NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
534741 |
2lpx   |
18281 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lpx
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 1252
_Distance_constraint_stats_list.Viol_count 703
_Distance_constraint_stats_list.Viol_total 998.637
_Distance_constraint_stats_list.Viol_max 0.926
_Distance_constraint_stats_list.Viol_rms 0.0313
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0710
_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 GLY 3.594 0.839 20 4 "[** . -1 . +]"
1 3 VAL 15.752 0.926 11 12 "[** *. **-*+ **.* *]"
1 4 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.191 0.096 13 0 "[ . 1 . 2]"
1 6 TYR 0.031 0.010 17 0 "[ . 1 . 2]"
1 7 GLU 0.009 0.004 10 0 "[ . 1 . 2]"
1 8 ASN 0.005 0.004 13 0 "[ . 1 . 2]"
1 9 GLU 0.000 0.000 1 0 "[ . 1 . 2]"
1 10 PHE 0.510 0.251 15 0 "[ . 1 . 2]"
1 11 THR 0.002 0.002 10 0 "[ . 1 . 2]"
1 12 SER 2.116 0.893 3 2 "[ + . 1 -. 2]"
1 13 ASP 0.023 0.023 17 0 "[ . 1 . 2]"
1 14 ILE 1.221 0.202 5 0 "[ . 1 . 2]"
1 15 PRO 1.162 0.202 5 0 "[ . 1 . 2]"
1 16 ALA 0.054 0.016 4 0 "[ . 1 . 2]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.002 0.002 18 0 "[ . 1 . 2]"
1 19 LEU 1.923 0.893 3 2 "[ + . 1 -. 2]"
1 20 PHE 0.006 0.006 18 0 "[ . 1 . 2]"
1 21 LYS 0.015 0.008 3 0 "[ . 1 . 2]"
1 22 ALA 0.424 0.227 3 0 "[ . 1 . 2]"
1 23 PHE 0.076 0.019 13 0 "[ . 1 . 2]"
1 24 VAL 0.010 0.004 7 0 "[ . 1 . 2]"
1 25 LEU 0.447 0.227 3 0 "[ . 1 . 2]"
1 26 ASP 0.034 0.014 4 0 "[ . 1 . 2]"
1 27 ALA 0.014 0.012 2 0 "[ . 1 . 2]"
1 28 ASP 0.028 0.008 18 0 "[ . 1 . 2]"
1 29 ASN 0.068 0.024 13 0 "[ . 1 . 2]"
1 30 LEU 0.025 0.014 4 0 "[ . 1 . 2]"
1 31 ILE 0.112 0.024 13 0 "[ . 1 . 2]"
1 32 PRO 0.018 0.008 15 0 "[ . 1 . 2]"
1 33 LYS 0.039 0.010 12 0 "[ . 1 . 2]"
1 34 ILE 0.059 0.022 12 0 "[ . 1 . 2]"
1 35 ALA 0.079 0.022 12 0 "[ . 1 . 2]"
1 36 PRO 0.014 0.011 3 0 "[ . 1 . 2]"
1 37 GLN 0.017 0.017 4 0 "[ . 1 . 2]"
1 38 ALA 0.022 0.012 16 0 "[ . 1 . 2]"
1 39 VAL 0.036 0.018 20 0 "[ . 1 . 2]"
1 40 LYS 0.121 0.028 16 0 "[ . 1 . 2]"
1 41 CYS 0.052 0.028 16 0 "[ . 1 . 2]"
1 42 ALA 0.072 0.008 10 0 "[ . 1 . 2]"
1 43 GLU 0.007 0.003 5 0 "[ . 1 . 2]"
1 44 ILE 0.785 0.668 16 1 "[ . 1 .+ 2]"
1 45 LEU 3.118 0.836 8 4 "[ * * + 1 .- 2]"
1 46 GLU 3.207 0.836 8 4 "[ * * + 1 .- 2]"
1 47 GLY 0.065 0.012 16 0 "[ . 1 . 2]"
1 48 ASP 0.791 0.668 16 1 "[ . 1 .+ 2]"
1 49 GLY 0.028 0.007 4 0 "[ . 1 . 2]"
1 50 GLY 0.057 0.008 20 0 "[ . 1 . 2]"
1 51 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 THR 0.011 0.005 18 0 "[ . 1 . 2]"
1 54 ILE 1.634 0.541 12 3 "[ . 1*+ . - 2]"
1 55 LYS 3.167 0.680 18 3 "[ . 1** . + 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ILE 0.104 0.023 15 0 "[ . 1 . 2]"
1 58 THR 0.004 0.004 6 0 "[ . 1 . 2]"
1 59 PHE 1.417 0.422 10 0 "[ . 1 . 2]"
1 60 GLY 0.011 0.005 3 0 "[ . 1 . 2]"
1 66 GLY 1.534 0.422 10 0 "[ . 1 . 2]"
1 67 TYR 0.005 0.004 8 0 "[ . 1 . 2]"
1 68 VAL 0.487 0.065 19 0 "[ . 1 . 2]"
1 69 LYS 0.010 0.008 9 0 "[ . 1 . 2]"
1 70 HIS 0.016 0.009 19 0 "[ . 1 . 2]"
1 71 LYS 1.598 0.680 18 2 "[ . 1- . + 2]"
1 72 ILE 0.089 0.028 7 0 "[ . 1 . 2]"
1 73 HIS 0.021 0.009 4 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.046 0.030 15 0 "[ . 1 . 2]"
1 76 ASP 1.770 0.205 4 0 "[ . 1 . 2]"
1 77 LYS 0.103 0.067 15 0 "[ . 1 . 2]"
1 78 VAL 5.387 0.356 15 0 "[ . 1 . 2]"
1 79 ASN 6.679 0.356 15 0 "[ . 1 . 2]"
1 80 HIS 0.009 0.006 4 0 "[ . 1 . 2]"
1 81 THR 0.326 0.141 18 0 "[ . 1 . 2]"
1 82 TYR 0.671 0.333 19 0 "[ . 1 . 2]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 TYR 2.291 0.570 9 2 "[ . +1 . - 2]"
1 85 SER 0.088 0.028 7 0 "[ . 1 . 2]"
1 86 LEU 0.063 0.018 4 0 "[ . 1 . 2]"
1 87 ILE 0.507 0.170 13 0 "[ . 1 . 2]"
1 88 GLU 0.507 0.170 13 0 "[ . 1 . 2]"
1 89 GLY 0.367 0.065 19 0 "[ . 1 . 2]"
1 90 ASP 0.263 0.187 12 0 "[ . 1 . 2]"
1 91 ALA 0.058 0.026 16 0 "[ . 1 . 2]"
1 92 LEU 0.248 0.038 18 0 "[ . 1 . 2]"
1 93 SER 0.305 0.038 18 0 "[ . 1 . 2]"
1 94 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASN 0.333 0.030 6 0 "[ . 1 . 2]"
1 96 ILE 0.218 0.030 6 0 "[ . 1 . 2]"
1 97 GLU 0.022 0.014 20 0 "[ . 1 . 2]"
1 98 LYS 0.002 0.002 6 0 "[ . 1 . 2]"
1 99 ILE 4.202 0.926 11 3 "[ . -1+ * . 2]"
1 100 ASP 0.029 0.023 4 0 "[ . 1 . 2]"
1 101 TYR 1.818 0.570 9 2 "[ . +1 . - 2]"
1 102 GLU 0.197 0.056 13 0 "[ . 1 . 2]"
1 103 THR 0.029 0.011 5 0 "[ . 1 . 2]"
1 104 LYS 0.447 0.317 16 0 "[ . 1 . 2]"
1 105 LEU 0.009 0.006 18 0 "[ . 1 . 2]"
1 106 VAL 0.612 0.317 16 0 "[ . 1 . 2]"
1 107 SER 1.688 0.773 20 2 "[ . 1 . -+]"
1 108 ALA 0.122 0.030 20 0 "[ . 1 . 2]"
1 109 PRO 0.006 0.006 20 0 "[ . 1 . 2]"
1 110 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 GLY 1.557 0.773 20 2 "[ . 1 . -+]"
1 112 GLY 0.290 0.099 8 0 "[ . 1 . 2]"
1 113 THR 0.264 0.043 4 0 "[ . 1 . 2]"
1 114 ILE 0.181 0.067 20 0 "[ . 1 . 2]"
1 115 ILE 0.625 0.251 15 0 "[ . 1 . 2]"
1 116 LYS 0.005 0.002 2 0 "[ . 1 . 2]"
1 117 THR 0.008 0.004 13 0 "[ . 1 . 2]"
1 118 THR 0.011 0.007 17 0 "[ . 1 . 2]"
1 119 SER 0.016 0.010 17 0 "[ . 1 . 2]"
1 120 LYS 0.126 0.023 4 0 "[ . 1 . 2]"
1 121 TYR 0.392 0.144 7 0 "[ . 1 . 2]"
1 123 THR 0.222 0.083 18 0 "[ . 1 . 2]"
1 124 LYS 0.128 0.083 18 0 "[ . 1 . 2]"
1 125 GLY 0.055 0.032 4 0 "[ . 1 . 2]"
1 126 ASP 0.010 0.008 20 0 "[ . 1 . 2]"
1 127 VAL 0.204 0.029 18 0 "[ . 1 . 2]"
1 128 GLU 3.824 0.528 16 4 "[ . * 1 -.+ * 2]"
1 129 ILE 3.932 0.528 16 4 "[ . * 1 -.+ * 2]"
1 130 LYS 0.104 0.017 18 0 "[ . 1 . 2]"
1 131 GLU 0.040 0.011 8 0 "[ . 1 . 2]"
1 132 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 HIS 0.033 0.008 11 0 "[ . 1 . 2]"
1 134 VAL 0.014 0.003 12 0 "[ . 1 . 2]"
1 135 LYS 0.039 0.010 18 0 "[ . 1 . 2]"
1 136 ALA 0.006 0.003 11 0 "[ . 1 . 2]"
1 137 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 LYS 0.008 0.004 6 0 "[ . 1 . 2]"
1 139 GLU 0.012 0.004 12 0 "[ . 1 . 2]"
1 140 LYS 0.004 0.002 16 0 "[ . 1 . 2]"
1 141 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 HIS 0.006 0.004 12 0 "[ . 1 . 2]"
1 144 LEU 0.025 0.008 10 0 "[ . 1 . 2]"
1 145 PHE 0.100 0.035 18 0 "[ . 1 . 2]"
1 146 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 ILE 0.116 0.022 14 0 "[ . 1 . 2]"
1 149 GLU 0.012 0.012 13 0 "[ . 1 . 2]"
1 150 GLY 1.772 0.430 4 0 "[ . 1 . 2]"
1 151 TYR 1.843 0.430 4 0 "[ . 1 . 2]"
1 152 LEU 0.115 0.022 14 0 "[ . 1 . 2]"
1 153 LYS 0.038 0.016 15 0 "[ . 1 . 2]"
1 154 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 155 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 135 LYS QG 1 139 GLU H 0.000 . 5.000 3.990 3.757 4.303 . 0 0 "[ . 1 . 2]" 1
2 1 99 ILE HA 1 121 TYR QD 0.000 . 5.000 4.495 3.931 5.023 0.023 8 0 "[ . 1 . 2]" 1
3 1 9 GLU HA 1 116 LYS HG2 0.000 . 4.000 2.792 2.328 3.047 . 0 0 "[ . 1 . 2]" 1
4 1 9 GLU HA 1 116 LYS HG3 0.000 . 6.000 4.037 3.735 4.236 . 0 0 "[ . 1 . 2]" 1
5 1 116 LYS HA 1 116 LYS HG2 0.000 . 3.000 2.417 2.370 2.486 . 0 0 "[ . 1 . 2]" 1
6 1 86 LEU H 1 99 ILE HA 0.000 . 5.000 4.550 4.329 4.724 . 0 0 "[ . 1 . 2]" 1
7 1 115 ILE HA 1 116 LYS HG3 0.000 . 6.000 3.929 3.798 4.023 . 0 0 "[ . 1 . 2]" 1
8 1 23 PHE HA 1 30 LEU HG 0.000 . 6.000 5.493 3.912 5.979 . 0 0 "[ . 1 . 2]" 1
9 1 135 LYS QG 1 136 ALA HA 0.000 . 4.000 3.697 3.632 3.793 . 0 0 "[ . 1 . 2]" 1
10 1 146 LYS HA 1 149 GLU HA 0.000 . 6.000 5.830 5.569 6.000 . 0 0 "[ . 1 . 2]" 1
11 1 30 LEU HA 1 34 ILE HG13 0.000 . 6.000 4.318 3.373 5.925 . 0 0 "[ . 1 . 2]" 1
12 1 27 ALA HA 1 30 LEU HG 0.000 . 6.000 4.534 4.207 4.804 . 0 0 "[ . 1 . 2]" 1
13 1 30 LEU HG 1 148 ILE HA 0.000 . 6.000 4.421 3.775 4.991 . 0 0 "[ . 1 . 2]" 1
14 1 26 ASP HB2 1 30 LEU HG 0.000 . 6.000 5.621 4.464 6.014 0.014 4 0 "[ . 1 . 2]" 1
15 1 26 ASP HB3 1 30 LEU HG 0.000 . 6.000 5.643 4.480 5.998 . 0 0 "[ . 1 . 2]" 1
16 1 86 LEU HB3 1 99 ILE HA 0.000 . 5.000 4.896 4.504 5.018 0.018 4 0 "[ . 1 . 2]" 1
17 1 99 ILE HA 1 101 TYR H 0.000 . 6.000 5.931 5.697 6.005 0.005 19 0 "[ . 1 . 2]" 1
18 1 104 LYS HG3 1 106 VAL HA 0.000 . 6.000 5.990 5.868 6.317 0.317 16 0 "[ . 1 . 2]" 1
19 1 14 ILE QG 1 149 GLU HA 0.000 . 6.000 4.057 2.434 4.816 . 0 0 "[ . 1 . 2]" 1
20 1 30 LEU HG 1 31 ILE HG13 0.000 . 6.000 4.954 4.181 5.935 . 0 0 "[ . 1 . 2]" 1
21 1 40 LYS H 1 57 ILE HA 0.000 . 6.000 5.665 5.390 5.998 . 0 0 "[ . 1 . 2]" 1
22 1 106 VAL HA 1 107 SER H 0.000 . 3.000 2.255 2.213 2.308 . 0 0 "[ . 1 . 2]" 1
23 1 22 ALA MB 1 30 LEU HG 0.000 . 6.000 5.148 3.500 5.807 . 0 0 "[ . 1 . 2]" 1
24 1 39 VAL QG 1 57 ILE HA 0.000 . 5.000 3.763 3.270 4.443 . 0 0 "[ . 1 . 2]" 1
25 1 3 VAL HA 1 4 TYR H 0.000 . 3.000 2.239 2.209 2.279 . 0 0 "[ . 1 . 2]" 1
26 1 31 ILE HA 1 34 ILE HG13 0.000 . 5.000 4.096 3.600 4.472 . 0 0 "[ . 1 . 2]" 1
27 1 57 ILE HA 1 58 THR HB 0.000 . 6.000 4.824 4.639 5.708 . 0 0 "[ . 1 . 2]" 1
28 1 11 THR HA 1 115 ILE H 0.000 . 4.000 2.827 2.462 3.145 . 0 0 "[ . 1 . 2]" 1
29 1 34 ILE H 1 34 ILE HG13 0.000 . 4.000 2.263 1.948 3.549 . 0 0 "[ . 1 . 2]" 1
30 1 33 LYS H 1 34 ILE HG13 0.000 . 6.000 4.319 3.971 5.790 . 0 0 "[ . 1 . 2]" 1
31 1 106 VAL HA 1 107 SER QB 0.000 . 5.000 4.280 4.007 4.464 . 0 0 "[ . 1 . 2]" 1
32 1 11 THR HA 1 12 SER H 0.000 . 3.000 2.296 2.210 2.374 . 0 0 "[ . 1 . 2]" 1
33 1 3 VAL HA 1 121 TYR H 0.000 . 6.000 5.298 3.728 6.012 0.012 10 0 "[ . 1 . 2]" 1
34 1 11 THR HA 1 115 ILE MD 0.000 . 4.000 3.838 3.325 3.999 . 0 0 "[ . 1 . 2]" 1
35 1 3 VAL HA 1 123 THR MG 0.000 . 6.000 4.710 3.696 5.990 . 0 0 "[ . 1 . 2]" 1
36 1 11 THR HB 1 114 ILE HA 0.000 . 4.000 3.347 3.040 3.648 . 0 0 "[ . 1 . 2]" 1
37 1 95 ASN QB 1 127 VAL HA 0.000 . 6.000 4.091 2.458 4.913 . 0 0 "[ . 1 . 2]" 1
38 1 103 THR HA 1 117 THR HA 0.000 . 3.000 2.577 2.265 2.880 . 0 0 "[ . 1 . 2]" 1
39 1 86 LEU QD 1 87 ILE HA 0.000 . 6.000 3.792 3.277 4.866 . 0 0 "[ . 1 . 2]" 1
40 1 117 THR HA 1 118 THR H 0.000 . 3.000 2.198 2.182 2.230 . 0 0 "[ . 1 . 2]" 1
41 1 95 ASN HA 1 127 VAL HA 0.000 . 6.000 5.703 4.387 6.029 0.029 18 0 "[ . 1 . 2]" 1
42 1 86 LEU HA 1 86 LEU QD 0.000 . 3.000 2.426 1.834 2.787 . 0 0 "[ . 1 . 2]" 1
43 1 87 ILE HA 1 92 LEU QD 0.000 . 5.000 4.239 3.654 4.823 . 0 0 "[ . 1 . 2]" 1
44 1 86 LEU QD 1 87 ILE H 0.000 . 4.000 2.360 1.957 3.141 . 0 0 "[ . 1 . 2]" 1
45 1 68 VAL HA 1 86 LEU QD 0.000 . 4.000 3.576 3.303 3.783 . 0 0 "[ . 1 . 2]" 1
46 1 71 LYS H 1 86 LEU QD 0.000 . 5.000 4.577 4.031 4.855 . 0 0 "[ . 1 . 2]" 1
47 1 86 LEU QD 1 88 GLU H 0.000 . 4.000 2.663 1.942 3.816 . 0 0 "[ . 1 . 2]" 1
48 1 86 LEU QD 1 99 ILE HG13 0.000 . 5.000 3.563 2.826 3.885 . 0 0 "[ . 1 . 2]" 1
49 1 87 ILE HA 1 88 GLU HG2 0.000 . 5.000 4.776 3.876 5.170 0.170 13 0 "[ . 1 . 2]" 1
50 1 115 ILE HA 1 116 LYS HB3 0.000 . 6.000 5.748 5.717 5.773 . 0 0 "[ . 1 . 2]" 1
51 1 84 TYR QE 1 86 LEU QD 0.000 . 6.000 4.573 4.042 4.805 . 0 0 "[ . 1 . 2]" 1
52 1 127 VAL HA 1 128 GLU HB3 0.000 . 6.000 5.310 4.321 5.851 . 0 0 "[ . 1 . 2]" 1
53 1 123 THR HB 1 127 VAL HA 0.000 . 6.000 5.168 4.341 5.985 . 0 0 "[ . 1 . 2]" 1
54 1 14 ILE QG 1 153 LYS HA 0.000 . 6.000 4.848 3.477 5.280 . 0 0 "[ . 1 . 2]" 1
55 1 34 ILE HA 1 144 LEU QD 0.000 . 6.000 5.299 4.702 5.809 . 0 0 "[ . 1 . 2]" 1
56 1 92 LEU H 1 92 LEU HG 0.000 . 4.000 2.919 1.853 3.859 . 0 0 "[ . 1 . 2]" 1
57 1 7 GLU HA 1 118 THR HA 0.000 . 3.000 2.123 1.930 2.317 . 0 0 "[ . 1 . 2]" 1
58 1 5 THR HA 1 118 THR MG 0.000 . 6.000 3.925 3.724 4.024 . 0 0 "[ . 1 . 2]" 1
59 1 14 ILE QG 1 153 LYS H 0.000 . 6.000 4.582 3.765 5.102 . 0 0 "[ . 1 . 2]" 1
60 1 151 TYR HA 1 154 ASP H 0.000 . 4.000 3.661 3.382 3.878 . 0 0 "[ . 1 . 2]" 1
61 1 118 THR HA 1 119 SER H 0.000 . 3.000 2.262 2.226 2.316 . 0 0 "[ . 1 . 2]" 1
62 1 33 LYS QD 1 34 ILE HA 0.000 . 6.000 5.617 3.314 6.003 0.003 2 0 "[ . 1 . 2]" 1
63 1 72 ILE HA 1 74 SER H 0.000 . 5.000 4.179 3.715 4.300 . 0 0 "[ . 1 . 2]" 1
64 1 151 TYR H 1 152 LEU HG 0.000 . 6.000 5.064 4.290 5.997 . 0 0 "[ . 1 . 2]" 1
65 1 145 PHE HA 1 149 GLU H 0.000 . 5.000 4.446 4.076 4.773 . 0 0 "[ . 1 . 2]" 1
66 1 145 PHE HA 1 145 PHE QD 0.000 . 3.000 2.599 2.022 2.867 . 0 0 "[ . 1 . 2]" 1
67 1 151 TYR HB2 1 152 LEU HG 0.000 . 6.000 4.737 3.184 5.966 . 0 0 "[ . 1 . 2]" 1
68 1 19 LEU HA 1 152 LEU HG 0.000 . 6.000 5.530 4.736 5.982 . 0 0 "[ . 1 . 2]" 1
69 1 14 ILE QG 1 152 LEU HG 0.000 . 6.000 4.639 3.763 5.387 . 0 0 "[ . 1 . 2]" 1
