246 11 0 "[ . 1 . 2]"
1 75 LYS 0.595 0.246 11 0 "[ . 1 . 2]"
1 76 GLN 1.265 0.247 3 0 "[ . 1 . 2]"
1 77 LEU 2.271 0.247 3 0 "[ . 1 . 2]"
1 78 ILE 2.154 0.467 13 0 "[ . 1 . 2]"
1 79 ALA 0.503 0.112 18 0 "[ . 1 . 2]"
1 80 ILE 2.309 0.179 18 0 "[ . 1 . 2]"
1 81 GLY 0.099 0.054 12 0 "[ . 1 . 2]"
1 82 PHE 0.458 0.273 7 0 "[ . 1 . 2]"
1 83 ILE 1.544 0.127 14 0 "[ . 1 . 2]"
1 84 ASP 0.979 0.151 11 0 "[ . 1 . 2]"
1 85 GLU 1.226 0.231 19 0 "[ . 1 . 2]"
1 86 ASN 0.891 0.231 19 0 "[ . 1 . 2]"
1 87 HIS 0.547 0.134 2 0 "[ . 1 . 2]"
1 88 ASP 0.611 0.134 2 0 "[ . 1 . 2]"
1 89 MET 0.602 0.127 14 0 "[ . 1 . 2]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 PHE 0.664 0.100 17 0 "[ . 1 . 2]"
1 92 LEU 1.204 0.170 6 0 "[ . 1 . 2]"
1 93 TYR 0.781 0.150 6 0 "[ . 1 . 2]"
1 94 LEU 0.482 0.112 9 0 "[ . 1 . 2]"
1 95 HIS 1.440 0.186 16 0 "[ . 1 . 2]"
1 96 ASN 1.109 0.101 15 0 "[ . 1 . 2]"
1 97 THR 0.596 0.087 7 0 "[ . 1 . 2]"
1 98 VAL 3.617 0.204 9 0 "[ . 1 . 2]"
1 99 MET 2.082 0.203 15 0 "[ . 1 . 2]"
1 100 PRO 0.313 0.074 12 0 "[ . 1 . 2]"
1 101 LEU 1.450 0.131 10 0 "[ . 1 . 2]"
1 102 LEU 1.366 0.203 10 0 "[ . 1 . 2]"
1 103 ASP 0.387 0.052 3 0 "[ . 1 . 2]"
1 104 GLN 0.706 0.122 18 0 "[ . 1 . 2]"
1 105 ARG 0.698 0.127 6 0 "[ . 1 . 2]"
1 106 TYR 0.407 0.061 2 0 "[ . 1 . 2]"
1 107 LEU 0.313 0.122 18 0 "[ . 1 . 2]"
1 108 LEU 1.539 0.127 6 0 "[ . 1 . 2]"
1 109 THR 0.287 0.105 9 0 "[ . 1 . 2]"
1 110 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 GLN 0.171 0.104 17 0 "[ . 1 . 2]"
1 113 LEU 0.502 0.104 17 0 "[ . 1 . 2]"
1 114 GLU 0.227 0.099 3 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 2 THR HA 1 2 THR MG 1.800 . 3.520 2.395 2.250 3.199 . 0 0 "[ . 1 . 2]" 1
2 1 2 THR HB 1 3 LEU H 1.800 . 4.210 3.694 2.481 4.399 0.189 13 0 "[ . 1 . 2]" 1
3 1 2 THR MG 1 3 LEU H 1.800 . 4.520 3.804 2.417 4.295 . 0 0 "[ . 1 . 2]" 1
4 1 3 LEU HA 1 3 LEU MD1 1.800 . 4.150 3.250 2.105 3.852 . 0 0 "[ . 1 . 2]" 1
5 1 3 LEU HA 1 3 LEU MD2 1.800 . 4.150 2.684 2.138 4.042 . 0 0 "[ . 1 . 2]" 1
6 1 3 LEU HA 1 6 GLN QG 1.800 . 4.050 3.641 2.708 4.192 0.142 3 0 "[ . 1 . 2]" 1
7 1 3 LEU HA 1 7 LEU H 1.800 . 4.590 4.010 3.569 4.538 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU QB 1 70 ILE MD 1.800 . 5.000 4.512 2.634 5.101 0.101 14 0 "[ . 1 . 2]" 1
9 1 3 LEU QB 1 80 ILE MD 1.800 . 5.000 2.868 2.115 4.717 . 0 0 "[ . 1 . 2]" 1
10 1 3 LEU HB3 1 3 LEU MD1 1.800 . 3.920 2.672 2.231 3.217 . 0 0 "[ . 1 . 2]" 1
11 1 3 LEU HB3 1 3 LEU MD2 1.800 . 3.920 2.367 2.189 3.197 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU HB3 1 4 GLU H 1.800 . 4.680 3.414 2.543 3.928 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU HB2 1 3 LEU MD1 1.800 . 3.920 2.377 2.213 3.222 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU HB2 1 3 LEU MD2 1.800 . 3.920 2.888 2.265 3.219 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU HB2 1 4 GLU H 1.800 . 4.680 2.859 2.543 3.836 . 0 0 "[ . 1 . 2]" 1
16 1 3 LEU QD 1 4 GLU H 1.800 . 5.300 3.883 2.510 4.133 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU QD 1 70 ILE MG 1.800 . 5.000 4.616 2.134 5.242 0.242 13 0 "[ . 1 . 2]" 1
18 1 3 LEU QD 1 77 LEU QB 1.800 . 5.000 3.400 2.180 4.677 . 0 0 "[ . 1 . 2]" 1
19 1 3 LEU QD 1 77 LEU MD1 1.800 . 5.000 3.207 2.117 3.983 . 0 0 "[ . 1 . 2]" 1
20 1 3 LEU QD 1 77 LEU MD2 1.800 . 5.000 2.083 1.818 2.794 . 0 0 "[ . 1 . 2]" 1
21 1 3 LEU QD 1 80 ILE MG 1.800 . 5.500 4.482 3.015 5.438 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU MD1 1 80 ILE MD 1.800 . 4.000 3.294 2.079 4.179 0.179 18 0 "[ . 1 . 2]" 1
23 1 3 LEU MD2 1 80 ILE MD 1.800 . 4.000 3.172 1.977 4.025 0.025 15 0 "[ . 1 . 2]" 1
24 1 3 LEU H 1 3 LEU HB3 1.800 . 4.150 3.387 2.572 3.624 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU H 1 3 LEU HB2 1.800 . 4.150 2.485 2.257 3.608 . 0 0 "[ . 1 . 2]" 1
26 1 4 GLU HA 1 4 GLU QG 1.800 . 3.880 2.656 2.306 3.317 . 0 0 "[ . 1 . 2]" 1
27 1 4 GLU HA 1 7 LEU QB 1.800 . 5.390 2.765 2.465 3.014 . 0 0 "[ . 1 . 2]" 1
28 1 4 GLU HA 1 7 LEU H 1.800 . 4.590 3.538 3.393 3.689 . 0 0 "[ . 1 . 2]" 1
29 1 4 GLU HA 1 70 ILE MD 1.800 . 4.000 2.977 2.373 3.866 . 0 0 "[ . 1 . 2]" 1
30 1 4 GLU QG 1 70 ILE MD 1.800 . 5.000 3.204 2.124 4.913 . 0 0 "[ . 1 . 2]" 1
31 1 4 GLU H 1 4 GLU HB3 1.800 . 3.980 3.064 2.486 3.615 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLU H 1 4 GLU HB2 1.800 . 3.980 2.701 2.420 3.610 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLU H 1 4 GLU QG 1.800 . 4.320 2.770 1.747 4.080 0.053 15 0 "[ . 1 . 2]" 1
34 1 4 GLU H 1 5 LEU H 1.800 . 4.040 2.771 2.629 3.014 . 0 0 "[ . 1 . 2]" 1
35 1 5 LEU HA 1 5 LEU QD 1.800 . 3.220 2.238 1.983 3.032 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU HA 1 5 LEU MD1 1.800 . 4.040 2.604 2.087 3.834 . 0 0 "[ . 1 . 2]" 1
37 1 5 LEU HA 1 5 LEU MD2 1.800 . 4.040 3.379 2.138 3.820 . 0 0 "[ . 1 . 2]" 1
38 1 5 LEU HA 1 5 LEU HG 1.800 . 4.160 2.863 2.353 3.643 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU HA 1 8 LYS QB 1.800 . 4.060 2.956 2.601 3.320 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU HA 1 8 LYS H 1.800 . 4.070 3.570 3.353 3.708 . 0 0 "[ . 1 . 2]" 1
41 1 5 LEU QB 1 6 GLN H 1.800 . 3.720 2.541 2.445 2.667 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU HB3 1 5 LEU MD1 1.800 . 3.940 2.987 2.240 3.217 . 0 0 "[ . 1 . 2]" 1
43 1 5 LEU HB3 1 5 LEU MD2 1.800 . 3.940 2.369 2.184 3.201 . 0 0 "[ . 1 . 2]" 1
44 1 5 LEU HB2 1 5 LEU MD1 1.800 . 3.940 2.359 2.176 3.219 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU HB2 1 5 LEU MD2 1.800 . 3.940 2.566 2.289 3.216 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU H 1 5 LEU QB 1.800 . 3.550 2.281 2.237 2.401 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU H 1 5 LEU QD 1.800 . 4.150 3.044 1.770 3.745 0.030 6 0 "[ . 1 . 2]" 1
48 1 5 LEU H 1 5 LEU HG 1.800 . 4.750 3.826 2.240 4.474 . 0 0 "[ . 1 . 2]" 1
49 1 5 LEU H 1 6 GLN H 1.800 . 3.870 2.669 2.582 2.708 . 0 0 "[ . 1 . 2]" 1
50 1 6 GLN HA 1 9 HIS H 1.800 . 4.510 3.473 3.384 3.695 . 0 0 "[ . 1 . 2]" 1
51 1 6 GLN QB 1 7 LEU H 1.800 . 4.290 2.591 2.402 2.694 . 0 0 "[ . 1 . 2]" 1
52 1 6 GLN QG 1 7 LEU H 1.800 . 4.350 3.984 3.593 4.471 0.121 7 0 "[ . 1 . 2]" 1
53 1 6 GLN H 1 6 GLN QG 1.800 . 4.040 2.945 2.139 4.071 0.031 15 0 "[ . 1 . 2]" 1
54 1 6 GLN H 1 7 LEU H 1.800 . 4.080 2.654 2.573 2.747 . 0 0 "[ . 1 . 2]" 1
55 1 7 LEU HA 1 7 LEU MD1 1.800 . 3.220 2.103 2.078 2.141 . 0 0 "[ . 1 . 2]" 1
56 1 7 LEU HA 1 7 LEU MD2 1.800 . 4.520 3.814 3.769 3.836 . 0 0 "[ . 1 . 2]" 1
57 1 7 LEU HA 1 10 TYR H 1.800 . 4.510 3.498 3.326 3.670 . 0 0 "[ . 1 . 2]" 1
58 1 7 LEU QB 1 7 LEU MD2 1.800 . 3.590 2.102 2.083 2.119 . 0 0 "[ . 1 . 2]" 1
59 1 7 LEU QB 1 70 ILE MD 1.800 . 4.710 3.201 2.676 3.895 . 0 0 "[ . 1 . 2]" 1
60 1 7 LEU QB 1 80 ILE MD 1.800 . 4.790 3.106 2.602 3.567 . 0 0 "[ . 1 . 2]" 1
61 1 7 LEU QB 1 80 ILE QG 1.800 . 5.250 4.575 4.173 5.074 . 0 0 "[ . 1 . 2]" 1
62 1 7 LEU QB 1 80 ILE MG 1.800 . 4.310 3.124 2.519 3.989 . 0 0 "[ . 1 . 2]" 1
63 1 7 LEU HB3 1 7 LEU MD1 1.800 . 3.630 3.210 3.203 3.215 . 0 0 "[ . 1 . 2]" 1
64 1 7 LEU HB2 1 7 LEU MD1 1.800 . 3.630 2.312 2.236 2.367 . 0 0 "[ . 1 . 2]" 1
65 1 7 LEU MD1 1 8 LYS H 1.800 . 5.180 4.374 4.246 4.557 . 0 0 "[ . 1 . 2]" 1
66 1 7 LEU MD1 1 10 TYR QB 1.800 . 4.210 2.943 2.620 3.310 . 0 0 "[ . 1 . 2]" 1
67 1 7 LEU MD1 1 10 TYR QD 1.800 . 4.350 3.073 2.556 3.501 . 0 0 "[ . 1 . 2]" 1
68 1 7 LEU MD1 1 11 ILE MD 1.800 . 3.820 2.866 2.129 3.798 . 0 0 "[ . 1 . 2]" 1
69 1 7 LEU MD1 1 11 ILE QG 1.800 . 5.000 2.853 2.232 4.753 . 0 0 "[ . 1 . 2]" 1
70 1 7 LEU MD1 1 68 PRO QB 1.800 . 5.180 4.193 3.114 5.235 0.055 7 0 "[ . 1 . 2]" 1
71 1 7 LEU MD1 1 80 ILE MD 1.800 . 4.390 3.180 2.166 4.351 . 0 0 "[ . 1 . 2]" 1
72 1 7 LEU MD1 1 92 LEU QD 1.800 . 4.300 2.221 1.923 3.058 . 0 0 "[ . 1 . 2]" 1
73 1 7 LEU MD2 1 8 LYS H 1.800 . 5.500 4.264 4.186 4.350 . 0 0 "[ . 1 . 2]" 1
74 1 7 LEU MD2 1 68 PRO QB 1.800 . 4.070 3.308 2.492 4.122 0.052 7 0 "[ . 1 . 2]" 1
75 1 7 LEU MD2 1 70 ILE QG 1.800 . 3.850 2.347 2.048 3.466 . 0 0 "[ . 1 . 2]" 1
76 1 7 LEU HG 1 70 ILE MD 1.800 . 5.180 4.276 3.971 5.096 . 0 0 "[ . 1 . 2]" 1
77 1 7 LEU H 1 7 LEU HB3 1.800 . 4.100 2.526 2.455 2.599 . 0 0 "[ . 1 . 2]" 1
78 1 7 LEU H 1 7 LEU HB2 1.800 . 4.100 2.571 2.520 2.629 . 0 0 "[ . 1 . 2]" 1
79 1 7 LEU H 1 7 LEU MD1 1.800 . 4.380 4.046 4.012 4.082 . 0 0 "[ . 1 . 2]" 1
80 1 7 LEU H 1 7 LEU MD2 1.800 . 5.220 4.298 4.271 4.327 . 0 0 "[ . 1 . 2]" 1
81 1 7 LEU H 1 8 LYS H 1.800 . 4.300 2.712 2.647 2.776 . 0 0 "[ . 1 . 2]" 1
82 1 8 LYS HA 1 8 LYS QD 1.800 . 5.010 3.833 2.229 4.161 . 0 0 "[ . 1 . 2]" 1
83 1 8 LYS HA 1 11 ILE HB 1.800 . 4.440 3.236 2.707 4.412 . 0 0 "[ . 1 . 2]" 1
84 1 8 LYS HA 1 11 ILE H 1.800 . 4.510 3.740 3.560 3.940 . 0 0 "[ . 1 . 2]" 1
85 1 8 LYS HA 1 23 TRP HH2 1.800 . 5.000 3.224 2.322 4.551 . 0 0 "[ . 1 . 2]" 1
86 1 8 LYS HA 1 23 TRP HZ3 1.800 . 5.000 3.898 2.883 5.060 0.060 6 0 "[ . 1 . 2]" 1
87 1 8 LYS QB 1 9 HIS H 1.800 . 4.210 2.511 2.351 2.606 . 0 0 "[ . 1 . 2]" 1
88 1 8 LYS H 1 8 LYS QB 1.800 . 3.370 2.354 2.262 2.477 . 0 0 "[ . 1 . 2]" 1
89 1 8 LYS H 1 8 LYS QD 1.800 . 5.340 3.889 1.920 4.434 . 0 0 "[ . 1 . 2]" 1
90 1 8 LYS H 1 8 LYS QG 1.800 . 4.430 2.720 2.047 3.980 . 0 0 "[ . 1 . 2]" 1
91 1 9 HIS QB 1 10 TYR H 1.800 . 3.910 2.509 2.378 2.672 . 0 0 "[ . 1 . 2]" 1
92 1 9 HIS H 1 9 HIS QB 1.800 . 3.790 2.304 2.248 2.405 . 0 0 "[ . 1 . 2]" 1
93 1 9 HIS H 1 10 TYR H 1.800 . 4.210 2.650 2.537 2.789 . 0 0 "[ . 1 . 2]" 1
94 1 10 TYR HA 1 10 TYR QD 1.800 . 3.660 2.705 2.481 3.040 . 0 0 "[ . 1 . 2]" 1
95 1 10 TYR HA 1 13 ASN QB 1.800 . 4.100 2.932 2.597 4.098 . 0 0 "[ . 1 . 2]" 1
96 1 10 TYR HA 1 14 LEU H 1.800 . 4.600 4.009 3.585 4.479 . 0 0 "[ . 1 . 2]" 1
97 1 10 TYR QB 1 11 ILE H 1.800 . 3.810 2.389 2.321 2.463 . 0 0 "[ . 1 . 2]" 1
98 1 10 TYR QB 1 92 LEU QD 1.800 . 5.080 3.313 2.423 4.841 . 0 0 "[ . 1 . 2]" 1
99 1 10 TYR QB 1 108 LEU MD2 1.800 . 3.730 3.471 2.718 3.848 0.118 7 0 "[ . 1 . 2]" 1
100 1 10 TYR QD 1 11 ILE HA 1.800 . 6.050 3.163 2.606 3.580 . 0 0 "[ . 1 . 2]" 1
101 1 10 TYR QD 1 11 ILE MD 1.800 . 4.800 3.637 2.263 4.816 0.016 7 0 "[ . 1 . 2]" 1
102 1 10 TYR QD 1 11 ILE H 1.800 . 4.300 3.115 2.847 3.313 . 0 0 "[ . 1 . 2]" 1
103 1 10 TYR QD 1 92 LEU MD1 1.800 . 5.000 3.061 2.129 5.040 0.040 7 0 "[ . 1 . 2]" 1
104 1 10 TYR QD 1 92 LEU MD2 1.800 . 5.000 3.390 2.269 4.613 . 0 0 "[ . 1 . 2]" 1
105 1 10 TYR QD 1 108 LEU MD2 1.800 . 5.000 4.035 3.323 5.003 0.003 4 0 "[ . 1 . 2]" 1
106 1 10 TYR QE 1 11 ILE HA 1.800 . 6.000 4.224 3.839 4.489 . 0 0 "[ . 1 . 2]" 1
107 1 10 TYR QE 1 11 ILE MD 1.800 . 5.800 4.683 2.893 5.788 . 0 0 "[ . 1 . 2]" 1
108 1 10 TYR QE 1 14 LEU MD1 1.800 . 5.000 4.352 3.620 5.048 0.048 19 0 "[ . 1 . 2]" 1
109 1 10 TYR QE 1 14 LEU MD2 1.800 . 5.000 2.915 2.272 3.478 . 0 0 "[ . 1 . 2]" 1
110 1 10 TYR QE 1 92 LEU MD1 1.800 . 5.000 2.947 2.317 4.932 . 0 0 "[ . 1 . 2]" 1
111 1 10 TYR QE 1 107 LEU HA 1.800 . 5.000 4.075 2.404 4.996 . 0 0 "[ . 1 . 2]" 1
112 1 10 TYR H 1 10 TYR HB3 1.800 . 3.900 2.493 2.457 2.592 . 0 0 "[ . 1 . 2]" 1
113 1 10 TYR H 1 10 TYR HB2 1.800 . 3.900 2.607 2.518 2.636 . 0 0 "[ . 1 . 2]" 1
114 1 10 TYR H 1 11 ILE H 1.800 . 4.280 2.783 2.735 2.844 . 0 0 "[ . 1 . 2]" 1
115 1 11 ILE HA 1 11 ILE MD 1.800 . 4.000 3.242 2.103 3.833 . 0 0 "[ . 1 . 2]" 1
116 1 11 ILE HA 1 11 ILE MG 1.800 . 3.550 2.565 2.377 3.201 . 0 0 "[ . 1 . 2]" 1
117 1 11 ILE HA 1 14 LEU QB 1.800 . 3.660 2.669 2.224 3.190 . 0 0 "[ . 1 . 2]" 1
118 1 11 ILE HA 1 14 LEU MD2 1.800 . 4.350 3.766 3.132 4.488 0.138 13 0 "[ . 1 . 2]" 1
119 1 11 ILE HA 1 14 LEU H 1.800 . 4.150 3.585 3.250 3.905 . 0 0 "[ . 1 . 2]" 1
120 1 11 ILE MD 1 66 ILE MG 1.800 . 4.800 3.403 1.987 4.318 . 0 0 "[ . 1 . 2]" 1
121 1 11 ILE MD 1 82 PHE QB 1.800 . 4.810 2.928 2.243 3.517 . 0 0 "[ . 1 . 2]" 1
122 1 11 ILE MD 1 82 PHE QD 1.800 . 3.980 3.189 2.058 4.023 0.043 6 0 "[ . 1 . 2]" 1
123 1 11 ILE QG 1 66 ILE MG 1.800 . 4.840 4.107 2.870 4.952 0.112 12 0 "[ . 1 . 2]" 1
124 1 11 ILE MD 1 11 ILE MG 1.800 . 3.290 1.961 1.813 3.184 . 0 0 "[ . 1 . 2]" 1
125 1 11 ILE QG 1 11 ILE MG 1.800 . 3.260 2.255 2.038 2.461 . 0 0 "[ . 1 . 2]" 1
126 1 11 ILE MG 1 15 PHE QD 1.800 . 5.000 2.853 2.287 4.638 . 0 0 "[ . 1 . 2]" 1
127 1 11 ILE MG 1 17 LEU MD1 1.800 . 4.300 2.872 2.331 4.170 . 0 0 "[ . 1 . 2]" 1
128 1 11 ILE MG 1 23 TRP HH2 1.800 . 5.000 3.313 2.165 5.056 0.056 13 0 "[ . 1 . 2]" 1
129 1 11 ILE MG 1 23 TRP HZ2 1.800 . 5.000 3.883 3.253 4.968 . 0 0 "[ . 1 . 2]" 1
130 1 11 ILE MG 1 61 LEU MD2 1.800 . 4.200 3.345 2.081 4.251 0.051 2 0 "[ . 1 . 2]" 1
131 1 11 ILE MG 1 66 ILE MG 1.800 . 4.410 3.338 2.420 4.511 0.101 7 0 "[ . 1 . 2]" 1
132 1 11 ILE H 1 11 ILE HB 1.800 . 3.780 2.428 2.323 2.500 . 0 0 "[ . 1 . 2]" 1
133 1 11 ILE H 1 11 ILE MD 1.800 . 4.200 3.539 1.859 4.293 0.093 8 0 "[ . 1 . 2]" 1
134 1 11 ILE H 1 11 ILE QG 1.800 . 4.200 2.624 2.195 3.979 . 0 0 "[ . 1 . 2]" 1
135 1 11 ILE H 1 11 ILE MG 1.800 . 4.110 3.441 2.083 3.775 . 0 0 "[ . 1 . 2]" 1
136 1 12 THR HA 1 12 THR MG 1.800 . 3.450 2.349 2.253 2.415 . 0 0 "[ . 1 . 2]" 1
137 1 12 THR HA 1 17 LEU MD1 1.800 . 4.200 2.953 2.332 3.394 . 0 0 "[ . 1 . 2]" 1
138 1 12 THR HA 1 17 LEU HG 1.800 . 4.770 3.626 2.688 4.262 . 0 0 "[ . 1 . 2]" 1