70 1 148 ILE HA 1 152 LEU HG 0.000 . 6.000 4.956 3.489 6.022 0.022 14 0 "[ . 1 . 2]" 1
71 1 151 TYR QD 1 152 LEU HG 0.000 . 6.000 4.019 2.782 6.018 0.018 8 0 "[ . 1 . 2]" 1
72 1 72 ILE HA 1 84 TYR QD 0.000 . 5.000 4.636 4.413 4.764 . 0 0 "[ . 1 . 2]" 1
73 1 149 GLU HA 1 152 LEU HG 0.000 . 6.000 4.491 2.976 5.990 . 0 0 "[ . 1 . 2]" 1
74 1 103 THR HA 1 104 LYS HB3 0.000 . 5.000 4.666 4.619 4.793 . 0 0 "[ . 1 . 2]" 1
75 1 151 TYR HA 1 152 LEU HG 0.000 . 6.000 5.644 5.255 6.004 0.004 16 0 "[ . 1 . 2]" 1
76 1 44 ILE HA 1 46 GLU H 0.000 . 4.000 4.002 3.982 4.014 0.014 16 0 "[ . 1 . 2]" 1
77 1 72 ILE HA 1 84 TYR HA 0.000 . 4.000 2.036 1.919 2.129 . 0 0 "[ . 1 . 2]" 1
78 1 72 ILE HA 1 84 TYR HB3 0.000 . 5.000 3.175 2.679 3.355 . 0 0 "[ . 1 . 2]" 1
79 1 151 TYR HA 1 151 TYR QD 0.000 . 3.000 2.583 1.870 2.950 . 0 0 "[ . 1 . 2]" 1
80 1 81 THR MG 1 103 THR HA 0.000 . 5.000 4.909 4.657 5.002 0.002 9 0 "[ . 1 . 2]" 1
81 1 75 ILE HA 1 82 TYR QD 0.000 . 4.000 3.611 3.476 3.906 . 0 0 "[ . 1 . 2]" 1
82 1 20 PHE HA 1 105 LEU QB 0.000 . 5.000 4.496 4.146 5.006 0.006 18 0 "[ . 1 . 2]" 1
83 1 39 VAL HA 1 59 PHE QB 0.000 . 4.000 3.622 2.122 4.004 0.004 7 0 "[ . 1 . 2]" 1
84 1 39 VAL HA 1 59 PHE QD 0.000 . 5.000 3.092 2.407 4.507 . 0 0 "[ . 1 . 2]" 1
85 1 11 THR HA 1 114 ILE QG 0.000 . 4.000 3.533 3.004 3.841 . 0 0 "[ . 1 . 2]" 1
86 1 39 VAL HA 1 59 PHE HA 0.000 . 4.000 2.252 1.887 2.630 . 0 0 "[ . 1 . 2]" 1
87 1 20 PHE HA 1 24 VAL QG 0.000 . 4.000 3.048 2.499 3.622 . 0 0 "[ . 1 . 2]" 1
88 1 20 PHE HA 1 23 PHE QD 0.000 . 4.000 3.701 3.431 3.946 . 0 0 "[ . 1 . 2]" 1
89 1 113 THR HA 1 114 ILE HB 0.000 . 5.000 4.731 4.706 4.753 . 0 0 "[ . 1 . 2]" 1
90 1 106 VAL HB 1 113 THR HA 0.000 . 6.000 5.634 5.361 5.949 . 0 0 "[ . 1 . 2]" 1
91 1 71 LYS H 1 72 ILE QG 0.000 . 5.000 4.705 4.376 4.854 . 0 0 "[ . 1 . 2]" 1
92 1 108 ALA H 1 113 THR HA 0.000 . 3.000 2.864 2.604 3.030 0.030 20 0 "[ . 1 . 2]" 1
93 1 50 GLY HA2 1 72 ILE QG 0.000 . 6.000 5.869 5.730 5.974 . 0 0 "[ . 1 . 2]" 1
94 1 113 THR HA 1 114 ILE H 0.000 . 3.000 2.198 2.187 2.230 . 0 0 "[ . 1 . 2]" 1
95 1 20 PHE HA 1 105 LEU QD 0.000 . 4.000 2.833 1.953 3.345 . 0 0 "[ . 1 . 2]" 1
96 1 17 PRO HG2 1 18 LYS HD2 0.000 . 6.000 4.899 4.746 5.867 . 0 0 "[ . 1 . 2]" 1
97 1 49 GLY H 1 72 ILE QG 0.000 . 5.000 4.936 4.785 5.007 0.007 4 0 "[ . 1 . 2]" 1
98 1 15 PRO HA 1 16 ALA H 0.000 . 3.000 2.239 2.227 2.260 . 0 0 "[ . 1 . 2]" 1
99 1 107 SER QB 1 113 THR HA 0.000 . 5.000 3.291 2.060 3.745 . 0 0 "[ . 1 . 2]" 1
100 1 74 SER HA 1 75 ILE HG13 0.000 . 6.000 5.303 5.180 5.405 . 0 0 "[ . 1 . 2]" 1
101 1 15 PRO HB2 1 107 SER QB 0.000 . 6.000 4.643 3.951 5.555 . 0 0 "[ . 1 . 2]" 1
102 1 55 LYS QE 1 72 ILE QG 0.000 . 4.000 2.513 1.952 3.957 . 0 0 "[ . 1 . 2]" 1
103 1 72 ILE QG 1 82 TYR QE 0.000 . 5.000 3.333 3.232 3.410 . 0 0 "[ . 1 . 2]" 1
104 1 75 ILE HG13 1 82 TYR QD 0.000 . 6.000 5.099 4.862 5.366 . 0 0 "[ . 1 . 2]" 1
105 1 24 VAL QG 1 75 ILE HG13 0.000 . 6.000 4.942 4.592 5.300 . 0 0 "[ . 1 . 2]" 1
106 1 75 ILE HG13 1 82 TYR QE 0.000 . 6.000 5.623 5.219 5.919 . 0 0 "[ . 1 . 2]" 1
107 1 24 VAL HA 1 27 ALA MB 0.000 . 4.000 2.023 1.834 2.197 . 0 0 "[ . 1 . 2]" 1
108 1 107 SER QB 1 111 GLY H 0.000 . 6.000 5.283 4.846 5.648 . 0 0 "[ . 1 . 2]" 1
109 1 75 ILE HG12 1 82 TYR QE 0.000 . 6.000 5.154 4.906 5.489 . 0 0 "[ . 1 . 2]" 1
110 1 75 ILE HG12 1 82 TYR QD 0.000 . 6.000 5.290 5.054 5.564 . 0 0 "[ . 1 . 2]" 1
111 1 36 PRO HA 1 39 VAL QG 0.000 . 4.000 3.053 2.487 3.463 . 0 0 "[ . 1 . 2]" 1
112 1 15 PRO HD2 1 17 PRO HG2 0.000 . 6.000 5.106 4.993 5.320 . 0 0 "[ . 1 . 2]" 1
113 1 47 GLY HA3 1 53 THR HA 0.000 . 4.000 2.326 2.066 2.688 . 0 0 "[ . 1 . 2]" 1
114 1 40 LYS QE 1 41 CYS QB 0.000 . 5.000 4.247 3.152 5.006 0.006 16 0 "[ . 1 . 2]" 1
115 1 18 LYS HD2 1 19 LEU H 0.000 . 6.000 5.232 4.957 5.337 . 0 0 "[ . 1 . 2]" 1
116 1 105 LEU HG 1 115 ILE HG12 0.000 . 5.000 4.298 2.579 4.980 . 0 0 "[ . 1 . 2]" 1
117 1 53 THR HA 1 54 ILE HB 0.000 . 5.000 4.723 4.675 4.781 . 0 0 "[ . 1 . 2]" 1
118 1 36 PRO HA 1 38 ALA H 0.000 . 5.000 4.083 3.852 4.266 . 0 0 "[ . 1 . 2]" 1
119 1 45 LEU QB 1 53 THR HA 0.000 . 6.000 5.700 5.569 5.869 . 0 0 "[ . 1 . 2]" 1
120 1 33 LYS QD 1 151 TYR QD 0.000 . 6.000 5.275 4.519 6.004 0.004 19 0 "[ . 1 . 2]" 1
121 1 36 PRO HA 1 38 ALA MB 0.000 . 5.000 4.767 4.635 4.958 . 0 0 "[ . 1 . 2]" 1
122 1 146 LYS QD 1 147 LEU QD 0.000 . 6.000 3.760 3.029 5.036 . 0 0 "[ . 1 . 2]" 1
123 1 114 ILE MG 1 115 ILE HG13 0.000 . 6.000 4.422 4.285 4.692 . 0 0 "[ . 1 . 2]" 1
124 1 40 LYS QD 1 41 CYS QB 0.000 . 5.000 4.233 3.792 5.028 0.028 16 0 "[ . 1 . 2]" 1
125 1 135 LYS QD 1 139 GLU QB 0.000 . 6.000 5.573 4.591 5.989 . 0 0 "[ . 1 . 2]" 1
126 1 53 THR HA 1 54 ILE H 0.000 . 3.000 2.265 2.249 2.282 . 0 0 "[ . 1 . 2]" 1
127 1 41 CYS QB 1 57 ILE MG 0.000 . 6.000 5.339 5.104 5.693 . 0 0 "[ . 1 . 2]" 1
128 1 5 THR H 1 120 LYS QD 0.000 . 6.000 4.948 4.587 5.489 . 0 0 "[ . 1 . 2]" 1
129 1 71 LYS QD 1 73 HIS HD2 0.000 . 6.000 5.767 5.245 6.009 0.009 4 0 "[ . 1 . 2]" 1
130 1 71 LYS QD 1 85 SER QB 0.000 . 5.000 4.754 3.959 4.987 . 0 0 "[ . 1 . 2]" 1
131 1 139 GLU QB 1 143 HIS QB 0.000 . 6.000 4.565 3.788 5.005 . 0 0 "[ . 1 . 2]" 1
132 1 32 PRO QG 1 41 CYS QB 0.000 . 6.000 5.397 4.406 6.001 0.001 4 0 "[ . 1 . 2]" 1
133 1 78 VAL HA 1 80 HIS H 0.000 . 4.000 3.743 3.682 3.862 . 0 0 "[ . 1 . 2]" 1
134 1 95 ASN QB 1 124 LYS QG 0.000 . 6.000 4.749 3.430 5.676 . 0 0 "[ . 1 . 2]" 1
135 1 51 PRO HA 1 52 GLY H 0.000 . 3.000 2.202 2.198 2.212 . 0 0 "[ . 1 . 2]" 1
136 1 51 PRO HA 1 75 ILE H 0.000 . 5.000 4.406 4.084 4.672 . 0 0 "[ . 1 . 2]" 1
137 1 51 PRO HA 1 73 HIS HA 0.000 . 5.000 4.184 3.900 4.876 . 0 0 "[ . 1 . 2]" 1
138 1 34 ILE HG13 1 148 ILE HA 0.000 . 6.000 4.933 4.412 5.602 . 0 0 "[ . 1 . 2]" 1
139 1 140 LYS H 1 143 HIS QB 0.000 . 5.000 4.837 4.488 5.002 0.002 16 0 "[ . 1 . 2]" 1
140 1 85 SER QB 1 99 ILE MG 0.000 . 5.000 4.648 4.498 4.908 . 0 0 "[ . 1 . 2]" 1
141 1 85 SER QB 1 99 ILE HA 0.000 . 5.000 4.719 4.355 4.966 . 0 0 "[ . 1 . 2]" 1
142 1 73 HIS HD2 1 85 SER QB 0.000 . 4.000 2.743 2.508 3.388 . 0 0 "[ . 1 . 2]" 1
143 1 85 SER QB 1 101 TYR QD 0.000 . 4.000 3.747 3.592 4.005 0.005 13 0 "[ . 1 . 2]" 1
144 1 85 SER QB 1 87 ILE MD 0.000 . 6.000 5.176 3.631 6.007 0.007 8 0 "[ . 1 . 2]" 1
145 1 17 PRO HA 1 20 PHE QB 0.000 . 3.000 2.437 2.275 2.585 . 0 0 "[ . 1 . 2]" 1
146 1 85 SER QB 1 101 TYR H 0.000 . 4.000 2.828 2.616 3.539 . 0 0 "[ . 1 . 2]" 1
147 1 17 PRO HA 1 21 LYS H 0.000 . 5.000 4.154 3.895 4.344 . 0 0 "[ . 1 . 2]" 1
148 1 16 ALA MB 1 17 PRO HA 0.000 . 4.000 3.779 3.694 3.846 . 0 0 "[ . 1 . 2]" 1
149 1 12 SER HB3 1 113 THR HB 0.000 . 6.000 4.922 3.758 5.406 . 0 0 "[ . 1 . 2]" 1
150 1 32 PRO QB 1 33 LYS QD 0.000 . 6.000 5.613 4.695 6.008 0.008 15 0 "[ . 1 . 2]" 1
151 1 32 PRO QB 1 39 VAL QG 0.000 . 6.000 2.547 2.192 2.976 . 0 0 "[ . 1 . 2]" 1
152 1 17 PRO HA 1 20 PHE H 0.000 . 4.000 3.347 3.274 3.422 . 0 0 "[ . 1 . 2]" 1
153 1 12 SER HB3 1 115 ILE HG12 0.000 . 6.000 5.254 4.191 6.078 0.078 15 0 "[ . 1 . 2]" 1
154 1 36 PRO QB 1 39 VAL QG 0.000 . 5.000 4.400 3.907 4.763 . 0 0 "[ . 1 . 2]" 1
155 1 76 ASP HB2 1 78 VAL HB 0.000 . 6.000 5.695 5.469 6.001 0.001 15 0 "[ . 1 . 2]" 1
156 1 31 ILE HA 1 34 ILE H 0.000 . 6.000 3.963 3.824 4.143 . 0 0 "[ . 1 . 2]" 1
157 1 31 ILE HA 1 34 ILE MD 0.000 . 6.000 3.473 2.628 5.169 . 0 0 "[ . 1 . 2]" 1
158 1 78 VAL HB 1 79 ASN HA 0.000 . 5.000 4.507 3.934 4.567 . 0 0 "[ . 1 . 2]" 1
159 1 76 ASP HB3 1 78 VAL HB 0.000 . 6.000 4.071 3.903 4.394 . 0 0 "[ . 1 . 2]" 1
160 1 77 LYS H 1 78 VAL HB 0.000 . 5.000 4.822 4.744 5.067 0.067 15 0 "[ . 1 . 2]" 1
161 1 36 PRO QB 1 40 LYS HA 0.000 . 6.000 5.699 5.073 6.011 0.011 3 0 "[ . 1 . 2]" 1
162 1 52 GLY QA 1 73 HIS QB 0.000 . 6.000 5.464 5.189 5.678 . 0 0 "[ . 1 . 2]" 1
163 1 143 HIS QB 1 146 LYS QB 0.000 . 6.000 4.536 3.950 4.936 . 0 0 "[ . 1 . 2]" 1
164 1 17 PRO QD 1 18 LYS HB2 0.000 . 6.000 4.619 4.510 4.906 . 0 0 "[ . 1 . 2]" 1
165 1 13 ASP HB2 1 153 LYS QB 0.000 . 6.000 4.666 3.738 5.498 . 0 0 "[ . 1 . 2]" 1
166 1 33 LYS QB 1 34 ILE H 0.000 . 3.000 2.600 2.406 2.739 . 0 0 "[ . 1 . 2]" 1
167 1 5 THR HB 1 7 GLU QB 0.000 . 6.000 5.504 5.187 5.828 . 0 0 "[ . 1 . 2]" 1
168 1 33 LYS QB 1 34 ILE HG12 0.000 . 5.000 4.119 3.165 4.379 . 0 0 "[ . 1 . 2]" 1
169 1 46 GLU HB2 1 53 THR MG 0.000 . 5.000 4.501 4.336 4.569 . 0 0 "[ . 1 . 2]" 1
170 1 46 GLU HB2 1 47 GLY HA3 0.000 . 5.000 4.698 4.626 4.867 . 0 0 "[ . 1 . 2]" 1
171 1 14 ILE MG 1 15 PRO HB3 0.000 . 5.000 4.790 4.481 4.888 . 0 0 "[ . 1 . 2]" 1
172 1 15 PRO HB3 1 16 ALA H 0.000 . 4.000 3.748 3.717 3.767 . 0 0 "[ . 1 . 2]" 1
173 1 37 GLN H 1 37 GLN HG3 0.000 . 4.000 2.471 2.184 3.641 . 0 0 "[ . 1 . 2]" 1
174 1 37 GLN H 1 37 GLN HG2 0.000 . 4.000 3.335 2.158 3.594 . 0 0 "[ . 1 . 2]" 1
175 1 2 GLY HA2 1 3 VAL HB 0.000 . 5.000 4.974 4.388 5.839 0.839 20 4 "[** . -1 . +]" 1
176 1 3 VAL H 1 3 VAL HB 0.000 . 3.000 2.734 2.493 2.999 . 0 0 "[ . 1 . 2]" 1
177 1 40 LYS QB 1 59 PHE H 0.000 . 6.000 5.038 4.161 5.950 . 0 0 "[ . 1 . 2]" 1
178 1 43 GLU QB 1 56 LYS H 0.000 . 4.000 3.745 3.435 3.998 . 0 0 "[ . 1 . 2]" 1
179 1 3 VAL HB 1 120 LYS QG 0.000 . 6.000 4.646 2.997 5.997 . 0 0 "[ . 1 . 2]" 1
180 1 3 VAL HB 1 123 THR H 0.000 . 6.000 4.960 3.769 6.015 0.015 6 0 "[ . 1 . 2]" 1
181 1 95 ASN QB 1 127 VAL HB 0.000 . 6.000 2.530 1.916 4.061 . 0 0 "[ . 1 . 2]" 1
182 1 3 VAL HB 1 123 THR MG 0.000 . 6.000 4.643 3.488 5.992 . 0 0 "[ . 1 . 2]" 1
183 1 105 LEU HA 1 106 VAL HB 0.000 . 5.000 4.705 4.599 4.880 . 0 0 "[ . 1 . 2]" 1
184 1 106 VAL HB 1 114 ILE H 0.000 . 4.000 3.745 3.458 4.067 0.067 20 0 "[ . 1 . 2]" 1
185 1 44 ILE QG 1 53 THR HB 0.000 . 6.000 5.561 5.380 5.760 . 0 0 "[ . 1 . 2]" 1
186 1 53 THR HB 1 72 ILE MD 0.000 . 4.000 1.931 1.795 2.253 . 0 0 "[ . 1 . 2]" 1
187 1 5 THR H 1 5 THR HB 0.000 . 3.000 2.601 2.541 2.666 . 0 0 "[ . 1 . 2]" 1
188 1 5 THR HB 1 120 LYS QD 0.000 . 5.000 4.520 3.905 5.004 0.004 6 0 "[ . 1 . 2]" 1
189 1 5 THR HB 1 118 THR MG 0.000 . 4.000 3.590 3.364 3.936 . 0 0 "[ . 1 . 2]" 1
190 1 53 THR HB 1 75 ILE MG 0.000 . 6.000 5.436 5.284 5.653 . 0 0 "[ . 1 . 2]" 1
191 1 117 THR HA 1 118 THR HB 0.000 . 5.000 4.721 4.671 4.784 . 0 0 "[ . 1 . 2]" 1
192 1 102 GLU H 1 118 THR HB 0.000 . 4.000 3.749 3.297 4.007 0.007 17 0 "[ . 1 . 2]" 1
193 1 5 THR MG 1 118 THR HB 0.000 . 4.000 3.708 3.595 3.866 . 0 0 "[ . 1 . 2]" 1
194 1 99 ILE HA 1 120 LYS HB3 0.000 . 6.000 4.771 4.077 5.511 . 0 0 "[ . 1 . 2]" 1
195 1 103 THR HA 1 104 LYS HB2 0.000 . 5.000 4.480 4.426 4.548 . 0 0 "[ . 1 . 2]" 1
196 1 128 GLU QG 1 129 ILE MG 0.000 . 6.000 4.877 3.748 5.802 . 0 0 "[ . 1 . 2]" 1
197 1 45 LEU HA 1 46 GLU HG2 0.000 . 6.000 4.544 3.880 4.791 . 0 0 "[ . 1 . 2]" 1
198 1 11 THR HB 1 114 ILE HB 0.000 . 6.000 5.761 5.538 5.979 . 0 0 "[ . 1 . 2]" 1
199 1 128 GLU HB2 1 129 ILE HB 0.000 . 6.000 6.149 5.793 6.528 0.528 16 4 "[ . * 1 -.+ * 2]" 1
200 1 135 LYS QE 1 139 GLU QG 0.000 . 6.000 4.248 3.251 5.839 . 0 0 "[ . 1 . 2]" 1
201 1 9 GLU QG 1 117 THR H 0.000 . 5.000 4.396 4.026 4.996 . 0 0 "[ . 1 . 2]" 1
202 1 8 ASN HB2 1 117 THR HB 0.000 . 6.000 4.094 3.048 5.363 . 0 0 "[ . 1 . 2]" 1
203 1 131 GLU HA 1 132 GLU QG 0.000 . 6.000 5.210 5.141 5.368 . 0 0 "[ . 1 . 2]" 1
204 1 59 PHE QD 1 68 VAL HB 0.000 . 6.000 5.339 4.678 6.017 0.017 11 0 "[ . 1 . 2]" 1
205 1 79 ASN HB3 1 81 THR HB 0.000 . 4.000 3.893 3.658 4.141 0.141 18 0 "[ . 1 . 2]" 1
206 1 96 ILE QG 1 129 ILE HB 0.000 . 5.000 4.257 3.017 4.718 . 0 0 "[ . 1 . 2]" 1
207 1 9 GLU QG 1 116 LYS QD 0.000 . 4.000 3.141 2.473 3.760 . 0 0 "[ . 1 . 2]" 1
208 1 57 ILE HB 1 68 VAL HB 0.000 . 6.000 3.656 2.493 5.326 . 0 0 "[ . 1 . 2]" 1
209 1 7 GLU QG 1 116 LYS QE 0.000 . 5.000 4.869 3.191 4.997 . 0 0 "[ . 1 . 2]" 1
210 1 8 ASN HB3 1 9 GLU QG 0.000 . 6.000 5.301 4.915 5.978 . 0 0 "[ . 1 . 2]" 1
211 1 103 THR HB 1 104 LYS HB2 0.000 . 6.000 5.802 5.732 5.912 . 0 0 "[ . 1 . 2]" 1
212 1 9 GLU QG 1 116 LYS QE 0.000 . 5.000 2.858 2.292 3.225 . 0 0 "[ . 1 . 2]" 1
213 1 81 THR HB 1 104 LYS HB2 0.000 . 6.000 5.675 5.257 6.005 0.005 1 0 "[ . 1 . 2]" 1
214 1 81 THR HB 1 104 LYS HA 0.000 . 5.000 4.779 4.347 4.976 . 0 0 "[ . 1 . 2]" 1