139 1 12 THR HA 1 17 LEU H 1.800 . 3.980 2.563 2.233 3.528 . 0 0 "[ . 1 . 2]" 1
140 1 12 THR HB 1 13 ASN H 1.800 . 3.800 3.438 2.472 3.787 . 0 0 "[ . 1 . 2]" 1
141 1 12 THR HB 1 19 ARG HA 1.800 . 4.800 4.229 3.611 4.806 0.006 15 0 "[ . 1 . 2]" 1
142 1 12 THR MG 1 13 ASN H 1.800 . 4.430 3.894 3.262 4.000 . 0 0 "[ . 1 . 2]" 1
143 1 12 THR MG 1 17 LEU MD1 1.800 . 4.000 3.601 3.026 4.086 0.086 18 0 "[ . 1 . 2]" 1
144 1 12 THR MG 1 17 LEU H 1.800 . 4.200 3.879 3.137 4.124 . 0 0 "[ . 1 . 2]" 1
145 1 12 THR MG 1 19 ARG HA 1.800 . 3.730 2.771 2.118 3.362 . 0 0 "[ . 1 . 2]" 1
146 1 12 THR MG 1 19 ARG QD 1.800 . 4.150 3.630 2.164 4.245 0.095 9 0 "[ . 1 . 2]" 1
147 1 12 THR MG 1 19 ARG QG 1.800 . 4.080 3.084 2.068 4.131 0.051 11 0 "[ . 1 . 2]" 1
148 1 12 THR MG 1 23 TRP HZ2 1.800 . 3.710 2.694 2.110 3.846 0.136 6 0 "[ . 1 . 2]" 1
149 1 13 ASN QB 1 14 LEU H 1.800 . 3.530 2.608 2.287 3.536 0.006 19 0 "[ . 1 . 2]" 1
150 1 13 ASN H 1 13 ASN HB3 1.800 . 3.550 3.087 2.375 3.604 0.054 2 0 "[ . 1 . 2]" 1
151 1 13 ASN H 1 13 ASN HB2 1.800 . 3.550 2.517 2.291 3.594 0.044 19 0 "[ . 1 . 2]" 1
152 1 13 ASN H 1 14 LEU H 1.800 . 3.460 2.642 2.559 2.810 . 0 0 "[ . 1 . 2]" 1
153 1 14 LEU HA 1 14 LEU MD1 1.800 . 3.090 2.145 2.065 2.291 . 0 0 "[ . 1 . 2]" 1
154 1 14 LEU HA 1 14 LEU MD2 1.800 . 4.070 3.158 2.135 3.814 . 0 0 "[ . 1 . 2]" 1
155 1 14 LEU HA 1 14 LEU HG 1.800 . 4.240 3.353 3.117 3.632 . 0 0 "[ . 1 . 2]" 1
156 1 14 LEU QB 1 14 LEU MD1 1.800 . 3.250 2.282 2.181 2.329 . 0 0 "[ . 1 . 2]" 1
157 1 14 LEU QB 1 14 LEU MD2 1.800 . 3.130 2.162 2.090 2.347 . 0 0 "[ . 1 . 2]" 1
158 1 14 LEU HB3 1 15 PHE H 1.800 . 4.110 2.640 2.430 3.359 . 0 0 "[ . 1 . 2]" 1
159 1 14 LEU HB2 1 15 PHE H 1.800 . 4.110 3.614 2.747 3.924 . 0 0 "[ . 1 . 2]" 1
160 1 14 LEU MD1 1 15 PHE H 1.800 . 4.750 4.174 3.511 4.701 . 0 0 "[ . 1 . 2]" 1
161 1 14 LEU H 1 14 LEU QB 1.800 . 3.040 2.225 2.130 2.285 . 0 0 "[ . 1 . 2]" 1
162 1 14 LEU H 1 14 LEU MD1 1.800 . 4.430 4.076 3.897 4.200 . 0 0 "[ . 1 . 2]" 1
163 1 14 LEU H 1 14 LEU MD2 1.800 . 4.430 3.741 1.847 4.329 . 0 0 "[ . 1 . 2]" 1
164 1 14 LEU H 1 14 LEU HG 1.800 . 4.690 4.396 3.783 4.611 . 0 0 "[ . 1 . 2]" 1
165 1 14 LEU H 1 15 PHE H 1.800 . 3.700 2.746 2.664 2.799 . 0 0 "[ . 1 . 2]" 1
166 1 15 PHE HA 1 15 PHE QD 1.800 . 3.840 2.719 2.570 2.885 . 0 0 "[ . 1 . 2]" 1
167 1 15 PHE HA 1 16 ASN H 1.800 . 3.390 3.261 3.164 3.306 . 0 0 "[ . 1 . 2]" 1
168 1 15 PHE QB 1 16 ASN H 1.800 . 4.040 3.409 3.320 3.550 . 0 0 "[ . 1 . 2]" 1
169 1 15 PHE QB 1 17 LEU MD2 1.800 . 4.300 2.775 2.229 3.406 . 0 0 "[ . 1 . 2]" 1
170 1 15 PHE H 1 15 PHE QB 1.800 . 3.390 2.346 2.282 2.454 . 0 0 "[ . 1 . 2]" 1
171 1 15 PHE H 1 15 PHE QD 1.800 . 3.900 2.752 2.584 2.935 . 0 0 "[ . 1 . 2]" 1
172 1 15 PHE H 1 16 ASN H 1.800 . 3.230 2.298 2.195 2.529 . 0 0 "[ . 1 . 2]" 1
173 1 16 ASN H 1 16 ASN HA 1.800 . 2.900 2.338 2.330 2.350 . 0 0 "[ . 1 . 2]" 1
174 1 16 ASN H 1 16 ASN QB 1.800 . 3.600 3.147 2.907 3.400 . 0 0 "[ . 1 . 2]" 1
175 1 16 ASN H 1 17 LEU H 1.800 . 3.570 2.793 2.719 3.008 . 0 0 "[ . 1 . 2]" 1
176 1 17 LEU HA 1 17 LEU MD2 1.800 . 3.540 2.203 2.124 2.249 . 0 0 "[ . 1 . 2]" 1
177 1 17 LEU HA 1 18 PRO QD 1.800 . 3.560 2.075 2.029 2.122 . 0 0 "[ . 1 . 2]" 1
178 1 17 LEU HA 1 60 THR MG 1.800 . 4.500 4.176 3.338 4.551 0.051 16 0 "[ . 1 . 2]" 1
179 1 17 LEU QB 1 17 LEU MD1 1.800 . 3.540 2.102 2.088 2.118 . 0 0 "[ . 1 . 2]" 1
180 1 17 LEU HB3 1 17 LEU MD2 1.800 . 3.610 2.226 2.207 2.300 . 0 0 "[ . 1 . 2]" 1
181 1 17 LEU HB2 1 17 LEU MD2 1.800 . 3.610 3.192 3.167 3.210 . 0 0 "[ . 1 . 2]" 1
182 1 17 LEU MD1 1 23 TRP HZ2 1.800 . 5.000 4.172 3.171 4.845 . 0 0 "[ . 1 . 2]" 1
183 1 17 LEU MD1 1 61 LEU HA 1.800 . 4.650 3.528 2.599 4.088 . 0 0 "[ . 1 . 2]" 1
184 1 17 LEU MD1 1 61 LEU QD 1.800 . 3.500 2.462 2.107 3.130 . 0 0 "[ . 1 . 2]" 1
185 1 17 LEU MD1 1 66 ILE MG 1.800 . 4.590 4.198 3.537 4.671 0.081 17 0 "[ . 1 . 2]" 1
186 1 17 LEU MD2 1 18 PRO QD 1.800 . 3.190 2.729 2.288 3.141 . 0 0 "[ . 1 . 2]" 1
187 1 17 LEU MD2 1 60 THR HA 1.800 . 5.100 4.366 3.535 4.955 . 0 0 "[ . 1 . 2]" 1
188 1 17 LEU MD2 1 60 THR HB 1.800 . 4.400 3.280 2.076 4.426 0.026 4 0 "[ . 1 . 2]" 1
189 1 17 LEU MD2 1 60 THR MG 1.800 . 4.000 2.672 2.000 3.814 . 0 0 "[ . 1 . 2]" 1
190 1 17 LEU MD2 1 61 LEU QD 1.800 . 4.180 3.849 2.927 4.246 0.066 3 0 "[ . 1 . 2]" 1
191 1 17 LEU H 1 17 LEU MD1 1.800 . 4.310 3.427 3.194 3.665 . 0 0 "[ . 1 . 2]" 1
192 1 17 LEU H 1 17 LEU MD2 1.800 . 3.850 3.664 3.255 3.988 0.138 7 0 "[ . 1 . 2]" 1
193 1 17 LEU H 1 17 LEU HG 1.800 . 4.400 2.352 2.200 2.734 . 0 0 "[ . 1 . 2]" 1
194 1 18 PRO HA 1 19 ARG H 1.800 . 3.160 2.196 2.150 2.244 . 0 0 "[ . 1 . 2]" 1
195 1 18 PRO HA 1 20 ASP H 1.800 . 4.260 3.602 3.374 3.730 . 0 0 "[ . 1 . 2]" 1
196 1 18 PRO QB 1 19 ARG H 1.800 . 4.030 3.257 3.075 3.586 . 0 0 "[ . 1 . 2]" 1
197 1 18 PRO HD3 1 60 THR MG 1.800 . 4.000 3.761 3.249 4.085 0.085 6 0 "[ . 1 . 2]" 1
198 1 18 PRO HD2 1 60 THR MG 1.800 . 4.000 2.538 2.233 2.926 . 0 0 "[ . 1 . 2]" 1
199 1 18 PRO QG 1 60 THR MG 1.800 . 4.600 2.974 2.227 4.113 . 0 0 "[ . 1 . 2]" 1
200 1 19 ARG HA 1 19 ARG QD 1.800 . 4.740 3.720 2.270 4.483 . 0 0 "[ . 1 . 2]" 1
201 1 19 ARG HA 1 19 ARG QG 1.800 . 3.760 2.626 2.312 3.325 . 0 0 "[ . 1 . 2]" 1
202 1 19 ARG QB 1 20 ASP H 1.800 . 3.850 3.274 2.923 3.864 0.014 13 0 "[ . 1 . 2]" 1
203 1 19 ARG HB3 1 19 ARG QD 1.800 . 4.210 2.588 2.383 3.514 . 0 0 "[ . 1 . 2]" 1
204 1 19 ARG HB2 1 19 ARG QD 1.800 . 4.210 2.653 2.233 3.506 . 0 0 "[ . 1 . 2]" 1
205 1 19 ARG H 1 19 ARG QB 1.800 . 3.450 2.439 2.310 2.776 . 0 0 "[ . 1 . 2]" 1
206 1 19 ARG H 1 19 ARG QD 1.800 . 5.000 4.014 1.854 4.751 . 0 0 "[ . 1 . 2]" 1
207 1 19 ARG H 1 19 ARG QG 1.800 . 4.030 2.705 1.798 4.095 0.065 2 0 "[ . 1 . 2]" 1
208 1 19 ARG H 1 20 ASP H 1.800 . 3.550 2.303 2.161 2.570 . 0 0 "[ . 1 . 2]" 1
209 1 20 ASP QB 1 21 GLU H 1.800 . 4.480 3.633 3.335 3.917 . 0 0 "[ . 1 . 2]" 1
210 1 20 ASP H 1 20 ASP QB 1.800 . 3.470 2.490 2.302 2.737 . 0 0 "[ . 1 . 2]" 1
211 1 20 ASP H 1 21 GLU H 1.800 . 3.610 2.536 2.460 2.667 . 0 0 "[ . 1 . 2]" 1
212 1 21 GLU HA 1 22 LYS H 1.800 . 3.280 2.175 2.119 2.319 . 0 0 "[ . 1 . 2]" 1
213 1 21 GLU QG 1 22 LYS H 1.800 . 4.800 3.430 2.280 4.678 . 0 0 "[ . 1 . 2]" 1
214 1 21 GLU H 1 21 GLU HB3 1.800 . 3.660 2.933 2.462 3.695 0.035 4 0 "[ . 1 . 2]" 1
215 1 21 GLU H 1 21 GLU HB2 1.800 . 3.660 2.639 2.380 2.881 . 0 0 "[ . 1 . 2]" 1
216 1 21 GLU H 1 21 GLU QG 1.800 . 4.550 3.515 2.191 4.104 . 0 0 "[ . 1 . 2]" 1
217 1 22 LYS HA 1 22 LYS QD 1.800 . 4.560 3.251 2.126 4.151 . 0 0 "[ . 1 . 2]" 1
218 1 22 LYS HA 1 22 LYS QG 1.800 . 3.650 2.548 2.301 2.995 . 0 0 "[ . 1 . 2]" 1
219 1 22 LYS HA 1 23 TRP H 1.800 . 3.180 2.210 2.157 2.272 . 0 0 "[ . 1 . 2]" 1
220 1 22 LYS QB 1 22 LYS QD 1.800 . 3.510 2.206 2.128 2.373 . 0 0 "[ . 1 . 2]" 1
221 1 22 LYS QB 1 23 TRP H 1.800 . 3.910 3.357 2.780 3.728 . 0 0 "[ . 1 . 2]" 1
222 1 22 LYS QD 1 22 LYS QG 1.800 . 2.350 2.094 2.034 2.112 . 0 0 "[ . 1 . 2]" 1
223 1 22 LYS QE 1 22 LYS QG 1.800 . 3.530 2.233 2.117 2.666 . 0 0 "[ . 1 . 2]" 1
224 1 22 LYS QG 1 23 TRP H 1.800 . 4.700 3.337 2.276 4.716 0.016 10 0 "[ . 1 . 2]" 1
225 1 22 LYS H 1 22 LYS QB 1.800 . 3.170 2.343 2.268 2.479 . 0 0 "[ . 1 . 2]" 1
226 1 23 TRP HA 1 23 TRP HD1 1.800 . 4.720 2.438 2.287 3.197 . 0 0 "[ . 1 . 2]" 1
227 1 23 TRP HA 1 24 GLU H 1.800 . 3.410 2.411 2.172 2.597 . 0 0 "[ . 1 . 2]" 1
228 1 23 TRP HA 1 58 SER HA 1.800 . 4.760 3.650 3.132 3.928 . 0 0 "[ . 1 . 2]" 1
229 1 23 TRP HA 1 58 SER QB 1.800 . 4.460 2.777 2.173 3.842 . 0 0 "[ . 1 . 2]" 1
230 1 23 TRP QB 1 24 GLU H 1.800 . 4.280 2.531 2.116 3.356 . 0 0 "[ . 1 . 2]" 1
231 1 23 TRP QB 1 56 TYR QD 1.800 . 4.280 2.892 2.314 3.521 . 0 0 "[ . 1 . 2]" 1
232 1 23 TRP HD1 1 58 SER QB 1.800 . 4.800 2.720 2.197 4.316 . 0 0 "[ . 1 . 2]" 1
233 1 23 TRP H 1 23 TRP QB 1.800 . 3.640 2.468 2.263 2.633 . 0 0 "[ . 1 . 2]" 1
234 1 23 TRP H 1 24 GLU H 1.800 . 4.830 4.539 4.475 4.594 . 0 0 "[ . 1 . 2]" 1
235 1 23 TRP HZ2 1 61 LEU MD1 1.800 . 5.000 3.507 2.325 4.810 . 0 0 "[ . 1 . 2]" 1
236 1 23 TRP HZ2 1 61 LEU MD2 1.800 . 5.000 3.575 2.322 4.999 . 0 0 "[ . 1 . 2]" 1
237 1 24 GLU HA 1 24 GLU QG 1.800 . 3.690 2.483 2.237 2.831 . 0 0 "[ . 1 . 2]" 1
238 1 24 GLU HA 1 25 CYS H 1.800 . 3.270 2.147 2.109 2.178 . 0 0 "[ . 1 . 2]" 1
239 1 24 GLU QB 1 25 CYS H 1.800 . 3.750 3.564 3.299 3.862 0.112 14 0 "[ . 1 . 2]" 1
240 1 24 GLU QG 1 25 CYS H 1.800 . 4.700 3.710 2.709 4.687 . 0 0 "[ . 1 . 2]" 1
241 1 24 GLU QG 1 57 TYR H 1.800 . 4.910 4.649 4.136 5.127 0.217 8 0 "[ . 1 . 2]" 1
242 1 24 GLU H 1 24 GLU QB 1.800 . 3.630 2.421 2.392 2.453 . 0 0 "[ . 1 . 2]" 1
243 1 24 GLU H 1 25 CYS H 1.800 . 5.200 4.345 4.285 4.437 . 0 0 "[ . 1 . 2]" 1
244 1 24 GLU H 1 57 TYR H 1.800 . 4.700 2.887 2.597 3.416 . 0 0 "[ . 1 . 2]" 1
245 1 25 CYS HA 1 26 GLU H 1.800 . 3.390 2.200 2.142 2.259 . 0 0 "[ . 1 . 2]" 1
246 1 25 CYS HA 1 56 TYR HA 1.800 . 3.690 2.681 2.268 3.232 . 0 0 "[ . 1 . 2]" 1
247 1 25 CYS QB 1 26 GLU H 1.800 . 4.440 3.165 2.812 3.842 . 0 0 "[ . 1 . 2]" 1
248 1 25 CYS HB3 1 56 TYR QE 1.800 . 4.560 2.895 2.326 4.373 . 0 0 "[ . 1 . 2]" 1
249 1 25 CYS HB2 1 56 TYR QE 1.800 . 4.560 3.434 2.323 4.577 0.017 12 0 "[ . 1 . 2]" 1
250 1 25 CYS H 1 25 CYS QB 1.800 . 3.680 2.559 2.274 2.808 . 0 0 "[ . 1 . 2]" 1
251 1 26 GLU HA 1 26 GLU QG 1.800 . 3.800 2.476 2.281 3.314 . 0 0 "[ . 1 . 2]" 1
252 1 26 GLU HA 1 27 SER H 1.800 . 3.240 2.182 2.125 2.234 . 0 0 "[ . 1 . 2]" 1
253 1 26 GLU QB 1 55 THR HB 1.800 . 4.070 3.031 2.546 4.138 0.068 14 0 "[ . 1 . 2]" 1
254 1 26 GLU QB 1 55 THR MG 1.800 . 5.340 3.991 3.532 4.684 . 0 0 "[ . 1 . 2]" 1
255 1 26 GLU QB 1 57 TYR QD 1.800 . 3.710 3.121 2.386 3.823 0.113 14 0 "[ . 1 . 2]" 1
256 1 26 GLU QB 1 57 TYR QE 1.800 . 3.880 2.525 2.264 3.130 . 0 0 "[ . 1 . 2]" 1
257 1 26 GLU QG 1 28 ILE MG 1.800 . 5.000 3.442 2.154 5.176 0.176 10 0 "[ . 1 . 2]" 1
258 1 26 GLU H 1 26 GLU QB 1.800 . 3.380 2.598 2.447 2.910 . 0 0 "[ . 1 . 2]" 1
259 1 26 GLU H 1 26 GLU QG 1.800 . 4.540 3.872 1.796 4.221 0.004 14 0 "[ . 1 . 2]" 1
260 1 26 GLU H 1 55 THR HB 1.800 . 4.810 4.398 3.593 4.854 0.044 11 0 "[ . 1 . 2]" 1
261 1 26 GLU H 1 55 THR H 1.800 . 4.130 3.473 2.907 3.941 . 0 0 "[ . 1 . 2]" 1
262 1 26 GLU H 1 56 TYR HA 1.800 . 4.560 3.520 3.067 3.878 . 0 0 "[ . 1 . 2]" 1
263 1 27 SER HA 1 28 ILE H 1.800 . 3.290 2.162 2.104 2.207 . 0 0 "[ . 1 . 2]" 1
264 1 27 SER HA 1 54 ASN HA 1.800 . 3.570 2.559 2.263 3.177 . 0 0 "[ . 1 . 2]" 1
265 1 27 SER HA 1 55 THR H 1.800 . 5.000 3.978 3.622 4.527 . 0 0 "[ . 1 . 2]" 1
266 1 27 SER QB 1 28 ILE H 1.800 . 4.300 3.599 3.083 3.970 . 0 0 "[ . 1 . 2]" 1
267 1 27 SER QB 1 54 ASN HA 1.800 . 5.210 4.247 3.658 4.835 . 0 0 "[ . 1 . 2]" 1
268 1 27 SER H 1 27 SER HB3 1.800 . 4.050 2.860 2.369 3.692 . 0 0 "[ . 1 . 2]" 1
269 1 27 SER H 1 27 SER HB2 1.800 . 4.050 2.845 2.261 3.673 . 0 0 "[ . 1 . 2]" 1
270 1 27 SER H 1 28 ILE H 1.800 . 4.500 4.426 4.175 4.580 0.080 17 0 "[ . 1 . 2]" 1
271 1 28 ILE HA 1 28 ILE MG 1.800 . 3.420 2.760 2.252 3.212 . 0 0 "[ . 1 . 2]" 1
272 1 28 ILE HA 1 29 GLU H 1.800 . 3.210 2.246 2.159 2.389 . 0 0 "[ . 1 . 2]" 1
273 1 28 ILE HB 1 28 ILE MD 1.800 . 3.520 2.426 2.245 3.231 . 0 0 "[ . 1 . 2]" 1
274 1 28 ILE HB 1 29 GLU H 1.800 . 4.700 3.708 2.589 4.247 . 0 0 "[ . 1 . 2]" 1
275 1 28 ILE HG13 1 29 GLU H 1.800 . 5.230 3.622 2.307 5.308 0.078 12 0 "[ . 1 . 2]" 1
276 1 28 ILE HG12 1 29 GLU H 1.800 . 5.230 3.812 2.082 5.098 . 0 0 "[ . 1 . 2]" 1
277 1 28 ILE MD 1 28 ILE MG 1.800 . 3.420 2.098 1.786 3.252 0.014 6 0 "[ . 1 . 2]" 1
278 1 28 ILE HG13 1 28 ILE MG 1.800 . 3.780 2.998 2.295 3.198 . 0 0 "[ . 1 . 2]" 1
279 1 28 ILE HG12 1 28 ILE MG 1.800 . 3.780 2.411 2.200 3.199 . 0 0 "[ . 1 . 2]" 1
280 1 28 ILE MG 1 29 GLU H 1.800 . 4.520 3.543 2.533 3.955 . 0 0 "[ . 1 . 2]" 1
281 1 28 ILE H 1 28 ILE HG12 1.800 . 4.750 3.849 2.282 5.156 0.406 19 0 "[ . 1 . 2]" 1
282 1 28 ILE H 1 53 THR H 1.800 . 4.600 3.631 3.065 4.302 . 0 0 "[ . 1 . 2]" 1
283 1 29 GLU HA 1 29 GLU HG3 1.800 . 3.920 2.703 2.315 3.748 . 0 0 "[ . 1 . 2]" 1
284 1 29 GLU HA 1 29 GLU HG2 1.800 . 3.920 2.824 2.416 3.560 . 0 0 "[ . 1 . 2]" 1
285 1 29 GLU HA 1 30 GLU H 1.800 . 3.340 2.177 2.126 2.227 . 0 0 "[ . 1 . 2]" 1
286 1 29 GLU HA 1 50 ILE MG 1.800 . 5.000 3.606 3.111 4.252 . 0 0 "[ . 1 . 2]" 1
287 1 29 GLU HA 1 52 GLN HA 1.800 . 3.670 2.549 2.294 2.924 . 0 0 "[ . 1 . 2]" 1
288 1 29 GLU HA 1 53 THR H 1.800 . 4.310 2.820 1.978 3.285 . 0 0 "[ . 1 . 2]" 1
289 1 29 GLU QB 1 50 ILE MG 1.800 . 3.610 2.622 2.019 3.640 0.030 17 0 "[ . 1 . 2]" 1
290 1 29 GLU HB3 1 30 GLU H 1.800 . 4.470 3.635 3.258 4.280 . 0 0 "[ . 1 . 2]" 1
291 1 29 GLU HB2 1 30 GLU H 1.800 . 4.470 4.302 4.188 4.398 . 0 0 "[ . 1 . 2]" 1
292 1 29 GLU QG 1 50 ILE MG 1.800 . 4.910 2.847 1.877 3.643 . 0 0 "[ . 1 . 2]" 1
293 1 29 GLU HG3 1 52 GLN HA 1.800 . 4.850 3.572 2.391 4.943 0.093 4 0 "[ . 1 . 2]" 1
294 1 29 GLU HG2 1 52 GLN HA 1.800 . 4.850 3.757 2.405 4.854 0.004 14 0 "[ . 1 . 2]" 1
295 1 29 GLU H 1 29 GLU HB3 1.800 . 4.100 3.312 2.518 3.711 . 0 0 "[ . 1 . 2]" 1
296 1 29 GLU H 1 29 GLU HB2 1.800 . 4.100 2.524 2.361 2.877 . 0 0 "[ . 1 . 2]" 1
297 1 29 GLU H 1 29 GLU HG3 1.800 . 4.550 3.351 2.415 4.604 0.054 11 0 "[ . 1 . 2]" 1