215 1 76 ASP HB2 1 81 THR HB 0.000 . 4.000 2.107 1.873 2.352 . 0 0 "[ . 1 . 2]" 1
216 1 73 HIS HD2 1 102 GLU QG 0.000 . 6.000 4.863 4.569 5.750 . 0 0 "[ . 1 . 2]" 1
217 1 82 TYR HB3 1 103 THR HB 0.000 . 5.000 2.142 1.897 2.265 . 0 0 "[ . 1 . 2]" 1
218 1 81 THR H 1 81 THR HB 0.000 . 3.000 2.712 2.670 2.763 . 0 0 "[ . 1 . 2]" 1
219 1 81 THR HB 1 104 LYS QE 0.000 . 6.000 5.487 4.802 5.881 . 0 0 "[ . 1 . 2]" 1
220 1 69 LYS QD 1 88 GLU HG2 0.000 . 6.000 4.926 3.287 5.822 . 0 0 "[ . 1 . 2]" 1
221 1 88 GLU HG2 1 92 LEU QD 0.000 . 5.000 4.368 4.007 4.861 . 0 0 "[ . 1 . 2]" 1
222 1 144 LEU QB 1 148 ILE HB 0.000 . 6.000 5.837 5.440 6.008 0.008 10 0 "[ . 1 . 2]" 1
223 1 53 THR H 1 72 ILE HB 0.000 . 6.000 2.264 1.993 2.504 . 0 0 "[ . 1 . 2]" 1
224 1 53 THR MG 1 72 ILE HB 0.000 . 6.000 4.083 3.861 4.319 . 0 0 "[ . 1 . 2]" 1
225 1 72 ILE HB 1 74 SER HA 0.000 . 6.000 5.411 5.284 5.535 . 0 0 "[ . 1 . 2]" 1
226 1 79 ASN HB2 1 81 THR MG 0.000 . 5.000 4.463 4.415 4.574 . 0 0 "[ . 1 . 2]" 1
227 1 78 VAL QG 1 79 ASN HB3 0.000 . 5.000 4.892 4.787 5.356 0.356 15 0 "[ . 1 . 2]" 1
228 1 78 VAL HB 1 79 ASN HB3 0.000 . 6.000 5.635 5.283 5.684 . 0 0 "[ . 1 . 2]" 1
229 1 95 ASN QB 1 95 ASN HD21 0.000 . 3.000 2.387 2.226 2.739 . 0 0 "[ . 1 . 2]" 1
230 1 79 ASN HB3 1 81 THR MG 0.000 . 5.000 4.616 4.498 4.740 . 0 0 "[ . 1 . 2]" 1
231 1 28 ASP QB 1 29 ASN H 0.000 . 3.000 2.743 2.522 2.993 . 0 0 "[ . 1 . 2]" 1
232 1 106 VAL HB 1 114 ILE HB 0.000 . 6.000 2.542 2.145 3.008 . 0 0 "[ . 1 . 2]" 1
233 1 17 PRO HG2 1 20 PHE QB 0.000 . 6.000 5.614 5.437 5.743 . 0 0 "[ . 1 . 2]" 1
234 1 20 PHE QB 1 21 LYS H 0.000 . 3.000 2.635 2.397 2.763 . 0 0 "[ . 1 . 2]" 1
235 1 114 ILE HB 1 116 LYS HG2 0.000 . 6.000 5.580 5.185 5.872 . 0 0 "[ . 1 . 2]" 1
236 1 92 LEU HB3 1 97 GLU HA 0.000 . 5.000 4.314 1.851 5.014 0.014 20 0 "[ . 1 . 2]" 1
237 1 86 LEU QD 1 87 ILE HB 0.000 . 5.000 3.692 3.314 4.876 . 0 0 "[ . 1 . 2]" 1
238 1 20 PHE QB 1 22 ALA H 0.000 . 6.000 4.950 4.750 5.105 . 0 0 "[ . 1 . 2]" 1
239 1 20 PHE QB 1 105 LEU QD 0.000 . 5.000 2.672 1.742 3.280 . 0 0 "[ . 1 . 2]" 1
240 1 23 PHE HB2 1 24 VAL QG 0.000 . 6.000 4.211 3.923 4.441 . 0 0 "[ . 1 . 2]" 1
241 1 126 ASP QB 1 128 GLU H 0.000 . 6.000 5.028 3.794 5.727 . 0 0 "[ . 1 . 2]" 1
242 1 23 PHE H 1 23 PHE HB2 0.000 . 3.000 2.735 2.635 2.914 . 0 0 "[ . 1 . 2]" 1
243 1 23 PHE H 1 23 PHE HB3 0.000 . 3.000 2.507 2.449 2.567 . 0 0 "[ . 1 . 2]" 1
244 1 23 PHE HB2 1 145 PHE QD 0.000 . 6.000 5.868 5.400 6.019 0.019 13 0 "[ . 1 . 2]" 1
245 1 23 PHE HB3 1 24 VAL QG 0.000 . 5.000 2.833 2.482 3.073 . 0 0 "[ . 1 . 2]" 1
246 1 3 VAL MG1 1 121 TYR HB2 0.000 . 6.000 4.387 2.729 6.144 0.144 7 0 "[ . 1 . 2]" 1
247 1 24 VAL HB 1 75 ILE HB 0.000 . 6.000 5.612 4.696 6.003 0.003 7 0 "[ . 1 . 2]" 1
248 1 66 GLY HA3 1 90 ASP HB2 0.000 . 6.000 4.068 2.333 6.187 0.187 12 0 "[ . 1 . 2]" 1
249 1 82 TYR QD 1 84 TYR HB2 0.000 . 5.000 5.028 4.962 5.333 0.333 19 0 "[ . 1 . 2]" 1
250 1 72 ILE HA 1 84 TYR HB2 0.000 . 3.000 2.818 2.499 2.982 . 0 0 "[ . 1 . 2]" 1
251 1 76 ASP HB2 1 79 ASN HA 0.000 . 5.000 5.070 4.994 5.205 0.205 4 0 "[ . 1 . 2]" 1
252 1 75 ILE HB 1 77 LYS QE 0.000 . 5.000 4.514 4.344 4.715 . 0 0 "[ . 1 . 2]" 1
253 1 67 TYR H 1 90 ASP HB2 0.000 . 6.000 4.195 2.850 5.409 . 0 0 "[ . 1 . 2]" 1
254 1 10 PHE HB3 1 115 ILE HA 0.000 . 6.000 5.781 5.629 5.992 . 0 0 "[ . 1 . 2]" 1
255 1 75 ILE HB 1 77 LYS HA 0.000 . 6.000 5.246 5.110 5.427 . 0 0 "[ . 1 . 2]" 1
256 1 48 ASP HB2 1 49 GLY HA3 0.000 . 6.000 5.244 4.884 5.987 . 0 0 "[ . 1 . 2]" 1
257 1 68 VAL QG 1 90 ASP HB2 0.000 . 6.000 3.577 3.176 3.800 . 0 0 "[ . 1 . 2]" 1
258 1 75 ILE HB 1 82 TYR QD 0.000 . 5.000 2.645 2.436 2.889 . 0 0 "[ . 1 . 2]" 1
259 1 10 PHE HB3 1 115 ILE MD 0.000 . 4.000 3.798 3.497 4.004 0.004 16 0 "[ . 1 . 2]" 1
260 1 76 ASP HB3 1 79 ASN HB2 0.000 . 4.000 1.972 1.875 2.174 . 0 0 "[ . 1 . 2]" 1
261 1 67 TYR HB2 1 68 VAL H 0.000 . 4.000 2.985 2.877 3.022 . 0 0 "[ . 1 . 2]" 1
262 1 76 ASP HB3 1 81 THR HB 0.000 . 4.000 3.662 3.413 3.908 . 0 0 "[ . 1 . 2]" 1
263 1 76 ASP HB2 1 81 THR H 0.000 . 4.000 2.438 1.869 2.620 . 0 0 "[ . 1 . 2]" 1
264 1 10 PHE HB3 1 145 PHE QD 0.000 . 5.000 4.814 4.283 4.998 . 0 0 "[ . 1 . 2]" 1
265 1 10 PHE HB2 1 115 ILE MD 0.000 . 6.000 5.252 5.020 5.480 . 0 0 "[ . 1 . 2]" 1
266 1 76 ASP HB3 1 81 THR H 0.000 . 4.000 3.558 3.084 3.815 . 0 0 "[ . 1 . 2]" 1
267 1 8 ASN HD22 1 10 PHE HB2 0.000 . 5.000 3.911 2.998 4.725 . 0 0 "[ . 1 . 2]" 1
268 1 10 PHE HB3 1 115 ILE H 0.000 . 5.000 4.105 3.724 4.378 . 0 0 "[ . 1 . 2]" 1
269 1 10 PHE HB3 1 114 ILE MG 0.000 . 6.000 5.167 4.626 5.553 . 0 0 "[ . 1 . 2]" 1
270 1 59 PHE QD 1 67 TYR HB2 0.000 . 5.000 4.448 3.938 4.785 . 0 0 "[ . 1 . 2]" 1
271 1 56 LYS HA 1 67 TYR HB2 0.000 . 6.000 5.210 4.796 5.695 . 0 0 "[ . 1 . 2]" 1
272 1 10 PHE HB3 1 115 ILE HG12 0.000 . 6.000 5.994 5.844 6.251 0.251 15 0 "[ . 1 . 2]" 1
273 1 77 LYS H 1 77 LYS QE 0.000 . 5.000 4.307 4.215 4.585 . 0 0 "[ . 1 . 2]" 1
274 1 15 PRO HD2 1 18 LYS QE 0.000 . 6.000 3.992 3.664 4.384 . 0 0 "[ . 1 . 2]" 1
275 1 6 TYR QB 1 120 LYS QG 0.000 . 6.000 5.900 5.521 6.007 0.007 20 0 "[ . 1 . 2]" 1
276 1 47 GLY H 1 48 ASP HB2 0.000 . 6.000 4.419 4.059 4.804 . 0 0 "[ . 1 . 2]" 1
277 1 57 ILE HB 1 67 TYR HB2 0.000 . 5.000 4.714 4.614 4.880 . 0 0 "[ . 1 . 2]" 1
278 1 66 GLY HA2 1 67 TYR HB3 0.000 . 6.000 4.497 4.156 5.007 . 0 0 "[ . 1 . 2]" 1
279 1 50 GLY HA2 1 77 LYS QE 0.000 . 6.000 5.739 5.384 5.959 . 0 0 "[ . 1 . 2]" 1
280 1 101 TYR HB2 1 102 GLU QB 0.000 . 6.000 5.972 5.582 6.056 0.056 13 0 "[ . 1 . 2]" 1
281 1 25 LEU HA 1 77 LYS QE 0.000 . 6.000 5.387 5.116 5.818 . 0 0 "[ . 1 . 2]" 1
282 1 124 LYS QE 1 125 GLY H 0.000 . 6.000 5.498 4.399 6.006 0.006 10 0 "[ . 1 . 2]" 1
283 1 69 LYS QE 1 88 GLU H 0.000 . 6.000 5.104 2.687 6.002 0.002 17 0 "[ . 1 . 2]" 1
284 1 18 LYS H 1 18 LYS QE 0.000 . 5.000 4.403 4.197 5.002 0.002 18 0 "[ . 1 . 2]" 1
285 1 34 ILE MD 1 147 LEU QB 0.000 . 4.000 2.146 1.643 2.805 . 0 0 "[ . 1 . 2]" 1
286 1 22 ALA HA 1 30 LEU QB 0.000 . 5.000 4.752 4.336 4.948 . 0 0 "[ . 1 . 2]" 1
287 1 82 TYR HB2 1 103 THR HB 0.000 . 4.000 3.788 3.493 3.940 . 0 0 "[ . 1 . 2]" 1
288 1 82 TYR H 1 82 TYR HB3 0.000 . 3.000 2.733 2.661 2.820 . 0 0 "[ . 1 . 2]" 1
289 1 22 ALA MB 1 26 ASP HB3 0.000 . 5.000 3.935 3.619 4.503 . 0 0 "[ . 1 . 2]" 1
290 1 24 VAL QG 1 82 TYR HB2 0.000 . 4.000 2.123 1.854 2.435 . 0 0 "[ . 1 . 2]" 1
291 1 100 ASP HB3 1 120 LYS QG 0.000 . 6.000 4.409 3.174 5.641 . 0 0 "[ . 1 . 2]" 1
292 1 8 ASN HB3 1 117 THR HB 0.000 . 5.000 2.856 2.107 4.976 . 0 0 "[ . 1 . 2]" 1
293 1 24 VAL QG 1 82 TYR HB3 0.000 . 5.000 3.094 2.745 3.384 . 0 0 "[ . 1 . 2]" 1
294 1 8 ASN HB3 1 117 THR MG 0.000 . 5.000 4.111 3.655 4.769 . 0 0 "[ . 1 . 2]" 1
295 1 47 GLY HA3 1 50 GLY HA2 0.000 . 6.000 5.446 5.139 5.533 . 0 0 "[ . 1 . 2]" 1
296 1 47 GLY HA3 1 50 GLY HA3 0.000 . 5.000 4.145 3.622 4.364 . 0 0 "[ . 1 . 2]" 1
297 1 86 LEU HB2 1 86 LEU QD 0.000 . 3.000 2.233 2.101 2.346 . 0 0 "[ . 1 . 2]" 1
298 1 108 ALA MB 1 112 GLY HA2 0.000 . 6.000 5.318 4.727 5.727 . 0 0 "[ . 1 . 2]" 1
299 1 86 LEU HB2 1 101 TYR QD 0.000 . 4.000 3.316 3.010 3.655 . 0 0 "[ . 1 . 2]" 1
300 1 108 ALA MB 1 112 GLY HA3 0.000 . 5.000 4.409 3.705 5.017 0.017 20 0 "[ . 1 . 2]" 1
301 1 111 GLY H 1 112 GLY HA3 0.000 . 5.000 4.760 4.664 4.972 . 0 0 "[ . 1 . 2]" 1
302 1 123 THR HB 1 125 GLY HA2 0.000 . 6.000 5.154 4.657 5.614 . 0 0 "[ . 1 . 2]" 1
303 1 108 ALA MB 1 111 GLY HA3 0.000 . 6.000 5.395 1.973 5.987 . 0 0 "[ . 1 . 2]" 1
304 1 68 VAL HA 1 89 GLY QA 0.000 . 3.000 1.850 1.825 1.901 . 0 0 "[ . 1 . 2]" 1
305 1 47 GLY HA3 1 72 ILE MD 0.000 . 6.000 4.562 4.352 4.902 . 0 0 "[ . 1 . 2]" 1
306 1 89 GLY QA 1 93 SER H 0.000 . 5.000 4.522 4.269 4.762 . 0 0 "[ . 1 . 2]" 1
307 1 86 LEU QD 1 89 GLY QA 0.000 . 3.000 2.545 2.368 2.865 . 0 0 "[ . 1 . 2]" 1
308 1 66 GLY HA2 1 67 TYR QD 0.000 . 5.000 3.684 3.084 4.502 . 0 0 "[ . 1 . 2]" 1
309 1 13 ASP HB2 1 14 ILE MD 0.000 . 4.000 3.064 1.926 4.023 0.023 17 0 "[ . 1 . 2]" 1
310 1 66 GLY HA3 1 67 TYR QD 0.000 . 5.000 4.520 3.065 4.846 . 0 0 "[ . 1 . 2]" 1
311 1 107 SER QB 1 111 GLY HA2 0.000 . 6.000 5.478 5.134 6.773 0.773 20 2 "[ . 1 . -+]" 1
312 1 49 GLY HA2 1 53 THR MG 0.000 . 4.000 2.978 2.879 3.064 . 0 0 "[ . 1 . 2]" 1
313 1 49 GLY HA2 1 53 THR HB 0.000 . 5.000 3.686 3.595 3.838 . 0 0 "[ . 1 . 2]" 1
314 1 49 GLY HA3 1 53 THR MG 0.000 . 5.000 4.057 3.968 4.135 . 0 0 "[ . 1 . 2]" 1
315 1 59 PHE QD 1 66 GLY HA2 0.000 . 5.000 4.699 4.144 5.422 0.422 10 0 "[ . 1 . 2]" 1
316 1 125 GLY HA3 1 126 ASP QB 0.000 . 6.000 4.313 3.909 4.615 . 0 0 "[ . 1 . 2]" 1
317 1 123 THR HB 1 125 GLY HA3 0.000 . 6.000 5.753 5.447 6.008 0.008 3 0 "[ . 1 . 2]" 1
318 1 125 GLY HA2 1 126 ASP QB 0.000 . 6.000 4.813 4.073 5.485 . 0 0 "[ . 1 . 2]" 1
319 1 13 ASP H 1 14 ILE MD 0.000 . 5.000 3.563 2.793 4.964 . 0 0 "[ . 1 . 2]" 1
320 1 14 ILE MD 1 153 LYS H 0.000 . 4.000 3.674 2.980 4.016 0.016 15 0 "[ . 1 . 2]" 1
321 1 14 ILE MD 1 149 GLU HA 0.000 . 4.000 2.841 1.808 4.012 0.012 13 0 "[ . 1 . 2]" 1
322 1 13 ASP HB3 1 14 ILE MD 0.000 . 5.000 2.571 1.986 4.099 . 0 0 "[ . 1 . 2]" 1
323 1 14 ILE H 1 14 ILE MD 0.000 . 4.000 3.146 2.123 3.816 . 0 0 "[ . 1 . 2]" 1
324 1 123 THR MG 1 129 ILE MD 0.000 . 6.000 4.507 2.526 5.316 . 0 0 "[ . 1 . 2]" 1
325 1 121 TYR HB2 1 129 ILE MD 0.000 . 6.000 5.229 3.629 5.996 . 0 0 "[ . 1 . 2]" 1
326 1 121 TYR QD 1 129 ILE MD 0.000 . 5.000 4.603 3.395 4.994 . 0 0 "[ . 1 . 2]" 1
327 1 23 PHE QD 1 31 ILE MD 0.000 . 6.000 5.934 5.004 6.009 0.009 19 0 "[ . 1 . 2]" 1
328 1 44 ILE MD 1 46 GLU H 0.000 . 6.000 5.223 4.630 5.356 . 0 0 "[ . 1 . 2]" 1
329 1 23 PHE QE 1 31 ILE MD 0.000 . 6.000 5.623 4.745 5.837 . 0 0 "[ . 1 . 2]" 1
330 1 29 ASN QB 1 31 ILE MD 0.000 . 6.000 5.958 5.715 6.024 0.024 13 0 "[ . 1 . 2]" 1
331 1 44 ILE MD 1 49 GLY H 0.000 . 5.000 2.373 2.114 2.677 . 0 0 "[ . 1 . 2]" 1
332 1 44 ILE MD 1 48 ASP HB2 0.000 . 5.000 4.576 4.183 5.668 0.668 16 1 "[ . 1 .+ 2]" 1
333 1 44 ILE MD 1 48 ASP H 0.000 . 5.000 3.183 2.959 4.151 . 0 0 "[ . 1 . 2]" 1
334 1 44 ILE MD 1 53 THR MG 0.000 . 3.000 2.668 2.511 2.844 . 0 0 "[ . 1 . 2]" 1
335 1 44 ILE MD 1 49 GLY HA3 0.000 . 4.000 3.401 3.105 3.993 . 0 0 "[ . 1 . 2]" 1
336 1 44 ILE MD 1 55 LYS HA 0.000 . 5.000 4.655 2.221 4.994 . 0 0 "[ . 1 . 2]" 1
337 1 137 GLY HA2 1 140 LYS QB 0.000 . 3.000 2.737 2.518 2.891 . 0 0 "[ . 1 . 2]" 1
338 1 137 GLY HA2 1 139 GLU QB 0.000 . 6.000 5.041 4.808 5.265 . 0 0 "[ . 1 . 2]" 1
339 1 54 ILE HA 1 72 ILE MD 0.000 . 6.000 5.661 5.231 5.920 . 0 0 "[ . 1 . 2]" 1
340 1 55 LYS QE 1 72 ILE MD 0.000 . 6.000 2.177 1.776 3.289 . 0 0 "[ . 1 . 2]" 1
341 1 71 LYS HA 1 72 ILE MD 0.000 . 6.000 4.915 4.778 4.978 . 0 0 "[ . 1 . 2]" 1
342 1 72 ILE MD 1 82 TYR QE 0.000 . 6.000 2.793 2.386 3.370 . 0 0 "[ . 1 . 2]" 1
343 1 72 ILE MD 1 84 TYR QD 0.000 . 6.000 5.517 5.245 5.690 . 0 0 "[ . 1 . 2]" 1
344 1 72 ILE MD 1 82 TYR QD 0.000 . 6.000 4.668 4.332 5.103 . 0 0 "[ . 1 . 2]" 1
345 1 57 ILE MD 1 59 PHE QD 0.000 . 6.000 5.401 5.125 5.924 . 0 0 "[ . 1 . 2]" 1
346 1 42 ALA HA 1 57 ILE MD 0.000 . 5.000 4.450 4.191 4.659 . 0 0 "[ . 1 . 2]" 1
347 1 108 ALA MB 1 114 ILE MD 0.000 . 6.000 2.339 1.870 2.741 . 0 0 "[ . 1 . 2]" 1
348 1 107 SER H 1 114 ILE MD 0.000 . 6.000 5.493 4.952 5.831 . 0 0 "[ . 1 . 2]" 1
349 1 23 PHE HB2 1 148 ILE MD 0.000 . 6.000 4.175 3.508 5.461 . 0 0 "[ . 1 . 2]" 1
350 1 23 PHE HA 1 148 ILE MD 0.000 . 6.000 3.753 3.176 4.499 . 0 0 "[ . 1 . 2]" 1
351 1 23 PHE QE 1 148 ILE MD 0.000 . 6.000 2.828 2.024 4.858 . 0 0 "[ . 1 . 2]" 1
352 1 23 PHE QD 1 148 ILE MD 0.000 . 6.000 2.434 1.782 4.156 . 0 0 "[ . 1 . 2]" 1
353 1 145 PHE QD 1 148 ILE MD 0.000 . 6.000 2.994 2.302 4.926 . 0 0 "[ . 1 . 2]" 1
354 1 145 PHE HA 1 148 ILE MD 0.000 . 6.000 2.324 1.836 4.062 . 0 0 "[ . 1 . 2]" 1
355 1 86 LEU QD 1 87 ILE MD 0.000 . 6.000 4.582 3.910 5.694 . 0 0 "[ . 1 . 2]" 1
356 1 86 LEU HA 1 87 ILE MD 0.000 . 6.000 4.710 3.801 5.954 . 0 0 "[ . 1 . 2]" 1
357 1 87 ILE MD 1 88 GLU HG2 0.000 . 6.000 5.433 4.293 5.929 . 0 0 "[ . 1 . 2]" 1
358 1 71 LYS HA 1 87 ILE MD 0.000 . 6.000 3.673 2.784 4.789 . 0 0 "[ . 1 . 2]" 1