298 1 29 GLU H 1 29 GLU HG2 1.800 . 4.550 3.945 2.400 4.491 . 0 0 "[ . 1 . 2]" 1
299 1 30 GLU HA 1 30 GLU HG3 1.800 . 4.160 2.987 2.332 3.732 . 0 0 "[ . 1 . 2]" 1
300 1 30 GLU HA 1 30 GLU HG2 1.800 . 4.160 2.817 2.402 3.711 . 0 0 "[ . 1 . 2]" 1
301 1 30 GLU HA 1 31 VAL H 1.800 . 3.320 2.328 2.226 2.456 . 0 0 "[ . 1 . 2]" 1
302 1 30 GLU QB 1 35 ILE MG 1.800 . 4.310 3.326 2.511 4.352 0.042 20 0 "[ . 1 . 2]" 1
303 1 30 GLU HB3 1 31 VAL H 1.800 . 4.290 3.004 2.444 3.908 . 0 0 "[ . 1 . 2]" 1
304 1 30 GLU HB2 1 31 VAL H 1.800 . 4.290 3.788 2.343 4.121 . 0 0 "[ . 1 . 2]" 1
305 1 30 GLU QG 1 31 VAL H 1.800 . 5.140 3.356 1.934 4.360 . 0 0 "[ . 1 . 2]" 1
306 1 30 GLU QG 1 35 ILE MG 1.800 . 5.010 4.056 2.928 5.067 0.057 15 0 "[ . 1 . 2]" 1
307 1 30 GLU QG 1 53 THR MG 1.800 . 5.000 3.811 2.042 5.079 0.079 5 0 "[ . 1 . 2]" 1
308 1 30 GLU H 1 30 GLU QG 1.800 . 4.370 3.428 2.364 4.231 . 0 0 "[ . 1 . 2]" 1
309 1 30 GLU H 1 50 ILE MG 1.800 . 5.000 3.144 2.526 3.705 . 0 0 "[ . 1 . 2]" 1
310 1 30 GLU H 1 51 LEU H 1.800 . 3.980 3.654 3.378 3.941 . 0 0 "[ . 1 . 2]" 1
311 1 30 GLU H 1 53 THR MG 1.800 . 5.200 3.966 2.245 5.224 0.024 17 0 "[ . 1 . 2]" 1
312 1 31 VAL HA 1 31 VAL MG1 1.800 . 3.370 2.345 2.283 2.383 . 0 0 "[ . 1 . 2]" 1
313 1 31 VAL HA 1 31 VAL MG2 1.800 . 3.420 2.362 2.288 2.464 . 0 0 "[ . 1 . 2]" 1
314 1 31 VAL HA 1 32 ALA H 1.800 . 3.250 2.200 2.154 2.231 . 0 0 "[ . 1 . 2]" 1
315 1 31 VAL HA 1 50 ILE HA 1.800 . 3.060 2.370 2.242 2.674 . 0 0 "[ . 1 . 2]" 1
316 1 31 VAL HA 1 50 ILE MD 1.800 . 4.780 4.029 2.545 4.804 0.024 20 0 "[ . 1 . 2]" 1
317 1 31 VAL HA 1 50 ILE QG 1.800 . 4.790 3.362 2.633 4.803 0.013 4 0 "[ . 1 . 2]" 1
318 1 31 VAL HA 1 51 LEU QD 1.800 . 5.280 4.510 3.576 5.034 . 0 0 "[ . 1 . 2]" 1
319 1 31 VAL HA 1 51 LEU H 1.800 . 3.780 3.293 2.995 3.669 . 0 0 "[ . 1 . 2]" 1
320 1 31 VAL HB 1 34 ASP H 1.800 . 4.090 2.992 2.500 3.501 . 0 0 "[ . 1 . 2]" 1
321 1 31 VAL QG 1 33 ASP QB 1.800 . 4.550 2.453 2.175 3.312 . 0 0 "[ . 1 . 2]" 1
322 1 31 VAL QG 1 33 ASP H 1.800 . 3.550 1.852 1.762 2.054 0.038 14 0 "[ . 1 . 2]" 1
323 1 31 VAL QG 1 34 ASP H 1.800 . 3.550 2.751 2.067 3.472 . 0 0 "[ . 1 . 2]" 1
324 1 31 VAL MG1 1 32 ALA H 1.800 . 3.250 2.415 2.211 2.548 . 0 0 "[ . 1 . 2]" 1
325 1 31 VAL MG1 1 34 ASP QB 1.800 . 5.270 3.653 3.164 4.650 . 0 0 "[ . 1 . 2]" 1
326 1 31 VAL MG1 1 48 ASN HA 1.800 . 4.610 2.538 2.105 3.343 . 0 0 "[ . 1 . 2]" 1
327 1 31 VAL MG1 1 48 ASN QB 1.800 . 5.500 3.882 2.704 4.792 . 0 0 "[ . 1 . 2]" 1
328 1 31 VAL MG1 1 49 LYS H 1.800 . 3.950 3.634 2.752 3.966 0.016 15 0 "[ . 1 . 2]" 1
329 1 31 VAL MG1 1 50 ILE HA 1.800 . 4.860 3.778 3.327 4.033 . 0 0 "[ . 1 . 2]" 1
330 1 31 VAL MG2 1 34 ASP QB 1.800 . 5.270 3.784 3.439 4.272 . 0 0 "[ . 1 . 2]" 1
331 1 31 VAL MG2 1 48 ASN HA 1.800 . 4.610 4.247 3.711 4.682 0.072 9 0 "[ . 1 . 2]" 1
332 1 31 VAL MG2 1 48 ASN QB 1.800 . 5.500 4.923 4.003 5.557 0.057 14 0 "[ . 1 . 2]" 1
333 1 31 VAL MG2 1 50 ILE HA 1.800 . 3.660 3.455 3.154 3.671 0.011 16 0 "[ . 1 . 2]" 1
334 1 31 VAL MG2 1 50 ILE HG13 1.800 . 4.620 3.046 2.289 4.420 . 0 0 "[ . 1 . 2]" 1
335 1 31 VAL MG2 1 50 ILE HG12 1.800 . 4.620 3.295 2.258 4.509 . 0 0 "[ . 1 . 2]" 1
336 1 31 VAL H 1 31 VAL HB 1.800 . 3.460 2.515 2.410 2.668 . 0 0 "[ . 1 . 2]" 1
337 1 31 VAL H 1 31 VAL MG2 1.800 . 3.480 2.099 1.855 2.400 . 0 0 "[ . 1 . 2]" 1
338 1 31 VAL H 1 50 ILE HA 1.800 . 4.700 4.620 4.276 4.785 0.085 3 0 "[ . 1 . 2]" 1
339 1 32 ALA HA 1 35 ILE MG 1.800 . 5.000 4.157 2.185 5.048 0.048 5 0 "[ . 1 . 2]" 1
340 1 32 ALA HA 1 36 LEU QB 1.800 . 5.500 3.689 2.651 4.424 . 0 0 "[ . 1 . 2]" 1
341 1 32 ALA HA 1 51 LEU QB 1.800 . 4.600 3.882 3.193 4.782 0.182 18 0 "[ . 1 . 2]" 1
342 1 32 ALA HA 1 51 LEU QD 1.800 . 4.300 3.354 2.198 4.251 . 0 0 "[ . 1 . 2]" 1
343 1 32 ALA HA 1 71 LEU MD1 1.800 . 4.820 3.945 3.490 4.535 . 0 0 "[ . 1 . 2]" 1
344 1 32 ALA MB 1 33 ASP H 1.800 . 3.560 2.529 2.341 2.850 . 0 0 "[ . 1 . 2]" 1
345 1 32 ALA MB 1 36 LEU QB 1.800 . 4.350 2.956 2.430 3.461 . 0 0 "[ . 1 . 2]" 1
346 1 32 ALA MB 1 36 LEU MD1 1.800 . 5.000 2.695 1.996 4.820 . 0 0 "[ . 1 . 2]" 1
347 1 32 ALA MB 1 36 LEU MD2 1.800 . 6.000 4.380 2.985 5.005 . 0 0 "[ . 1 . 2]" 1
348 1 32 ALA MB 1 41 VAL MG1 1.800 . 3.980 3.110 2.098 3.687 . 0 0 "[ . 1 . 2]" 1
349 1 32 ALA MB 1 41 VAL MG2 1.800 . 3.160 2.942 2.224 3.276 0.116 18 0 "[ . 1 . 2]" 1
350 1 32 ALA MB 1 46 LEU HA 1.800 . 4.970 3.885 3.195 4.611 . 0 0 "[ . 1 . 2]" 1
351 1 32 ALA MB 1 47 SER HA 1.800 . 5.800 4.238 3.116 5.016 . 0 0 "[ . 1 . 2]" 1
352 1 32 ALA MB 1 49 LYS H 1.800 . 4.540 3.431 2.804 4.065 . 0 0 "[ . 1 . 2]" 1
353 1 32 ALA MB 1 51 LEU HA 1.800 . 6.000 5.353 4.662 5.826 . 0 0 "[ . 1 . 2]" 1
354 1 32 ALA MB 1 51 LEU QD 1.800 . 3.800 2.165 1.892 2.600 . 0 0 "[ . 1 . 2]" 1
355 1 32 ALA H 1 32 ALA MB 1.800 . 3.240 2.213 2.178 2.254 . 0 0 "[ . 1 . 2]" 1
356 1 32 ALA H 1 33 ASP H 1.800 . 4.240 2.776 2.690 2.906 . 0 0 "[ . 1 . 2]" 1
357 1 32 ALA H 1 34 ASP H 1.800 . 4.770 4.102 3.947 4.789 0.019 13 0 "[ . 1 . 2]" 1
358 1 32 ALA H 1 49 LYS H 1.800 . 4.380 4.090 3.342 4.465 0.085 2 0 "[ . 1 . 2]" 1
359 1 32 ALA H 1 50 ILE HA 1.800 . 4.120 3.380 2.982 3.881 . 0 0 "[ . 1 . 2]" 1
360 1 32 ALA H 1 51 LEU QB 1.800 . 5.500 4.226 3.594 4.755 . 0 0 "[ . 1 . 2]" 1
361 1 32 ALA H 1 51 LEU MD2 1.800 . 5.310 4.549 2.845 5.151 . 0 0 "[ . 1 . 2]" 1
362 1 33 ASP HA 1 41 VAL HB 1.800 . 4.410 3.910 2.451 4.496 0.086 6 0 "[ . 1 . 2]" 1
363 1 33 ASP HA 1 41 VAL MG1 1.800 . 3.470 3.044 2.280 3.583 0.113 5 0 "[ . 1 . 2]" 1
364 1 33 ASP HA 1 41 VAL MG2 1.800 . 3.320 2.684 2.070 3.462 0.142 15 0 "[ . 1 . 2]" 1
365 1 33 ASP QB 1 34 ASP H 1.800 . 3.970 3.123 2.323 3.840 . 0 0 "[ . 1 . 2]" 1
366 1 33 ASP QB 1 41 VAL MG1 1.800 . 5.000 3.026 2.165 4.332 . 0 0 "[ . 1 . 2]" 1
367 1 33 ASP QB 1 41 VAL MG2 1.800 . 5.000 3.955 3.119 4.973 . 0 0 "[ . 1 . 2]" 1
368 1 33 ASP H 1 33 ASP QB 1.800 . 3.570 2.301 2.219 2.558 . 0 0 "[ . 1 . 2]" 1
369 1 33 ASP H 1 34 ASP H 1.800 . 3.900 2.679 2.553 2.827 . 0 0 "[ . 1 . 2]" 1
370 1 33 ASP H 1 41 VAL MG1 1.800 . 4.660 3.694 2.487 4.224 . 0 0 "[ . 1 . 2]" 1
371 1 33 ASP H 1 41 VAL MG2 1.800 . 4.850 4.166 3.772 4.660 . 0 0 "[ . 1 . 2]" 1
372 1 34 ASP QB 1 35 ILE MG 1.800 . 5.000 3.214 2.483 5.021 0.021 13 0 "[ . 1 . 2]" 1
373 1 34 ASP QB 1 35 ILE H 1.800 . 4.160 2.925 1.793 3.490 0.007 5 0 "[ . 1 . 2]" 1
374 1 34 ASP H 1 34 ASP QB 1.800 . 3.240 2.334 2.216 2.395 . 0 0 "[ . 1 . 2]" 1
375 1 34 ASP H 1 35 ILE H 1.800 . 3.260 2.459 2.166 3.026 . 0 0 "[ . 1 . 2]" 1
376 1 35 ILE HA 1 35 ILE MD 1.800 . 4.270 4.006 3.415 4.154 . 0 0 "[ . 1 . 2]" 1
377 1 35 ILE HA 1 35 ILE MG 1.800 . 3.540 2.426 2.226 3.206 . 0 0 "[ . 1 . 2]" 1
378 1 35 ILE HB 1 35 ILE MD 1.800 . 3.300 2.341 2.244 3.225 . 0 0 "[ . 1 . 2]" 1
379 1 35 ILE MD 1 51 LEU QD 1.800 . 5.000 3.981 2.908 5.029 0.029 15 0 "[ . 1 . 2]" 1
380 1 35 ILE MD 1 53 THR MG 1.800 . 4.600 2.455 1.981 3.126 . 0 0 "[ . 1 . 2]" 1
381 1 35 ILE MD 1 71 LEU MD1 1.800 . 4.370 2.646 1.993 3.776 . 0 0 "[ . 1 . 2]" 1
382 1 35 ILE MD 1 71 LEU MD2 1.800 . 4.600 2.100 1.981 2.538 . 0 0 "[ . 1 . 2]" 1
383 1 35 ILE MD 1 71 LEU HG 1.800 . 4.750 4.064 3.321 4.677 . 0 0 "[ . 1 . 2]" 1
384 1 35 ILE MD 1 89 MET ME 1.800 . 5.800 4.989 3.323 5.770 . 0 0 "[ . 1 . 2]" 1
385 1 35 ILE QG 1 36 LEU H 1.800 . 4.280 2.703 1.753 4.045 0.047 10 0 "[ . 1 . 2]" 1
386 1 35 ILE MD 1 35 ILE MG 1.800 . 3.570 1.964 1.813 2.100 . 0 0 "[ . 1 . 2]" 1
387 1 35 ILE HG13 1 35 ILE MG 1.800 . 3.800 3.144 2.321 3.196 . 0 0 "[ . 1 . 2]" 1
388 1 35 ILE HG12 1 35 ILE MG 1.800 . 3.800 2.319 2.205 3.201 . 0 0 "[ . 1 . 2]" 1
389 1 35 ILE MG 1 36 LEU H 1.800 . 4.410 3.647 1.801 4.267 . 0 0 "[ . 1 . 2]" 1
390 1 35 ILE MG 1 53 THR MG 1.800 . 5.000 3.046 2.297 4.358 . 0 0 "[ . 1 . 2]" 1
391 1 35 ILE H 1 35 ILE HB 1.800 . 3.930 3.527 2.440 3.902 . 0 0 "[ . 1 . 2]" 1
392 1 35 ILE H 1 35 ILE QG 1.800 . 4.210 2.417 1.829 4.067 . 0 0 "[ . 1 . 2]" 1
393 1 35 ILE H 1 35 ILE MG 1.800 . 3.600 2.880 1.890 3.766 0.166 1 0 "[ . 1 . 2]" 1
394 1 35 ILE H 1 36 LEU H 1.800 . 3.310 2.115 1.742 3.064 0.058 14 0 "[ . 1 . 2]" 1
395 1 36 LEU HA 1 36 LEU MD1 1.800 . 4.100 3.478 2.160 3.828 . 0 0 "[ . 1 . 2]" 1
396 1 36 LEU HA 1 36 LEU MD2 1.800 . 3.300 2.270 2.086 3.673 0.373 7 0 "[ . 1 . 2]" 1
397 1 36 LEU HA 1 37 PRO QD 1.800 . 3.310 2.054 1.969 2.123 . 0 0 "[ . 1 . 2]" 1
398 1 36 LEU HA 1 89 MET ME 1.800 . 4.710 3.748 2.565 4.700 . 0 0 "[ . 1 . 2]" 1
399 1 36 LEU QB 1 36 LEU MD2 1.800 . 3.420 2.201 2.074 2.285 . 0 0 "[ . 1 . 2]" 1
400 1 36 LEU HB3 1 36 LEU MD1 1.800 . 3.700 2.530 2.291 3.184 . 0 0 "[ . 1 . 2]" 1
401 1 36 LEU HB3 1 41 VAL MG2 1.800 . 3.940 2.391 2.016 3.711 . 0 0 "[ . 1 . 2]" 1
402 1 36 LEU HB2 1 36 LEU MD1 1.800 . 3.700 2.426 2.228 3.217 . 0 0 "[ . 1 . 2]" 1
403 1 36 LEU HB2 1 41 VAL MG2 1.800 . 3.940 2.504 2.050 3.765 . 0 0 "[ . 1 . 2]" 1
404 1 36 LEU MD1 1 79 ALA MB 1.800 . 4.590 3.461 2.974 4.510 . 0 0 "[ . 1 . 2]" 1
405 1 36 LEU MD1 1 94 LEU MD1 1.800 . 4.800 3.903 3.082 4.645 . 0 0 "[ . 1 . 2]" 1
406 1 36 LEU MD2 1 37 PRO QD 1.800 . 3.190 2.901 2.053 3.343 0.153 2 0 "[ . 1 . 2]" 1
407 1 36 LEU MD2 1 40 TYR QD 1.800 . 5.000 3.990 2.283 5.084 0.084 15 0 "[ . 1 . 2]" 1
408 1 36 LEU MD2 1 79 ALA MB 1.800 . 4.520 3.248 2.615 3.869 . 0 0 "[ . 1 . 2]" 1
409 1 36 LEU MD2 1 91 PHE QD 1.800 . 4.610 3.838 3.379 4.407 . 0 0 "[ . 1 . 2]" 1
410 1 36 LEU MD2 1 91 PHE QE 1.800 . 4.130 2.277 2.035 2.901 . 0 0 "[ . 1 . 2]" 1
411 1 36 LEU HG 1 79 ALA MB 1.800 . 5.500 4.943 4.170 5.499 . 0 0 "[ . 1 . 2]" 1
412 1 36 LEU H 1 36 LEU HB3 1.800 . 3.820 3.571 3.028 3.787 . 0 0 "[ . 1 . 2]" 1
413 1 36 LEU H 1 36 LEU HB2 1.800 . 3.820 2.477 2.221 2.696 . 0 0 "[ . 1 . 2]" 1
414 1 36 LEU H 1 36 LEU MD1 1.800 . 4.160 3.638 2.763 4.326 0.166 2 0 "[ . 1 . 2]" 1
415 1 36 LEU H 1 36 LEU MD2 1.800 . 4.610 3.877 2.718 4.352 . 0 0 "[ . 1 . 2]" 1
416 1 36 LEU H 1 36 LEU HG 1.800 . 4.680 3.187 1.790 4.893 0.213 15 0 "[ . 1 . 2]" 1
417 1 36 LEU H 1 41 VAL MG2 1.800 . 4.750 3.981 3.409 4.699 . 0 0 "[ . 1 . 2]" 1
418 1 37 PRO HA 1 38 ASP H 1.800 . 3.110 2.281 2.198 2.404 . 0 0 "[ . 1 . 2]" 1
419 1 37 PRO QB 1 39 GLN H 1.800 . 5.000 2.483 2.203 3.019 . 0 0 "[ . 1 . 2]" 1
420 1 37 PRO HB3 1 38 ASP H 1.800 . 4.630 3.249 2.845 3.795 . 0 0 "[ . 1 . 2]" 1
421 1 37 PRO HB2 1 38 ASP H 1.800 . 4.630 3.525 2.924 3.819 . 0 0 "[ . 1 . 2]" 1
422 1 37 PRO QD 1 40 TYR QB 1.800 . 4.610 3.559 2.319 4.710 0.100 15 0 "[ . 1 . 2]" 1
423 1 37 PRO QD 1 40 TYR QD 1.800 . 5.000 3.734 2.620 5.070 0.070 20 0 "[ . 1 . 2]" 1
424 1 37 PRO QD 1 89 MET ME 1.800 . 5.310 2.995 2.292 4.149 . 0 0 "[ . 1 . 2]" 1
425 1 37 PRO QD 1 91 PHE HZ 1.800 . 5.000 2.748 2.202 3.966 . 0 0 "[ . 1 . 2]" 1
426 1 38 ASP HA 1 41 VAL HB 1.800 . 4.360 2.402 2.282 3.009 . 0 0 "[ . 1 . 2]" 1
427 1 38 ASP HA 1 41 VAL MG1 1.800 . 5.000 3.795 3.421 4.271 . 0 0 "[ . 1 . 2]" 1
428 1 38 ASP HA 1 41 VAL MG2 1.800 . 5.000 3.326 2.315 4.236 . 0 0 "[ . 1 . 2]" 1
429 1 38 ASP HA 1 41 VAL H 1.800 . 3.940 3.174 2.567 3.913 . 0 0 "[ . 1 . 2]" 1
430 1 38 ASP QB 1 39 GLN H 1.800 . 3.780 3.184 2.370 3.785 0.005 2 0 "[ . 1 . 2]" 1
431 1 38 ASP H 1 38 ASP QB 1.800 . 3.170 2.393 2.198 2.568 . 0 0 "[ . 1 . 2]" 1
432 1 38 ASP H 1 39 GLN H 1.800 . 4.070 2.733 2.572 2.852 . 0 0 "[ . 1 . 2]" 1
433 1 39 GLN HA 1 42 ARG QG 1.800 . 5.700 4.637 2.497 5.773 0.073 20 0 "[ . 1 . 2]" 1
434 1 39 GLN QB 1 39 GLN QE 1.800 . 4.230 3.461 2.349 3.720 . 0 0 "[ . 1 . 2]" 1
435 1 39 GLN QB 1 40 TYR H 1.800 . 3.660 2.685 2.437 3.587 . 0 0 "[ . 1 . 2]" 1
436 1 39 GLN H 1 39 GLN HB3 1.800 . 3.640 2.945 2.521 3.617 . 0 0 "[ . 1 . 2]" 1
437 1 39 GLN H 1 39 GLN HB2 1.800 . 3.640 2.547 2.381 3.606 . 0 0 "[ . 1 . 2]" 1
438 1 39 GLN H 1 39 GLN QG 1.800 . 4.580 3.250 1.765 4.095 0.035 3 0 "[ . 1 . 2]" 1
439 1 39 GLN H 1 40 TYR H 1.800 . 3.730 2.683 2.411 2.910 . 0 0 "[ . 1 . 2]" 1
440 1 40 TYR HA 1 40 TYR QD 1.800 . 4.000 2.710 2.302 3.043 . 0 0 "[ . 1 . 2]" 1
441 1 40 TYR HA 1 101 LEU MD1 1.800 . 5.000 4.071 2.818 4.921 . 0 0 "[ . 1 . 2]" 1
442 1 40 TYR QB 1 101 LEU MD1 1.800 . 5.000 4.160 2.902 5.016 0.016 10 0 "[ . 1 . 2]" 1
443 1 40 TYR QD 1 94 LEU MD2 1.800 . 4.800 2.633 2.049 3.717 . 0 0 "[ . 1 . 2]" 1
444 1 40 TYR QD 1 101 LEU MD1 1.800 . 4.350 3.050 2.228 3.795 . 0 0 "[ . 1 . 2]" 1
445 1 40 TYR QE 1 94 LEU MD2 1.800 . 4.800 3.209 2.299 4.440 . 0 0 "[ . 1 . 2]" 1
446 1 40 TYR QE 1 101 LEU MD1 1.800 . 4.600 3.731 2.164 4.673 0.073 5 0 "[ . 1 . 2]" 1
447 1 40 TYR H 1 40 TYR QB 1.800 . 3.370 2.407 2.198 2.708 . 0 0 "[ . 1 . 2]" 1
448 1 40 TYR H 1 40 TYR QD 1.800 . 4.670 3.141 2.356 4.286 . 0 0 "[ . 1 . 2]" 1
449 1 40 TYR H 1 41 VAL H 1.800 . 3.200 2.394 1.778 3.224 0.024 14 0 "[ . 1 . 2]" 1
450 1 41 VAL HA 1 41 VAL MG1 1.800 . 3.190 2.312 2.209 2.410 . 0 0 "[ . 1 . 2]" 1
451 1 41 VAL HA 1 41 VAL MG2 1.800 . 3.480 2.387 2.247 2.596 . 0 0 "[ . 1 . 2]" 1
452 1 41 VAL HA 1 46 LEU QB 1.800 . 4.670 3.453 2.297 4.253 . 0 0 "[ . 1 . 2]" 1
453 1 41 VAL HA 1 46 LEU MD1 1.800 . 4.900 4.210 3.126 4.842 . 0 0 "[ . 1 . 2]" 1
454 1 41 VAL HB 1 42 ARG H 1.800 . 4.520 3.475 2.153 4.497 . 0 0 "[ . 1 . 2]" 1
455 1 41 VAL MG1 1 46 LEU QB 1.800 . 4.280 2.884 2.199 3.953 . 0 0 "[ . 1 . 2]" 1