359 1 50 GLY HA2 1 75 ILE MD 0.000 . 4.000 2.496 2.283 2.764 . 0 0 "[ . 1 . 2]" 1
360 1 25 LEU HA 1 75 ILE MD 0.000 . 6.000 5.812 5.419 6.006 0.006 14 0 "[ . 1 . 2]" 1
361 1 75 ILE MD 1 82 TYR QE 0.000 . 4.000 3.416 3.075 3.844 . 0 0 "[ . 1 . 2]" 1
362 1 24 VAL QG 1 75 ILE MD 0.000 . 4.000 3.174 2.883 3.610 . 0 0 "[ . 1 . 2]" 1
363 1 34 ILE MD 1 148 ILE HA 0.000 . 4.000 2.944 2.022 3.829 . 0 0 "[ . 1 . 2]" 1
364 1 34 ILE MD 1 147 LEU H 0.000 . 5.000 4.156 3.703 4.641 . 0 0 "[ . 1 . 2]" 1
365 1 34 ILE H 1 34 ILE MD 0.000 . 4.000 3.477 2.913 3.627 . 0 0 "[ . 1 . 2]" 1
366 1 108 ALA HA 1 114 ILE MD 0.000 . 5.000 3.974 3.138 4.501 . 0 0 "[ . 1 . 2]" 1
367 1 99 ILE H 1 99 ILE MD 0.000 . 4.000 3.846 3.601 4.013 0.013 6 0 "[ . 1 . 2]" 1
368 1 92 LEU HA 1 99 ILE MD 0.000 . 5.000 4.253 3.803 4.764 . 0 0 "[ . 1 . 2]" 1
369 1 108 ALA HA 1 113 THR HA 0.000 . 6.000 5.612 5.341 5.786 . 0 0 "[ . 1 . 2]" 1
370 1 86 LEU QD 1 99 ILE MD 0.000 . 4.000 2.346 1.708 2.742 . 0 0 "[ . 1 . 2]" 1
371 1 99 ILE MD 1 121 TYR QD 0.000 . 5.000 2.597 1.788 4.202 . 0 0 "[ . 1 . 2]" 1
372 1 33 LYS HA 1 36 PRO HD2 0.000 . 6.000 4.992 4.639 5.262 . 0 0 "[ . 1 . 2]" 1
373 1 35 ALA HA 1 36 PRO HD2 0.000 . 3.000 2.149 2.097 2.235 . 0 0 "[ . 1 . 2]" 1
374 1 36 PRO HD2 1 37 GLN H 0.000 . 3.000 2.692 2.657 2.746 . 0 0 "[ . 1 . 2]" 1
375 1 12 SER HB2 1 115 ILE MD 0.000 . 5.000 3.038 1.839 4.010 . 0 0 "[ . 1 . 2]" 1
376 1 28 ASP HA 1 32 PRO QD 0.000 . 6.000 3.627 3.348 3.922 . 0 0 "[ . 1 . 2]" 1
377 1 12 SER HB3 1 115 ILE MD 0.000 . 5.000 2.541 1.962 3.275 . 0 0 "[ . 1 . 2]" 1
378 1 12 SER H 1 115 ILE MD 0.000 . 5.000 3.416 2.427 4.031 . 0 0 "[ . 1 . 2]" 1
379 1 115 ILE MD 1 145 PHE QD 0.000 . 5.000 3.366 2.328 4.283 . 0 0 "[ . 1 . 2]" 1
380 1 10 PHE HA 1 115 ILE MD 0.000 . 6.000 5.593 5.295 5.850 . 0 0 "[ . 1 . 2]" 1
381 1 115 ILE MD 1 148 ILE HB 0.000 . 6.000 5.320 4.611 6.004 0.004 13 0 "[ . 1 . 2]" 1
382 1 35 ALA HA 1 36 PRO QB 0.000 . 5.000 4.868 4.829 4.923 . 0 0 "[ . 1 . 2]" 1
383 1 35 ALA HA 1 36 PRO HG3 0.000 . 5.000 4.739 4.675 4.829 . 0 0 "[ . 1 . 2]" 1
384 1 109 PRO HD2 1 114 ILE MD 0.000 . 6.000 4.591 3.971 5.284 . 0 0 "[ . 1 . 2]" 1
385 1 35 ALA HA 1 37 GLN QB 0.000 . 5.000 4.617 4.466 5.017 0.017 4 0 "[ . 1 . 2]" 1
386 1 109 PRO HD3 1 114 ILE MD 0.000 . 6.000 5.391 4.605 6.006 0.006 20 0 "[ . 1 . 2]" 1
387 1 35 ALA HA 1 38 ALA MB 0.000 . 4.000 3.817 3.442 4.002 0.002 6 0 "[ . 1 . 2]" 1
388 1 35 ALA HA 1 37 GLN H 0.000 . 4.000 3.499 3.406 3.807 . 0 0 "[ . 1 . 2]" 1
389 1 42 ALA HA 1 57 ILE HB 0.000 . 5.000 4.975 4.842 5.008 0.008 10 0 "[ . 1 . 2]" 1
390 1 42 ALA HA 1 43 GLU H 0.000 . 3.000 2.196 2.190 2.211 . 0 0 "[ . 1 . 2]" 1
391 1 39 VAL QG 1 42 ALA HA 0.000 . 6.000 3.963 3.443 4.567 . 0 0 "[ . 1 . 2]" 1
392 1 16 ALA MB 1 18 LYS H 0.000 . 5.000 4.676 4.569 4.732 . 0 0 "[ . 1 . 2]" 1
393 1 16 ALA MB 1 20 PHE H 0.000 . 5.000 4.587 4.490 4.677 . 0 0 "[ . 1 . 2]" 1
394 1 16 ALA MB 1 105 LEU HG 0.000 . 5.000 3.991 2.722 4.501 . 0 0 "[ . 1 . 2]" 1
395 1 16 ALA MB 1 105 LEU HA 0.000 . 5.000 3.761 3.442 4.144 . 0 0 "[ . 1 . 2]" 1
396 1 16 ALA MB 1 113 THR HB 0.000 . 5.000 4.732 4.495 4.958 . 0 0 "[ . 1 . 2]" 1
397 1 16 ALA MB 1 107 SER HA 0.000 . 5.000 3.679 3.176 4.202 . 0 0 "[ . 1 . 2]" 1
398 1 16 ALA MB 1 114 ILE H 0.000 . 5.000 4.594 4.231 4.844 . 0 0 "[ . 1 . 2]" 1
399 1 16 ALA MB 1 107 SER H 0.000 . 5.000 3.282 2.731 3.669 . 0 0 "[ . 1 . 2]" 1
400 1 86 LEU HB3 1 99 ILE MG 0.000 . 5.000 4.143 3.492 4.358 . 0 0 "[ . 1 . 2]" 1
401 1 15 PRO HD3 1 18 LYS HD3 0.000 . 6.000 4.313 4.139 4.579 . 0 0 "[ . 1 . 2]" 1
402 1 15 PRO HD2 1 18 LYS HD3 0.000 . 6.000 3.404 3.256 3.687 . 0 0 "[ . 1 . 2]" 1
403 1 123 THR MG 1 129 ILE MG 0.000 . 5.000 4.002 3.104 4.852 . 0 0 "[ . 1 . 2]" 1
404 1 129 ILE MG 1 131 GLU QB 0.000 . 5.000 4.780 4.503 5.011 0.011 8 0 "[ . 1 . 2]" 1
405 1 121 TYR QD 1 129 ILE MG 0.000 . 6.000 5.122 4.291 6.018 0.018 17 0 "[ . 1 . 2]" 1
406 1 128 GLU HA 1 129 ILE MG 0.000 . 4.000 3.906 3.810 4.015 0.015 10 0 "[ . 1 . 2]" 1
407 1 14 ILE MG 1 18 LYS QE 0.000 . 5.000 4.479 3.624 4.791 . 0 0 "[ . 1 . 2]" 1
408 1 14 ILE MG 1 19 LEU H 0.000 . 4.000 2.744 2.480 3.188 . 0 0 "[ . 1 . 2]" 1
409 1 14 ILE MG 1 18 LYS H 0.000 . 4.000 3.764 3.623 3.919 . 0 0 "[ . 1 . 2]" 1
410 1 129 ILE MG 1 133 HIS QB 0.000 . 5.000 4.062 3.479 4.973 . 0 0 "[ . 1 . 2]" 1
411 1 14 ILE MG 1 18 LYS HD3 0.000 . 4.000 3.394 2.122 3.761 . 0 0 "[ . 1 . 2]" 1
412 1 14 ILE MG 1 19 LEU HA 0.000 . 4.000 3.071 2.608 3.612 . 0 0 "[ . 1 . 2]" 1
413 1 14 ILE MG 1 15 PRO HD3 0.000 . 3.000 3.056 2.967 3.202 0.202 5 0 "[ . 1 . 2]" 1
414 1 23 PHE HA 1 148 ILE MG 0.000 . 6.000 3.622 2.850 4.229 . 0 0 "[ . 1 . 2]" 1
415 1 76 ASP HA 1 77 LYS H 0.000 . 3.000 2.289 2.210 2.308 . 0 0 "[ . 1 . 2]" 1
416 1 76 ASP HA 1 78 VAL QG 0.000 . 6.000 4.753 3.882 4.857 . 0 0 "[ . 1 . 2]" 1
417 1 76 ASP HA 1 78 VAL H 0.000 . 4.000 3.561 3.444 3.622 . 0 0 "[ . 1 . 2]" 1
418 1 48 ASP HA 1 50 GLY H 0.000 . 5.000 4.720 4.586 4.775 . 0 0 "[ . 1 . 2]" 1
419 1 78 VAL QG 1 79 ASN HA 0.000 . 5.000 3.447 3.272 4.113 . 0 0 "[ . 1 . 2]" 1
420 1 44 ILE MG 1 48 ASP HA 0.000 . 3.000 2.592 1.954 2.831 . 0 0 "[ . 1 . 2]" 1
421 1 44 ILE HB 1 48 ASP HA 0.000 . 4.000 3.061 2.110 3.372 . 0 0 "[ . 1 . 2]" 1
422 1 72 ILE MG 1 82 TYR QE 0.000 . 4.000 2.837 2.583 3.045 . 0 0 "[ . 1 . 2]" 1
423 1 72 ILE MG 1 73 HIS HD2 0.000 . 6.000 5.166 5.005 5.324 . 0 0 "[ . 1 . 2]" 1
424 1 92 LEU HB3 1 96 ILE MG 0.000 . 6.000 3.677 2.489 5.914 . 0 0 "[ . 1 . 2]" 1
425 1 44 ILE MG 1 47 GLY HA3 0.000 . 4.000 3.515 3.412 3.598 . 0 0 "[ . 1 . 2]" 1
426 1 48 ASP HA 1 53 THR MG 0.000 . 4.000 3.420 3.097 3.512 . 0 0 "[ . 1 . 2]" 1
427 1 96 ILE MG 1 124 LYS H 0.000 . 6.000 4.450 1.839 5.618 . 0 0 "[ . 1 . 2]" 1
428 1 44 ILE HA 1 54 ILE MG 0.000 . 6.000 4.869 4.648 4.981 . 0 0 "[ . 1 . 2]" 1
429 1 39 VAL HB 1 57 ILE MG 0.000 . 4.000 2.631 1.838 3.852 . 0 0 "[ . 1 . 2]" 1
430 1 57 ILE MG 1 67 TYR HB2 0.000 . 6.000 4.969 4.865 5.065 . 0 0 "[ . 1 . 2]" 1
431 1 57 ILE MG 1 67 TYR HA 0.000 . 6.000 4.371 4.224 4.620 . 0 0 "[ . 1 . 2]" 1
432 1 55 LYS QB 1 57 ILE MG 0.000 . 6.000 5.568 5.426 5.678 . 0 0 "[ . 1 . 2]" 1
433 1 42 ALA MB 1 57 ILE MG 0.000 . 4.000 2.999 2.637 3.446 . 0 0 "[ . 1 . 2]" 1
434 1 91 ALA HA 1 96 ILE MD 0.000 . 6.000 4.710 3.953 6.022 0.022 13 0 "[ . 1 . 2]" 1
435 1 57 ILE MG 1 58 THR HB 0.000 . 6.000 4.656 4.368 5.409 . 0 0 "[ . 1 . 2]" 1
436 1 141 ALA MB 1 144 LEU QD 0.000 . 6.000 3.932 3.346 4.494 . 0 0 "[ . 1 . 2]" 1
437 1 134 VAL MG1 1 136 ALA MB 0.000 . 6.000 5.590 5.376 5.703 . 0 0 "[ . 1 . 2]" 1
438 1 24 VAL QG 1 75 ILE MG 0.000 . 4.000 3.316 3.059 3.612 . 0 0 "[ . 1 . 2]" 1
439 1 75 ILE HG12 1 75 ILE MG 0.000 . 3.000 2.277 2.190 2.369 . 0 0 "[ . 1 . 2]" 1
440 1 44 ILE MG 1 45 LEU H 0.000 . 3.000 2.809 2.594 2.924 . 0 0 "[ . 1 . 2]" 1
441 1 75 ILE MG 1 77 LYS H 0.000 . 6.000 5.717 5.640 6.030 0.030 15 0 "[ . 1 . 2]" 1
442 1 24 VAL HB 1 75 ILE MG 0.000 . 6.000 5.244 3.738 6.004 0.004 7 0 "[ . 1 . 2]" 1
443 1 75 ILE MG 1 82 TYR QD 0.000 . 3.000 2.446 2.071 2.708 . 0 0 "[ . 1 . 2]" 1
444 1 44 ILE MG 1 53 THR MG 0.000 . 3.000 1.654 1.622 1.713 . 0 0 "[ . 1 . 2]" 1
445 1 44 ILE MG 1 46 GLU H 0.000 . 3.000 2.308 2.113 2.541 . 0 0 "[ . 1 . 2]" 1
446 1 142 ALA MB 1 145 PHE QD 0.000 . 5.000 4.028 3.493 4.988 . 0 0 "[ . 1 . 2]" 1
447 1 44 ILE MG 1 45 LEU HA 0.000 . 5.000 4.321 4.182 4.437 . 0 0 "[ . 1 . 2]" 1
448 1 91 ALA HA 1 92 LEU QD 0.000 . 5.000 4.136 3.933 4.343 . 0 0 "[ . 1 . 2]" 1
449 1 68 VAL QG 1 91 ALA HA 0.000 . 6.000 5.274 4.868 5.614 . 0 0 "[ . 1 . 2]" 1
450 1 90 ASP HB3 1 91 ALA HA 0.000 . 5.000 4.353 3.873 4.659 . 0 0 "[ . 1 . 2]" 1
451 1 33 LYS H 1 34 ILE MG 0.000 . 6.000 5.854 5.717 5.950 . 0 0 "[ . 1 . 2]" 1
452 1 29 ASN HA 1 31 ILE MG 0.000 . 6.000 5.738 5.300 6.009 0.009 1 0 "[ . 1 . 2]" 1
453 1 30 LEU H 1 31 ILE MG 0.000 . 6.000 5.804 5.699 5.920 . 0 0 "[ . 1 . 2]" 1
454 1 34 ILE MG 1 148 ILE HA 0.000 . 6.000 5.107 4.481 5.921 . 0 0 "[ . 1 . 2]" 1
455 1 34 ILE MG 1 151 TYR QD 0.000 . 5.000 4.590 3.802 5.004 0.004 6 0 "[ . 1 . 2]" 1
456 1 22 ALA HA 1 26 ASP HA 0.000 . 5.000 4.502 4.265 5.012 0.012 18 0 "[ . 1 . 2]" 1
457 1 31 ILE MG 1 35 ALA H 0.000 . 5.000 4.699 4.396 5.004 0.004 12 0 "[ . 1 . 2]" 1
458 1 28 ASP HA 1 31 ILE MG 0.000 . 6.000 4.643 4.389 5.039 . 0 0 "[ . 1 . 2]" 1
459 1 69 LYS HA 1 87 ILE MG 0.000 . 6.000 5.527 3.800 5.945 . 0 0 "[ . 1 . 2]" 1
460 1 35 ALA MB 1 38 ALA HA 0.000 . 5.000 4.478 4.271 4.709 . 0 0 "[ . 1 . 2]" 1
461 1 108 ALA MB 1 113 THR H 0.000 . 6.000 5.210 4.659 5.631 . 0 0 "[ . 1 . 2]" 1
462 1 108 ALA MB 1 111 GLY H 0.000 . 4.000 3.362 2.610 3.580 . 0 0 "[ . 1 . 2]" 1
463 1 108 ALA MB 1 114 ILE H 0.000 . 5.000 4.009 3.532 4.789 . 0 0 "[ . 1 . 2]" 1
464 1 87 ILE MG 1 88 GLU HA 0.000 . 4.000 3.857 3.590 3.984 . 0 0 "[ . 1 . 2]" 1
465 1 108 ALA MB 1 113 THR HA 0.000 . 5.000 4.135 3.765 4.627 . 0 0 "[ . 1 . 2]" 1
466 1 108 ALA MB 1 110 HIS HA 0.000 . 6.000 4.733 4.593 5.401 . 0 0 "[ . 1 . 2]" 1
467 1 32 PRO QB 1 35 ALA MB 0.000 . 6.000 5.360 5.131 5.695 . 0 0 "[ . 1 . 2]" 1
468 1 87 ILE MG 1 88 GLU H 0.000 . 3.000 2.827 1.761 3.013 0.013 18 0 "[ . 1 . 2]" 1
469 1 70 HIS HA 1 87 ILE MG 0.000 . 6.000 5.390 3.543 5.756 . 0 0 "[ . 1 . 2]" 1
470 1 29 ASN HA 1 32 PRO QG 0.000 . 4.000 2.256 2.042 2.484 . 0 0 "[ . 1 . 2]" 1
471 1 95 ASN HA 1 124 LYS H 0.000 . 6.000 4.374 3.740 5.417 . 0 0 "[ . 1 . 2]" 1
472 1 57 ILE MD 1 68 VAL QG 0.000 . 4.000 2.726 1.805 3.418 . 0 0 "[ . 1 . 2]" 1
473 1 59 PHE QD 1 68 VAL QG 0.000 . 4.000 3.388 3.023 3.832 . 0 0 "[ . 1 . 2]" 1
474 1 44 ILE HA 1 55 LYS HA 0.000 . 3.000 1.966 1.870 2.177 . 0 0 "[ . 1 . 2]" 1
475 1 108 ALA MB 1 110 HIS QB 0.000 . 5.000 3.106 2.758 4.835 . 0 0 "[ . 1 . 2]" 1
476 1 95 ASN HA 1 127 VAL H 0.000 . 6.000 5.624 4.835 5.998 . 0 0 "[ . 1 . 2]" 1
477 1 55 LYS HD2 1 71 LYS HA 0.000 . 6.000 5.320 4.514 6.680 0.680 18 2 "[ . 1- . + 2]" 1
478 1 95 ASN HA 1 125 GLY H 0.000 . 6.000 5.604 4.739 6.003 0.003 9 0 "[ . 1 . 2]" 1
479 1 45 LEU H 1 55 LYS HA 0.000 . 3.000 2.823 2.468 2.997 . 0 0 "[ . 1 . 2]" 1
480 1 27 ALA MB 1 29 ASN H 0.000 . 5.000 4.448 4.279 4.663 . 0 0 "[ . 1 . 2]" 1
481 1 95 ASN HA 1 96 ILE QG 0.000 . 5.000 4.599 4.490 4.786 . 0 0 "[ . 1 . 2]" 1
482 1 90 ASP HB3 1 91 ALA MB 0.000 . 5.000 4.641 3.849 5.026 0.026 16 0 "[ . 1 . 2]" 1
483 1 86 LEU QD 1 91 ALA MB 0.000 . 5.000 3.829 3.325 4.124 . 0 0 "[ . 1 . 2]" 1
484 1 35 ALA MB 1 37 GLN H 0.000 . 5.000 4.163 3.962 4.615 . 0 0 "[ . 1 . 2]" 1
485 1 34 ILE MD 1 35 ALA MB 0.000 . 5.000 4.737 4.621 5.022 0.022 12 0 "[ . 1 . 2]" 1
486 1 23 PHE QD 1 27 ALA MB 0.000 . 5.000 4.067 3.592 4.444 . 0 0 "[ . 1 . 2]" 1
487 1 33 LYS H 1 35 ALA MB 0.000 . 6.000 5.742 5.481 5.966 . 0 0 "[ . 1 . 2]" 1
488 1 90 ASP HB2 1 91 ALA MB 0.000 . 5.000 4.246 3.950 5.001 0.001 14 0 "[ . 1 . 2]" 1
489 1 71 LYS HA 1 72 ILE HB 0.000 . 5.000 4.738 4.700 4.768 . 0 0 "[ . 1 . 2]" 1
490 1 123 THR MG 1 126 ASP HA 0.000 . 6.000 5.003 2.776 6.008 0.008 20 0 "[ . 1 . 2]" 1
491 1 41 CYS QB 1 43 GLU HA 0.000 . 6.000 5.217 4.948 5.431 . 0 0 "[ . 1 . 2]" 1
492 1 9 GLU HA 1 114 ILE MG 0.000 . 4.000 3.842 3.587 3.965 . 0 0 "[ . 1 . 2]" 1
493 1 38 ALA MB 1 59 PHE QD 0.000 . 5.000 3.738 3.034 5.000 0.000 20 0 "[ . 1 . 2]" 1
494 1 36 PRO HD2 1 38 ALA MB 0.000 . 6.000 5.073 4.724 5.230 . 0 0 "[ . 1 . 2]" 1
495 1 135 LYS QE 1 136 ALA HA 0.000 . 6.000 5.390 4.101 5.758 . 0 0 "[ . 1 . 2]" 1
496 1 9 GLU HA 1 117 THR H 0.000 . 4.000 3.621 3.291 3.955 . 0 0 "[ . 1 . 2]" 1
497 1 35 ALA MB 1 38 ALA MB 0.000 . 3.000 1.992 1.812 2.201 . 0 0 "[ . 1 . 2]" 1
498 1 9 GLU HA 1 116 LYS QD 0.000 . 5.000 4.713 4.243 4.967 . 0 0 "[ . 1 . 2]" 1
499 1 9 GLU HA 1 116 LYS HA 0.000 . 3.000 2.335 2.023 2.695 . 0 0 "[ . 1 . 2]" 1
500 1 38 ALA MB 1 39 VAL H 0.000 . 3.000 2.564 2.342 2.906 . 0 0 "[ . 1 . 2]" 1
501 1 9 GLU HA 1 116 LYS QE 0.000 . 5.000 4.475 4.059 4.841 . 0 0 "[ . 1 . 2]" 1
502 1 37 GLN H 1 38 ALA MB 0.000 . 5.000 4.166 4.052 4.297 . 0 0 "[ . 1 . 2]" 1
503 1 5 THR MG 1 7 GLU HA 0.000 . 5.000 4.372 4.229 4.523 . 0 0 "[ . 1 . 2]" 1
504 1 35 ALA H 1 38 ALA MB 0.000 . 5.000 4.873 4.686 5.012 0.012 16 0 "[ . 1 . 2]" 1
505 1 24 VAL QG 1 103 THR MG 0.000 . 6.000 4.071 3.875 4.208 . 0 0 "[ . 1 . 2]" 1
506 1 75 ILE HB 1 82 TYR HA 0.000 . 4.000 3.632 3.424 3.910 . 0 0 "[ . 1 . 2]" 1
507 1 24 VAL QG 1 75 ILE HB 0.000 . 4.000 3.401 3.092 3.762 . 0 0 "[ . 1 . 2]" 1
508 1 7 GLU HA 1 118 THR MG 0.000 . 3.000 2.877 2.691 2.995 . 0 0 "[ . 1 . 2]" 1
509 1 7 GLU HA 1 117 THR MG 0.000 . 6.000 5.090 4.757 5.978 . 0 0 "[ . 1 . 2]" 1
510 1 36 PRO QB 1 38 ALA MB 0.000 . 6.000 5.656 5.534 5.770 . 0 0 "[ . 1 . 2]" 1
511 1 13 ASP HA 1 149 GLU QG 0.000 . 6.000 4.627 3.898 5.420 . 0 0 "[ . 1 . 2]" 1
512 1 142 ALA HA 1 145 PHE QD 0.000 . 5.000 2.626 1.865 4.495 . 0 0 "[ . 1 . 2]" 1
513 1 7 GLU HA 1 118 THR H 0.000 . 5.000 4.560 4.398 4.827 . 0 0 "[ . 1 . 2]" 1
514 1 136 ALA HA 1 139 GLU QB 0.000 . 4.000 2.908 2.549 3.175 . 0 0 "[ . 1 . 2]" 1
515 1 136 ALA HA 1 139 GLU QG 0.000 . 5.000 3.685 2.791 5.003 0.003 11 0 "[ . 1 . 2]" 1
516 1 56 LYS QG 1 69 LYS HA 0.000 . 4.000 3.920 3.549 3.997 . 0 0 "[ . 1 . 2]" 1
517 1 82 TYR HA 1 82 TYR QE 0.000 . 5.000 4.520 4.489 4.575 . 0 0 "[ . 1 . 2]" 1
518 1 5 THR HB 1 120 LYS HA 0.000 . 6.000 5.635 5.366 5.879 . 0 0 "[ . 1 . 2]" 1
519 1 22 ALA MB 1 148 ILE HA 0.000 . 6.000 5.789 5.161 5.989 . 0 0 "[ . 1 . 2]" 1
520 1 115 ILE MG 1 145 PHE QD 0.000 . 5.000 4.028 3.228 4.971 . 0 0 "[ . 1 . 2]" 1
521 1 116 LYS HA 1 117 THR H 0.000 . 3.000 2.219 2.198 2.252 . 0 0 "[ . 1 . 2]" 1
522 1 128 GLU HA 1 129 ILE HB 0.000 . 5.000 4.376 4.227 4.659 . 0 0 "[ . 1 . 2]" 1
523 1 99 ILE HA 1 120 LYS HA 0.000 . 6.000 5.613 5.342 5.853 . 0 0 "[ . 1 . 2]" 1
524 1 22 ALA HA 1 24 VAL H 0.000 . 6.000 3.975 3.692 4.338 . 0 0 "[ . 1 . 2]" 1
525 1 22 ALA HA 1 25 LEU H 0.000 . 6.000 4.215 3.906 4.991 . 0 0 "[ . 1 . 2]" 1
526 1 86 LEU HB3 1 98 LYS HA 0.000 . 5.000 4.072 3.649 5.002 0.002 6 0 "[ . 1 . 2]" 1
527 1 128 GLU HA 1 129 ILE H 0.000 . 3.000 2.305 2.192 2.554 . 0 0 "[ . 1 . 2]" 1
528 1 106 VAL MG2 1 116 LYS HA 0.000 . 6.000 5.618 5.265 5.991 . 0 0 "[ . 1 . 2]" 1
529 1 133 HIS QB 1 134 VAL MG2 0.000 . 4.000 3.037 2.915 3.284 . 0 0 "[ . 1 . 2]" 1
530 1 106 VAL MG1 1 114 ILE H 0.000 . 6.000 4.022 3.711 4.511 . 0 0 "[ . 1 . 2]" 1
531 1 83 SER HA 1 102 GLU HA 0.000 . 3.000 2.259 2.061 2.547 . 0 0 "[ . 1 . 2]" 1
532 1 10 PHE HA 1 11 THR H 0.000 . 3.000 2.238 2.198 2.305 . 0 0 "[ . 1 . 2]" 1
533 1 70 HIS HA 1 86 LEU HA 0.000 . 6.000 2.118 1.903 2.424 . 0 0 "[ . 1 . 2]" 1
534 1 102 GLU HA 1 118 THR HB 0.000 . 6.000 5.017 4.727 5.490 . 0 0 "[ . 1 . 2]" 1
535 1 131 GLU HA 1 134 VAL MG2 0.000 . 4.000 2.895 2.695 3.065 . 0 0 "[ . 1 . 2]" 1
536 1 134 VAL H 1 134 VAL MG2 0.000 . 3.000 1.995 1.910 2.180 . 0 0 "[ . 1 . 2]" 1
537 1 46 GLU HA 1 54 ILE HB 0.000 . 6.000 5.538 5.276 5.694 . 0 0 "[ . 1 . 2]" 1
538 1 46 GLU HA 1 53 THR MG 0.000 . 5.000 4.275 4.241 4.371 . 0 0 "[ . 1 . 2]" 1
539 1 46 GLU HA 1 47 GLY H 0.000 . 3.000 2.350 2.219 2.386 . 0 0 "[ . 1 . 2]" 1
540 1 98 LYS HA 1 99 ILE H 0.000 . 3.000 2.407 2.304 2.557 . 0 0 "[ . 1 . 2]" 1
541 1 106 VAL MG1 1 107 SER QB 0.000 . 5.000 4.259 3.901 4.623 . 0 0 "[ . 1 . 2]" 1
542 1 3 VAL MG2 1 123 THR MG 0.000 . 5.000 3.216 2.025 4.772 . 0 0 "[ . 1 . 2]" 1
543 1 6 TYR QB 1 119 SER HA 0.000 . 6.000 5.793 5.082 6.010 0.010 17 0 "[ . 1 . 2]" 1
544 1 81 THR MG 1 102 GLU HA 0.000 . 6.000 4.948 4.726 5.224 . 0 0 "[ . 1 . 2]" 1
545 1 3 VAL MG1 1 123 THR MG 0.000 . 6.000 4.423 3.564 4.959 . 0 0 "[ . 1 . 2]" 1
546 1 39 VAL QG 1 59 PHE HA 0.000 . 5.000 3.321 2.940 3.640 . 0 0 "[ . 1 . 2]" 1
547 1 24 VAL QG 1 82 TYR QE 0.000 . 4.000 2.740 2.361 3.387 . 0 0 "[ . 1 . 2]" 1
548 1 46 GLU HA 1 48 ASP H 0.000 . 4.000 3.600 3.552 3.667 . 0 0 "[ . 1 . 2]" 1
549 1 45 LEU HA 1 54 ILE HB 0.000 . 5.000 4.844 4.747 4.961 . 0 0 "[ . 1 . 2]" 1
550 1 59 PHE H 1 67 TYR HA 0.000 . 4.000 2.866 2.529 3.025 . 0 0 "[ . 1 . 2]" 1
551 1 3 VAL MG1 1 121 TYR QD 0.000 . 6.000 4.430 2.935 5.787 . 0 0 "[ . 1 . 2]" 1
552 1 23 PHE QD 1 24 VAL QG 0.000 . 4.000 1.942 1.713 2.385 . 0 0 "[ . 1 . 2]" 1
553 1 67 TYR HA 1 68 VAL QG 0.000 . 4.000 3.343 3.097 3.553 . 0 0 "[ . 1 . 2]" 1
554 1 3 VAL MG1 1 120 LYS HB2 0.000 . 6.000 4.569 3.152 5.585 . 0 0 "[ . 1 . 2]" 1
555 1 97 GLU HA 1 124 LYS H 0.000 . 6.000 5.362 4.853 5.970 . 0 0 "[ . 1 . 2]" 1
556 1 3 VAL MG1 1 99 ILE HA 0.000 . 6.000 5.907 4.956 6.926 0.926 11 3 "[ . -1+ * . 2]" 1
557 1 3 VAL MG1 1 123 THR H 0.000 . 6.000 4.690 3.761 5.404 . 0 0 "[ . 1 . 2]" 1
558 1 39 VAL QG 1 57 ILE MD 0.000 . 6.000 3.501 2.879 3.897 . 0 0 "[ . 1 . 2]" 1
559 1 59 PHE QD 1 67 TYR HA 0.000 . 4.000 2.185 1.875 2.602 . 0 0 "[ . 1 . 2]" 1
560 1 39 VAL QG 1 59 PHE QD 0.000 . 6.000 3.091 2.250 4.161 . 0 0 "[ . 1 . 2]" 1
561 1 27 ALA HA 1 31 ILE H 0.000 . 6.000 3.075 2.627 3.737 . 0 0 "[ . 1 . 2]" 1
562 1 27 ALA HA 1 31 ILE MD 0.000 . 4.000 3.282 2.486 3.930 . 0 0 "[ . 1 . 2]" 1
563 1 39 VAL QG 1 42 ALA MB 0.000 . 6.000 3.271 3.013 3.566 . 0 0 "[ . 1 . 2]" 1
564 1 39 VAL QG 1 59 PHE QB 0.000 . 6.000 3.983 2.704 4.489 . 0 0 "[ . 1 . 2]" 1
565 1 83 SER HA 1 102 GLU QB 0.000 . 5.000 4.041 3.834 4.228 . 0 0 "[ . 1 . 2]" 1
566 1 50 GLY H 1 53 THR MG 0.000 . 4.000 2.655 2.304 2.822 . 0 0 "[ . 1 . 2]" 1
567 1 52 GLY H 1 53 THR MG 0.000 . 6.000 5.829 5.770 5.886 . 0 0 "[ . 1 . 2]" 1
568 1 46 GLU H 1 53 THR MG 0.000 . 4.000 3.153 2.990 3.285 . 0 0 "[ . 1 . 2]" 1
569 1 45 LEU H 1 53 THR MG 0.000 . 5.000 4.174 3.903 4.437 . 0 0 "[ . 1 . 2]" 1
570 1 47 GLY HA3 1 53 THR MG 0.000 . 5.000 2.014 1.845 2.305 . 0 0 "[ . 1 . 2]" 1
571 1 83 SER HA 1 103 THR H 0.000 . 4.000 2.667 2.432 3.041 . 0 0 "[ . 1 . 2]" 1
572 1 73 HIS HD2 1 84 TYR HA 0.000 . 4.000 3.106 2.772 3.321 . 0 0 "[ . 1 . 2]" 1
573 1 83 SER HA 1 84 TYR H 0.000 . 3.000 2.221 2.196 2.248 . 0 0 "[ . 1 . 2]" 1
574 1 73 HIS QB 1 84 TYR HA 0.000 . 4.000 3.868 3.735 3.997 . 0 0 "[ . 1 . 2]" 1
575 1 53 THR MG 1 55 LYS QE 0.000 . 4.000 2.920 2.075 4.001 0.001 12 0 "[ . 1 . 2]" 1
576 1 40 LYS QD 1 59 PHE HA 0.000 . 6.000 5.745 4.580 6.006 0.006 19 0 "[ . 1 . 2]" 1
577 1 5 THR MG 1 121 TYR QD 0.000 . 6.000 5.934 5.524 6.006 0.006 17 0 "[ . 1 . 2]" 1
578 1 81 THR MG 1 83 SER HA 0.000 . 5.000 4.528 4.382 4.698 . 0 0 "[ . 1 . 2]" 1
579 1 3 VAL MG1 1 5 THR MG 0.000 . 6.000 5.147 4.632 5.776 . 0 0 "[ . 1 . 2]" 1
580 1 38 ALA MB 1 59 PHE HA 0.000 . 6.000 5.361 4.962 5.667 . 0 0 "[ . 1 . 2]" 1
581 1 121 TYR QD 1 123 THR MG 0.000 . 6.000 4.712 2.329 6.009 0.009 11 0 "[ . 1 . 2]" 1
582 1 92 LEU QD 1 97 GLU HA 0.000 . 6.000 4.146 1.843 4.816 . 0 0 "[ . 1 . 2]" 1
583 1 76 ASP HB2 1 81 THR MG 0.000 . 5.000 3.772 3.607 3.978 . 0 0 "[ . 1 . 2]" 1
584 1 5 THR MG 1 120 LYS QD 0.000 . 4.000 3.196 2.726 3.587 . 0 0 "[ . 1 . 2]" 1
585 1 32 PRO QG 1 41 CYS HA 0.000 . 5.000 4.103 3.265 4.483 . 0 0 "[ . 1 . 2]" 1
586 1 103 THR MG 1 145 PHE QD 0.000 . 5.000 4.917 4.642 5.011 0.011 5 0 "[ . 1 . 2]" 1
587 1 52 GLY QA 1 73 HIS HA 0.000 . 4.000 3.708 3.375 3.949 . 0 0 "[ . 1 . 2]" 1
588 1 58 THR MG 1 67 TYR QD 0.000 . 6.000 4.369 3.753 4.892 . 0 0 "[ . 1 . 2]" 1
589 1 103 THR MG 1 117 THR H 0.000 . 6.000 5.563 5.239 5.774 . 0 0 "[ . 1 . 2]" 1
590 1 5 THR MG 1 118 THR MG 0.000 . 3.000 1.654 1.581 1.778 . 0 0 "[ . 1 . 2]" 1
591 1 58 THR MG 1 68 VAL H 0.000 . 6.000 5.453 4.499 5.676 . 0 0 "[ . 1 . 2]" 1
592 1 101 TYR HA 1 101 TYR QD 0.000 . 3.000 2.711 2.585 2.798 . 0 0 "[ . 1 . 2]" 1
593 1 72 ILE MG 1 73 HIS HA 0.000 . 5.000 4.081 3.970 4.223 . 0 0 "[ . 1 . 2]" 1
594 1 52 GLY H 1 73 HIS HA 0.000 . 4.000 2.991 2.758 3.365 . 0 0 "[ . 1 . 2]" 1
595 1 28 ASP H 1 42 ALA MB 0.000 . 6.000 5.882 5.285 6.008 0.008 18 0 "[ . 1 . 2]" 1
596 1 101 TYR HA 1 102 GLU H 0.000 . 3.000 2.243 2.215 2.274 . 0 0 "[ . 1 . 2]" 1
597 1 68 VAL QG 1 90 ASP HA 0.000 . 5.000 4.399 4.115 4.749 . 0 0 "[ . 1 . 2]" 1
598 1 28 ASP HA 1 42 ALA MB 0.000 . 4.000 3.564 2.881 3.971 . 0 0 "[ . 1 . 2]" 1
599 1 28 ASP QB 1 42 ALA MB 0.000 . 4.000 3.866 3.586 4.005 0.005 5 0 "[ . 1 . 2]" 1
600 1 42 ALA MB 1 57 ILE MD 0.000 . 4.000 3.264 3.002 3.462 . 0 0 "[ . 1 . 2]" 1
601 1 32 PRO QB 1 42 ALA MB 0.000 . 5.000 3.452 3.128 3.838 . 0 0 "[ . 1 . 2]" 1
602 1 121 TYR HB2 1 123 THR MG 0.000 . 6.000 4.355 3.695 5.603 . 0 0 "[ . 1 . 2]" 1
603 1 90 ASP HA 1 92 LEU H 0.000 . 5.000 4.010 3.689 4.238 . 0 0 "[ . 1 . 2]" 1
604 1 67 TYR H 1 90 ASP HA 0.000 . 5.000 4.685 4.042 4.975 . 0 0 "[ . 1 . 2]" 1
605 1 144 LEU H 1 147 LEU QD 0.000 . 6.000 4.298 3.684 5.697 . 0 0 "[ . 1 . 2]" 1
606 1 144 LEU QB 1 147 LEU QD 0.000 . 5.000 3.989 3.660 4.733 . 0 0 "[ . 1 . 2]" 1
607 1 82 TYR HB2 1 103 THR MG 0.000 . 6.000 4.181 3.848 4.483 . 0 0 "[ . 1 . 2]" 1
608 1 93 SER HA 1 96 ILE H 0.000 . 5.000 4.938 4.800 5.022 0.022 12 0 "[ . 1 . 2]" 1
609 1 89 GLY H 1 93 SER HA 0.000 . 6.000 5.410 4.972 5.935 . 0 0 "[ . 1 . 2]" 1
610 1 4 TYR HA 1 5 THR H 0.000 . 3.000 2.288 2.229 2.366 . 0 0 "[ . 1 . 2]" 1
611 1 147 LEU QD 1 151 TYR HA 0.000 . 6.000 5.510 4.826 5.827 . 0 0 "[ . 1 . 2]" 1
612 1 24 VAL QG 1 77 LYS HA 0.000 . 5.000 4.505 4.279 4.801 . 0 0 "[ . 1 . 2]" 1
613 1 85 SER HA 1 99 ILE HA 0.000 . 6.000 5.670 5.505 5.887 . 0 0 "[ . 1 . 2]" 1
614 1 93 SER HA 1 94 GLU QG 0.000 . 4.000 3.675 3.520 3.796 . 0 0 "[ . 1 . 2]" 1
615 1 14 ILE HA 1 15 PRO HD3 0.000 . 3.000 2.288 2.242 2.319 . 0 0 "[ . 1 . 2]" 1
616 1 146 LYS HA 1 147 LEU QD 0.000 . 6.000 4.551 3.982 5.621 . 0 0 "[ . 1 . 2]" 1
617 1 19 LEU HA 1 23 PHE QD 0.000 . 6.000 5.871 5.531 5.999 . 0 0 "[ . 1 . 2]" 1
618 1 19 LEU HA 1 22 ALA H 0.000 . 6.000 3.495 3.362 3.634 . 0 0 "[ . 1 . 2]" 1
619 1 77 LYS HA 1 80 HIS HD2 0.000 . 5.000 4.839 4.404 5.006 0.006 4 0 "[ . 1 . 2]" 1
620 1 24 VAL QG 1 25 LEU HA 0.000 . 5.000 3.225 3.010 3.541 . 0 0 "[ . 1 . 2]" 1
621 1 144 LEU HA 1 146 LYS QB 0.000 . 6.000 4.710 4.585 4.902 . 0 0 "[ . 1 . 2]" 1
622 1 144 LEU HA 1 147 LEU QB 0.000 . 6.000 2.921 2.675 3.148 . 0 0 "[ . 1 . 2]" 1
623 1 93 SER H 1 93 SER HA 0.000 . 3.000 2.350 2.344 2.366 . 0 0 "[ . 1 . 2]" 1
624 1 77 LYS HA 1 79 ASN H 0.000 . 5.000 4.528 4.423 4.760 . 0 0 "[ . 1 . 2]" 1
625 1 29 ASN H 1 30 LEU HA 0.000 . 5.000 4.904 4.740 4.977 . 0 0 "[ . 1 . 2]" 1
626 1 151 TYR HA 1 152 LEU QD 0.000 . 6.000 4.541 4.050 5.040 . 0 0 "[ . 1 . 2]" 1
627 1 25 LEU HA 1 49 GLY HA3 0.000 . 6.000 5.381 4.214 5.919 . 0 0 "[ . 1 . 2]" 1
628 1 92 LEU QD 1 99 ILE MG 0.000 . 6.000 4.291 3.801 4.739 . 0 0 "[ . 1 . 2]" 1
629 1 86 LEU QD 1 92 LEU QD 0.000 . 3.000 1.526 1.437 1.594 . 0 0 "[ . 1 . 2]" 1
630 1 74 SER HA 1 75 ILE H 0.000 . 3.000 2.322 2.251 2.386 . 0 0 "[ . 1 . 2]" 1
631 1 92 LEU QD 1 93 SER H 0.000 . 4.000 3.641 3.385 3.865 . 0 0 "[ . 1 . 2]" 1
632 1 74 SER HA 1 75 ILE HG12 0.000 . 6.000 3.978 3.896 4.068 . 0 0 "[ . 1 . 2]" 1
633 1 89 GLY H 1 92 LEU QD 0.000 . 3.000 2.677 2.264 2.966 . 0 0 "[ . 1 . 2]" 1
634 1 74 SER HA 1 75 ILE MG 0.000 . 4.000 3.319 3.180 3.437 . 0 0 "[ . 1 . 2]" 1
635 1 23 PHE HA 1 27 ALA MB 0.000 . 4.000 3.489 2.299 3.704 . 0 0 "[ . 1 . 2]" 1
636 1 92 LEU QD 1 99 ILE HG13 0.000 . 5.000 2.627 1.975 3.029 . 0 0 "[ . 1 . 2]" 1
637 1 90 ASP H 1 92 LEU QD 0.000 . 6.000 4.240 3.642 4.901 . 0 0 "[ . 1 . 2]" 1
638 1 129 ILE QG 1 133 HIS HA 0.000 . 6.000 5.344 5.058 5.961 . 0 0 "[ . 1 . 2]" 1
639 1 33 LYS HA 1 35 ALA H 0.000 . 5.000 4.244 3.911 4.519 . 0 0 "[ . 1 . 2]" 1
640 1 19 LEU MD2 1 115 ILE MD 0.000 . 5.000 2.214 1.788 3.479 . 0 0 "[ . 1 . 2]" 1
641 1 20 PHE QB 1 113 THR MG 0.000 . 6.000 5.414 5.091 5.699 . 0 0 "[ . 1 . 2]" 1
642 1 19 LEU MD2 1 145 PHE QD 0.000 . 5.000 4.232 3.148 4.885 . 0 0 "[ . 1 . 2]" 1
643 1 19 LEU MD2 1 145 PHE QE 0.000 . 6.000 4.403 3.088 5.661 . 0 0 "[ . 1 . 2]" 1
644 1 19 LEU MD2 1 105 LEU HA 0.000 . 6.000 5.161 4.497 5.871 . 0 0 "[ . 1 . 2]" 1
645 1 133 HIS HA 1 136 ALA MB 0.000 . 3.000 2.752 2.623 2.881 . 0 0 "[ . 1 . 2]" 1
646 1 68 VAL QG 1 89 GLY QA 0.000 . 3.000 1.631 1.521 1.761 . 0 0 "[ . 1 . 2]" 1
647 1 19 LEU MD2 1 23 PHE H 0.000 . 6.000 5.148 3.236 5.920 . 0 0 "[ . 1 . 2]" 1
648 1 19 LEU MD2 1 23 PHE HB3 0.000 . 6.000 4.363 2.167 5.377 . 0 0 "[ . 1 . 2]" 1
649 1 11 THR HB 1 113 THR MG 0.000 . 6.000 5.633 5.302 6.002 0.002 10 0 "[ . 1 . 2]" 1
650 1 12 SER HB3 1 113 THR MG 0.000 . 6.000 5.212 4.235 5.763 . 0 0 "[ . 1 . 2]" 1