456 1 41 VAL MG1 1 47 SER HA 1.800 . 3.640 2.188 2.010 2.664 . 0 0 "[ . 1 . 2]" 1
457 1 41 VAL MG1 1 47 SER QB 1.800 . 3.930 3.242 2.084 3.941 0.011 9 0 "[ . 1 . 2]" 1
458 1 41 VAL MG1 1 47 SER H 1.800 . 4.260 3.435 2.685 4.232 . 0 0 "[ . 1 . 2]" 1
459 1 41 VAL MG1 1 48 ASN H 1.800 . 5.500 3.933 2.604 4.892 . 0 0 "[ . 1 . 2]" 1
460 1 41 VAL H 1 41 VAL HB 1.800 . 3.800 2.708 2.428 2.949 . 0 0 "[ . 1 . 2]" 1
461 1 41 VAL H 1 41 VAL MG2 1.800 . 4.000 2.730 2.277 3.277 . 0 0 "[ . 1 . 2]" 1
462 1 41 VAL H 1 42 ARG H 1.800 . 4.000 2.658 1.610 4.303 0.303 20 0 "[ . 1 . 2]" 1
463 1 42 ARG HA 1 42 ARG QD 1.800 . 4.700 3.828 2.199 4.535 . 0 0 "[ . 1 . 2]" 1
464 1 42 ARG HA 1 42 ARG QG 1.800 . 3.670 2.611 2.303 3.321 . 0 0 "[ . 1 . 2]" 1
465 1 42 ARG HA 1 43 LEU H 1.800 . 3.600 3.338 2.286 3.584 . 0 0 "[ . 1 . 2]" 1
466 1 42 ARG QB 1 42 ARG QD 1.800 . 3.220 2.235 2.127 2.304 . 0 0 "[ . 1 . 2]" 1
467 1 42 ARG QB 1 43 LEU H 1.800 . 3.980 2.679 1.703 3.886 0.097 6 0 "[ . 1 . 2]" 1
468 1 42 ARG QG 1 43 LEU H 1.800 . 4.610 3.534 1.702 4.400 0.098 5 0 "[ . 1 . 2]" 1
469 1 42 ARG H 1 42 ARG QB 1.800 . 3.530 2.582 2.266 3.340 . 0 0 "[ . 1 . 2]" 1
470 1 42 ARG H 1 42 ARG QD 1.800 . 4.780 4.223 3.565 4.901 0.121 7 0 "[ . 1 . 2]" 1
471 1 42 ARG H 1 42 ARG QG 1.800 . 4.260 2.791 1.762 4.135 0.038 5 0 "[ . 1 . 2]" 1
472 1 43 LEU HA 1 43 LEU MD1 1.800 . 4.140 2.813 2.088 4.146 0.006 1 0 "[ . 1 . 2]" 1
473 1 43 LEU HA 1 43 LEU MD2 1.800 . 4.140 3.050 2.116 4.131 . 0 0 "[ . 1 . 2]" 1
474 1 43 LEU HA 1 43 LEU HG 1.800 . 3.860 3.024 2.341 3.687 . 0 0 "[ . 1 . 2]" 1
475 1 43 LEU QB 1 43 LEU QD 1.800 . 2.590 1.948 1.891 2.014 . 0 0 "[ . 1 . 2]" 1
476 1 43 LEU QB 1 44 GLY H 1.800 . 4.000 2.872 1.756 3.911 0.044 14 0 "[ . 1 . 2]" 1
477 1 43 LEU HB3 1 43 LEU MD1 1.800 . 3.660 2.719 2.214 3.215 . 0 0 "[ . 1 . 2]" 1
478 1 43 LEU HB3 1 43 LEU MD2 1.800 . 3.660 2.536 2.189 3.201 . 0 0 "[ . 1 . 2]" 1
479 1 43 LEU HB2 1 43 LEU MD1 1.800 . 3.660 2.539 2.212 3.222 . 0 0 "[ . 1 . 2]" 1
480 1 43 LEU HB2 1 43 LEU MD2 1.800 . 3.660 2.638 2.279 3.218 . 0 0 "[ . 1 . 2]" 1
481 1 43 LEU QD 1 44 GLY H 1.800 . 4.570 3.655 2.112 4.498 . 0 0 "[ . 1 . 2]" 1
482 1 43 LEU MD1 1 44 GLY H 1.800 . 5.660 4.305 2.114 5.478 . 0 0 "[ . 1 . 2]" 1
483 1 43 LEU MD2 1 44 GLY H 1.800 . 5.660 4.339 2.259 5.385 . 0 0 "[ . 1 . 2]" 1
484 1 43 LEU H 1 43 LEU MD1 1.800 . 4.660 3.351 1.787 4.425 0.013 6 0 "[ . 1 . 2]" 1
485 1 43 LEU H 1 43 LEU MD2 1.800 . 4.660 3.183 1.713 4.881 0.221 15 0 "[ . 1 . 2]" 1
486 1 43 LEU H 1 43 LEU HG 1.800 . 4.770 3.518 1.816 4.660 . 0 0 "[ . 1 . 2]" 1
487 1 43 LEU H 1 44 GLY H 1.800 . 3.610 2.597 1.668 3.679 0.132 1 0 "[ . 1 . 2]" 1
488 1 44 GLY HA3 1 45 PRO QD 1.800 . 3.540 2.480 2.169 3.349 . 0 0 "[ . 1 . 2]" 1
489 1 44 GLY HA2 1 45 PRO QD 1.800 . 3.540 2.523 2.053 3.504 . 0 0 "[ . 1 . 2]" 1
490 1 45 PRO QB 1 46 LEU H 1.800 . 3.990 3.132 2.555 3.571 . 0 0 "[ . 1 . 2]" 1
491 1 45 PRO QD 1 46 LEU H 1.800 . 4.360 2.809 2.634 3.193 . 0 0 "[ . 1 . 2]" 1
492 1 45 PRO QG 1 46 LEU H 1.800 . 5.020 3.603 2.891 4.294 . 0 0 "[ . 1 . 2]" 1
493 1 45 PRO QG 1 96 ASN QD 1.800 . 5.500 4.087 1.877 5.547 0.047 15 0 "[ . 1 . 2]" 1
494 1 46 LEU HA 1 46 LEU MD1 1.800 . 4.500 3.753 2.166 3.884 . 0 0 "[ . 1 . 2]" 1
495 1 46 LEU HA 1 46 LEU MD2 1.800 . 4.000 2.145 2.112 2.281 . 0 0 "[ . 1 . 2]" 1
496 1 46 LEU HA 1 46 LEU HG 1.800 . 3.990 3.149 2.959 3.649 . 0 0 "[ . 1 . 2]" 1
497 1 46 LEU HA 1 49 LYS QB 1.800 . 4.360 2.449 2.098 3.372 . 0 0 "[ . 1 . 2]" 1
498 1 46 LEU HA 1 49 LYS QD 1.800 . 5.150 3.294 2.334 4.621 . 0 0 "[ . 1 . 2]" 1
499 1 46 LEU HA 1 49 LYS QG 1.800 . 5.000 3.802 2.292 4.557 . 0 0 "[ . 1 . 2]" 1
500 1 46 LEU QB 1 46 LEU MD2 1.800 . 3.130 2.251 2.217 2.338 . 0 0 "[ . 1 . 2]" 1
501 1 46 LEU QB 1 47 SER H 1.800 . 3.760 3.272 2.478 3.622 . 0 0 "[ . 1 . 2]" 1
502 1 46 LEU HB3 1 46 LEU MD1 1.800 . 3.440 2.359 2.235 2.465 . 0 0 "[ . 1 . 2]" 1
503 1 46 LEU HB2 1 46 LEU MD1 1.800 . 3.440 2.405 2.245 3.213 . 0 0 "[ . 1 . 2]" 1
504 1 46 LEU MD1 1 96 ASN HA 1.800 . 4.210 2.877 2.299 3.826 . 0 0 "[ . 1 . 2]" 1
505 1 46 LEU MD1 1 96 ASN QD 1.800 . 4.160 3.438 2.169 4.203 0.043 18 0 "[ . 1 . 2]" 1
506 1 46 LEU MD1 1 97 THR H 1.800 . 5.000 3.803 2.274 4.731 . 0 0 "[ . 1 . 2]" 1
507 1 46 LEU MD2 1 78 ILE MD 1.800 . 3.620 3.347 2.566 3.781 0.161 14 0 "[ . 1 . 2]" 1
508 1 46 LEU MD2 1 78 ILE MG 1.800 . 3.620 2.538 2.127 3.650 0.030 14 0 "[ . 1 . 2]" 1
509 1 46 LEU MD2 1 96 ASN HA 1.800 . 4.100 3.612 2.888 4.160 0.060 5 0 "[ . 1 . 2]" 1
510 1 46 LEU HG 1 96 ASN HA 1.800 . 5.000 4.362 3.559 5.013 0.013 17 0 "[ . 1 . 2]" 1
511 1 46 LEU HG 1 96 ASN QB 1.800 . 5.510 4.253 3.143 5.485 . 0 0 "[ . 1 . 2]" 1
512 1 46 LEU H 1 46 LEU QB 1.800 . 3.590 2.487 2.265 2.628 . 0 0 "[ . 1 . 2]" 1
513 1 46 LEU H 1 46 LEU MD1 1.800 . 4.020 3.590 3.421 3.787 . 0 0 "[ . 1 . 2]" 1
514 1 46 LEU H 1 46 LEU MD2 1.800 . 4.460 3.149 1.770 3.492 0.030 14 0 "[ . 1 . 2]" 1
515 1 46 LEU H 1 46 LEU HG 1.800 . 4.020 2.212 1.761 3.718 0.039 19 0 "[ . 1 . 2]" 1
516 1 46 LEU H 1 47 SER H 1.800 . 3.360 2.532 2.300 2.740 . 0 0 "[ . 1 . 2]" 1
517 1 47 SER HA 1 48 ASN H 1.800 . 3.560 2.799 2.130 3.579 0.019 8 0 "[ . 1 . 2]" 1
518 1 47 SER H 1 47 SER QB 1.800 . 3.090 2.488 2.229 3.196 0.106 13 0 "[ . 1 . 2]" 1
519 1 48 ASN HA 1 48 ASN QD 1.800 . 4.500 2.997 1.773 4.277 0.027 1 0 "[ . 1 . 2]" 1
520 1 48 ASN HA 1 49 LYS H 1.800 . 3.470 3.034 2.716 3.260 . 0 0 "[ . 1 . 2]" 1
521 1 48 ASN QB 1 49 LYS H 1.800 . 4.110 3.731 3.463 4.058 . 0 0 "[ . 1 . 2]" 1
522 1 48 ASN H 1 49 LYS H 1.800 . 4.000 2.748 1.961 3.195 . 0 0 "[ . 1 . 2]" 1
523 1 49 LYS HA 1 49 LYS QD 1.800 . 4.440 3.444 2.140 4.139 . 0 0 "[ . 1 . 2]" 1
524 1 49 LYS HA 1 49 LYS QG 1.800 . 3.590 2.386 2.215 2.920 . 0 0 "[ . 1 . 2]" 1
525 1 49 LYS HA 1 50 ILE H 1.800 . 3.140 2.202 2.138 2.304 . 0 0 "[ . 1 . 2]" 1
526 1 49 LYS QB 1 50 ILE H 1.800 . 4.090 3.491 2.731 3.793 . 0 0 "[ . 1 . 2]" 1
527 1 49 LYS HB3 1 49 LYS QE 1.800 . 4.870 3.617 2.227 4.395 . 0 0 "[ . 1 . 2]" 1
528 1 49 LYS HB2 1 49 LYS QE 1.800 . 4.870 3.687 2.294 4.255 . 0 0 "[ . 1 . 2]" 1
529 1 49 LYS QD 1 73 TYR QE 1.800 . 5.000 4.250 2.711 5.076 0.076 8 0 "[ . 1 . 2]" 1
530 1 49 LYS QE 1 73 TYR QE 1.800 . 4.600 3.006 2.266 4.694 0.094 14 0 "[ . 1 . 2]" 1
531 1 49 LYS QE 1 97 THR MG 1.800 . 4.810 4.257 2.365 4.791 . 0 0 "[ . 1 . 2]" 1
532 1 49 LYS QE 1 49 LYS QG 1.800 . 3.510 2.187 2.123 2.311 . 0 0 "[ . 1 . 2]" 1
533 1 49 LYS H 1 49 LYS QB 1.800 . 3.410 2.342 2.229 2.526 . 0 0 "[ . 1 . 2]" 1
534 1 49 LYS H 1 49 LYS QD 1.800 . 4.750 4.397 3.740 4.906 0.156 12 0 "[ . 1 . 2]" 1
535 1 49 LYS H 1 49 LYS QG 1.800 . 4.300 3.771 2.416 4.125 . 0 0 "[ . 1 . 2]" 1
536 1 50 ILE HA 1 50 ILE MD 1.800 . 4.080 3.166 2.086 3.828 . 0 0 "[ . 1 . 2]" 1
537 1 50 ILE HA 1 50 ILE MG 1.800 . 3.700 2.350 2.251 2.405 . 0 0 "[ . 1 . 2]" 1
538 1 50 ILE HA 1 51 LEU H 1.800 . 3.290 2.166 2.116 2.202 . 0 0 "[ . 1 . 2]" 1
539 1 50 ILE HB 1 50 ILE MD 1.800 . 3.480 2.420 2.194 3.210 . 0 0 "[ . 1 . 2]" 1
540 1 50 ILE HB 1 51 LEU H 1.800 . 4.540 4.327 4.170 4.454 . 0 0 "[ . 1 . 2]" 1
541 1 50 ILE MD 1 51 LEU H 1.800 . 5.500 4.797 3.764 5.364 . 0 0 "[ . 1 . 2]" 1
542 1 50 ILE HG13 1 50 ILE MG 1.800 . 3.570 2.759 2.261 3.198 . 0 0 "[ . 1 . 2]" 1
543 1 50 ILE HG12 1 50 ILE MG 1.800 . 3.570 2.414 2.115 3.200 . 0 0 "[ . 1 . 2]" 1
544 1 50 ILE H 1 50 ILE HB 1.800 . 3.420 2.448 2.367 2.656 . 0 0 "[ . 1 . 2]" 1
545 1 50 ILE H 1 50 ILE HG13 1.800 . 4.700 3.104 2.332 3.737 . 0 0 "[ . 1 . 2]" 1
546 1 50 ILE H 1 50 ILE HG12 1.800 . 4.700 3.569 2.015 4.035 . 0 0 "[ . 1 . 2]" 1
547 1 51 LEU HA 1 51 LEU MD1 1.800 . 4.510 3.283 2.159 4.101 . 0 0 "[ . 1 . 2]" 1
548 1 51 LEU HA 1 51 LEU MD2 1.800 . 4.510 2.675 2.096 3.745 . 0 0 "[ . 1 . 2]" 1
549 1 51 LEU HA 1 51 LEU HG 1.800 . 4.200 2.955 2.315 3.700 . 0 0 "[ . 1 . 2]" 1
550 1 51 LEU HA 1 52 GLN H 1.800 . 3.190 2.230 2.156 2.427 . 0 0 "[ . 1 . 2]" 1
551 1 51 LEU HA 1 73 TYR QD 1.800 . 4.110 3.245 2.822 3.835 . 0 0 "[ . 1 . 2]" 1
552 1 51 LEU QB 1 51 LEU MD1 1.800 . 3.740 2.149 2.052 2.260 . 0 0 "[ . 1 . 2]" 1
553 1 51 LEU QB 1 51 LEU MD2 1.800 . 3.740 2.213 2.089 2.329 . 0 0 "[ . 1 . 2]" 1
554 1 51 LEU QB 1 72 TYR H 1.800 . 4.640 3.737 3.281 4.218 . 0 0 "[ . 1 . 2]" 1
555 1 51 LEU HB3 1 52 GLN H 1.800 . 4.730 3.032 2.823 3.886 . 0 0 "[ . 1 . 2]" 1
556 1 51 LEU HB3 1 71 LEU MD2 1.800 . 4.390 3.382 2.872 4.681 0.291 18 0 "[ . 1 . 2]" 1
557 1 51 LEU HB2 1 52 GLN H 1.800 . 4.730 3.958 2.498 4.247 . 0 0 "[ . 1 . 2]" 1
558 1 51 LEU HB2 1 71 LEU MD2 1.800 . 4.390 3.456 2.842 4.227 . 0 0 "[ . 1 . 2]" 1
559 1 51 LEU QD 1 52 GLN H 1.800 . 4.080 3.546 2.792 4.064 . 0 0 "[ . 1 . 2]" 1
560 1 51 LEU QD 1 73 TYR HA 1.800 . 4.840 4.114 3.323 4.858 0.018 16 0 "[ . 1 . 2]" 1
561 1 51 LEU QD 1 73 TYR QD 1.800 . 3.670 2.953 2.104 3.700 0.030 19 0 "[ . 1 . 2]" 1
562 1 51 LEU QD 1 78 ILE HB 1.800 . 4.300 3.199 2.469 3.969 . 0 0 "[ . 1 . 2]" 1
563 1 51 LEU QD 1 78 ILE QG 1.800 . 5.280 2.639 2.088 4.115 . 0 0 "[ . 1 . 2]" 1
564 1 51 LEU QD 1 78 ILE MG 1.800 . 3.050 2.480 2.076 3.079 0.029 17 0 "[ . 1 . 2]" 1
565 1 51 LEU HG 1 52 GLN H 1.800 . 5.180 4.543 3.136 5.092 . 0 0 "[ . 1 . 2]" 1
566 1 51 LEU H 1 51 LEU QB 1.800 . 3.670 2.495 2.267 2.953 . 0 0 "[ . 1 . 2]" 1
567 1 51 LEU H 1 51 LEU QD 1.800 . 3.400 2.873 1.722 3.409 0.078 18 0 "[ . 1 . 2]" 1
568 1 51 LEU H 1 51 LEU HG 1.800 . 4.170 3.307 2.517 4.264 0.094 7 0 "[ . 1 . 2]" 1
569 1 52 GLN HA 1 52 GLN HG3 1.800 . 4.100 2.890 2.331 3.761 . 0 0 "[ . 1 . 2]" 1
570 1 52 GLN HA 1 52 GLN HG2 1.800 . 4.100 2.971 2.304 3.728 . 0 0 "[ . 1 . 2]" 1
571 1 52 GLN HA 1 53 THR H 1.800 . 3.430 2.187 2.122 2.232 . 0 0 "[ . 1 . 2]" 1
572 1 52 GLN QB 1 72 TYR H 1.800 . 4.570 2.994 2.572 3.634 . 0 0 "[ . 1 . 2]" 1
573 1 52 GLN QG 1 53 THR H 1.800 . 4.850 3.781 2.930 4.824 . 0 0 "[ . 1 . 2]" 1
574 1 52 GLN H 1 52 GLN QG 1.800 . 4.060 3.198 1.966 4.062 0.002 5 0 "[ . 1 . 2]" 1
575 1 52 GLN H 1 72 TYR H 1.800 . 3.860 3.514 3.244 3.899 0.039 18 0 "[ . 1 . 2]" 1
576 1 53 THR HA 1 53 THR MG 1.800 . 3.330 2.426 2.232 3.197 . 0 0 "[ . 1 . 2]" 1
577 1 53 THR HA 1 54 ASN H 1.800 . 3.530 2.201 2.124 2.380 . 0 0 "[ . 1 . 2]" 1
578 1 53 THR HA 1 71 LEU HA 1.800 . 3.940 2.770 2.491 3.120 . 0 0 "[ . 1 . 2]" 1
579 1 53 THR HA 1 71 LEU MD2 1.800 . 3.430 2.270 2.047 2.608 . 0 0 "[ . 1 . 2]" 1
580 1 53 THR HA 1 72 TYR H 1.800 . 4.590 3.877 3.339 4.374 . 0 0 "[ . 1 . 2]" 1
581 1 53 THR HB 1 54 ASN H 1.800 . 4.410 3.798 2.641 4.373 . 0 0 "[ . 1 . 2]" 1
582 1 53 THR HB 1 71 LEU MD2 1.800 . 4.690 3.477 2.088 4.410 . 0 0 "[ . 1 . 2]" 1
583 1 53 THR MG 1 54 ASN H 1.800 . 4.260 3.386 1.937 4.303 0.043 2 0 "[ . 1 . 2]" 1
584 1 53 THR MG 1 71 LEU MD2 1.800 . 3.580 2.339 1.889 3.308 . 0 0 "[ . 1 . 2]" 1
585 1 53 THR MG 1 71 LEU HG 1.800 . 5.070 4.651 3.872 5.499 0.429 1 0 "[ . 1 . 2]" 1
586 1 53 THR H 1 53 THR MG 1.800 . 3.970 3.016 1.995 3.808 . 0 0 "[ . 1 . 2]" 1
587 1 54 ASN HA 1 55 THR H 1.800 . 3.380 2.216 2.154 2.304 . 0 0 "[ . 1 . 2]" 1
588 1 54 ASN QB 1 56 TYR QE 1.800 . 4.560 3.047 2.174 3.564 . 0 0 "[ . 1 . 2]" 1
589 1 54 ASN QB 1 69 PHE HA 1.800 . 5.260 4.560 4.220 5.313 0.053 16 0 "[ . 1 . 2]" 1
590 1 54 ASN QB 1 70 ILE HB 1.800 . 5.000 2.873 2.327 4.282 . 0 0 "[ . 1 . 2]" 1
591 1 54 ASN QB 1 70 ILE MD 1.800 . 5.340 3.966 3.043 4.755 . 0 0 "[ . 1 . 2]" 1
592 1 54 ASN QB 1 70 ILE QG 1.800 . 5.340 4.389 3.763 5.377 0.037 15 0 "[ . 1 . 2]" 1
593 1 54 ASN QB 1 70 ILE H 1.800 . 4.210 3.166 2.722 4.137 . 0 0 "[ . 1 . 2]" 1
594 1 54 ASN H 1 54 ASN QD 1.800 . 4.780 4.350 2.571 4.862 0.082 6 0 "[ . 1 . 2]" 1
595 1 54 ASN H 1 55 THR H 1.800 . 4.440 3.987 3.478 4.181 . 0 0 "[ . 1 . 2]" 1
596 1 54 ASN H 1 70 ILE H 1.800 . 4.270 2.940 2.384 3.529 . 0 0 "[ . 1 . 2]" 1
597 1 54 ASN H 1 71 LEU HA 1.800 . 4.230 3.603 3.105 4.259 0.029 15 0 "[ . 1 . 2]" 1
598 1 54 ASN H 1 71 LEU MD2 1.800 . 3.720 3.269 2.620 3.737 0.017 1 0 "[ . 1 . 2]" 1
599 1 55 THR HA 1 55 THR MG 1.800 . 3.420 2.312 2.255 2.371 . 0 0 "[ . 1 . 2]" 1
600 1 55 THR HA 1 69 PHE HA 1.800 . 3.840 2.483 2.279 3.159 . 0 0 "[ . 1 . 2]" 1
601 1 55 THR HA 1 70 ILE H 1.800 . 4.610 3.805 3.315 4.103 . 0 0 "[ . 1 . 2]" 1
602 1 55 THR MG 1 56 TYR H 1.800 . 3.600 2.569 2.374 3.487 . 0 0 "[ . 1 . 2]" 1
603 1 55 THR MG 1 67 TYR QB 1.800 . 3.570 2.839 2.240 3.540 . 0 0 "[ . 1 . 2]" 1
604 1 55 THR MG 1 67 TYR QD 1.800 . 3.840 3.491 2.974 3.895 0.055 11 0 "[ . 1 . 2]" 1
605 1 55 THR MG 1 69 PHE QB 1.800 . 5.800 3.069 2.248 5.232 . 0 0 "[ . 1 . 2]" 1
606 1 55 THR MG 1 83 ILE QG 1.800 . 5.700 5.551 4.967 5.798 0.098 7 0 "[ . 1 . 2]" 1
607 1 55 THR H 1 55 THR HB 1.800 . 3.930 2.565 2.416 3.661 . 0 0 "[ . 1 . 2]" 1
608 1 56 TYR HA 1 56 TYR QD 1.800 . 4.220 2.973 2.719 3.176 . 0 0 "[ . 1 . 2]" 1
609 1 56 TYR HA 1 56 TYR QE 1.800 . 4.720 4.624 4.469 4.826 0.106 16 0 "[ . 1 . 2]" 1
610 1 56 TYR HA 1 57 TYR H 1.800 . 3.460 2.199 2.142 2.267 . 0 0 "[ . 1 . 2]" 1
611 1 56 TYR QB 1 57 TYR H 1.800 . 4.070 3.135 2.978 3.443 . 0 0 "[ . 1 . 2]" 1
612 1 56 TYR QD 1 57 TYR H 1.800 . 4.810 4.262 3.939 4.629 . 0 0 "[ . 1 . 2]" 1
613 1 56 TYR QD 1 69 PHE HA 1.800 . 4.260 3.096 2.496 4.305 0.045 11 0 "[ . 1 . 2]" 1
614 1 56 TYR QE 1 69 PHE HA 1.800 . 4.670 3.782 2.698 4.604 . 0 0 "[ . 1 . 2]" 1
615 1 56 TYR QE 1 70 ILE HB 1.800 . 4.270 3.028 2.369 3.732 . 0 0 "[ . 1 . 2]" 1
616 1 56 TYR QE 1 70 ILE MD 1.800 . 3.930 2.514 2.179 3.282 . 0 0 "[ . 1 . 2]" 1
617 1 56 TYR QE 1 70 ILE HG13 1.800 . 5.500 2.976 2.352 3.964 . 0 0 "[ . 1 . 2]" 1
618 1 56 TYR QE 1 70 ILE HG12 1.800 . 5.500 4.463 3.835 5.321 . 0 0 "[ . 1 . 2]" 1
619 1 56 TYR H 1 69 PHE HA 1.800 . 4.460 3.424 2.566 4.431 . 0 0 "[ . 1 . 2]" 1
620 1 57 TYR HA 1 57 TYR QD 1.800 . 3.940 3.188 2.360 3.723 . 0 0 "[ . 1 . 2]" 1
621 1 57 TYR HA 1 61 LEU QB 1.800 . 4.650 3.308 2.813 4.100 . 0 0 "[ . 1 . 2]" 1
622 1 57 TYR HA 1 61 LEU MD1 1.800 . 4.700 3.841 2.602 4.895 0.195 9 0 "[ . 1 . 2]" 1
623 1 57 TYR QB 1 58 SER H 1.800 . 3.760 3.147 2.548 3.424 . 0 0 "[ . 1 . 2]" 1
624 1 57 TYR QD 1 58 SER H 1.800 . 4.730 3.957 3.450 4.336 . 0 0 "[ . 1 . 2]" 1
625 1 57 TYR H 1 57 TYR QD 1.800 . 4.550 2.785 2.081 3.278 . 0 0 "[ . 1 . 2]" 1
626 1 58 SER HA 1 59 ASP H 1.800 . 3.120 2.445 2.308 2.660 . 0 0 "[ . 1 . 2]" 1
627 1 58 SER HA 1 61 LEU QB 1.800 . 4.580 4.306 4.033 4.543 . 0 0 "[ . 1 . 2]" 1
628 1 58 SER QB 1 59 ASP H 1.800 . 4.120 2.794 2.255 3.431 . 0 0 "[ . 1 . 2]" 1
629 1 58 SER H 1 61 LEU HB3 1.800 . 4.060 3.282 1.860 4.085 0.025 17 0 "[ . 1 . 2]" 1
630 1 58 SER H 1 61 LEU HB2 1.800 . 4.060 2.132 1.735 3.489 0.065 20 0 "[ . 1 . 2]" 1
631 1 58 SER H 1 61 LEU MD1 1.800 . 5.040 3.141 2.078 4.589 . 0 0 "[ . 1 . 2]" 1
632 1 58 SER H 1 61 LEU H 1.800 . 4.200 3.700 3.226 4.213 0.013 17 0 "[ . 1 . 2]" 1
633 1 58 SER H 1 62 HIS H 1.800 . 4.320 3.459 2.782 3.947 . 0 0 "[ . 1 . 2]" 1
634 1 59 ASP HA 1 62 HIS QB 1.800 . 3.930 2.863 2.551 3.299 . 0 0 "[ . 1 . 2]" 1
635 1 59 ASP HA 1 62 HIS H 1.800 . 4.800 3.663 3.465 4.049 . 0 0 "[ . 1 . 2]" 1
636 1 59 ASP HA 1 63 LYS H 1.800 . 4.800 4.288 3.882 4.589 . 0 0 "[ . 1 . 2]" 1
637 1 59 ASP QB 1 60 THR H 1.800 . 3.530 2.560 2.151 3.424 . 0 0 "[ . 1 . 2]" 1
638 1 59 ASP H 1 59 ASP QB 1.800 . 3.290 2.339 2.239 2.563 . 0 0 "[ . 1 . 2]" 1
639 1 60 THR HA 1 60 THR MG 1.800 . 3.220 2.398 2.244 3.199 . 0 0 "[ . 1 . 2]" 1
640 1 60 THR HA 1 63 LYS QB 1.800 . 4.010 2.833 2.629 3.136 . 0 0 "[ . 1 . 2]" 1
641 1 60 THR HA 1 63 LYS QD 1.800 . 4.000 3.259 2.468 4.130 0.130 17 0 "[ . 1 . 2]" 1
642 1 60 THR HA 1 63 LYS QG 1.800 . 4.610 4.110 3.247 4.812 0.202 20 0 "[ . 1 . 2]" 1
643 1 60 THR HA 1 63 LYS H 1.800 . 4.930 3.534 3.373 3.691 . 0 0 "[ . 1 . 2]" 1
644 1 60 THR HB 1 61 LEU H 1.800 . 4.410 3.111 2.384 4.145 . 0 0 "[ . 1 . 2]" 1
645 1 60 THR H 1 60 THR MG 1.800 . 3.810 2.885 1.735 3.764 0.065 6 0 "[ . 1 . 2]" 1
646 1 60 THR H 1 61 LEU H 1.800 . 4.040 2.667 2.537 2.755 . 0 0 "[ . 1 . 2]" 1
647 1 60 THR H 1 62 HIS H 1.800 . 4.880 4.155 4.032 4.259 . 0 0 "[ . 1 . 2]" 1
648 1 61 LEU HA 1 61 LEU QD 1.800 . 3.300 2.189 1.969 2.662 . 0 0 "[ . 1 . 2]" 1
649 1 61 LEU HA 1 61 LEU MD1 1.800 . 4.350 3.150 2.110 3.831 . 0 0 "[ . 1 . 2]" 1
650 1 61 LEU HA 1 61 LEU MD2 1.800 . 4.350 2.718 2.122 3.824 . 0 0 "[ . 1 . 2]" 1
651 1 61 LEU HA 1 61 LEU HG 1.800 . 4.030 2.812 2.283 3.648 . 0 0 "[ . 1 . 2]" 1
652 1 61 LEU HA 1 66 ILE HB 1.800 . 4.730 3.305 2.683 4.132 . 0 0 "[ . 1 . 2]" 1
653 1 61 LEU QB 1 61 LEU MD1 1.800 . 4.050 2.174 2.088 2.337 . 0 0 "[ . 1 . 2]" 1
654 1 61 LEU QB 1 61 LEU MD2 1.800 . 4.050 2.183 2.077 2.373 . 0 0 "[ . 1 . 2]" 1
655 1 61 LEU QB 1 68 PRO QD 1.800 . 4.700 3.185 2.748 4.541 . 0 0 "[ . 1 . 2]" 1
656 1 61 LEU HB3 1 62 HIS H 1.800 . 4.560 3.419 2.520 3.642 . 0 0 "[ . 1 . 2]" 1
657 1 61 LEU HB2 1 62 HIS H 1.800 . 4.560 2.711 2.559 3.814 . 0 0 "[ . 1 . 2]" 1
658 1 61 LEU QD 1 62 HIS H 1.800 . 4.990 3.945 3.710 4.114 . 0 0 "[ . 1 . 2]" 1
659 1 61 LEU QD 1 66 ILE HB 1.800 . 4.150 2.819 2.182 3.820 . 0 0 "[ . 1 . 2]" 1
660 1 61 LEU QD 1 66 ILE MG 1.800 . 3.980 2.939 2.150 3.652 . 0 0 "[ . 1 . 2]" 1
661 1 61 LEU QD 1 68 PRO HA 1.800 . 5.440 4.952 4.618 5.394 . 0 0 "[ . 1 . 2]" 1
662 1 61 LEU MD1 1 68 PRO QD 1.800 . 4.450 2.950 2.160 4.530 0.080 13 0 "[ . 1 . 2]" 1
663 1 61 LEU MD1 1 68 PRO QG 1.800 . 4.580 2.851 2.029 4.476 . 0 0 "[ . 1 . 2]" 1
664 1 61 LEU MD2 1 67 TYR QD 1.800 . 6.500 5.546 4.069 6.455 . 0 0 "[ . 1 . 2]" 1
665 1 61 LEU MD2 1 68 PRO QD 1.800 . 4.450 2.682 1.994 4.448 . 0 0 "[ . 1 . 2]" 1
666 1 61 LEU MD2 1 68 PRO QG 1.800 . 4.580 2.658 2.012 4.371 . 0 0 "[ . 1 . 2]" 1
667 1 61 LEU HG 1 68 PRO QD 1.800 . 5.180 4.076 2.844 5.175 . 0 0 "[ . 1 . 2]" 1
668 1 61 LEU H 1 61 LEU HB3 1.800 . 4.070 3.533 2.592 3.618 . 0 0 "[ . 1 . 2]" 1
669 1 61 LEU H 1 61 LEU HB2 1.800 . 4.070 2.353 2.227 2.501 . 0 0 "[ . 1 . 2]" 1
670 1 61 LEU H 1 61 LEU QD 1.800 . 4.160 2.660 1.826 3.678 . 0 0 "[ . 1 . 2]" 1
671 1 61 LEU H 1 61 LEU MD1 1.800 . 5.500 3.086 1.832 3.998 . 0 0 "[ . 1 . 2]" 1
672 1 61 LEU H 1 61 LEU MD2 1.800 . 5.500 3.460 1.833 4.294 . 0 0 "[ . 1 . 2]" 1
673 1 61 LEU H 1 61 LEU HG 1.800 . 4.600 3.012 2.200 4.496 . 0 0 "[ . 1 . 2]" 1
674 1 61 LEU H 1 62 HIS H 1.800 . 3.780 2.688 2.643 2.750 . 0 0 "[ . 1 . 2]" 1
675 1 62 HIS HA 1 65 ASN H 1.800 . 4.250 3.473 3.275 3.881 . 0 0 "[ . 1 . 2]" 1
676 1 62 HIS QB 1 63 LYS H 1.800 . 3.390 2.496 2.352 2.629 . 0 0 "[ . 1 . 2]" 1
677 1 62 HIS H 1 62 HIS HB3 1.800 . 3.540 2.817 2.519 3.608 0.068 11 0 "[ . 1 . 2]" 1
678 1 62 HIS H 1 62 HIS HB2 1.800 . 3.540 2.484 2.164 2.581 . 0 0 "[ . 1 . 2]" 1
679 1 62 HIS H 1 63 LYS H 1.800 . 3.630 2.695 2.596 2.809 . 0 0 "[ . 1 . 2]" 1
680 1 63 LYS HA 1 63 LYS HG3 1.800 . 3.860 2.677 2.280 2.986 . 0 0 "[ . 1 . 2]" 1
681 1 63 LYS HA 1 63 LYS HG2 1.800 . 3.860 2.775 2.383 3.573 . 0 0 "[ . 1 . 2]" 1
682 1 63 LYS QB 1 63 LYS QD 1.800 . 3.680 2.159 2.128 2.256 . 0 0 "[ . 1 . 2]" 1
683 1 63 LYS QB 1 64 SER H 1.800 . 3.720 2.530 2.416 2.682 . 0 0 "[ . 1 . 2]" 1
684 1 63 LYS QE 1 63 LYS QG 1.800 . 3.420 2.196 2.123 2.342 . 0 0 "[ . 1 . 2]" 1
685 1 63 LYS H 1 63 LYS QB 1.800 . 2.970 2.324 2.216 2.416 . 0 0 "[ . 1 . 2]" 1
686 1 63 LYS H 1 63 LYS QG 1.800 . 4.030 3.078 2.191 3.983 . 0 0 "[ . 1 . 2]" 1
687 1 63 LYS H 1 64 SER H 1.800 . 3.510 2.673 2.630 2.728 . 0 0 "[ . 1 . 2]" 1
688 1 64 SER QB 1 65 ASN H 1.800 . 4.240 3.387 3.112 3.826 . 0 0 "[ . 1 . 2]" 1
689 1 64 SER QB 1 66 ILE MD 1.800 . 4.010 2.626 2.034 3.886 . 0 0 "[ . 1 . 2]" 1
690 1 64 SER QB 1 66 ILE QG 1.800 . 3.700 2.534 2.022 3.647 . 0 0 "[ . 1 . 2]" 1
691 1 64 SER QB 1 66 ILE H 1.800 . 3.920 3.204 2.631 3.935 0.015 4 0 "[ . 1 . 2]" 1
692 1 64 SER H 1 64 SER QB 1.800 . 3.310 2.479 2.271 2.614 . 0 0 "[ . 1 . 2]" 1
693 1 64 SER H 1 65 ASN H 1.800 . 3.330 2.514 2.422 2.742 . 0 0 "[ . 1 . 2]" 1
694 1 65 ASN HA 1 66 ILE H 1.800 . 3.530 2.865 2.765 3.048 . 0 0 "[ . 1 . 2]" 1
695 1 65 ASN HA 1 67 TYR QE 1.800 . 4.510 3.473 2.466 4.018 . 0 0 "[ . 1 . 2]" 1
696 1 65 ASN QB 1 85 GLU HA 1.800 . 3.540 2.649 2.207 3.555 0.015 19 0 "[ . 1 . 2]" 1
697 1 65 ASN QB 1 85 GLU QB 1.800 . 4.000 3.514 2.313 4.099 0.099 16 0 "[ . 1 . 2]" 1
698 1 65 ASN QB 1 85 GLU H 1.800 . 4.550 3.853 2.738 4.592 0.042 7 0 "[ . 1 . 2]" 1
699 1 65 ASN HB3 1 66 ILE H 1.800 . 5.500 4.375 4.175 4.568 . 0 0 "[ . 1 . 2]" 1
700 1 65 ASN HB2 1 66 ILE H 1.800 . 5.500 4.343 3.986 4.636 . 0 0 "[ . 1 . 2]" 1
701 1 65 ASN H 1 65 ASN QB 1.800 . 3.700 3.220 2.937 3.517 . 0 0 "[ . 1 . 2]" 1
702 1 65 ASN H 1 66 ILE H 1.800 . 3.610 2.695 2.485 2.800 . 0 0 "[ . 1 . 2]" 1
703 1 66 ILE HA 1 66 ILE MD 1.800 . 3.840 3.241 2.071 3.842 0.002 2 0 "[ . 1 . 2]" 1
704 1 66 ILE HA 1 67 TYR H 1.800 . 3.410 2.164 2.117 2.193 . 0 0 "[ . 1 . 2]" 1
705 1 66 ILE HB 1 67 TYR H 1.800 . 4.290 4.183 4.115 4.312 0.022 15 0 "[ . 1 . 2]" 1
706 1 66 ILE HB 1 68 PRO QD 1.800 . 4.570 3.687 3.308 4.365 . 0 0 "[ . 1 . 2]" 1
707 1 66 ILE MD 1 84 ASP HA 1.800 . 3.810 3.408 2.082 3.932 0.122 17 0 "[ . 1 . 2]" 1
708 1 66 ILE MD 1 66 ILE MG 1.800 . 3.210 1.952 1.817 3.233 0.023 15 0 "[ . 1 . 2]" 1
709 1 66 ILE MG 1 67 TYR H 1.800 . 4.090 2.590 2.442 2.765 . 0 0 "[ . 1 . 2]" 1
710 1 66 ILE MG 1 68 PRO QD 1.800 . 4.480 2.399 2.260 3.402 . 0 0 "[ . 1 . 2]" 1
711 1 66 ILE MG 1 68 PRO QG 1.800 . 5.290 3.237 2.450 4.707 . 0 0 "[ . 1 . 2]" 1
712 1 66 ILE MG 1 82 PHE QB 1.800 . 3.800 2.654 2.057 3.821 0.021 7 0 "[ . 1 . 2]" 1
713 1 66 ILE MG 1 82 PHE QD 1.800 . 5.000 2.637 2.205 4.080 . 0 0 "[ . 1 . 2]" 1
714 1 66 ILE MG 1 84 ASP HA 1.800 . 5.040 3.389 2.341 4.350 . 0 0 "[ . 1 . 2]" 1
715 1 66 ILE H 1 66 ILE HB 1.800 . 3.410 2.589 2.417 2.672 . 0 0 "[ . 1 . 2]" 1
716 1 66 ILE H 1 66 ILE MD 1.800 . 4.290 3.638 2.483 3.966 . 0 0 "[ . 1 . 2]" 1
717 1 66 ILE H 1 66 ILE QG 1.800 . 3.730 2.750 2.505 3.768 0.038 15 0 "[ . 1 . 2]" 1
718 1 66 ILE H 1 66 ILE MG 1.800 . 4.210 3.842 3.703 3.877 . 0 0 "[ . 1 . 2]" 1
719 1 67 TYR HA 1 67 TYR QD 1.800 . 4.140 2.670 2.345 3.070 . 0 0 "[ . 1 . 2]" 1
720 1 67 TYR QB 1 83 ILE HB 1.800 . 3.670 2.409 2.292 2.714 . 0 0 "[ . 1 . 2]" 1
721 1 67 TYR QB 1 83 ILE MD 1.800 . 3.510 2.701 2.268 3.323 . 0 0 "[ . 1 . 2]" 1
722 1 67 TYR QB 1 83 ILE QG 1.800 . 5.080 3.517 3.072 3.802 . 0 0 "[ . 1 . 2]" 1
723 1 67 TYR QB 1 83 ILE MG 1.800 . 4.000 3.759 3.388 3.966 . 0 0 "[ . 1 . 2]" 1
724 1 67 TYR QB 1 83 ILE H 1.800 . 4.300 3.278 2.651 3.980 . 0 0 "[ . 1 . 2]" 1
725 1 67 TYR QD 1 83 ILE HB 1.800 . 4.190 2.907 2.474 3.651 . 0 0 "[ . 1 . 2]" 1
726 1 67 TYR QD 1 83 ILE MD 1.800 . 4.420 3.668 2.599 4.462 0.042 16 0 "[ . 1 . 2]" 1
727 1 67 TYR QD 1 83 ILE MG 1.800 . 3.970 3.311 2.724 3.946 . 0 0 "[ . 1 . 2]" 1
728 1 67 TYR H 1 67 TYR QD 1.800 . 4.320 2.864 2.242 3.227 . 0 0 "[ . 1 . 2]" 1
729 1 67 TYR H 1 83 ILE HB 1.800 . 4.000 2.984 2.586 3.741 . 0 0 "[ . 1 . 2]" 1
730 1 68 PRO HA 1 69 PHE H 1.800 . 3.520 2.249 2.174 2.300 . 0 0 "[ . 1 . 2]" 1
731 1 68 PRO HA 1 82 PHE HA 1.800 . 3.740 2.316 2.206 2.852 . 0 0 "[ . 1 . 2]" 1
732 1 68 PRO HA 1 82 PHE HB3 1.800 . 4.250 2.493 2.288 3.653 . 0 0 "[ . 1 . 2]" 1
733 1 68 PRO HA 1 82 PHE HB2 1.800 . 4.250 2.738 2.283 4.523 0.273 7 0 "[ . 1 . 2]" 1
734 1 68 PRO HA 1 82 PHE QD 1.800 . 5.460 4.176 2.460 4.981 . 0 0 "[ . 1 . 2]" 1
735 1 69 PHE HA 1 69 PHE QD 1.800 . 4.790 3.525 2.588 3.719 . 0 0 "[ . 1 . 2]" 1
736 1 69 PHE HA 1 70 ILE H 1.800 . 3.470 2.272 2.116 2.383 . 0 0 "[ . 1 . 2]" 1
737 1 69 PHE HA 1 71 LEU MD2 1.800 . 5.480 5.241 4.406 5.657 0.177 18 0 "[ . 1 . 2]" 1
738 1 69 PHE QB 1 70 ILE H 1.800 . 3.660 2.801 2.458 3.632 . 0 0 "[ . 1 . 2]" 1
739 1 69 PHE QB 1 71 LEU MD2 1.800 . 3.930 3.742 3.401 4.037 0.107 14 0 "[ . 1 . 2]" 1
740 1 69 PHE QD 1 70 ILE H 1.800 . 4.200 3.360 2.331 3.998 . 0 0 "[ . 1 . 2]" 1
741 1 69 PHE QD 1 71 LEU MD1 1.800 . 4.520 3.860 3.307 4.437 . 0 0 "[ . 1 . 2]" 1
742 1 69 PHE QD 1 71 LEU MD2 1.800 . 3.640 2.464 2.157 3.205 . 0 0 "[ . 1 . 2]" 1
743 1 69 PHE QD 1 71 LEU HG 1.800 . 4.000 3.111 2.329 3.802 . 0 0 "[ . 1 . 2]" 1
744 1 69 PHE QE 1 71 LEU MD1 1.800 . 4.620 3.058 2.210 4.818 0.198 11 0 "[ . 1 . 2]" 1
745 1 69 PHE QE 1 83 ILE MD 1.800 . 5.000 3.417 2.356 3.974 . 0 0 "[ . 1 . 2]" 1
746 1 69 PHE QE 1 83 ILE QG 1.800 . 5.000 2.872 2.250 5.105 0.105 16 0 "[ . 1 . 2]" 1
747 1 69 PHE H 1 69 PHE QD 1.800 . 4.340 3.091 2.803 4.338 . 0 0 "[ . 1 . 2]" 1
748 1 69 PHE H 1 81 GLY H 1.800 . 4.590 3.617 3.239 4.037 . 0 0 "[ . 1 . 2]" 1
749 1 69 PHE H 1 82 PHE HA 1.800 . 3.990 2.870 2.233 3.303 . 0 0 "[ . 1 . 2]" 1
750 1 69 PHE H 1 82 PHE QB 1.800 . 4.690 3.523 3.080 4.548 . 0 0 "[ . 1 . 2]" 1
751 1 70 ILE HA 1 70 ILE MD 1.800 . 4.080 3.829 3.791 3.848 . 0 0 "[ . 1 . 2]" 1
752 1 70 ILE HA 1 70 ILE MG 1.800 . 3.480 2.324 2.290 2.361 . 0 0 "[ . 1 . 2]" 1
753 1 70 ILE HA 1 71 LEU H 1.800 . 3.490 2.218 2.135 2.302 . 0 0 "[ . 1 . 2]" 1
754 1 70 ILE HB 1 70 ILE MD 1.800 . 3.700 2.313 2.252 2.374 . 0 0 "[ . 1 . 2]" 1
755 1 70 ILE HB 1 72 TYR QE 1.800 . 4.700 2.616 2.335 4.100 . 0 0 "[ . 1 . 2]" 1
756 1 70 ILE MD 1 72 TYR QE 1.800 . 5.000 3.440 2.985 5.066 0.066 2 0 "[ . 1 . 2]" 1
757 1 70 ILE MD 1 70 ILE MG 1.800 . 3.090 1.888 1.806 2.068 . 0 0 "[ . 1 . 2]" 1
758 1 70 ILE QG 1 70 ILE MG 1.800 . 3.570 2.290 2.268 2.349 . 0 0 "[ . 1 . 2]" 1
759 1 70 ILE MG 1 71 LEU H 1.800 . 3.750 2.376 2.060 2.811 . 0 0 "[ . 1 . 2]" 1
760 1 70 ILE MG 1 72 TYR QD 1.800 . 4.020 3.220 2.296 3.451 . 0 0 "[ . 1 . 2]" 1
761 1 70 ILE MG 1 72 TYR QE 1.800 . 4.260 2.695 2.197 3.945 . 0 0 "[ . 1 . 2]" 1
762 1 70 ILE MG 1 77 LEU MD1 1.800 . 3.480 2.589 1.838 3.662 0.182 14 0 "[ . 1 . 2]" 1
763 1 70 ILE MG 1 77 LEU MD2 1.800 . 4.750 3.687 2.848 4.681 . 0 0 "[ . 1 . 2]" 1
764 1 70 ILE MG 1 78 ILE H 1.800 . 4.590 4.126 3.562 4.510 . 0 0 "[ . 1 . 2]" 1
765 1 70 ILE MG 1 79 ALA H 1.800 . 4.620 3.994 3.440 4.464 . 0 0 "[ . 1 . 2]" 1
766 1 70 ILE H 1 70 ILE HB 1.800 . 3.940 2.710 2.605 2.912 . 0 0 "[ . 1 . 2]" 1
767 1 70 ILE H 1 70 ILE QG 1.800 . 4.040 2.925 2.790 3.027 . 0 0 "[ . 1 . 2]" 1
768 1 70 ILE H 1 71 LEU H 1.800 . 4.550 4.366 4.100 4.448 . 0 0 "[ . 1 . 2]" 1
769 1 71 LEU HA 1 71 LEU MD1 1.800 . 4.150 3.799 3.746 3.837 . 0 0 "[ . 1 . 2]" 1
770 1 71 LEU HA 1 71 LEU MD2 1.800 . 3.500 2.092 2.066 2.132 . 0 0 "[ . 1 . 2]" 1
771 1 71 LEU HA 1 72 TYR H 1.800 . 3.280 2.165 2.120 2.249 . 0 0 "[ . 1 . 2]" 1
772 1 71 LEU QB 1 78 ILE HB 1.800 . 4.450 2.403 2.130 2.802 . 0 0 "[ . 1 . 2]" 1
773 1 71 LEU QB 1 78 ILE MG 1.800 . 3.770 3.362 2.837 3.855 0.085 11 0 "[ . 1 . 2]" 1