651 1 19 LEU MD2 1 23 PHE QD 0.000 . 5.000 3.697 2.873 4.157 . 0 0 "[ . 1 . 2]" 1
652 1 12 SER HB2 1 113 THR MG 0.000 . 6.000 5.427 4.195 5.997 . 0 0 "[ . 1 . 2]" 1
653 1 66 GLY HA2 1 68 VAL QG 0.000 . 6.000 5.168 4.517 5.741 . 0 0 "[ . 1 . 2]" 1
654 1 68 VAL QG 1 88 GLU HA 0.000 . 6.000 4.588 4.074 5.268 . 0 0 "[ . 1 . 2]" 1
655 1 14 ILE MG 1 18 LYS HA 0.000 . 5.000 4.074 3.882 4.345 . 0 0 "[ . 1 . 2]" 1
656 1 22 ALA HA 1 25 LEU MD1 0.000 . 6.000 5.562 4.628 6.227 0.227 3 0 "[ . 1 . 2]" 1
657 1 34 ILE MG 1 144 LEU QD 0.000 . 5.000 2.477 1.794 3.065 . 0 0 "[ . 1 . 2]" 1
658 1 67 TYR QD 1 68 VAL QG 0.000 . 5.000 4.271 4.144 4.363 . 0 0 "[ . 1 . 2]" 1
659 1 113 THR MG 1 115 ILE MD 0.000 . 4.000 3.413 3.115 3.874 . 0 0 "[ . 1 . 2]" 1
660 1 68 VAL QG 1 90 ASP H 0.000 . 3.000 2.135 1.776 2.568 . 0 0 "[ . 1 . 2]" 1
661 1 12 SER H 1 19 LEU MD2 0.000 . 6.000 5.316 4.657 6.893 0.893 3 2 "[ + . 1 -. 2]" 1
662 1 68 VAL QG 1 86 LEU QD 0.000 . 4.000 1.842 1.520 2.575 . 0 0 "[ . 1 . 2]" 1
663 1 68 VAL QG 1 92 LEU HB2 0.000 . 6.000 4.626 4.072 5.024 . 0 0 "[ . 1 . 2]" 1
664 1 68 VAL QG 1 91 ALA H 0.000 . 4.000 3.057 2.730 3.420 . 0 0 "[ . 1 . 2]" 1
665 1 45 LEU MD1 1 46 GLU HA 0.000 . 6.000 5.581 5.244 5.889 . 0 0 "[ . 1 . 2]" 1
666 1 68 VAL HA 1 90 ASP H 0.000 . 4.000 3.838 3.615 4.013 0.013 13 0 "[ . 1 . 2]" 1
667 1 16 ALA H 1 113 THR MG 0.000 . 5.000 2.313 1.987 2.601 . 0 0 "[ . 1 . 2]" 1
668 1 17 PRO QD 1 18 LYS HA 0.000 . 6.000 5.505 5.460 5.525 . 0 0 "[ . 1 . 2]" 1
669 1 129 ILE HA 1 130 LYS H 0.000 . 3.000 2.514 2.502 2.529 . 0 0 "[ . 1 . 2]" 1
670 1 143 HIS HA 1 146 LYS QB 0.000 . 4.000 3.013 2.720 3.360 . 0 0 "[ . 1 . 2]" 1
671 1 19 LEU MD1 1 23 PHE QD 0.000 . 6.000 3.734 3.287 4.552 . 0 0 "[ . 1 . 2]" 1
672 1 19 LEU MD1 1 115 ILE MD 0.000 . 6.000 3.822 2.170 4.559 . 0 0 "[ . 1 . 2]" 1
673 1 68 VAL HA 1 88 GLU HA 0.000 . 6.000 4.993 4.803 5.164 . 0 0 "[ . 1 . 2]" 1
674 1 67 TYR QD 1 68 VAL HA 0.000 . 4.000 3.640 3.528 3.745 . 0 0 "[ . 1 . 2]" 1
675 1 68 VAL HA 1 69 LYS H 0.000 . 3.000 2.291 2.244 2.349 . 0 0 "[ . 1 . 2]" 1
676 1 138 LYS HA 1 141 ALA H 0.000 . 4.000 3.544 3.469 3.672 . 0 0 "[ . 1 . 2]" 1
677 1 131 GLU HA 1 134 VAL MG1 0.000 . 5.000 4.228 4.032 4.464 . 0 0 "[ . 1 . 2]" 1
678 1 45 LEU MD2 1 54 ILE H 0.000 . 6.000 5.240 4.855 5.676 . 0 0 "[ . 1 . 2]" 1
679 1 107 SER HA 1 113 THR H 0.000 . 5.000 4.851 4.627 4.957 . 0 0 "[ . 1 . 2]" 1
680 1 105 LEU QD 1 106 VAL HA 0.000 . 6.000 5.032 4.971 5.180 . 0 0 "[ . 1 . 2]" 1
681 1 54 ILE HA 1 71 LYS HA 0.000 . 3.000 2.651 2.429 2.858 . 0 0 "[ . 1 . 2]" 1
682 1 54 ILE HA 1 55 LYS HD2 0.000 . 6.000 5.962 5.620 6.541 0.541 12 3 "[ . 1*+ . - 2]" 1
683 1 54 ILE HA 1 55 LYS H 0.000 . 3.000 2.208 2.193 2.229 . 0 0 "[ . 1 . 2]" 1
684 1 54 ILE HA 1 72 ILE QG 0.000 . 5.000 4.891 4.685 5.000 0.000 3 0 "[ . 1 . 2]" 1
685 1 107 SER HA 1 108 ALA H 0.000 . 3.000 2.295 2.252 2.337 . 0 0 "[ . 1 . 2]" 1
686 1 107 SER HA 1 113 THR HA 0.000 . 4.000 1.916 1.806 2.024 . 0 0 "[ . 1 . 2]" 1
687 1 107 SER HA 1 114 ILE H 0.000 . 4.000 2.451 1.928 2.835 . 0 0 "[ . 1 . 2]" 1
688 1 81 THR HB 1 104 LYS HG3 0.000 . 6.000 4.602 4.001 5.070 . 0 0 "[ . 1 . 2]" 1
689 1 123 THR HA 1 124 LYS H 0.000 . 3.000 2.346 2.259 2.424 . 0 0 "[ . 1 . 2]" 1
690 1 56 LYS QG 1 69 LYS H 0.000 . 6.000 5.305 4.881 5.451 . 0 0 "[ . 1 . 2]" 1
691 1 81 THR HA 1 105 LEU H 0.000 . 4.000 2.946 2.619 3.168 . 0 0 "[ . 1 . 2]" 1
692 1 138 LYS HA 1 142 ALA H 0.000 . 5.000 4.219 3.913 4.416 . 0 0 "[ . 1 . 2]" 1
693 1 81 THR H 1 104 LYS HG3 0.000 . 6.000 5.493 4.829 6.003 0.003 11 0 "[ . 1 . 2]" 1
694 1 40 LYS QG 1 41 CYS H 0.000 . 4.000 3.632 3.478 4.001 0.001 6 0 "[ . 1 . 2]" 1
695 1 67 TYR QD 1 69 LYS QG 0.000 . 6.000 2.585 2.251 3.058 . 0 0 "[ . 1 . 2]" 1
696 1 56 LYS QG 1 67 TYR HA 0.000 . 6.000 5.274 4.892 5.603 . 0 0 "[ . 1 . 2]" 1
697 1 103 THR HB 1 105 LEU QD 0.000 . 5.000 3.911 3.477 4.657 . 0 0 "[ . 1 . 2]" 1
698 1 107 SER HA 1 112 GLY HA2 0.000 . 6.000 5.964 5.813 6.099 0.099 8 0 "[ . 1 . 2]" 1
699 1 56 LYS QG 1 58 THR HB 0.000 . 6.000 5.360 5.206 5.609 . 0 0 "[ . 1 . 2]" 1
700 1 16 ALA HA 1 105 LEU QD 0.000 . 4.000 3.298 2.402 3.828 . 0 0 "[ . 1 . 2]" 1
701 1 105 LEU QD 1 113 THR HB 0.000 . 6.000 5.162 4.928 5.455 . 0 0 "[ . 1 . 2]" 1
702 1 82 TYR H 1 105 LEU QD 0.000 . 6.000 3.743 3.108 4.846 . 0 0 "[ . 1 . 2]" 1
703 1 81 THR HA 1 82 TYR H 0.000 . 3.000 2.227 2.199 2.260 . 0 0 "[ . 1 . 2]" 1
704 1 81 THR HA 1 104 LYS QE 0.000 . 6.000 5.227 4.753 5.557 . 0 0 "[ . 1 . 2]" 1
705 1 104 LYS HG2 1 116 LYS H 0.000 . 6.000 4.369 3.976 4.772 . 0 0 "[ . 1 . 2]" 1
706 1 81 THR HA 1 104 LYS HB2 0.000 . 5.000 4.322 3.885 4.692 . 0 0 "[ . 1 . 2]" 1
707 1 123 THR HA 1 124 LYS QB 0.000 . 5.000 4.476 4.197 4.735 . 0 0 "[ . 1 . 2]" 1
708 1 104 LYS HB3 1 105 LEU QD 0.000 . 6.000 4.455 4.150 4.952 . 0 0 "[ . 1 . 2]" 1
709 1 123 THR HA 1 124 LYS QD 0.000 . 6.000 5.698 4.400 6.083 0.083 18 0 "[ . 1 . 2]" 1
710 1 19 LEU QB 1 105 LEU QD 0.000 . 4.000 3.213 1.946 3.886 . 0 0 "[ . 1 . 2]" 1
711 1 21 LYS HA 1 25 LEU HG 0.000 . 6.000 4.694 2.217 6.008 0.008 3 0 "[ . 1 . 2]" 1
712 1 107 SER HA 1 114 ILE MD 0.000 . 5.000 4.675 3.887 5.001 0.001 1 0 "[ . 1 . 2]" 1
713 1 68 VAL QG 1 69 LYS QG 0.000 . 6.000 4.140 3.926 4.362 . 0 0 "[ . 1 . 2]" 1
714 1 68 VAL H 1 69 LYS QG 0.000 . 6.000 4.527 4.363 4.806 . 0 0 "[ . 1 . 2]" 1
715 1 48 ASP HB3 1 50 GLY H 0.000 . 6.000 5.321 4.226 5.823 . 0 0 "[ . 1 . 2]" 1
716 1 47 GLY HA3 1 50 GLY H 0.000 . 6.000 2.981 2.924 3.050 . 0 0 "[ . 1 . 2]" 1
717 1 50 GLY H 1 72 ILE HB 0.000 . 6.000 4.255 4.073 4.609 . 0 0 "[ . 1 . 2]" 1
718 1 48 ASP HB2 1 50 GLY H 0.000 . 6.000 4.727 4.368 5.604 . 0 0 "[ . 1 . 2]" 1
719 1 110 HIS QB 1 112 GLY H 0.000 . 6.000 2.846 2.570 4.870 . 0 0 "[ . 1 . 2]" 1
720 1 108 ALA MB 1 112 GLY H 0.000 . 4.000 3.714 3.059 4.011 0.011 19 0 "[ . 1 . 2]" 1
721 1 110 HIS HA 1 112 GLY H 0.000 . 5.000 4.378 3.425 4.565 . 0 0 "[ . 1 . 2]" 1
722 1 108 ALA H 1 112 GLY H 0.000 . 6.000 4.290 4.116 4.567 . 0 0 "[ . 1 . 2]" 1
723 1 42 ALA MB 1 57 ILE H 0.000 . 6.000 5.211 4.958 5.508 . 0 0 "[ . 1 . 2]" 1
724 1 57 ILE H 1 69 LYS HA 0.000 . 6.000 2.940 2.657 3.273 . 0 0 "[ . 1 . 2]" 1
725 1 111 GLY H 1 112 GLY HA2 0.000 . 5.000 4.955 4.619 5.011 0.011 3 0 "[ . 1 . 2]" 1
726 1 111 GLY H 1 112 GLY H 0.000 . 3.000 2.469 2.326 2.627 . 0 0 "[ . 1 . 2]" 1
727 1 57 ILE H 1 68 VAL HB 0.000 . 6.000 4.761 4.090 5.757 . 0 0 "[ . 1 . 2]" 1
728 1 110 HIS QB 1 111 GLY H 0.000 . 4.000 3.120 2.974 3.619 . 0 0 "[ . 1 . 2]" 1
729 1 108 ALA H 1 111 GLY H 0.000 . 5.000 4.056 3.821 4.232 . 0 0 "[ . 1 . 2]" 1
730 1 77 LYS HA 1 81 THR H 0.000 . 5.000 4.169 4.004 4.396 . 0 0 "[ . 1 . 2]" 1
731 1 79 ASN HB3 1 81 THR H 0.000 . 5.000 4.293 4.060 4.528 . 0 0 "[ . 1 . 2]" 1
732 1 81 THR H 1 105 LEU QD 0.000 . 6.000 4.635 4.211 5.531 . 0 0 "[ . 1 . 2]" 1
733 1 79 ASN H 1 81 THR H 0.000 . 4.000 3.893 3.805 4.009 0.009 15 0 "[ . 1 . 2]" 1
734 1 81 THR H 1 105 LEU QB 0.000 . 6.000 5.383 4.763 5.781 . 0 0 "[ . 1 . 2]" 1
735 1 76 ASP H 1 81 THR H 0.000 . 4.000 3.266 3.089 3.391 . 0 0 "[ . 1 . 2]" 1
736 1 79 ASN HA 1 81 THR H 0.000 . 5.000 4.799 4.622 4.957 . 0 0 "[ . 1 . 2]" 1
737 1 80 HIS H 1 81 THR H 0.000 . 3.000 2.907 2.743 2.998 . 0 0 "[ . 1 . 2]" 1
738 1 75 ILE HB 1 81 THR H 0.000 . 6.000 5.767 5.493 5.912 . 0 0 "[ . 1 . 2]" 1
739 1 75 ILE HA 1 81 THR H 0.000 . 6.000 5.333 5.134 5.491 . 0 0 "[ . 1 . 2]" 1
740 1 76 ASP HA 1 81 THR H 0.000 . 5.000 4.572 4.321 4.715 . 0 0 "[ . 1 . 2]" 1
741 1 22 ALA H 1 23 PHE H 0.000 . 4.000 2.467 2.313 2.648 . 0 0 "[ . 1 . 2]" 1
742 1 23 PHE H 1 24 VAL QG 0.000 . 5.000 3.735 3.282 4.136 . 0 0 "[ . 1 . 2]" 1
743 1 20 PHE H 1 23 PHE H 0.000 . 6.000 4.574 4.431 4.861 . 0 0 "[ . 1 . 2]" 1
744 1 123 THR MG 1 125 GLY H 0.000 . 5.000 4.654 4.216 5.032 0.032 4 0 "[ . 1 . 2]" 1
745 1 23 PHE H 1 26 ASP H 0.000 . 6.000 4.315 3.867 4.680 . 0 0 "[ . 1 . 2]" 1
746 1 125 GLY H 1 126 ASP QB 0.000 . 6.000 4.878 4.607 5.321 . 0 0 "[ . 1 . 2]" 1
747 1 123 THR HB 1 125 GLY H 0.000 . 4.000 3.239 2.711 3.571 . 0 0 "[ . 1 . 2]" 1
748 1 124 LYS H 1 125 GLY H 0.000 . 4.000 2.798 2.541 3.041 . 0 0 "[ . 1 . 2]" 1
749 1 47 GLY H 1 48 ASP H 0.000 . 3.000 2.991 2.857 3.009 0.009 13 0 "[ . 1 . 2]" 1
750 1 47 GLY H 1 53 THR MG 0.000 . 5.000 3.803 3.720 3.888 . 0 0 "[ . 1 . 2]" 1
751 1 47 GLY H 1 49 GLY H 0.000 . 6.000 5.328 5.195 5.601 . 0 0 "[ . 1 . 2]" 1
752 1 74 SER H 1 82 TYR QE 0.000 . 6.000 5.807 5.653 5.965 . 0 0 "[ . 1 . 2]" 1
753 1 73 HIS QB 1 74 SER H 0.000 . 3.000 2.465 2.389 2.843 . 0 0 "[ . 1 . 2]" 1
754 1 74 SER H 1 84 TYR HA 0.000 . 5.000 4.298 4.050 4.412 . 0 0 "[ . 1 . 2]" 1
755 1 49 GLY H 1 53 THR MG 0.000 . 3.000 1.799 1.723 1.868 . 0 0 "[ . 1 . 2]" 1
756 1 49 GLY H 1 50 GLY H 0.000 . 3.000 2.360 2.292 2.452 . 0 0 "[ . 1 . 2]" 1
757 1 47 GLY HA3 1 49 GLY H 0.000 . 4.000 3.527 3.337 4.003 0.003 16 0 "[ . 1 . 2]" 1
758 1 73 HIS HD2 1 74 SER H 0.000 . 5.000 4.802 4.639 4.942 . 0 0 "[ . 1 . 2]" 1
759 1 74 SER H 1 84 TYR HB3 0.000 . 6.000 5.487 5.117 5.671 . 0 0 "[ . 1 . 2]" 1
760 1 49 GLY H 1 72 ILE HB 0.000 . 6.000 5.459 5.139 5.696 . 0 0 "[ . 1 . 2]" 1
761 1 49 GLY H 1 72 ILE MD 0.000 . 5.000 3.099 2.856 3.266 . 0 0 "[ . 1 . 2]" 1
762 1 87 ILE MG 1 89 GLY H 0.000 . 6.000 5.683 5.035 5.849 . 0 0 "[ . 1 . 2]" 1
763 1 88 GLU HA 1 89 GLY H 0.000 . 3.000 2.386 2.282 2.491 . 0 0 "[ . 1 . 2]" 1
764 1 89 GLY H 1 92 LEU HB3 0.000 . 5.000 4.037 3.510 4.668 . 0 0 "[ . 1 . 2]" 1
765 1 58 THR HA 1 68 VAL H 0.000 . 4.000 3.911 3.612 4.004 0.004 6 0 "[ . 1 . 2]" 1
766 1 57 ILE HB 1 68 VAL H 0.000 . 4.000 2.674 2.397 2.868 . 0 0 "[ . 1 . 2]" 1
767 1 37 GLN H 1 37 GLN HE21 0.000 . 6.000 5.009 3.762 5.319 . 0 0 "[ . 1 . 2]" 1
768 1 57 ILE MD 1 68 VAL H 0.000 . 4.000 3.983 3.903 4.023 0.023 15 0 "[ . 1 . 2]" 1
769 1 67 TYR HA 1 68 VAL H 0.000 . 3.000 2.276 2.257 2.316 . 0 0 "[ . 1 . 2]" 1
770 1 59 PHE QD 1 68 VAL H 0.000 . 4.000 3.511 3.182 3.899 . 0 0 "[ . 1 . 2]" 1
771 1 57 ILE H 1 68 VAL H 0.000 . 4.000 3.228 2.989 3.462 . 0 0 "[ . 1 . 2]" 1
772 1 34 ILE H 1 34 ILE HG12 0.000 . 4.000 3.296 1.995 3.582 . 0 0 "[ . 1 . 2]" 1
773 1 32 PRO HA 1 34 ILE H 0.000 . 5.000 4.369 4.207 4.652 . 0 0 "[ . 1 . 2]" 1
774 1 34 ILE H 1 35 ALA H 0.000 . 3.000 2.559 2.418 2.658 . 0 0 "[ . 1 . 2]" 1
775 1 39 VAL QG 1 41 CYS H 0.000 . 5.000 2.492 1.846 3.595 . 0 0 "[ . 1 . 2]" 1
776 1 40 LYS H 1 41 CYS H 0.000 . 3.000 2.618 2.569 2.680 . 0 0 "[ . 1 . 2]" 1
777 1 41 CYS H 1 58 THR MG 0.000 . 6.000 4.895 4.258 5.567 . 0 0 "[ . 1 . 2]" 1
778 1 41 CYS H 1 59 PHE HA 0.000 . 6.000 5.205 4.762 5.430 . 0 0 "[ . 1 . 2]" 1
779 1 40 LYS QB 1 41 CYS H 0.000 . 3.000 2.388 2.289 2.498 . 0 0 "[ . 1 . 2]" 1
780 1 33 LYS H 1 35 ALA H 0.000 . 4.000 3.925 3.751 4.010 0.010 12 0 "[ . 1 . 2]" 1
781 1 31 ILE HA 1 33 LYS H 0.000 . 5.000 4.136 3.923 4.342 . 0 0 "[ . 1 . 2]" 1
782 1 95 ASN H 1 95 ASN HD22 0.000 . 5.000 4.278 3.923 4.528 . 0 0 "[ . 1 . 2]" 1
783 1 33 LYS H 1 36 PRO HD3 0.000 . 5.000 4.922 4.662 5.002 0.002 9 0 "[ . 1 . 2]" 1
784 1 33 LYS H 1 34 ILE H 0.000 . 3.000 2.573 2.400 2.709 . 0 0 "[ . 1 . 2]" 1
785 1 31 ILE MG 1 33 LYS H 0.000 . 5.000 4.474 4.200 4.646 . 0 0 "[ . 1 . 2]" 1
786 1 95 ASN HD22 1 127 VAL HB 0.000 . 6.000 5.724 4.654 6.024 0.024 6 0 "[ . 1 . 2]" 1
787 1 11 THR H 1 115 ILE MD 0.000 . 6.000 5.160 4.812 5.423 . 0 0 "[ . 1 . 2]" 1
788 1 27 ALA HA 1 29 ASN H 0.000 . 5.000 4.139 3.866 4.313 . 0 0 "[ . 1 . 2]" 1
789 1 11 THR H 1 114 ILE MG 0.000 . 5.000 4.381 3.985 4.814 . 0 0 "[ . 1 . 2]" 1
790 1 29 ASN H 1 31 ILE MD 0.000 . 5.000 4.594 4.376 4.761 . 0 0 "[ . 1 . 2]" 1
791 1 11 THR H 1 114 ILE HA 0.000 . 5.000 4.524 4.262 4.758 . 0 0 "[ . 1 . 2]" 1
792 1 26 ASP HA 1 29 ASN H 0.000 . 5.000 3.278 3.063 3.514 . 0 0 "[ . 1 . 2]" 1
793 1 23 PHE H 1 24 VAL H 0.000 . 3.000 2.367 2.177 2.499 . 0 0 "[ . 1 . 2]" 1
794 1 22 ALA H 1 24 VAL H 0.000 . 5.000 4.073 3.738 4.481 . 0 0 "[ . 1 . 2]" 1
795 1 23 PHE HB3 1 24 VAL H 0.000 . 4.000 3.078 2.734 3.663 . 0 0 "[ . 1 . 2]" 1
796 1 24 VAL H 1 24 VAL QG 0.000 . 3.000 2.472 1.869 2.909 . 0 0 "[ . 1 . 2]" 1
797 1 24 VAL H 1 27 ALA MB 0.000 . 5.000 3.605 2.786 3.788 . 0 0 "[ . 1 . 2]" 1
798 1 93 SER HA 1 95 ASN H 0.000 . 5.000 4.057 3.859 4.231 . 0 0 "[ . 1 . 2]" 1
799 1 92 LEU HB3 1 95 ASN H 0.000 . 6.000 5.832 5.379 6.014 0.014 18 0 "[ . 1 . 2]" 1
800 1 95 ASN H 1 96 ILE H 0.000 . 3.000 2.252 1.868 2.601 . 0 0 "[ . 1 . 2]" 1
801 1 73 HIS HD2 1 85 SER H 0.000 . 4.000 3.911 3.719 4.005 0.005 1 0 "[ . 1 . 2]" 1
802 1 71 LYS HB3 1 85 SER H 0.000 . 5.000 3.625 3.097 3.889 . 0 0 "[ . 1 . 2]" 1
803 1 72 ILE HA 1 85 SER H 0.000 . 4.000 3.264 2.941 3.471 . 0 0 "[ . 1 . 2]" 1
804 1 72 ILE MD 1 85 SER H 0.000 . 6.000 5.974 5.854 6.028 0.028 7 0 "[ . 1 . 2]" 1
805 1 72 ILE QG 1 85 SER H 0.000 . 5.000 4.374 4.262 4.428 . 0 0 "[ . 1 . 2]" 1
806 1 52 GLY H 1 72 ILE QG 0.000 . 6.000 5.133 4.824 5.254 . 0 0 "[ . 1 . 2]" 1
807 1 52 GLY H 1 74 SER HA 0.000 . 5.000 4.388 3.979 4.616 . 0 0 "[ . 1 . 2]" 1
808 1 52 GLY H 1 53 THR H 0.000 . 3.000 2.529 2.459 2.615 . 0 0 "[ . 1 . 2]" 1
809 1 76 ASP HB3 1 79 ASN H 0.000 . 5.000 2.296 2.245 2.342 . 0 0 "[ . 1 . 2]" 1
810 1 52 GLY H 1 71 LYS QD 0.000 . 6.000 5.602 5.388 5.891 . 0 0 "[ . 1 . 2]" 1
811 1 77 LYS QG 1 79 ASN H 0.000 . 6.000 5.681 5.617 5.847 . 0 0 "[ . 1 . 2]" 1
812 1 77 LYS H 1 79 ASN H 0.000 . 5.000 4.183 4.033 4.268 . 0 0 "[ . 1 . 2]" 1
813 1 78 VAL H 1 79 ASN H 0.000 . 3.000 2.581 2.426 2.631 . 0 0 "[ . 1 . 2]" 1
814 1 78 VAL HB 1 79 ASN H 0.000 . 3.000 2.612 2.462 2.695 . 0 0 "[ . 1 . 2]" 1
815 1 79 ASN H 1 79 ASN HD21 0.000 . 4.000 3.105 2.480 3.199 . 0 0 "[ . 1 . 2]" 1
816 1 76 ASP HA 1 79 ASN H 0.000 . 5.000 3.866 3.815 3.922 . 0 0 "[ . 1 . 2]" 1
817 1 76 ASP H 1 79 ASN H 0.000 . 6.000 5.266 5.162 5.596 . 0 0 "[ . 1 . 2]" 1
818 1 28 ASP H 1 30 LEU QB 0.000 . 5.000 4.789 4.531 5.004 0.004 10 0 "[ . 1 . 2]" 1
819 1 28 ASP H 1 29 ASN H 0.000 . 3.000 2.647 2.466 2.830 . 0 0 "[ . 1 . 2]" 1
820 1 28 ASP H 1 31 ILE H 0.000 . 5.000 4.662 4.445 4.880 . 0 0 "[ . 1 . 2]" 1
821 1 28 ASP H 1 29 ASN QB 0.000 . 5.000 4.687 4.496 4.961 . 0 0 "[ . 1 . 2]" 1
822 1 26 ASP HA 1 28 ASP H 0.000 . 5.000 3.788 3.359 4.118 . 0 0 "[ . 1 . 2]" 1
823 1 47 GLY HA3 1 48 ASP H 0.000 . 3.000 2.835 2.816 2.908 . 0 0 "[ . 1 . 2]" 1
824 1 48 ASP H 1 50 GLY H 0.000 . 4.000 3.996 3.907 4.008 0.008 20 0 "[ . 1 . 2]" 1
825 1 48 ASP H 1 53 THR MG 0.000 . 4.000 2.021 1.980 2.062 . 0 0 "[ . 1 . 2]" 1
826 1 46 GLU HB2 1 48 ASP H 0.000 . 6.000 5.363 5.254 5.458 . 0 0 "[ . 1 . 2]" 1
827 1 48 ASP H 1 49 GLY H 0.000 . 3.000 2.730 2.672 3.006 0.006 16 0 "[ . 1 . 2]" 1
828 1 59 PHE QD 1 67 TYR H 0.000 . 5.000 4.061 3.483 4.649 . 0 0 "[ . 1 . 2]" 1
829 1 67 TYR H 1 67 TYR QD 0.000 . 3.000 2.724 2.518 2.983 . 0 0 "[ . 1 . 2]" 1
830 1 59 PHE H 1 67 TYR H 0.000 . 5.000 4.849 4.398 5.004 0.004 8 0 "[ . 1 . 2]" 1
831 1 58 THR MG 1 67 TYR H 0.000 . 6.000 5.474 4.734 5.975 . 0 0 "[ . 1 . 2]" 1
832 1 12 SER H 1 115 ILE H 0.000 . 5.000 4.415 4.112 4.861 . 0 0 "[ . 1 . 2]" 1
833 1 12 SER H 1 114 ILE MG 0.000 . 6.000 5.125 4.658 5.478 . 0 0 "[ . 1 . 2]" 1
834 1 12 SER H 1 113 THR HB 0.000 . 5.000 3.372 3.071 3.660 . 0 0 "[ . 1 . 2]" 1
835 1 12 SER H 1 114 ILE HA 0.000 . 5.000 3.469 3.031 3.824 . 0 0 "[ . 1 . 2]" 1
836 1 37 GLN H 1 39 VAL QG 0.000 . 6.000 4.908 4.617 5.163 . 0 0 "[ . 1 . 2]" 1
837 1 36 PRO HD3 1 37 GLN H 0.000 . 4.000 3.868 3.849 3.885 . 0 0 "[ . 1 . 2]" 1
838 1 37 GLN H 1 38 ALA H 0.000 . 3.000 2.510 2.449 2.596 . 0 0 "[ . 1 . 2]" 1
839 1 76 ASP H 1 80 HIS H 0.000 . 6.000 5.358 5.158 5.517 . 0 0 "[ . 1 . 2]" 1
840 1 12 SER H 1 149 GLU QG 0.000 . 6.000 5.499 4.722 5.788 . 0 0 "[ . 1 . 2]" 1
841 1 35 ALA H 1 37 GLN H 0.000 . 6.000 5.381 5.257 5.576 . 0 0 "[ . 1 . 2]" 1
842 1 76 ASP HB2 1 80 HIS H 0.000 . 5.000 4.175 3.653 4.374 . 0 0 "[ . 1 . 2]" 1
843 1 79 ASN H 1 80 HIS H 0.000 . 4.000 2.529 2.446 2.594 . 0 0 "[ . 1 . 2]" 1
844 1 76 ASP HB3 1 80 HIS H 0.000 . 5.000 4.003 3.450 4.314 . 0 0 "[ . 1 . 2]" 1
845 1 80 HIS H 1 105 LEU QB 0.000 . 6.000 5.726 5.216 6.002 0.002 13 0 "[ . 1 . 2]" 1
846 1 78 VAL HB 1 80 HIS H 0.000 . 5.000 4.657 4.519 4.710 . 0 0 "[ . 1 . 2]" 1
847 1 77 LYS QG 1 80 HIS H 0.000 . 6.000 5.355 5.244 5.428 . 0 0 "[ . 1 . 2]" 1
848 1 20 PHE QD 1 80 HIS H 0.000 . 6.000 5.117 4.977 5.351 . 0 0 "[ . 1 . 2]" 1
849 1 80 HIS H 1 80 HIS HD2 0.000 . 5.000 4.156 3.816 4.386 . 0 0 "[ . 1 . 2]" 1
850 1 77 LYS HA 1 80 HIS H 0.000 . 5.000 3.480 3.368 3.570 . 0 0 "[ . 1 . 2]" 1
851 1 78 VAL QG 1 80 HIS H 0.000 . 5.000 4.174 4.128 4.225 . 0 0 "[ . 1 . 2]" 1
852 1 76 ASP HA 1 80 HIS H 0.000 . 6.000 5.183 4.824 5.392 . 0 0 "[ . 1 . 2]" 1
853 1 29 ASN QB 1 31 ILE H 0.000 . 5.000 4.783 4.605 4.935 . 0 0 "[ . 1 . 2]" 1
854 1 90 ASP H 1 93 SER H 0.000 . 5.000 4.908 4.626 5.007 0.007 16 0 "[ . 1 . 2]" 1
855 1 92 LEU H 1 93 SER H 0.000 . 3.000 2.433 2.328 2.606 . 0 0 "[ . 1 . 2]" 1
856 1 31 ILE H 1 33 LYS H 0.000 . 6.000 3.859 3.722 3.997 . 0 0 "[ . 1 . 2]" 1
857 1 92 LEU HB3 1 93 SER H 0.000 . 4.000 3.758 3.303 4.038 0.038 18 0 "[ . 1 . 2]" 1
858 1 86 LEU HA 1 87 ILE H 0.000 . 3.000 2.204 2.187 2.234 . 0 0 "[ . 1 . 2]" 1
859 1 87 ILE H 1 88 GLU H 0.000 . 3.000 2.826 2.630 3.005 0.005 9 0 "[ . 1 . 2]" 1
860 1 91 ALA HA 1 93 SER H 0.000 . 5.000 4.387 4.034 4.790 . 0 0 "[ . 1 . 2]" 1
861 1 70 HIS HA 1 87 ILE H 0.000 . 3.000 2.527 2.119 2.876 . 0 0 "[ . 1 . 2]" 1
862 1 25 LEU H 1 77 LYS QE 0.000 . 6.000 5.680 5.191 5.994 . 0 0 "[ . 1 . 2]" 1
863 1 25 LEU H 1 26 ASP H 0.000 . 4.000 2.711 2.546 3.067 . 0 0 "[ . 1 . 2]" 1
864 1 21 LYS QB 1 25 LEU H 0.000 . 6.000 4.705 4.236 5.778 . 0 0 "[ . 1 . 2]" 1
865 1 18 LYS H 1 19 LEU H 0.000 . 4.000 2.694 2.541 2.768 . 0 0 "[ . 1 . 2]" 1
866 1 15 PRO HD2 1 18 LYS H 0.000 . 5.000 4.014 3.869 4.212 . 0 0 "[ . 1 . 2]" 1
867 1 18 LYS H 1 20 PHE H 0.000 . 5.000 4.027 3.897 4.176 . 0 0 "[ . 1 . 2]" 1
868 1 15 PRO HA 1 18 LYS H 0.000 . 5.000 4.796 4.681 4.872 . 0 0 "[ . 1 . 2]" 1
869 1 46 GLU H 1 54 ILE H 0.000 . 3.000 2.590 2.471 2.724 . 0 0 "[ . 1 . 2]" 1
870 1 46 GLU H 1 55 LYS H 0.000 . 6.000 5.653 5.406 5.779 . 0 0 "[ . 1 . 2]" 1
871 1 144 LEU H 1 145 PHE H 0.000 . 4.000 2.748 2.619 2.881 . 0 0 "[ . 1 . 2]" 1
872 1 145 PHE H 1 146 LYS QB 0.000 . 6.000 4.625 4.550 4.803 . 0 0 "[ . 1 . 2]" 1
873 1 143 HIS QB 1 145 PHE H 0.000 . 5.000 4.775 4.492 4.937 . 0 0 "[ . 1 . 2]" 1
874 1 151 TYR QD 1 155 HIS H 0.000 . 6.000 5.260 4.737 5.971 . 0 0 "[ . 1 . 2]" 1
875 1 152 LEU QD 1 155 HIS H 0.000 . 5.000 4.691 4.454 4.821 . 0 0 "[ . 1 . 2]" 1
876 1 153 LYS QB 1 155 HIS H 0.000 . 5.000 4.673 4.359 4.974 . 0 0 "[ . 1 . 2]" 1
877 1 153 LYS H 1 155 HIS H 0.000 . 5.000 4.096 3.703 4.611 . 0 0 "[ . 1 . 2]" 1
878 1 36 PRO HA 1 39 VAL H 0.000 . 4.000 3.581 3.177 3.814 . 0 0 "[ . 1 . 2]" 1
879 1 39 VAL H 1 59 PHE HA 0.000 . 6.000 5.108 4.710 5.336 . 0 0 "[ . 1 . 2]" 1
880 1 132 GLU H 1 132 GLU QG 0.000 . 3.000 2.149 2.094 2.209 . 0 0 "[ . 1 . 2]" 1
881 1 36 PRO QB 1 39 VAL H 0.000 . 6.000 5.007 4.620 5.157 . 0 0 "[ . 1 . 2]" 1
882 1 37 GLN H 1 39 VAL H 0.000 . 5.000 4.315 3.978 4.559 . 0 0 "[ . 1 . 2]" 1
883 1 90 ASP H 1 92 LEU H 0.000 . 5.000 4.075 3.897 4.240 . 0 0 "[ . 1 . 2]" 1
884 1 90 ASP HB3 1 92 LEU H 0.000 . 6.000 5.259 4.672 5.682 . 0 0 "[ . 1 . 2]" 1
885 1 35 ALA MB 1 39 VAL H 0.000 . 4.000 3.824 3.482 3.990 . 0 0 "[ . 1 . 2]" 1
886 1 38 ALA H 1 39 VAL H 0.000 . 3.000 2.593 2.278 2.764 . 0 0 "[ . 1 . 2]" 1
887 1 86 LEU QD 1 92 LEU H 0.000 . 5.000 4.105 3.851 4.517 . 0 0 "[ . 1 . 2]" 1
888 1 91 ALA H 1 92 LEU H 0.000 . 3.000 2.529 2.329 2.697 . 0 0 "[ . 1 . 2]" 1
889 1 32 PRO QB 1 39 VAL H 0.000 . 6.000 5.067 4.768 5.418 . 0 0 "[ . 1 . 2]" 1
890 1 68 VAL QG 1 92 LEU H 0.000 . 5.000 3.902 3.761 4.052 . 0 0 "[ . 1 . 2]" 1
891 1 78 VAL HB 1 79 ASN HD21 0.000 . 5.000 4.151 3.445 4.271 . 0 0 "[ . 1 . 2]" 1
892 1 79 ASN HD21 1 81 THR MG 0.000 . 6.000 5.539 5.432 5.951 . 0 0 "[ . 1 . 2]" 1
893 1 78 VAL QG 1 79 ASN HD22 0.000 . 4.000 3.865 3.769 3.886 . 0 0 "[ . 1 . 2]" 1
894 1 78 VAL H 1 79 ASN HD22 0.000 . 6.000 5.425 5.053 5.554 . 0 0 "[ . 1 . 2]" 1
895 1 78 VAL QG 1 79 ASN HD21 0.000 . 5.000 4.369 3.614 4.480 . 0 0 "[ . 1 . 2]" 1
896 1 77 LYS H 1 79 ASN HD21 0.000 . 6.000 5.661 5.028 5.806 . 0 0 "[ . 1 . 2]" 1
897 1 78 VAL HB 1 79 ASN HD22 0.000 . 4.000 3.907 3.357 4.000 0.000 2 0 "[ . 1 . 2]" 1
898 1 79 ASN H 1 79 ASN HD22 0.000 . 4.000 3.817 3.498 3.880 . 0 0 "[ . 1 . 2]" 1
899 1 78 VAL H 1 79 ASN HD21 0.000 . 5.000 4.883 4.081 4.998 . 0 0 "[ . 1 . 2]" 1
900 1 140 LYS H 1 143 HIS H 0.000 . 5.000 4.698 4.542 4.839 . 0 0 "[ . 1 . 2]" 1
901 1 69 LYS H 1 88 GLU H 0.000 . 3.000 2.521 2.275 2.717 . 0 0 "[ . 1 . 2]" 1
902 1 69 LYS H 1 86 LEU QD 0.000 . 3.000 2.718 2.350 2.948 . 0 0 "[ . 1 . 2]" 1
903 1 21 LYS H 1 23 PHE H 0.000 . 5.000 3.761 3.643 3.944 . 0 0 "[ . 1 . 2]" 1
904 1 67 TYR QD 1 69 LYS H 0.000 . 5.000 4.362 4.079 4.642 . 0 0 "[ . 1 . 2]" 1
905 1 21 LYS H 1 80 HIS HD2 0.000 . 6.000 5.277 4.783 5.824 . 0 0 "[ . 1 . 2]" 1
906 1 139 GLU QB 1 143 HIS H 0.000 . 5.000 4.718 4.302 5.004 0.004 12 0 "[ . 1 . 2]" 1
907 1 57 ILE HB 1 69 LYS H 0.000 . 6.000 5.549 5.137 6.008 0.008 9 0 "[ . 1 . 2]" 1
908 1 90 ASP H 1 91 ALA H 0.000 . 4.000 2.749 2.621 2.918 . 0 0 "[ . 1 . 2]" 1
909 1 21 LYS H 1 22 ALA H 0.000 . 3.000 2.746 2.638 2.971 . 0 0 "[ . 1 . 2]" 1
910 1 144 LEU H 1 146 LYS QB 0.000 . 6.000 5.012 4.846 5.204 . 0 0 "[ . 1 . 2]" 1
911 1 69 LYS H 1 86 LEU HA 0.000 . 6.000 5.220 4.837 5.513 . 0 0 "[ . 1 . 2]" 1
912 1 86 LEU QD 1 91 ALA H 0.000 . 5.000 4.600 4.269 4.858 . 0 0 "[ . 1 . 2]" 1
913 1 17 PRO QD 1 20 PHE H 0.000 . 6.000 4.895 4.828 5.026 . 0 0 "[ . 1 . 2]" 1
914 1 20 PHE H 1 21 LYS H 0.000 . 3.000 2.677 2.541 2.835 . 0 0 "[ . 1 . 2]" 1
915 1 20 PHE H 1 21 LYS QB 0.000 . 5.000 4.566 4.387 4.800 . 0 0 "[ . 1 . 2]" 1
916 1 19 LEU QB 1 20 PHE H 0.000 . 3.000 2.772 2.580 2.903 . 0 0 "[ . 1 . 2]" 1
917 1 17 PRO HG2 1 20 PHE H 0.000 . 6.000 5.538 5.430 5.718 . 0 0 "[ . 1 . 2]" 1
918 1 19 LEU H 1 20 PHE H 0.000 . 3.000 2.421 2.403 2.522 . 0 0 "[ . 1 . 2]" 1
919 1 17 PRO QB 1 19 LEU H 0.000 . 6.000 4.811 4.700 4.952 . 0 0 "[ . 1 . 2]" 1
920 1 144 LEU H 1 145 PHE HB2 0.000 . 5.000 4.839 4.630 5.005 0.005 2 0 "[ . 1 . 2]" 1
921 1 143 HIS QB 1 144 LEU H 0.000 . 3.000 2.499 2.277 2.752 . 0 0 "[ . 1 . 2]" 1
922 1 50 GLY H 1 53 THR H 0.000 . 5.000 4.317 4.107 4.597 . 0 0 "[ . 1 . 2]" 1
923 1 50 GLY HA2 1 53 THR H 0.000 . 6.000 5.527 5.254 5.803 . 0 0 "[ . 1 . 2]" 1
924 1 17 PRO QD 1 19 LEU H 0.000 . 6.000 4.259 4.182 4.357 . 0 0 "[ . 1 . 2]" 1
925 1 22 ALA H 1 23 PHE HB3 0.000 . 5.000 4.730 4.529 4.940 . 0 0 "[ . 1 . 2]" 1
926 1 15 PRO HD2 1 19 LEU H 0.000 . 6.000 4.225 4.003 4.638 . 0 0 "[ . 1 . 2]" 1
927 1 49 GLY H 1 53 THR H 0.000 . 6.000 5.627 5.537 5.725 . 0 0 "[ . 1 . 2]" 1
928 1 53 THR H 1 73 HIS HA 0.000 . 6.000 5.038 4.818 5.404 . 0 0 "[ . 1 . 2]" 1
929 1 77 LYS H 1 78 VAL H 0.000 . 4.000 2.639 2.294 2.692 . 0 0 "[ . 1 . 2]" 1
930 1 78 VAL H 1 78 VAL HB 0.000 . 3.000 2.437 2.387 2.936 . 0 0 "[ . 1 . 2]" 1
931 1 76 ASP HB3 1 78 VAL H 0.000 . 6.000 3.763 3.523 3.889 . 0 0 "[ . 1 . 2]" 1
932 1 78 VAL H 1 79 ASN HB3 0.000 . 6.000 6.230 6.015 6.278 0.278 9 0 "[ . 1 . 2]" 1
933 1 76 ASP HB2 1 78 VAL H 0.000 . 5.000 4.942 4.720 5.107 0.107 4 0 "[ . 1 . 2]" 1
934 1 78 VAL H 1 81 THR H 0.000 . 6.000 5.264 5.032 5.321 . 0 0 "[ . 1 . 2]" 1
935 1 153 LYS H 1 154 ASP H 0.000 . 3.000 2.737 2.574 2.876 . 0 0 "[ . 1 . 2]" 1
936 1 123 THR HB 1 127 VAL H 0.000 . 4.000 3.310 1.944 4.001 0.001 2 0 "[ . 1 . 2]" 1
937 1 139 GLU H 1 141 ALA H 0.000 . 5.000 4.272 4.147 4.329 . 0 0 "[ . 1 . 2]" 1
938 1 143 HIS QB 1 146 LYS H 0.000 . 6.000 5.003 4.675 5.254 . 0 0 "[ . 1 . 2]" 1
939 1 146 LYS H 1 148 ILE H 0.000 . 5.000 4.196 4.027 4.323 . 0 0 "[ . 1 . 2]" 1
940 1 135 LYS QD 1 139 GLU H 0.000 . 6.000 5.797 4.744 6.001 0.001 10 0 "[ . 1 . 2]" 1
941 1 139 GLU H 1 140 LYS H 0.000 . 3.000 2.709 2.637 2.835 . 0 0 "[ . 1 . 2]" 1
942 1 139 GLU H 1 142 ALA MB 0.000 . 5.000 4.707 4.494 4.892 . 0 0 "[ . 1 . 2]" 1
943 1 126 ASP H 1 127 VAL H 0.000 . 4.000 2.347 1.852 2.812 . 0 0 "[ . 1 . 2]" 1
944 1 86 LEU QD 1 90 ASP H 0.000 . 6.000 4.847 4.500 5.333 . 0 0 "[ . 1 . 2]" 1