774 1 71 LEU QB 1 79 ALA MB 1.800 . 3.880 3.010 2.346 3.239 . 0 0 "[ . 1 . 2]" 1
775 1 71 LEU QB 1 79 ALA H 1.800 . 4.540 2.437 2.112 2.926 . 0 0 "[ . 1 . 2]" 1
776 1 71 LEU HB3 1 71 LEU MD1 1.800 . 3.840 2.370 2.312 2.419 . 0 0 "[ . 1 . 2]" 1
777 1 71 LEU HB2 1 71 LEU MD1 1.800 . 3.840 2.361 2.301 2.420 . 0 0 "[ . 1 . 2]" 1
778 1 71 LEU MD1 1 78 ILE HB 1.800 . 5.000 3.598 3.136 4.425 . 0 0 "[ . 1 . 2]" 1
779 1 71 LEU MD1 1 79 ALA HA 1.800 . 5.000 4.855 4.625 5.108 0.108 11 0 "[ . 1 . 2]" 1
780 1 71 LEU MD1 1 79 ALA MB 1.800 . 3.800 2.274 2.161 2.467 . 0 0 "[ . 1 . 2]" 1
781 1 71 LEU MD1 1 79 ALA H 1.800 . 4.800 3.803 3.360 4.291 . 0 0 "[ . 1 . 2]" 1
782 1 71 LEU HG 1 79 ALA MB 1.800 . 4.350 3.356 2.835 4.026 . 0 0 "[ . 1 . 2]" 1
783 1 71 LEU HG 1 80 ILE HA 1.800 . 5.440 4.330 3.723 4.795 . 0 0 "[ . 1 . 2]" 1
784 1 71 LEU H 1 71 LEU MD2 1.800 . 4.260 3.329 2.837 3.815 . 0 0 "[ . 1 . 2]" 1
785 1 71 LEU H 1 71 LEU HG 1.800 . 3.860 2.420 2.192 2.700 . 0 0 "[ . 1 . 2]" 1
786 1 71 LEU H 1 77 LEU MD1 1.800 . 5.000 3.934 3.107 5.044 0.044 17 0 "[ . 1 . 2]" 1
787 1 71 LEU H 1 79 ALA MB 1.800 . 4.270 4.018 3.459 4.382 0.112 18 0 "[ . 1 . 2]" 1
788 1 71 LEU H 1 79 ALA H 1.800 . 3.880 3.239 2.866 3.493 . 0 0 "[ . 1 . 2]" 1
789 1 72 TYR HA 1 72 TYR QD 1.800 . 4.100 2.696 2.317 3.699 . 0 0 "[ . 1 . 2]" 1
790 1 72 TYR HA 1 73 TYR H 1.800 . 3.470 2.235 2.174 2.357 . 0 0 "[ . 1 . 2]" 1
791 1 72 TYR HA 1 77 LEU HA 1.800 . 4.100 2.773 2.180 3.641 . 0 0 "[ . 1 . 2]" 1
792 1 72 TYR HA 1 78 ILE HB 1.800 . 4.670 4.262 2.500 4.808 0.138 14 0 "[ . 1 . 2]" 1
793 1 72 TYR HA 1 78 ILE MD 1.800 . 5.470 4.485 3.615 5.133 . 0 0 "[ . 1 . 2]" 1
794 1 72 TYR HA 1 78 ILE QG 1.800 . 4.230 3.111 2.260 4.000 . 0 0 "[ . 1 . 2]" 1
795 1 72 TYR HA 1 78 ILE H 1.800 . 3.990 3.164 1.745 3.750 0.055 2 0 "[ . 1 . 2]" 1
796 1 72 TYR QB 1 73 TYR H 1.800 . 4.480 2.840 2.561 3.214 . 0 0 "[ . 1 . 2]" 1
797 1 72 TYR QB 1 76 GLN H 1.800 . 5.700 4.348 2.469 5.895 0.195 11 0 "[ . 1 . 2]" 1
798 1 72 TYR QD 1 73 TYR H 1.800 . 4.600 3.621 3.244 3.989 . 0 0 "[ . 1 . 2]" 1
799 1 72 TYR QD 1 77 LEU HA 1.800 . 4.250 3.083 2.399 4.362 0.112 1 0 "[ . 1 . 2]" 1
800 1 72 TYR H 1 72 TYR QB 1.800 . 3.580 2.610 2.496 3.253 . 0 0 "[ . 1 . 2]" 1
801 1 72 TYR H 1 72 TYR QD 1.800 . 4.450 3.113 2.560 3.498 . 0 0 "[ . 1 . 2]" 1
802 1 73 TYR HA 1 73 TYR QD 1.800 . 3.560 2.547 2.301 2.721 . 0 0 "[ . 1 . 2]" 1
803 1 73 TYR HA 1 74 GLN H 1.800 . 3.330 2.200 2.105 2.363 . 0 0 "[ . 1 . 2]" 1
804 1 73 TYR HA 1 78 ILE MD 1.800 . 5.260 4.743 4.116 5.046 . 0 0 "[ . 1 . 2]" 1
805 1 73 TYR QB 1 74 GLN H 1.800 . 4.560 3.885 3.289 4.053 . 0 0 "[ . 1 . 2]" 1
806 1 73 TYR QB 1 78 ILE MD 1.800 . 3.800 2.263 2.013 2.717 . 0 0 "[ . 1 . 2]" 1
807 1 73 TYR QB 1 78 ILE QG 1.800 . 4.480 2.237 1.989 3.842 . 0 0 "[ . 1 . 2]" 1
808 1 73 TYR QB 1 78 ILE MG 1.800 . 4.450 3.952 3.703 4.424 . 0 0 "[ . 1 . 2]" 1
809 1 73 TYR QB 1 97 THR MG 1.800 . 5.000 4.448 3.296 5.087 0.087 7 0 "[ . 1 . 2]" 1
810 1 73 TYR QD 1 74 GLN H 1.800 . 4.230 3.757 2.940 4.282 0.052 17 0 "[ . 1 . 2]" 1
811 1 73 TYR QD 1 78 ILE MD 1.800 . 4.460 3.152 2.613 3.803 . 0 0 "[ . 1 . 2]" 1
812 1 73 TYR QD 1 97 THR MG 1.800 . 4.430 3.953 3.264 4.448 0.018 10 0 "[ . 1 . 2]" 1
813 1 73 TYR QE 1 97 THR MG 1.800 . 4.450 4.271 3.719 4.520 0.070 2 0 "[ . 1 . 2]" 1
814 1 73 TYR H 1 76 GLN H 1.800 . 5.000 3.166 2.458 4.647 . 0 0 "[ . 1 . 2]" 1
815 1 73 TYR H 1 78 ILE MD 1.800 . 4.880 3.802 2.839 4.368 . 0 0 "[ . 1 . 2]" 1
816 1 73 TYR H 1 78 ILE QG 1.800 . 4.800 2.975 2.238 3.433 . 0 0 "[ . 1 . 2]" 1
817 1 73 TYR H 1 78 ILE H 1.800 . 5.500 4.434 3.610 4.780 . 0 0 "[ . 1 . 2]" 1
818 1 74 GLN HA 1 74 GLN QG 1.800 . 3.250 2.547 2.264 3.295 0.045 2 0 "[ . 1 . 2]" 1
819 1 74 GLN QB 1 75 LYS H 1.800 . 3.950 2.880 1.783 4.036 0.086 7 0 "[ . 1 . 2]" 1
820 1 74 GLN H 1 74 GLN QG 1.800 . 4.490 3.330 1.766 4.450 0.034 2 0 "[ . 1 . 2]" 1
821 1 74 GLN H 1 75 LYS H 1.800 . 4.100 3.523 2.453 4.346 0.246 11 0 "[ . 1 . 2]" 1
822 1 75 LYS HA 1 75 LYS QD 1.800 . 4.520 3.754 2.150 4.471 . 0 0 "[ . 1 . 2]" 1
823 1 75 LYS HA 1 75 LYS HG3 1.800 . 4.010 2.889 2.313 3.812 . 0 0 "[ . 1 . 2]" 1
824 1 75 LYS HA 1 75 LYS HG2 1.800 . 4.010 2.893 2.382 3.739 . 0 0 "[ . 1 . 2]" 1
825 1 75 LYS QB 1 75 LYS QD 1.800 . 3.320 2.217 2.128 2.316 . 0 0 "[ . 1 . 2]" 1
826 1 75 LYS QB 1 75 LYS QE 1.800 . 4.250 2.821 2.124 3.645 . 0 0 "[ . 1 . 2]" 1
827 1 75 LYS HB3 1 76 GLN H 1.800 . 5.100 3.962 1.821 4.476 . 0 0 "[ . 1 . 2]" 1
828 1 75 LYS HB2 1 76 GLN H 1.800 . 5.100 4.145 1.803 4.684 . 0 0 "[ . 1 . 2]" 1
829 1 75 LYS QE 1 75 LYS HG3 1.800 . 3.830 2.668 2.221 3.539 . 0 0 "[ . 1 . 2]" 1
830 1 75 LYS QE 1 75 LYS HG2 1.800 . 3.830 2.667 2.245 3.465 . 0 0 "[ . 1 . 2]" 1
831 1 75 LYS H 1 75 LYS QG 1.800 . 4.600 3.179 1.868 4.231 . 0 0 "[ . 1 . 2]" 1
832 1 76 GLN HA 1 76 GLN QG 1.800 . 3.680 2.546 2.254 3.309 . 0 0 "[ . 1 . 2]" 1
833 1 76 GLN HA 1 77 LEU H 1.800 . 3.420 2.440 2.118 3.314 . 0 0 "[ . 1 . 2]" 1
834 1 76 GLN QB 1 77 LEU H 1.800 . 4.170 3.016 1.719 3.833 0.081 11 0 "[ . 1 . 2]" 1
835 1 76 GLN QG 1 77 LEU H 1.800 . 4.010 3.030 2.065 4.257 0.247 3 0 "[ . 1 . 2]" 1
836 1 76 GLN QG 1 78 ILE MD 1.800 . 5.600 4.075 2.557 5.759 0.159 13 0 "[ . 1 . 2]" 1
837 1 76 GLN H 1 76 GLN QB 1.800 . 3.360 2.866 2.328 3.355 . 0 0 "[ . 1 . 2]" 1
838 1 76 GLN H 1 76 GLN QG 1.800 . 4.300 3.606 2.457 4.435 0.135 6 0 "[ . 1 . 2]" 1
839 1 77 LEU HA 1 77 LEU MD1 1.800 . 4.000 2.702 2.086 4.038 0.038 19 0 "[ . 1 . 2]" 1
840 1 77 LEU HA 1 77 LEU MD2 1.800 . 4.560 3.782 2.290 4.085 . 0 0 "[ . 1 . 2]" 1
841 1 77 LEU HA 1 78 ILE H 1.800 . 3.450 2.222 2.139 2.412 . 0 0 "[ . 1 . 2]" 1
842 1 77 LEU HA 1 79 ALA H 1.800 . 4.400 4.164 3.823 4.435 0.035 10 0 "[ . 1 . 2]" 1
843 1 77 LEU HB3 1 77 LEU MD1 1.800 . 3.610 3.086 2.223 3.218 . 0 0 "[ . 1 . 2]" 1
844 1 77 LEU HB3 1 77 LEU MD2 1.800 . 3.630 2.313 2.181 3.198 . 0 0 "[ . 1 . 2]" 1
845 1 77 LEU HB2 1 77 LEU MD1 1.800 . 3.610 2.307 2.178 3.211 . 0 0 "[ . 1 . 2]" 1
846 1 77 LEU HB2 1 77 LEU MD2 1.800 . 3.630 2.575 2.343 3.172 . 0 0 "[ . 1 . 2]" 1
847 1 77 LEU MD1 1 78 ILE H 1.800 . 3.480 2.721 1.807 3.668 0.188 14 0 "[ . 1 . 2]" 1
848 1 77 LEU MD1 1 79 ALA H 1.800 . 3.850 3.065 2.377 3.923 0.073 19 0 "[ . 1 . 2]" 1
849 1 77 LEU MD1 1 80 ILE QG 1.800 . 5.000 2.561 2.045 4.517 . 0 0 "[ . 1 . 2]" 1
850 1 77 LEU MD1 1 80 ILE MG 1.800 . 5.000 4.044 1.949 5.020 0.020 20 0 "[ . 1 . 2]" 1
851 1 77 LEU MD1 1 80 ILE H 1.800 . 5.230 4.605 3.841 5.300 0.070 4 0 "[ . 1 . 2]" 1
852 1 77 LEU MD2 1 80 ILE MD 1.800 . 4.300 2.705 1.938 4.320 0.020 4 0 "[ . 1 . 2]" 1
853 1 77 LEU H 1 77 LEU HB3 1.800 . 3.930 2.596 2.417 3.570 . 0 0 "[ . 1 . 2]" 1
854 1 77 LEU H 1 77 LEU HB2 1.800 . 3.930 2.937 2.271 3.627 . 0 0 "[ . 1 . 2]" 1
855 1 77 LEU H 1 77 LEU MD2 1.800 . 4.420 3.555 1.756 4.353 0.044 19 0 "[ . 1 . 2]" 1
856 1 78 ILE HA 1 78 ILE MD 1.800 . 3.290 2.205 2.069 3.757 0.467 13 0 "[ . 1 . 2]" 1
857 1 78 ILE HA 1 78 ILE MG 1.800 . 3.760 2.338 2.280 2.460 . 0 0 "[ . 1 . 2]" 1
858 1 78 ILE HA 1 95 HIS QB 1.800 . 4.160 3.121 2.820 3.709 . 0 0 "[ . 1 . 2]" 1
859 1 78 ILE HB 1 79 ALA H 1.800 . 3.570 2.500 2.203 3.026 . 0 0 "[ . 1 . 2]" 1
860 1 78 ILE MD 1 78 ILE MG 1.800 . 3.130 1.881 1.825 1.950 . 0 0 "[ . 1 . 2]" 1
861 1 78 ILE QG 1 78 ILE MG 1.800 . 3.320 2.301 2.217 2.463 . 0 0 "[ . 1 . 2]" 1
862 1 78 ILE MG 1 79 ALA H 1.800 . 4.140 3.351 3.026 3.790 . 0 0 "[ . 1 . 2]" 1
863 1 78 ILE MG 1 94 LEU MD1 1.800 . 3.760 3.521 3.062 3.872 0.112 9 0 "[ . 1 . 2]" 1
864 1 78 ILE MG 1 95 HIS QB 1.800 . 4.390 4.049 3.585 4.312 . 0 0 "[ . 1 . 2]" 1
865 1 78 ILE H 1 78 ILE HB 1.800 . 3.930 2.516 2.427 2.637 . 0 0 "[ . 1 . 2]" 1
866 1 78 ILE H 1 78 ILE MD 1.800 . 4.510 3.645 3.340 4.073 . 0 0 "[ . 1 . 2]" 1
867 1 78 ILE H 1 78 ILE MG 1.800 . 4.240 3.812 3.748 3.859 . 0 0 "[ . 1 . 2]" 1
868 1 78 ILE H 1 79 ALA H 1.800 . 3.540 2.202 1.955 2.458 . 0 0 "[ . 1 . 2]" 1
869 1 79 ALA HA 1 80 ILE H 1.800 . 3.470 2.328 2.186 2.412 . 0 0 "[ . 1 . 2]" 1
870 1 79 ALA HA 1 94 LEU HA 1.800 . 3.830 2.659 2.329 3.048 . 0 0 "[ . 1 . 2]" 1
871 1 79 ALA HA 1 94 LEU QB 1.800 . 5.280 4.620 4.125 5.094 . 0 0 "[ . 1 . 2]" 1
872 1 79 ALA HA 1 94 LEU MD1 1.800 . 4.540 3.292 2.439 4.224 . 0 0 "[ . 1 . 2]" 1
873 1 79 ALA MB 1 80 ILE H 1.800 . 3.660 2.574 2.421 2.802 . 0 0 "[ . 1 . 2]" 1
874 1 79 ALA MB 1 91 PHE QD 1.800 . 3.690 3.392 2.761 3.723 0.033 3 0 "[ . 1 . 2]" 1
875 1 79 ALA MB 1 94 LEU HA 1.800 . 3.870 2.615 2.199 3.152 . 0 0 "[ . 1 . 2]" 1
876 1 79 ALA MB 1 94 LEU MD1 1.800 . 3.280 1.991 1.890 2.720 . 0 0 "[ . 1 . 2]" 1
877 1 79 ALA MB 1 94 LEU MD2 1.800 . 4.530 3.918 1.986 4.365 . 0 0 "[ . 1 . 2]" 1
878 1 80 ILE HA 1 80 ILE MD 1.800 . 4.480 3.877 3.814 4.148 . 0 0 "[ . 1 . 2]" 1
879 1 80 ILE HA 1 80 ILE MG 1.800 . 3.500 2.335 2.297 2.400 . 0 0 "[ . 1 . 2]" 1
880 1 80 ILE HA 1 81 GLY H 1.800 . 3.280 2.240 2.171 2.363 . 0 0 "[ . 1 . 2]" 1
881 1 80 ILE HB 1 80 ILE MD 1.800 . 3.500 2.326 2.243 2.381 . 0 0 "[ . 1 . 2]" 1
882 1 80 ILE HB 1 92 LEU QB 1.800 . 4.740 3.491 2.523 4.910 0.170 6 0 "[ . 1 . 2]" 1
883 1 80 ILE HB 1 93 TYR QB 1.800 . 5.030 2.739 2.284 4.829 . 0 0 "[ . 1 . 2]" 1
884 1 80 ILE MD 1 92 LEU QD 1.800 . 5.000 3.896 2.572 4.839 . 0 0 "[ . 1 . 2]" 1
885 1 80 ILE MD 1 93 TYR HA 1.800 . 4.980 4.859 4.050 5.031 0.051 17 0 "[ . 1 . 2]" 1
886 1 80 ILE MD 1 93 TYR HB3 1.800 . 4.060 2.299 2.081 2.505 . 0 0 "[ . 1 . 2]" 1
887 1 80 ILE MD 1 93 TYR HB2 1.800 . 4.060 3.113 2.299 3.434 . 0 0 "[ . 1 . 2]" 1
888 1 80 ILE MD 1 108 LEU MD1 1.800 . 5.000 3.881 2.654 4.795 . 0 0 "[ . 1 . 2]" 1
889 1 80 ILE QG 1 81 GLY H 1.800 . 4.690 4.033 3.556 4.176 . 0 0 "[ . 1 . 2]" 1
890 1 80 ILE QG 1 92 LEU QD 1.800 . 5.340 4.824 3.463 5.504 0.164 4 0 "[ . 1 . 2]" 1
891 1 80 ILE QG 1 93 TYR H 1.800 . 4.740 4.333 1.779 4.890 0.150 6 0 "[ . 1 . 2]" 1
892 1 80 ILE MD 1 80 ILE MG 1.800 . 3.210 1.869 1.801 1.977 . 0 0 "[ . 1 . 2]" 1
893 1 80 ILE MG 1 81 GLY H 1.800 . 4.800 2.630 2.204 4.011 . 0 0 "[ . 1 . 2]" 1
894 1 80 ILE MG 1 92 LEU QD 1.800 . 5.000 3.032 1.895 5.068 0.068 11 0 "[ . 1 . 2]" 1
895 1 80 ILE MG 1 93 TYR QB 1.800 . 6.000 3.689 3.268 4.035 . 0 0 "[ . 1 . 2]" 1
896 1 80 ILE MG 1 108 LEU MD1 1.800 . 5.500 5.161 4.265 5.612 0.112 13 0 "[ . 1 . 2]" 1
897 1 80 ILE H 1 80 ILE MD 1.800 . 4.220 3.983 3.812 4.085 . 0 0 "[ . 1 . 2]" 1
898 1 80 ILE H 1 80 ILE QG 1.800 . 4.160 2.812 2.087 3.025 . 0 0 "[ . 1 . 2]" 1
899 1 80 ILE H 1 80 ILE MG 1.800 . 4.320 3.745 2.807 3.890 . 0 0 "[ . 1 . 2]" 1
900 1 80 ILE H 1 91 PHE QD 1.800 . 5.200 3.915 3.006 4.606 . 0 0 "[ . 1 . 2]" 1
901 1 80 ILE H 1 93 TYR QB 1.800 . 4.500 3.466 2.768 4.101 . 0 0 "[ . 1 . 2]" 1
902 1 80 ILE H 1 93 TYR H 1.800 . 4.080 3.323 2.911 3.909 . 0 0 "[ . 1 . 2]" 1
903 1 81 GLY QA 1 82 PHE H 1.800 . 3.520 2.263 2.164 2.330 . 0 0 "[ . 1 . 2]" 1
904 1 81 GLY QA 1 91 PHE QD 1.800 . 5.000 3.104 2.359 4.483 . 0 0 "[ . 1 . 2]" 1
905 1 81 GLY QA 1 92 LEU QD 1.800 . 5.000 3.449 2.034 5.054 0.054 12 0 "[ . 1 . 2]" 1
906 1 81 GLY QA 1 92 LEU H 1.800 . 5.000 2.893 2.319 3.932 . 0 0 "[ . 1 . 2]" 1
907 1 81 GLY HA3 1 91 PHE HA 1.800 . 4.240 2.920 2.331 4.285 0.045 7 0 "[ . 1 . 2]" 1
908 1 81 GLY HA2 1 91 PHE HA 1.800 . 4.240 2.733 2.351 3.322 . 0 0 "[ . 1 . 2]" 1
909 1 82 PHE HB3 1 83 ILE H 1.800 . 4.400 3.893 3.089 4.201 . 0 0 "[ . 1 . 2]" 1
910 1 82 PHE HB2 1 83 ILE H 1.800 . 4.400 2.842 2.519 4.423 0.023 7 0 "[ . 1 . 2]" 1
911 1 82 PHE QD 1 83 ILE H 1.800 . 4.420 3.522 3.131 4.486 0.066 12 0 "[ . 1 . 2]" 1
912 1 82 PHE H 1 82 PHE QD 1.800 . 3.900 2.807 2.423 3.031 . 0 0 "[ . 1 . 2]" 1
913 1 82 PHE H 1 90 ASP QB 1.800 . 4.370 3.259 2.404 3.861 . 0 0 "[ . 1 . 2]" 1
914 1 82 PHE H 1 90 ASP H 1.800 . 3.820 3.147 2.762 3.689 . 0 0 "[ . 1 . 2]" 1
915 1 83 ILE HA 1 83 ILE MD 1.800 . 3.940 3.822 3.702 3.857 . 0 0 "[ . 1 . 2]" 1
916 1 83 ILE HA 1 83 ILE MG 1.800 . 3.470 2.316 2.278 2.363 . 0 0 "[ . 1 . 2]" 1
917 1 83 ILE HA 1 89 MET HA 1.800 . 5.000 2.758 2.268 3.443 . 0 0 "[ . 1 . 2]" 1
918 1 83 ILE HB 1 83 ILE MD 1.800 . 3.400 2.337 2.263 2.467 . 0 0 "[ . 1 . 2]" 1
919 1 83 ILE MD 1 87 HIS HA 1.800 . 4.830 4.571 4.066 4.884 0.054 11 0 "[ . 1 . 2]" 1
920 1 83 ILE MD 1 89 MET ME 1.800 . 3.680 3.019 2.068 3.732 0.052 17 0 "[ . 1 . 2]" 1
921 1 83 ILE MD 1 89 MET HG3 1.800 . 4.870 4.446 3.219 4.997 0.127 14 0 "[ . 1 . 2]" 1
922 1 83 ILE MD 1 89 MET HG2 1.800 . 4.870 4.043 3.279 4.956 0.086 13 0 "[ . 1 . 2]" 1
923 1 83 ILE QG 1 89 MET ME 1.800 . 3.840 2.951 2.249 3.840 0.000 20 0 "[ . 1 . 2]" 1
924 1 83 ILE MD 1 83 ILE MG 1.800 . 3.090 1.874 1.810 1.974 . 0 0 "[ . 1 . 2]" 1
925 1 83 ILE MG 1 84 ASP H 1.800 . 3.420 2.767 2.640 2.969 . 0 0 "[ . 1 . 2]" 1
926 1 83 ILE MG 1 87 HIS HA 1.800 . 3.130 2.493 2.034 3.210 0.080 13 0 "[ . 1 . 2]" 1
927 1 83 ILE MG 1 87 HIS QB 1.800 . 4.600 3.910 3.276 4.488 . 0 0 "[ . 1 . 2]" 1
928 1 83 ILE MG 1 87 HIS H 1.800 . 4.650 3.261 1.836 3.714 . 0 0 "[ . 1 . 2]" 1
929 1 83 ILE MG 1 88 ASP H 1.800 . 5.000 3.959 2.176 4.804 . 0 0 "[ . 1 . 2]" 1
930 1 83 ILE MG 1 89 MET HA 1.800 . 4.540 3.738 2.872 4.079 . 0 0 "[ . 1 . 2]" 1
931 1 83 ILE H 1 83 ILE HB 1.800 . 4.080 2.539 2.429 2.719 . 0 0 "[ . 1 . 2]" 1
932 1 83 ILE H 1 83 ILE MD 1.800 . 4.000 3.689 3.543 3.908 . 0 0 "[ . 1 . 2]" 1
933 1 83 ILE H 1 83 ILE QG 1.800 . 4.100 2.441 2.188 2.730 . 0 0 "[ . 1 . 2]" 1
934 1 83 ILE H 1 83 ILE MG 1.800 . 4.660 3.815 3.775 3.861 . 0 0 "[ . 1 . 2]" 1
935 1 84 ASP QB 1 85 GLU H 1.800 . 3.690 2.730 1.952 3.841 0.151 11 0 "[ . 1 . 2]" 1
936 1 85 GLU HA 1 85 GLU QG 1.800 . 3.550 2.548 2.258 3.314 . 0 0 "[ . 1 . 2]" 1
937 1 85 GLU QB 1 86 ASN H 1.800 . 4.600 2.673 1.712 3.933 0.088 16 0 "[ . 1 . 2]" 1
938 1 85 GLU H 1 85 GLU QB 1.800 . 3.720 2.673 2.193 3.330 . 0 0 "[ . 1 . 2]" 1
939 1 85 GLU H 1 85 GLU QG 1.800 . 4.740 3.116 1.956 4.444 . 0 0 "[ . 1 . 2]" 1
940 1 85 GLU H 1 86 ASN H 1.800 . 4.400 3.426 2.601 4.631 0.231 19 0 "[ . 1 . 2]" 1
941 1 86 ASN HB3 1 87 HIS H 1.800 . 5.430 4.112 3.302 4.528 . 0 0 "[ . 1 . 2]" 1
942 1 86 ASN HB2 1 87 HIS H 1.800 . 5.430 4.060 2.923 4.606 . 0 0 "[ . 1 . 2]" 1
943 1 86 ASN H 1 86 ASN QB 1.800 . 3.330 2.617 2.297 3.412 0.082 7 0 "[ . 1 . 2]" 1
944 1 86 ASN H 1 87 HIS H 1.800 . 3.530 2.506 1.714 3.015 0.086 4 0 "[ . 1 . 2]" 1
945 1 87 HIS H 1 88 ASP H 1.800 . 4.480 3.556 2.376 4.614 0.134 2 0 "[ . 1 . 2]" 1
946 1 88 ASP HA 1 89 MET H 1.800 . 3.170 2.258 2.126 2.806 . 0 0 "[ . 1 . 2]" 1
947 1 88 ASP QB 1 89 MET H 1.800 . 4.450 3.721 2.927 4.020 . 0 0 "[ . 1 . 2]" 1
948 1 88 ASP H 1 88 ASP QB 1.800 . 3.180 2.725 2.259 3.285 0.105 14 0 "[ . 1 . 2]" 1
949 1 88 ASP H 1 89 MET H 1.800 . 4.700 3.951 2.707 4.634 . 0 0 "[ . 1 . 2]" 1
950 1 89 MET HA 1 89 MET ME 1.800 . 5.280 4.020 2.941 4.521 . 0 0 "[ . 1 . 2]" 1
951 1 89 MET HA 1 89 MET HG3 1.800 . 4.160 2.988 2.327 3.747 . 0 0 "[ . 1 . 2]" 1
952 1 89 MET HA 1 89 MET HG2 1.800 . 4.160 2.837 2.378 3.683 . 0 0 "[ . 1 . 2]" 1
953 1 89 MET HA 1 90 ASP H 1.800 . 3.460 2.180 2.111 2.274 . 0 0 "[ . 1 . 2]" 1
954 1 89 MET QB 1 89 MET ME 1.800 . 4.000 2.850 2.101 3.622 . 0 0 "[ . 1 . 2]" 1
955 1 89 MET ME 1 89 MET QG 1.800 . 2.980 2.189 2.147 2.234 . 0 0 "[ . 1 . 2]" 1
956 1 89 MET H 1 89 MET QB 1.800 . 3.410 2.403 2.279 2.622 . 0 0 "[ . 1 . 2]" 1
957 1 89 MET H 1 89 MET QG 1.800 . 4.050 2.643 2.150 4.067 0.017 19 0 "[ . 1 . 2]" 1
958 1 90 ASP HA 1 91 PHE H 1.800 . 3.160 2.185 2.131 2.262 . 0 0 "[ . 1 . 2]" 1
959 1 90 ASP QB 1 91 PHE H 1.800 . 4.160 3.553 2.934 3.950 . 0 0 "[ . 1 . 2]" 1
960 1 90 ASP H 1 90 ASP QB 1.800 . 3.550 2.398 2.241 2.659 . 0 0 "[ . 1 . 2]" 1
961 1 91 PHE HA 1 91 PHE QD 1.800 . 4.220 2.679 2.336 2.893 . 0 0 "[ . 1 . 2]" 1
962 1 91 PHE QB 1 92 LEU H 1.800 . 4.540 3.282 2.957 3.645 . 0 0 "[ . 1 . 2]" 1
963 1 91 PHE QB 1 93 TYR H 1.800 . 4.430 3.490 3.042 4.386 . 0 0 "[ . 1 . 2]" 1
964 1 91 PHE QB 1 102 LEU QD 1.800 . 5.000 3.174 2.144 4.182 . 0 0 "[ . 1 . 2]" 1
965 1 91 PHE QD 1 94 LEU MD2 1.800 . 5.000 4.232 2.184 4.775 . 0 0 "[ . 1 . 2]" 1
966 1 91 PHE QD 1 102 LEU MD1 1.800 . 5.000 4.704 3.754 5.100 0.100 17 0 "[ . 1 . 2]" 1
967 1 91 PHE QE 1 94 LEU MD1 1.800 . 5.000 4.299 3.204 5.097 0.097 15 0 "[ . 1 . 2]" 1
968 1 91 PHE H 1 91 PHE QB 1.800 . 3.600 2.435 2.320 2.538 . 0 0 "[ . 1 . 2]" 1
969 1 91 PHE H 1 91 PHE QD 1.800 . 3.670 2.685 2.350 3.117 . 0 0 "[ . 1 . 2]" 1
970 1 92 LEU HA 1 92 LEU MD1 1.800 . 4.250 3.093 2.033 4.154 . 0 0 "[ . 1 . 2]" 1
971 1 92 LEU HA 1 92 LEU MD2 1.800 . 4.250 2.831 2.112 4.105 . 0 0 "[ . 1 . 2]" 1
972 1 92 LEU HA 1 92 LEU HG 1.800 . 4.040 3.175 2.366 3.718 . 0 0 "[ . 1 . 2]" 1
973 1 92 LEU QB 1 92 LEU MD1 1.800 . 3.410 2.175 2.088 2.337 . 0 0 "[ . 1 . 2]" 1
974 1 92 LEU QB 1 92 LEU MD2 1.800 . 3.410 2.198 2.087 2.311 . 0 0 "[ . 1 . 2]" 1
975 1 92 LEU QB 1 93 TYR H 1.800 . 3.890 2.798 1.938 3.684 . 0 0 "[ . 1 . 2]" 1
976 1 92 LEU QD 1 107 LEU QB 1.800 . 5.300 3.255 1.950 4.219 . 0 0 "[ . 1 . 2]" 1
977 1 92 LEU QD 1 107 LEU MD2 1.800 . 5.000 3.266 2.102 4.970 . 0 0 "[ . 1 . 2]" 1
978 1 92 LEU QD 1 108 LEU HG 1.800 . 4.710 3.777 2.289 4.835 0.125 11 0 "[ . 1 . 2]" 1
979 1 92 LEU H 1 92 LEU MD1 1.800 . 4.600 3.633 1.762 4.367 0.038 6 0 "[ . 1 . 2]" 1
980 1 92 LEU H 1 92 LEU MD2 1.800 . 4.600 3.301 1.731 4.427 0.069 16 0 "[ . 1 . 2]" 1
981 1 92 LEU H 1 93 TYR H 1.800 . 4.000 2.191 1.849 2.648 . 0 0 "[ . 1 . 2]" 1
982 1 93 TYR HA 1 93 TYR HD1 1.800 . 4.910 2.665 2.440 2.896 . 0 0 "[ . 1 . 2]" 1
983 1 93 TYR HA 1 93 TYR HD2 1.800 . 4.910 4.190 3.912 4.425 . 0 0 "[ . 1 . 2]" 1
984 1 93 TYR HA 1 94 LEU H 1.800 . 3.290 2.172 2.121 2.236 . 0 0 "[ . 1 . 2]" 1
985 1 93 TYR HA 1 103 ASP HA 1.800 . 4.100 3.023 2.307 3.908 . 0 0 "[ . 1 . 2]" 1
986 1 93 TYR QD 1 103 ASP HA 1.800 . 5.000 3.050 2.324 3.666 . 0 0 "[ . 1 . 2]" 1
987 1 93 TYR QE 1 103 ASP HA 1.800 . 5.000 3.797 2.625 5.017 0.017 10 0 "[ . 1 . 2]" 1
988 1 94 LEU HA 1 94 LEU MD1 1.800 . 3.250 2.104 2.055 2.288 . 0 0 "[ . 1 . 2]" 1
989 1 94 LEU HA 1 94 LEU MD2 1.800 . 4.390 3.711 2.111 3.824 . 0 0 "[ . 1 . 2]" 1
990 1 94 LEU HA 1 95 HIS H 1.800 . 3.440 2.161 2.106 2.214 . 0 0 "[ . 1 . 2]" 1
991 1 94 LEU QB 1 101 LEU MD1 1.800 . 4.740 4.429 3.565 4.826 0.086 17 0 "[ . 1 . 2]" 1
992 1 94 LEU QB 1 102 LEU QB 1.800 . 5.000 2.666 2.183 4.375 . 0 0 "[ . 1 . 2]" 1
993 1 94 LEU QB 1 102 LEU H 1.800 . 5.010 2.677 1.949 3.619 . 0 0 "[ . 1 . 2]" 1
994 1 94 LEU HB3 1 94 LEU MD1 1.800 . 4.050 3.168 2.374 3.218 . 0 0 "[ . 1 . 2]" 1
995 1 94 LEU HB3 1 94 LEU MD2 1.800 . 3.830 2.397 2.254 3.211 . 0 0 "[ . 1 . 2]" 1
996 1 94 LEU HB3 1 95 HIS H 1.800 . 4.800 4.259 4.131 4.472 . 0 0 "[ . 1 . 2]" 1
997 1 94 LEU HB2 1 94 LEU MD1 1.800 . 4.050 2.376 2.250 3.208 . 0 0 "[ . 1 . 2]" 1
998 1 94 LEU HB2 1 94 LEU MD2 1.800 . 3.830 2.363 2.241 2.588 . 0 0 "[ . 1 . 2]" 1
999 1 94 LEU HB2 1 95 HIS H 1.800 . 4.800 4.321 4.226 4.507 . 0 0 "[ . 1 . 2]" 1
1000 1 94 LEU MD1 1 95 HIS H 1.800 . 4.330 2.291 1.930 3.387 . 0 0 "[ . 1 . 2]" 1
1001 1 94 LEU MD2 1 101 LEU QB 1.800 . 4.310 2.467 2.033 4.324 0.014 15 0 "[ . 1 . 2]" 1
1002 1 94 LEU MD2 1 101 LEU MD1 1.800 . 4.200 2.416 2.043 3.814 . 0 0 "[ . 1 . 2]" 1
1003 1 94 LEU MD2 1 102 LEU MD1 1.800 . 5.000 3.710 2.514 4.849 . 0 0 "[ . 1 . 2]" 1
1004 1 94 LEU HG 1 95 HIS H 1.800 . 4.990 3.304 2.690 4.807 . 0 0 "[ . 1 . 2]" 1
1005 1 94 LEU H 1 94 LEU HB3 1.800 . 3.790 2.621 2.475 2.951 . 0 0 "[ . 1 . 2]" 1
1006 1 94 LEU H 1 94 LEU HB2 1.800 . 3.790 3.055 2.816 3.334 . 0 0 "[ . 1 . 2]" 1
1007 1 94 LEU H 1 102 LEU QB 1.800 . 5.300 3.567 2.416 5.322 0.022 7 0 "[ . 1 . 2]" 1
1008 1 94 LEU H 1 102 LEU H 1.800 . 4.800 4.273 3.111 4.804 0.004 3 0 "[ . 1 . 2]" 1
1009 1 95 HIS HA 1 96 ASN H 1.800 . 3.520 2.169 2.130 2.209 . 0 0 "[ . 1 . 2]" 1
1010 1 95 HIS HA 1 100 PRO HA 1.800 . 3.500 2.474 2.261 3.031 . 0 0 "[ . 1 . 2]" 1
1011 1 95 HIS HA 1 100 PRO QB 1.800 . 4.600 2.608 2.273 4.060 . 0 0 "[ . 1 . 2]" 1
1012 1 95 HIS HA 1 101 LEU H 1.800 . 4.700 3.760 2.225 4.363 . 0 0 "[ . 1 . 2]" 1
1013 1 95 HIS HD2 1 100 PRO QG 1.800 . 5.300 4.002 2.606 5.352 0.052 13 0 "[ . 1 . 2]" 1
1014 1 95 HIS HE1 1 97 THR HA 1.800 . 5.000 3.911 2.837 5.087 0.087 10 0 "[ . 1 . 2]" 1
1015 1 95 HIS HE1 1 98 VAL HA 1.800 . 5.000 4.557 2.316 5.186 0.186 16 0 "[ . 1 . 2]" 1
1016 1 96 ASN QB 1 101 LEU MD1 1.800 . 4.540 3.824 2.255 4.575 0.035 9 0 "[ . 1 . 2]" 1
1017 1 96 ASN HB3 1 101 LEU MD2 1.800 . 5.150 4.746 3.277 5.251 0.101 15 0 "[ . 1 . 2]" 1
1018 1 96 ASN HB2 1 101 LEU MD2 1.800 . 5.150 4.318 3.781 5.199 0.049 17 0 "[ . 1 . 2]" 1
1019 1 96 ASN H 1 97 THR H 1.800 . 4.740 4.497 4.117 4.621 . 0 0 "[ . 1 . 2]" 1
1020 1 96 ASN H 1 98 VAL H 1.800 . 5.500 4.912 4.171 5.587 0.087 14 0 "[ . 1 . 2]" 1
1021 1 96 ASN H 1 99 MET H 1.800 . 5.000 4.077 3.071 5.063 0.063 4 0 "[ . 1 . 2]" 1
1022 1 96 ASN H 1 100 PRO HA 1.800 . 4.210 2.297 1.758 3.645 0.042 4 0 "[ . 1 . 2]" 1
1023 1 96 ASN H 1 101 LEU MD1 1.800 . 5.500 5.060 3.075 5.565 0.065 9 0 "[ . 1 . 2]" 1
1024 1 96 ASN H 1 101 LEU HG 1.800 . 4.620 4.156 2.304 4.633 0.013 9 0 "[ . 1 . 2]" 1
1025 1 97 THR HA 1 97 THR MG 1.800 . 3.570 2.335 2.261 2.436 . 0 0 "[ . 1 . 2]" 1
1026 1 97 THR H 1 97 THR MG 1.800 . 4.030 2.266 1.864 3.759 . 0 0 "[ . 1 . 2]" 1
1027 1 97 THR H 1 98 VAL H 1.800 . 4.300 3.082 2.597 4.373 0.073 19 0 "[ . 1 . 2]" 1
1028 1 98 VAL HA 1 98 VAL MG1 1.800 . 3.230 2.578 2.224 3.228 . 0 0 "[ . 1 . 2]" 1
1029 1 98 VAL HA 1 98 VAL MG2 1.800 . 3.140 2.389 2.221 3.158 0.018 7 0 "[ . 1 . 2]" 1
1030 1 98 VAL MG1 1 99 MET ME 1.800 . 4.270 3.991 2.658 4.388 0.118 10 0 "[ . 1 . 2]" 1
1031 1 98 VAL MG1 1 99 MET H 1.800 . 4.670 3.281 1.806 4.126 . 0 0 "[ . 1 . 2]" 1
1032 1 98 VAL MG2 1 99 MET H 1.800 . 4.140 3.776 1.762 4.343 0.203 15 0 "[ . 1 . 2]" 1
1033 1 98 VAL H 1 98 VAL HB 1.800 . 3.780 2.946 2.413 3.697 . 0 0 "[ . 1 . 2]" 1
1034 1 98 VAL H 1 98 VAL MG1 1.800 . 4.100 3.316 1.750 4.008 0.050 2 0 "[ . 1 . 2]" 1
1035 1 98 VAL H 1 98 VAL MG2 1.800 . 3.860 2.851 1.764 4.064 0.204 9 0 "[ . 1 . 2]" 1
1036 1 98 VAL H 1 99 MET H 1.800 . 3.250 2.724 2.125 3.408 0.158 17 0 "[ . 1 . 2]" 1
1037 1 99 MET HA 1 100 PRO HD3 1.800 . 3.680 2.525 2.125 3.373 . 0 0 "[ . 1 . 2]" 1
1038 1 99 MET HA 1 100 PRO HD2 1.800 . 3.680 2.388 2.143 2.735 . 0 0 "[ . 1 . 2]" 1
1039 1 99 MET ME 1 101 LEU MD2 1.800 . 4.020 3.254 2.112 4.151 0.131 10 0 "[ . 1 . 2]" 1
1040 1 99 MET QG 1 101 LEU MD2 1.800 . 4.090 2.888 2.030 4.097 0.007 14 0 "[ . 1 . 2]" 1
1041 1 99 MET H 1 99 MET QG 1.800 . 4.400 2.953 1.853 4.407 0.007 15 0 "[ . 1 . 2]" 1
1042 1 100 PRO HA 1 102 LEU H 1.800 . 4.880 4.341 3.364 4.954 0.074 12 0 "[ . 1 . 2]" 1
1043 1 101 LEU HA 1 101 LEU HG 1.800 . 4.190 3.162 3.015 3.299 . 0 0 "[ . 1 . 2]" 1
1044 1 101 LEU QB 1 101 LEU MD2 1.800 . 3.280 2.252 2.224 2.304 . 0 0 "[ . 1 . 2]" 1
1045 1 101 LEU QB 1 102 LEU H 1.800 . 3.820 2.298 1.761 3.220 0.039 4 0 "[ . 1 . 2]" 1
1046 1 101 LEU HB3 1 101 LEU MD1 1.800 . 3.440 2.378 2.292 2.439 . 0 0 "[ . 1 . 2]" 1
1047 1 101 LEU HB2 1 101 LEU MD1 1.800 . 3.440 2.343 2.271 2.450 . 0 0 "[ . 1 . 2]" 1
1048 1 101 LEU HG 1 102 LEU H 1.800 . 4.900 3.977 3.732 4.386 . 0 0 "[ . 1 . 2]" 1
1049 1 101 LEU H 1 101 LEU HG 1.800 . 4.310 2.356 2.055 2.724 . 0 0 "[ . 1 . 2]" 1
1050 1 101 LEU H 1 102 LEU H 1.800 . 3.440 2.406 2.005 2.757 . 0 0 "[ . 1 . 2]" 1
1051 1 102 LEU HA 1 102 LEU MD1 1.800 . 3.900 3.435 2.151 3.835 . 0 0 "[ . 1 . 2]" 1
1052 1 102 LEU HA 1 102 LEU MD2 1.800 . 3.900 2.728 2.103 4.018 0.118 18 0 "[ . 1 . 2]" 1
1053 1 102 LEU HA 1 102 LEU HG 1.800 . 3.610 2.962 2.265 3.623 0.013 9 0 "[ . 1 . 2]" 1
1054 1 102 LEU HA 1 103 ASP H 1.800 . 3.500 2.677 2.120 3.551 0.051 6 0 "[ . 1 . 2]" 1
1055 1 102 LEU QB 1 102 LEU MD2 1.800 . 3.860 2.195 2.102 2.275 . 0 0 "[ . 1 . 2]" 1
1056 1 102 LEU HB3 1 102 LEU MD1 1.800 . 3.800 2.629 2.346 3.213 . 0 0 "[ . 1 . 2]" 1
1057 1 102 LEU HB3 1 103 ASP H 1.800 . 4.770 3.256 1.748 4.267 0.052 3 0 "[ . 1 . 2]" 1
1058 1 102 LEU HB2 1 102 LEU MD1 1.800 . 3.800 2.331 2.195 3.207 . 0 0 "[ . 1 . 2]" 1
1059 1 102 LEU HB2 1 103 ASP H 1.800 . 4.770 3.537 1.777 4.537 0.023 14 0 "[ . 1 . 2]" 1
1060 1 102 LEU H 1 102 LEU QB 1.800 . 3.740 2.593 2.251 3.362 . 0 0 "[ . 1 . 2]" 1
1061 1 102 LEU H 1 102 LEU MD1 1.800 . 4.600 4.064 3.566 4.803 0.203 10 0 "[ . 1 . 2]" 1
1062 1 102 LEU H 1 103 ASP H 1.800 . 4.450 3.765 2.576 4.466 0.016 11 0 "[ . 1 . 2]" 1
1063 1 103 ASP HA 1 104 GLN H 1.800 . 3.500 2.401 2.204 2.899 . 0 0 "[ . 1 . 2]" 1
1064 1 104 GLN HA 1 104 GLN QG 1.800 . 3.530 2.424 2.284 2.882 . 0 0 "[ . 1 . 2]" 1
1065 1 104 GLN HA 1 106 TYR QD 1.800 . 5.000 3.730 3.456 3.988 . 0 0 "[ . 1 . 2]" 1
1066 1 104 GLN HA 1 106 TYR QE 1.800 . 5.700 4.603 3.186 5.395 . 0 0 "[ . 1 . 2]" 1
1067 1 104 GLN QB 1 107 LEU MD1 1.800 . 4.450 3.628 2.195 4.572 0.122 18 0 "[ . 1 . 2]" 1
1068 1 104 GLN QG 1 106 TYR QE 1.800 . 5.000 4.579 2.321 5.061 0.061 2 0 "[ . 1 . 2]" 1
1069 1 104 GLN H 1 104 GLN QG 1.800 . 4.240 2.789 2.222 4.043 . 0 0 "[ . 1 . 2]" 1
1070 1 104 GLN H 1 105 ARG H 1.800 . 4.600 4.330 4.217 4.460 . 0 0 "[ . 1 . 2]" 1
1071 1 105 ARG HA 1 108 LEU MD1 1.800 . 4.790 3.525 2.299 4.917 0.127 6 0 "[ . 1 . 2]" 1
1072 1 105 ARG HA 1 108 LEU HG 1.800 . 5.000 4.548 3.442 5.082 0.082 15 0 "[ . 1 . 2]" 1
1073 1 105 ARG HA 1 108 LEU H 1.800 . 4.410 3.297 3.128 3.434 . 0 0 "[ . 1 . 2]" 1
1074 1 105 ARG QB 1 108 LEU QB 1.800 . 5.000 4.037 3.615 4.428 . 0 0 "[ . 1 . 2]" 1
1075 1 105 ARG H 1 105 ARG QB 1.800 . 3.540 2.373 2.254 2.541 . 0 0 "[ . 1 . 2]" 1
1076 1 105 ARG H 1 106 TYR H 1.800 . 4.260 2.581 2.444 2.676 . 0 0 "[ . 1 . 2]" 1
1077 1 106 TYR HA 1 106 TYR QD 1.800 . 4.230 2.920 2.704 3.709 . 0 0 "[ . 1 . 2]" 1
1078 1 106 TYR H 1 106 TYR QB 1.800 . 3.660 2.542 2.219 2.717 . 0 0 "[ . 1 . 2]" 1
1079 1 106 TYR H 1 106 TYR QD 1.800 . 3.740 2.230 2.004 2.557 . 0 0 "[ . 1 . 2]" 1
1080 1 106 TYR H 1 107 LEU H 1.800 . 4.230 2.792 2.697 2.978 . 0 0 "[ . 1 . 2]" 1
1081 1 107 LEU HA 1 107 LEU MD1 1.800 . 4.300 2.573 2.081 3.852 . 0 0 "[ . 1 . 2]" 1
1082 1 107 LEU HA 1 107 LEU MD2 1.800 . 4.300 3.155 2.094 3.829 . 0 0 "[ . 1 . 2]" 1
1083 1 107 LEU QB 1 107 LEU MD2 1.800 . 3.370 2.160 2.092 2.324 . 0 0 "[ . 1 . 2]" 1
1084 1 107 LEU HB3 1 107 LEU MD1 1.800 . 3.680 2.882 2.234 3.216 . 0 0 "[ . 1 . 2]" 1
1085 1 107 LEU HB2 1 107 LEU MD1 1.800 . 3.680 2.446 2.242 3.219 . 0 0 "[ . 1 . 2]" 1
1086 1 107 LEU H 1 107 LEU MD1 1.800 . 4.400 3.681 1.824 4.197 . 0 0 "[ . 1 . 2]" 1
1087 1 107 LEU H 1 107 LEU MD2 1.800 . 4.400 3.691 1.788 4.334 0.012 9 0 "[ . 1 . 2]" 1
1088 1 107 LEU H 1 107 LEU HG 1.800 . 4.700 3.746 1.920 4.593 . 0 0 "[ . 1 . 2]" 1
1089 1 107 LEU H 1 108 LEU H 1.800 . 3.740 2.645 2.537 2.727 . 0 0 "[ . 1 . 2]" 1
1090 1 108 LEU HA 1 108 LEU MD1 1.800 . 4.390 3.474 2.298 3.824 . 0 0 "[ . 1 . 2]" 1
1091 1 108 LEU HA 1 108 LEU MD2 1.800 . 3.120 2.308 2.111 2.605 . 0 0 "[ . 1 . 2]" 1
1092 1 108 LEU HA 1 108 LEU HG 1.800 . 4.110 2.775 2.323 3.631 . 0 0 "[ . 1 . 2]" 1
1093 1 108 LEU QB 1 108 LEU MD1 1.800 . 3.300 2.141 2.078 2.313 . 0 0 "[ . 1 . 2]" 1
1094 1 108 LEU QB 1 108 LEU MD2 1.800 . 3.550 2.233 2.173 2.301 . 0 0 "[ . 1 . 2]" 1
1095 1 108 LEU H 1 108 LEU QB 1.800 . 3.860 2.232 2.149 2.481 . 0 0 "[ . 1 . 2]" 1
1096 1 108 LEU H 1 108 LEU MD1 1.800 . 4.900 4.013 3.332 4.264 . 0 0 "[ . 1 . 2]" 1
1097 1 108 LEU H 1 108 LEU MD2 1.800 . 4.900 3.894 3.333 4.240 . 0 0 "[ . 1 . 2]" 1
1098 1 108 LEU H 1 109 THR H 1.800 . 3.820 2.698 2.458 2.911 . 0 0 "[ . 1 . 2]" 1
1099 1 109 THR HA 1 109 THR MG 1.800 . 3.090 2.465 2.214 3.195 0.105 9 0 "[ . 1 . 2]" 1
1100 1 109 THR MG 1 110 GLY H 1.800 . 4.430 3.912 2.757 4.303 . 0 0 "[ . 1 . 2]" 1
1101 1 109 THR H 1 109 THR MG 1.800 . 3.910 2.932 1.765 3.846 0.035 18 0 "[ . 1 . 2]" 1
1102 1 109 THR H 1 110 GLY H 1.800 . 3.750 2.324 1.858 2.910 . 0 0 "[ . 1 . 2]" 1
1103 1 110 GLY H 1 111 GLY H 1.800 . 4.700 3.946 2.478 4.680 . 0 0 "[ . 1 . 2]" 1
1104 1 112 GLN HA 1 112 GLN QG 1.800 . 3.650 2.664 2.275 3.457 . 0 0 "[ . 1 . 2]" 1
1105 1 112 GLN HA 1 113 LEU H 1.800 . 3.480 2.452 2.158 3.547 0.067 7 0 "[ . 1 . 2]" 1
1106 1 112 GLN QB 1 113 LEU H 1.800 . 4.200 3.106 1.860 4.054 . 0 0 "[ . 1 . 2]" 1
1107 1 112 GLN QG 1 113 LEU H 1.800 . 4.490 3.706 2.616 4.594 0.104 17 0 "[ . 1 . 2]" 1
1108 1 112 GLN H 1 112 GLN QB 1.800 . 3.700 2.576 2.271 3.229 . 0 0 "[ . 1 . 2]" 1
1109 1 112 GLN H 1 112 GLN QG 1.800 . 4.600 2.773 1.810 4.137 . 0 0 "[ . 1 . 2]" 1
1110 1 113 LEU HA 1 113 LEU QD 1.800 . 3.230 2.394 1.987 3.282 0.052 5 0 "[ . 1 . 2]" 1
1111 1 113 LEU HA 1 113 LEU MD1 1.800 . 4.500 2.990 2.075 4.161 . 0 0 "[ . 1 . 2]" 1
1112 1 113 LEU HA 1 113 LEU MD2 1.800 . 4.500 3.243 2.095 4.118 . 0 0 "[ . 1 . 2]" 1
1113 1 113 LEU HA 1 113 LEU HG 1.800 . 3.800 3.101 2.348 3.698 . 0 0 "[ . 1 . 2]" 1
1114 1 113 LEU HA 1 114 GLU H 1.800 . 3.710 2.505 2.155 3.546 . 0 0 "[ . 1 . 2]" 1
1115 1 113 LEU HB3 1 114 GLU H 1.800 . 4.420 3.787 2.546 4.519 0.099 3 0 "[ . 1 . 2]" 1
1116 1 113 LEU HB2 1 114 GLU H 1.800 . 4.420 3.993 2.972 4.460 0.040 13 0 "[ . 1 . 2]" 1
1117 1 113 LEU HG 1 114 GLU H 1.800 . 5.200 4.031 2.671 5.220 0.020 1 0 "[ . 1 . 2]" 1
1118 1 113 LEU H 1 113 LEU HB3 1.800 . 4.130 3.160 2.420 4.069 . 0 0 "[ . 1 . 2]" 1
1119 1 113 LEU H 1 113 LEU HB2 1.800 . 4.130 2.768 2.269 3.637 . 0 0 "[ . 1 . 2]" 1
1120 1 113 LEU H 1 113 LEU HG 1.800 . 4.650 3.335 1.797 4.448 0.003 3 0 "[ . 1 . 2]" 1
1121 1 114 GLU HA 1 114 GLU HG3 1.800 . 4.400 2.995 2.334 3.740 . 0 0 "[ . 1 . 2]" 1
1122 1 114 GLU HA 1 114 GLU HG2 1.800 . 4.400 3.132 2.417 4.253 . 0 0 "[ . 1 . 2]" 1
1123 1 114 GLU H 1 114 GLU QB 1.800 . 3.310 2.528 2.260 3.268 . 0 0 "[ . 1 . 2]" 1
1124 1 114 GLU H 1 114 GLU QG 1.800 . 4.550 3.053 1.831 4.140 . 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 84
_Distance_constraint_stats_list.Viol_count 411
_Distance_constraint_stats_list.Viol_total 506.269
_Distance_constraint_stats_list.Viol_max 0.257
_Distance_constraint_stats_list.Viol_rms 0.0354
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0151
_Distance_constraint_stats_list.Viol_average_violations_only 0.0616
_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 2 THR 0.198 0.112 7 0 "[ . 1 . 2]"
1 3 LEU 0.271 0.066 12 0 "[ . 1 . 2]"
1 4 GLU 0.169 0.042 13 0 "[ . 1 . 2]"
1 5 LEU 0.035 0.028 2 0 "[ . 1 . 2]"
1 6 GLN 0.251 0.112 7 0 "[ . 1 . 2]"
1 7 LEU 0.297 0.066 12 0 "[ . 1 . 2]"
1 8 LYS 0.188 0.042 13 0 "[ . 1 . 2]"
1 9 HIS 0.050 0.028 2 0 "[ . 1 . 2]"
1 10 TYR 0.101 0.040 14 0 "[ . 1 . 2]"
1 11 ILE 0.054 0.028 4 0 "[ . 1 . 2]"
1 12 THR 0.042 0.022 17 0 "[ . 1 . 2]"
1 13 ASN 0.014 0.014 16 0 "[ . 1 . 2]"
1 14 LEU 0.049 0.040 14 0 "[ . 1 . 2]"
1 15 PHE 0.028 0.028 4 0 "[ . 1 . 2]"
1 17 LEU 0.022 0.022 17 0 "[ . 1 . 2]"
1 24 GLU 1.507 0.139 8 0 "[ . 1 . 2]"
1 26 GLU 1.818 0.163 11 0 "[ . 1 . 2]"
1 28 ILE 0.089 0.053 1 0 "[ . 1 . 2]"
1 30 GLU 3.224 0.146 4 0 "[ . 1 . 2]"
1 32 ALA 0.746 0.099 5 0 "[ . 1 . 2]"
1 44 GLY 0.800 0.181 13 0 "[ . 1 . 2]"
1 47 SER 0.800 0.181 13 0 "[ . 1 . 2]"
1 49 LYS 0.746 0.099 5 0 "[ . 1 . 2]"
1 51 LEU 3.224 0.146 4 0 "[ . 1 . 2]"
1 52 GLN 1.844 0.181 9 0 "[ . 1 . 2]"
1 53 THR 0.089 0.053 1 0 "[ . 1 . 2]"
1 54 ASN 0.937 0.136 15 0 "[ . 1 . 2]"
1 55 THR 1.818 0.163 11 0 "[ . 1 . 2]"
1 56 TYR 1.086 0.242 11 0 "[ . 1 . 2]"
1 57 TYR 1.507 0.139 8 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASP 0.343 0.094 14 0 "[ . 1 . 2]"
1 60 THR 0.006 0.006 12 0 "[ . 1 . 2]"
1 62 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.343 0.094 14 0 "[ . 1 . 2]"
1 64 SER 0.006 0.006 12 0 "[ . 1 . 2]"
1 67 TYR 2.392 0.149 8 0 "[ . 1 . 2]"
1 68 PRO 1.086 0.242 11 0 "[ . 1 . 2]"
1 69 PHE 4.362 0.257 10 0 "[ . 1 . 2]"
1 70 ILE 0.937 0.136 15 0 "[ . 1 . 2]"
1 71 LEU 0.769 0.094 13 0 "[ . 1 . 2]"
1 72 TYR 1.844 0.181 9 0 "[ . 1 . 2]"
1 73 TYR 0.762 0.148 11 0 "[ . 1 . 2]"
1 76 GLN 0.762 0.148 11 0 "[ . 1 . 2]"
1 78 ILE 0.807 0.094 13 0 "[ . 1 . 2]"
1 79 ALA 0.103 0.045 14 0 "[ . 1 . 2]"
1 80 ILE 0.259 0.128 11 0 "[ . 1 . 2]"
1 81 GLY 4.362 0.257 10 0 "[ . 1 . 2]"
1 82 PHE 1.476 0.147 8 0 "[ . 1 . 2]"
1 83 ILE 2.392 0.149 8 0 "[ . 1 . 2]"
1 84 ASP 0.531 0.230 7 0 "[ . 1 . 2]"
1 87 HIS 0.531 0.230 7 0 "[ . 1 . 2]"
1 90 ASP 1.476 0.147 8 0 "[ . 1 . 2]"
1 93 TYR 0.259 0.128 11 0 "[ . 1 . 2]"
1 95 HIS 0.140 0.035 17 0 "[ . 1 . 2]"
1 104 GLN 1.195 0.134 11 0 "[ . 1 . 2]"
1 105 ARG 0.140 0.057 5 0 "[ . 1 . 2]"
1 108 LEU 1.195 0.134 11 0 "[ . 1 . 2]"
1 109 THR 0.140 0.057 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 2 THR O 1 6 GLN H 1.700 . 2.300 2.122 1.809 2.412 0.112 7 0 "[ . 1 . 2]" 2
2 1 2 THR O 1 6 GLN N 2.700 2.700 3.300 3.057 2.736 3.346 0.046 7 0 "[ . 1 . 2]" 2
3 1 3 LEU O 1 7 LEU H 1.700 . 2.300 1.938 1.755 2.332 0.032 8 0 "[ . 1 . 2]" 2
4 1 3 LEU O 1 7 LEU N 2.700 2.700 3.300 2.849 2.634 3.252 0.066 12 0 "[ . 1 . 2]" 2
5 1 4 GLU O 1 8 LYS H 1.700 . 2.300 2.190 1.812 2.342 0.042 13 0 "[ . 1 . 2]" 2
6 1 4 GLU O 1 8 LYS N 2.700 2.700 3.300 3.134 2.734 3.285 . 0 0 "[ . 1 . 2]" 2
7 1 5 LEU O 1 9 HIS H 1.700 . 2.300 2.130 1.906 2.328 0.028 2 0 "[ . 1 . 2]" 2
8 1 5 LEU O 1 9 HIS N 2.700 2.700 3.300 3.071 2.840 3.280 . 0 0 "[ . 1 . 2]" 2
9 1 6 GLN O 1 10 TYR H 1.700 . 2.300 1.878 1.722 2.192 . 0 0 "[ . 1 . 2]" 2
10 1 6 GLN O 1 10 TYR N 2.700 2.700 3.300 2.816 2.673 3.129 0.027 3 0 "[ . 1 . 2]" 2
11 1 7 LEU O 1 11 ILE H 1.700 . 2.300 2.000 1.800 2.325 0.025 13 0 "[ . 1 . 2]" 2
12 1 7 LEU O 1 11 ILE N 2.700 2.700 3.300 2.969 2.759 3.285 . 0 0 "[ . 1 . 2]" 2
13 1 8 LYS O 1 12 THR H 1.700 . 2.300 2.020 1.746 2.282 . 0 0 "[ . 1 . 2]" 2
14 1 8 LYS O 1 12 THR N 2.700 2.700 3.300 2.950 2.680 3.248 0.020 18 0 "[ . 1 . 2]" 2
15 1 9 HIS O 1 13 ASN H 1.700 . 2.300 1.936 1.769 2.237 . 0 0 "[ . 1 . 2]" 2
16 1 9 HIS O 1 13 ASN N 2.700 2.700 3.300 2.868 2.686 3.211 0.014 16 0 "[ . 1 . 2]" 2
17 1 10 TYR O 1 14 LEU H 1.700 . 2.300 2.024 1.811 2.340 0.040 14 0 "[ . 1 . 2]" 2
18 1 10 TYR O 1 14 LEU N 2.700 2.700 3.300 2.937 2.700 3.309 0.009 14 0 "[ . 1 . 2]" 2
19 1 11 ILE O 1 15 PHE H 1.700 . 2.300 2.111 1.928 2.328 0.028 4 0 "[ . 1 . 2]" 2
20 1 11 ILE O 1 15 PHE N 2.700 2.700 3.300 3.058 2.874 3.289 . 0 0 "[ . 1 . 2]" 2
21 1 12 THR O 1 17 LEU H 1.700 . 2.300 1.987 1.868 2.195 . 0 0 "[ . 1 . 2]" 2
22 1 12 THR O 1 17 LEU N 2.700 2.700 3.300 2.783 2.678 2.938 0.022 17 0 "[ . 1 . 2]" 2
23 1 24 GLU H 1 57 TYR O 1.700 . 2.300 2.324 2.077 2.439 0.139 8 0 "[ . 1 . 2]" 2
24 1 24 GLU N 1 57 TYR O 2.700 2.700 3.300 3.217 2.971 3.341 0.041 14 0 "[ . 1 . 2]" 2
25 1 26 GLU H 1 55 THR O 1.700 . 2.300 2.257 1.805 2.372 0.072 5 0 "[ . 1 . 2]" 2
26 1 26 GLU N 1 55 THR O 2.700 2.700 3.300 3.025 2.729 3.172 . 0 0 "[ . 1 . 2]" 2
27 1 30 GLU H 1 51 LEU O 1.700 . 2.300 2.386 2.330 2.446 0.146 4 0 "[ . 1 . 2]" 2
28 1 30 GLU N 1 51 LEU O 2.700 2.700 3.300 3.352 3.294 3.411 0.111 4 0 "[ . 1 . 2]" 2
29 1 32 ALA H 1 49 LYS O 1.700 . 2.300 2.244 1.822 2.399 0.099 5 0 "[ . 1 . 2]" 2
30 1 32 ALA N 1 49 LYS O 2.700 2.700 3.300 3.201 2.802 3.353 0.053 5 0 "[ . 1 . 2]" 2
31 1 44 GLY O 1 47 SER H 1.700 . 2.300 2.119 1.778 2.481 0.181 13 0 "[ . 1 . 2]" 2
32 1 44 GLY O 1 47 SER N 2.700 2.700 3.300 2.966 2.603 3.320 0.097 16 0 "[ . 1 . 2]" 2
33 1 30 GLU O 1 51 LEU H 1.700 . 2.300 2.282 2.116 2.368 0.068 19 0 "[ . 1 . 2]" 2
34 1 30 GLU O 1 51 LEU N 2.700 2.700 3.300 3.158 2.935 3.279 . 0 0 "[ . 1 . 2]" 2
35 1 52 GLN H 1 72 TYR O 1.700 . 2.300 2.381 2.162 2.481 0.181 9 0 "[ . 1 . 2]" 2
36 1 52 GLN N 1 72 TYR O 2.700 2.700 3.300 3.209 2.835 3.327 0.027 9 0 "[ . 1 . 2]" 2
37 1 28 ILE O 1 53 THR H 1.700 . 2.300 2.100 1.768 2.353 0.053 1 0 "[ . 1 . 2]" 2
38 1 28 ILE O 1 53 THR N 2.700 2.700 3.300 2.916 2.702 3.260 . 0 0 "[ . 1 . 2]" 2
39 1 54 ASN H 1 70 ILE O 1.700 . 2.300 2.164 1.933 2.436 0.136 15 0 "[ . 1 . 2]" 2
40 1 54 ASN N 1 70 ILE O 2.700 2.700 3.300 3.033 2.881 3.182 . 0 0 "[ . 1 . 2]" 2
41 1 26 GLU O 1 55 THR H 1.700 . 2.300 2.336 2.078 2.463 0.163 11 0 "[ . 1 . 2]" 2
42 1 26 GLU O 1 55 THR N 2.700 2.700 3.300 3.153 2.920 3.389 0.089 14 0 "[ . 1 . 2]" 2
43 1 56 TYR H 1 68 PRO O 1.700 . 2.300 2.217 1.926 2.542 0.242 11 0 "[ . 1 . 2]" 2
44 1 56 TYR N 1 68 PRO O 2.700 2.700 3.300 3.164 2.886 3.446 0.146 11 0 "[ . 1 . 2]" 2
45 1 24 GLU O 1 57 TYR H 1.700 . 2.300 2.179 1.805 2.410 0.110 20 0 "[ . 1 . 2]" 2
46 1 24 GLU O 1 57 TYR N 2.700 2.700 3.300 3.117 2.770 3.330 0.030 20 0 "[ . 1 . 2]" 2
47 1 58 SER O 1 62 HIS H 1.700 . 2.300 1.968 1.792 2.281 . 0 0 "[ . 1 . 2]" 2
48 1 58 SER O 1 62 HIS N 2.700 2.700 3.300 2.895 2.718 3.214 . 0 0 "[ . 1 . 2]" 2
49 1 59 ASP O 1 63 LYS H 1.700 . 2.300 2.212 1.900 2.394 0.094 14 0 "[ . 1 . 2]" 2
50 1 59 ASP O 1 63 LYS N 2.700 2.700 3.300 3.140 2.832 3.356 0.056 14 0 "[ . 1 . 2]" 2
51 1 60 THR O 1 64 SER H 1.700 . 2.300 2.076 1.838 2.306 0.006 12 0 "[ . 1 . 2]" 2
52 1 60 THR O 1 64 SER N 2.700 2.700 3.300 3.008 2.783 3.240 . 0 0 "[ . 1 . 2]" 2
53 1 67 TYR H 1 83 ILE O 1.700 . 2.300 2.317 2.066 2.449 0.149 8 0 "[ . 1 . 2]" 2
54 1 67 TYR N 1 83 ILE O 2.700 2.700 3.300 3.241 3.017 3.364 0.064 15 0 "[ . 1 . 2]" 2
55 1 69 PHE H 1 81 GLY O 1.700 . 2.300 2.142 1.884 2.432 0.132 7 0 "[ . 1 . 2]" 2
56 1 69 PHE N 1 81 GLY O 2.700 2.700 3.300 3.057 2.672 3.360 0.060 7 0 "[ . 1 . 2]" 2
57 1 54 ASN O 1 70 ILE H 1.700 . 2.300 2.293 2.082 2.395 0.095 15 0 "[ . 1 . 2]" 2
58 1 54 ASN O 1 70 ILE N 2.700 2.700 3.300 3.191 3.042 3.346 0.046 14 0 "[ . 1 . 2]" 2
59 1 71 LEU H 1 79 ALA O 1.700 . 2.300 2.179 1.790 2.345 0.045 14 0 "[ . 1 . 2]" 2
60 1 71 LEU N 1 79 ALA O 2.700 2.700 3.300 3.134 2.687 3.326 0.026 14 0 "[ . 1 . 2]" 2
61 1 52 GLN O 1 72 TYR H 1.700 . 2.300 2.132 1.990 2.315 0.015 2 0 "[ . 1 . 2]" 2
62 1 52 GLN O 1 72 TYR N 2.700 2.700 3.300 3.066 2.946 3.248 . 0 0 "[ . 1 . 2]" 2
63 1 73 TYR H 1 76 GLN O 1.700 . 2.300 2.179 1.815 2.448 0.148 11 0 "[ . 1 . 2]" 2
64 1 73 TYR N 1 76 GLN O 2.700 2.700 3.300 3.092 2.757 3.428 0.128 11 0 "[ . 1 . 2]" 2
65 1 71 LEU O 1 78 ILE H 1.700 . 2.300 2.193 1.769 2.394 0.094 13 0 "[ . 1 . 2]" 2
66 1 71 LEU O 1 78 ILE N 2.700 2.700 3.300 3.136 2.725 3.357 0.057 3 0 "[ . 1 . 2]" 2
67 1 80 ILE H 1 93 TYR O 1.700 . 2.300 2.009 1.773 2.428 0.128 11 0 "[ . 1 . 2]" 2
68 1 80 ILE N 1 93 TYR O 2.700 2.700 3.300 2.906 2.668 3.307 0.032 3 0 "[ . 1 . 2]" 2
69 1 69 PHE O 1 81 GLY H 1.700 . 2.300 2.395 1.841 2.557 0.257 10 0 "[ . 1 . 2]" 2
70 1 69 PHE O 1 81 GLY N 2.700 2.700 3.300 3.338 2.789 3.539 0.239 10 0 "[ . 1 . 2]" 2
71 1 82 PHE H 1 90 ASP O 1.700 . 2.300 2.321 2.049 2.447 0.147 8 0 "[ . 1 . 2]" 2
72 1 82 PHE N 1 90 ASP O 2.700 2.700 3.300 3.202 2.982 3.315 0.015 17 0 "[ . 1 . 2]" 2
73 1 67 TYR O 1 83 ILE H 1.700 . 2.300 2.289 1.919 2.414 0.114 2 0 "[ . 1 . 2]" 2
74 1 67 TYR O 1 83 ILE N 2.700 2.700 3.300 3.229 2.829 3.353 0.053 2 0 "[ . 1 . 2]" 2
75 1 84 ASP O 1 87 HIS H 1.700 . 2.300 2.192 1.825 2.530 0.230 7 0 "[ . 1 . 2]" 2
76 1 84 ASP O 1 87 HIS N 2.700 2.700 3.300 2.944 2.751 3.148 . 0 0 "[ . 1 . 2]" 2
77 1 82 PHE O 1 90 ASP H 1.700 . 2.300 2.228 2.029 2.380 0.080 14 0 "[ . 1 . 2]" 2
78 1 82 PHE O 1 90 ASP N 2.700 2.700 3.300 3.147 2.839 3.336 0.036 4 0 "[ . 1 . 2]" 2
79 1 78 ILE O 1 95 HIS H 1.700 . 2.300 2.056 1.832 2.335 0.035 17 0 "[ . 1 . 2]" 2
80 1 78 ILE O 1 95 HIS N 2.700 2.700 3.300 2.865 2.671 3.201 0.029 8 0 "[ . 1 . 2]" 2
81 1 104 GLN O 1 108 LEU H 1.700 . 2.300 2.341 2.248 2.434 0.134 11 0 "[ . 1 . 2]" 2
82 1 104 GLN O 1 108 LEU N 2.700 2.700 3.300 3.268 3.084 3.363 0.063 14 0 "[ . 1 . 2]" 2
83 1 105 ARG O 1 109 THR H 1.700 . 2.300 1.956 1.720 2.229 . 0 0 "[ . 1 . 2]" 2
84 1 105 ARG O 1 109 THR N 2.700 2.700 3.300 2.812 2.643 3.096 0.057 5 0 "[ . 1 . 2]" 2
stop_
save_
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