945 1 143 HIS HA 1 146 LYS H 0.000 . 4.000 3.546 3.376 3.878 . 0 0 "[ . 1 . 2]" 1
946 1 133 HIS H 1 136 ALA MB 0.000 . 5.000 4.830 4.698 5.002 0.002 1 0 "[ . 1 . 2]" 1
947 1 15 PRO HA 1 113 THR H 0.000 . 6.000 5.291 5.100 5.493 . 0 0 "[ . 1 . 2]" 1
948 1 95 ASN QB 1 127 VAL H 0.000 . 6.000 4.823 3.996 5.549 . 0 0 "[ . 1 . 2]" 1
949 1 112 GLY HA2 1 113 THR H 0.000 . 3.000 2.586 2.481 3.015 0.015 20 0 "[ . 1 . 2]" 1
950 1 13 ASP HA 1 113 THR H 0.000 . 4.000 3.785 3.582 3.989 . 0 0 "[ . 1 . 2]" 1
951 1 113 THR H 1 113 THR HB 0.000 . 3.000 2.641 2.588 2.704 . 0 0 "[ . 1 . 2]" 1
952 1 11 THR HA 1 113 THR H 0.000 . 5.000 4.660 4.387 4.820 . 0 0 "[ . 1 . 2]" 1
953 1 12 SER H 1 113 THR H 0.000 . 4.000 3.152 2.846 3.378 . 0 0 "[ . 1 . 2]" 1
954 1 123 THR HA 1 127 VAL H 0.000 . 6.000 5.309 4.309 5.889 . 0 0 "[ . 1 . 2]" 1
955 1 3 VAL H 1 3 VAL MG2 0.000 . 3.000 3.341 2.781 3.886 0.886 16 9 "[ *. **-** **.+ 2]" 1
956 1 12 SER HB2 1 113 THR H 0.000 . 6.000 5.828 4.952 6.043 0.043 4 0 "[ . 1 . 2]" 1
957 1 5 THR H 1 118 THR MG 0.000 . 6.000 5.423 5.326 5.580 . 0 0 "[ . 1 . 2]" 1
958 1 3 VAL MG1 1 5 THR H 0.000 . 5.000 4.640 4.245 5.096 0.096 13 0 "[ . 1 . 2]" 1
959 1 108 ALA H 1 113 THR H 0.000 . 5.000 4.892 4.738 5.011 0.011 17 0 "[ . 1 . 2]" 1
960 1 124 LYS HA 1 126 ASP H 0.000 . 6.000 5.596 4.658 6.001 0.001 2 0 "[ . 1 . 2]" 1
961 1 151 TYR HB2 1 153 LYS H 0.000 . 6.000 5.497 4.773 6.010 0.010 18 0 "[ . 1 . 2]" 1
962 1 8 ASN H 1 117 THR HB 0.000 . 5.000 3.733 3.186 4.973 . 0 0 "[ . 1 . 2]" 1
963 1 7 GLU HA 1 8 ASN H 0.000 . 3.000 2.233 2.213 2.262 . 0 0 "[ . 1 . 2]" 1
964 1 7 GLU QG 1 8 ASN H 0.000 . 4.000 2.506 2.371 2.630 . 0 0 "[ . 1 . 2]" 1
965 1 8 ASN H 1 117 THR H 0.000 . 4.000 2.747 2.450 3.035 . 0 0 "[ . 1 . 2]" 1
966 1 8 ASN H 1 117 THR MG 0.000 . 5.000 4.409 4.088 4.773 . 0 0 "[ . 1 . 2]" 1
967 1 86 LEU H 1 99 ILE H 0.000 . 4.000 2.818 2.570 3.120 . 0 0 "[ . 1 . 2]" 1
968 1 139 GLU QG 1 140 LYS H 0.000 . 4.000 3.876 3.643 4.002 0.002 14 0 "[ . 1 . 2]" 1
969 1 139 GLU QB 1 140 LYS H 0.000 . 3.000 2.516 2.339 2.641 . 0 0 "[ . 1 . 2]" 1
970 1 137 GLY HA3 1 140 LYS H 0.000 . 5.000 4.650 4.545 4.750 . 0 0 "[ . 1 . 2]" 1
971 1 140 LYS H 1 142 ALA MB 0.000 . 5.000 4.869 4.740 4.983 . 0 0 "[ . 1 . 2]" 1
972 1 133 HIS QB 1 134 VAL H 0.000 . 3.000 2.525 2.419 2.656 . 0 0 "[ . 1 . 2]" 1
973 1 86 LEU HB3 1 99 ILE H 0.000 . 4.000 2.722 2.417 3.115 . 0 0 "[ . 1 . 2]" 1
974 1 134 VAL H 1 135 LYS H 0.000 . 3.000 2.685 2.638 2.769 . 0 0 "[ . 1 . 2]" 1
975 1 14 ILE QG 1 152 LEU H 0.000 . 6.000 5.118 4.262 5.620 . 0 0 "[ . 1 . 2]" 1
976 1 131 GLU HA 1 134 VAL H 0.000 . 4.000 3.312 3.201 3.427 . 0 0 "[ . 1 . 2]" 1
977 1 133 HIS H 1 134 VAL H 0.000 . 3.000 2.637 2.526 2.709 . 0 0 "[ . 1 . 2]" 1
978 1 99 ILE H 1 99 ILE HG13 0.000 . 4.000 2.679 2.425 2.891 . 0 0 "[ . 1 . 2]" 1
979 1 142 ALA H 1 143 HIS QB 0.000 . 5.000 4.528 4.343 4.734 . 0 0 "[ . 1 . 2]" 1
980 1 41 CYS QB 1 43 GLU H 0.000 . 5.000 4.939 4.704 5.003 0.003 5 0 "[ . 1 . 2]" 1
981 1 101 TYR H 1 101 TYR QD 0.000 . 3.000 2.942 2.825 3.005 0.005 2 0 "[ . 1 . 2]" 1
982 1 95 ASN HD22 1 96 ILE H 0.000 . 6.000 5.665 4.246 6.030 0.030 6 0 "[ . 1 . 2]" 1
983 1 92 LEU HA 1 96 ILE H 0.000 . 6.000 4.308 3.773 4.571 . 0 0 "[ . 1 . 2]" 1
984 1 86 LEU H 1 101 TYR H 0.000 . 5.000 4.185 3.966 4.369 . 0 0 "[ . 1 . 2]" 1
985 1 86 LEU HA 1 99 ILE H 0.000 . 5.000 4.604 4.238 4.952 . 0 0 "[ . 1 . 2]" 1
986 1 84 TYR H 1 101 TYR H 0.000 . 4.000 3.748 3.504 3.919 . 0 0 "[ . 1 . 2]" 1
987 1 43 GLU H 1 57 ILE MG 0.000 . 5.000 4.810 4.656 4.958 . 0 0 "[ . 1 . 2]" 1
988 1 43 GLU H 1 56 LYS H 0.000 . 4.000 3.014 2.828 3.460 . 0 0 "[ . 1 . 2]" 1
989 1 43 GLU H 1 57 ILE MD 0.000 . 6.000 5.458 5.281 5.680 . 0 0 "[ . 1 . 2]" 1
990 1 8 ASN HB3 1 117 THR H 0.000 . 5.000 3.228 2.606 3.652 . 0 0 "[ . 1 . 2]" 1
991 1 7 GLU QG 1 117 THR H 0.000 . 4.000 3.437 3.159 4.004 0.004 10 0 "[ . 1 . 2]" 1
992 1 8 ASN HB2 1 117 THR H 0.000 . 5.000 4.541 3.942 5.004 0.004 13 0 "[ . 1 . 2]" 1
993 1 7 GLU HA 1 117 THR H 0.000 . 5.000 4.538 4.220 4.981 . 0 0 "[ . 1 . 2]" 1
994 1 115 ILE MG 1 117 THR H 0.000 . 5.000 4.455 4.012 4.721 . 0 0 "[ . 1 . 2]" 1
995 1 135 LYS H 1 136 ALA H 0.000 . 4.000 2.755 2.691 2.803 . 0 0 "[ . 1 . 2]" 1
996 1 133 HIS HA 1 136 ALA H 0.000 . 5.000 3.571 3.492 3.708 . 0 0 "[ . 1 . 2]" 1
997 1 124 LYS H 1 127 VAL HB 0.000 . 5.000 4.186 2.801 5.006 0.006 7 0 "[ . 1 . 2]" 1
998 1 10 PHE H 1 116 LYS HG3 0.000 . 5.000 4.737 4.231 5.002 0.002 2 0 "[ . 1 . 2]" 1
999 1 135 LYS QE 1 136 ALA H 0.000 . 6.000 5.620 3.971 5.932 . 0 0 "[ . 1 . 2]" 1
1000 1 124 LYS H 1 127 VAL H 0.000 . 5.000 4.174 3.888 4.498 . 0 0 "[ . 1 . 2]" 1
1001 1 95 ASN QB 1 124 LYS H 0.000 . 6.000 4.791 4.494 5.240 . 0 0 "[ . 1 . 2]" 1
1002 1 124 LYS H 1 124 LYS QE 0.000 . 6.000 4.753 3.507 5.968 . 0 0 "[ . 1 . 2]" 1
1003 1 9 GLU HA 1 10 PHE H 0.000 . 3.000 2.213 2.193 2.269 . 0 0 "[ . 1 . 2]" 1
1004 1 134 VAL MG1 1 136 ALA H 0.000 . 6.000 4.986 4.838 5.070 . 0 0 "[ . 1 . 2]" 1
1005 1 10 PHE H 1 115 ILE H 0.000 . 4.000 2.988 2.750 3.349 . 0 0 "[ . 1 . 2]" 1
1006 1 133 HIS QB 1 136 ALA H 0.000 . 6.000 4.980 4.850 5.101 . 0 0 "[ . 1 . 2]" 1
1007 1 147 LEU H 1 148 ILE H 0.000 . 4.000 2.661 2.549 2.800 . 0 0 "[ . 1 . 2]" 1
1008 1 135 LYS H 1 136 ALA MB 0.000 . 5.000 4.358 4.293 4.426 . 0 0 "[ . 1 . 2]" 1
1009 1 131 GLU HA 1 135 LYS H 0.000 . 4.000 3.970 3.779 4.010 0.010 18 0 "[ . 1 . 2]" 1
1010 1 34 ILE MD 1 148 ILE H 0.000 . 4.000 3.100 2.630 3.538 . 0 0 "[ . 1 . 2]" 1
1011 1 8 ASN HA 1 9 GLU H 0.000 . 3.000 2.235 2.196 2.397 . 0 0 "[ . 1 . 2]" 1
1012 1 8 ASN HD21 1 9 GLU H 0.000 . 5.000 4.531 3.376 5.000 0.000 1 0 "[ . 1 . 2]" 1
1013 1 148 ILE H 1 149 GLU H 0.000 . 4.000 2.865 2.701 2.960 . 0 0 "[ . 1 . 2]" 1
1014 1 146 LYS HA 1 148 ILE H 0.000 . 5.000 4.386 4.174 4.577 . 0 0 "[ . 1 . 2]" 1
1015 1 107 SER H 1 114 ILE H 0.000 . 6.000 4.388 4.104 4.555 . 0 0 "[ . 1 . 2]" 1
1016 1 75 ILE HA 1 83 SER H 0.000 . 4.000 2.987 2.759 3.113 . 0 0 "[ . 1 . 2]" 1
1017 1 82 TYR QD 1 83 SER H 0.000 . 4.000 3.617 3.468 3.707 . 0 0 "[ . 1 . 2]" 1
1018 1 83 SER H 1 84 TYR QD 0.000 . 5.000 4.718 4.466 4.888 . 0 0 "[ . 1 . 2]" 1
1019 1 74 SER H 1 83 SER H 0.000 . 4.000 3.691 3.545 3.857 . 0 0 "[ . 1 . 2]" 1
1020 1 82 TYR QE 1 83 SER H 0.000 . 5.000 4.498 4.333 4.622 . 0 0 "[ . 1 . 2]" 1
1021 1 81 THR MG 1 83 SER H 0.000 . 5.000 4.240 4.092 4.352 . 0 0 "[ . 1 . 2]" 1
1022 1 70 HIS HA 1 88 GLU H 0.000 . 5.000 4.829 4.413 5.009 0.009 19 0 "[ . 1 . 2]" 1
1023 1 88 GLU H 1 92 LEU QD 0.000 . 6.000 3.700 3.303 4.178 . 0 0 "[ . 1 . 2]" 1
1024 1 86 LEU HA 1 88 GLU H 0.000 . 5.000 4.673 4.030 4.968 . 0 0 "[ . 1 . 2]" 1
1025 1 141 ALA H 1 142 ALA H 0.000 . 4.000 2.698 2.551 2.812 . 0 0 "[ . 1 . 2]" 1
1026 1 140 LYS H 1 141 ALA H 0.000 . 4.000 2.790 2.696 2.866 . 0 0 "[ . 1 . 2]" 1
1027 1 102 GLU H 1 117 THR HA 0.000 . 5.000 4.596 4.178 4.992 . 0 0 "[ . 1 . 2]" 1
1028 1 101 TYR QD 1 102 GLU H 0.000 . 4.000 3.731 3.597 3.966 . 0 0 "[ . 1 . 2]" 1
1029 1 102 GLU H 1 118 THR MG 0.000 . 5.000 4.585 4.298 4.743 . 0 0 "[ . 1 . 2]" 1
1030 1 102 GLU H 1 103 THR HA 0.000 . 5.000 4.802 4.727 4.881 . 0 0 "[ . 1 . 2]" 1
1031 1 151 TYR H 1 152 LEU QB 0.000 . 5.000 4.754 4.580 4.955 . 0 0 "[ . 1 . 2]" 1
1032 1 148 ILE HA 1 151 TYR H 0.000 . 4.000 3.437 3.141 3.932 . 0 0 "[ . 1 . 2]" 1
1033 1 8 ASN H 1 119 SER H 0.000 . 6.000 5.088 4.703 5.521 . 0 0 "[ . 1 . 2]" 1
1034 1 7 GLU HA 1 119 SER H 0.000 . 4.000 3.758 3.547 4.003 0.003 19 0 "[ . 1 . 2]" 1
1035 1 149 GLU QB 1 151 TYR H 0.000 . 5.000 4.631 4.405 4.978 . 0 0 "[ . 1 . 2]" 1
1036 1 6 TYR H 1 119 SER H 0.000 . 4.000 2.949 2.691 3.242 . 0 0 "[ . 1 . 2]" 1
1037 1 118 THR MG 1 119 SER H 0.000 . 3.000 2.314 2.092 2.520 . 0 0 "[ . 1 . 2]" 1
1038 1 5 THR MG 1 119 SER H 0.000 . 4.000 3.107 2.827 3.519 . 0 0 "[ . 1 . 2]" 1
1039 1 57 ILE HA 1 58 THR H 0.000 . 3.000 2.216 2.196 2.244 . 0 0 "[ . 1 . 2]" 1
1040 1 39 VAL QG 1 58 THR H 0.000 . 5.000 3.315 2.558 4.273 . 0 0 "[ . 1 . 2]" 1
1041 1 41 CYS H 1 58 THR H 0.000 . 4.000 3.176 2.784 3.780 . 0 0 "[ . 1 . 2]" 1
1042 1 42 ALA MB 1 58 THR H 0.000 . 6.000 4.995 4.673 5.332 . 0 0 "[ . 1 . 2]" 1
1043 1 77 LYS H 1 80 HIS H 0.000 . 5.000 4.780 4.497 4.939 . 0 0 "[ . 1 . 2]" 1
1044 1 5 THR MG 1 7 GLU H 0.000 . 5.000 4.553 4.381 4.730 . 0 0 "[ . 1 . 2]" 1
1045 1 40 LYS QB 1 58 THR H 0.000 . 5.000 3.803 3.268 4.232 . 0 0 "[ . 1 . 2]" 1
1046 1 77 LYS H 1 78 VAL QG 0.000 . 6.000 4.152 3.161 4.289 . 0 0 "[ . 1 . 2]" 1
1047 1 69 LYS HA 1 70 HIS H 0.000 . 3.000 2.266 2.237 2.349 . 0 0 "[ . 1 . 2]" 1
1048 1 57 ILE MD 1 70 HIS H 0.000 . 5.000 4.101 3.412 4.515 . 0 0 "[ . 1 . 2]" 1
1049 1 71 LYS H 1 84 TYR HB2 0.000 . 5.000 4.194 3.261 4.649 . 0 0 "[ . 1 . 2]" 1
1050 1 70 HIS HA 1 71 LYS H 0.000 . 3.000 2.262 2.212 2.469 . 0 0 "[ . 1 . 2]" 1
1051 1 73 HIS QB 1 84 TYR H 0.000 . 5.000 4.733 4.472 4.972 . 0 0 "[ . 1 . 2]" 1
1052 1 72 ILE HA 1 84 TYR H 0.000 . 5.000 4.848 4.567 4.940 . 0 0 "[ . 1 . 2]" 1
1053 1 84 TYR H 1 102 GLU QG 0.000 . 4.000 3.950 3.700 4.004 0.004 18 0 "[ . 1 . 2]" 1
1054 1 84 TYR H 1 101 TYR HB2 0.000 . 5.000 3.415 3.232 3.862 . 0 0 "[ . 1 . 2]" 1
1055 1 84 TYR H 1 101 TYR QD 0.000 . 6.000 5.169 5.013 5.393 . 0 0 "[ . 1 . 2]" 1
1056 1 73 HIS HD2 1 84 TYR H 0.000 . 5.000 3.830 3.536 4.174 . 0 0 "[ . 1 . 2]" 1
1057 1 84 TYR H 1 101 TYR HB3 0.000 . 5.000 4.081 3.890 4.716 . 0 0 "[ . 1 . 2]" 1
1058 1 26 ASP H 1 27 ALA H 0.000 . 3.000 2.497 2.315 2.682 . 0 0 "[ . 1 . 2]" 1
1059 1 27 ALA H 1 28 ASP H 0.000 . 3.000 2.592 2.544 2.649 . 0 0 "[ . 1 . 2]" 1
1060 1 84 TYR H 1 103 THR H 0.000 . 5.000 4.273 4.087 4.548 . 0 0 "[ . 1 . 2]" 1
1061 1 25 LEU HA 1 27 ALA H 0.000 . 4.000 3.902 3.807 4.012 0.012 2 0 "[ . 1 . 2]" 1
1062 1 106 VAL H 1 114 ILE H 0.000 . 4.000 3.837 3.567 4.010 0.010 2 0 "[ . 1 . 2]" 1
1063 1 38 ALA H 1 39 VAL QG 0.000 . 5.000 3.811 3.551 3.933 . 0 0 "[ . 1 . 2]" 1
1064 1 35 ALA MB 1 38 ALA H 0.000 . 4.000 3.106 2.900 3.347 . 0 0 "[ . 1 . 2]" 1
1065 1 106 VAL H 1 113 THR HA 0.000 . 6.000 5.172 4.852 5.507 . 0 0 "[ . 1 . 2]" 1
1066 1 35 ALA HA 1 38 ALA H 0.000 . 5.000 3.788 3.626 3.918 . 0 0 "[ . 1 . 2]" 1
1067 1 106 VAL H 1 106 VAL HB 0.000 . 3.000 2.758 2.710 2.853 . 0 0 "[ . 1 . 2]" 1
1068 1 16 ALA HA 1 106 VAL H 0.000 . 5.000 4.695 4.417 4.917 . 0 0 "[ . 1 . 2]" 1
1069 1 13 ASP HB3 1 14 ILE H 0.000 . 4.000 2.502 2.012 3.563 . 0 0 "[ . 1 . 2]" 1
1070 1 13 ASP HA 1 14 ILE H 0.000 . 3.000 2.655 2.584 2.669 . 0 0 "[ . 1 . 2]" 1
1071 1 13 ASP HB2 1 14 ILE H 0.000 . 4.000 3.532 2.053 3.821 . 0 0 "[ . 1 . 2]" 1
1072 1 14 ILE H 1 14 ILE QG 0.000 . 4.000 2.594 2.377 3.052 . 0 0 "[ . 1 . 2]" 1
1073 1 75 ILE H 1 82 TYR QD 0.000 . 6.000 5.783 5.644 6.000 . 0 0 "[ . 1 . 2]" 1
1074 1 100 ASP HB3 1 120 LYS H 0.000 . 5.000 3.750 2.774 4.755 . 0 0 "[ . 1 . 2]" 1
1075 1 99 ILE HA 1 120 LYS H 0.000 . 5.000 4.584 3.939 4.885 . 0 0 "[ . 1 . 2]" 1
1076 1 123 THR MG 1 129 ILE H 0.000 . 6.000 4.817 3.390 5.996 . 0 0 "[ . 1 . 2]" 1
1077 1 118 THR MG 1 120 LYS H 0.000 . 5.000 4.659 4.331 4.859 . 0 0 "[ . 1 . 2]" 1
1078 1 100 ASP HA 1 120 LYS H 0.000 . 5.000 4.678 4.321 5.023 0.023 4 0 "[ . 1 . 2]" 1
1079 1 99 ILE MG 1 120 LYS H 0.000 . 4.000 2.713 2.254 3.199 . 0 0 "[ . 1 . 2]" 1
1080 1 101 TYR QD 1 120 LYS H 0.000 . 5.000 4.599 4.271 4.990 . 0 0 "[ . 1 . 2]" 1
1081 1 56 LYS H 1 69 LYS QG 0.000 . 5.000 4.688 4.476 4.986 . 0 0 "[ . 1 . 2]" 1
1082 1 135 LYS H 1 138 LYS H 0.000 . 5.000 4.910 4.673 5.004 0.004 6 0 "[ . 1 . 2]" 1
1083 1 135 LYS HA 1 138 LYS H 0.000 . 4.000 3.390 3.303 3.542 . 0 0 "[ . 1 . 2]" 1
1084 1 45 LEU H 1 56 LYS H 0.000 . 5.000 4.051 3.858 4.219 . 0 0 "[ . 1 . 2]" 1
1085 1 35 ALA H 1 36 PRO HA 0.000 . 5.000 4.332 4.218 4.455 . 0 0 "[ . 1 . 2]" 1
1086 1 44 ILE HA 1 56 LYS H 0.000 . 4.000 3.295 2.933 3.486 . 0 0 "[ . 1 . 2]" 1
1087 1 56 LYS H 1 69 LYS HA 0.000 . 5.000 4.560 4.340 4.774 . 0 0 "[ . 1 . 2]" 1
1088 1 32 PRO HA 1 35 ALA H 0.000 . 4.000 3.390 3.256 3.596 . 0 0 "[ . 1 . 2]" 1
1089 1 59 PHE H 1 59 PHE QD 0.000 . 3.000 2.416 2.040 2.738 . 0 0 "[ . 1 . 2]" 1
1090 1 59 PHE H 1 68 VAL H 0.000 . 5.000 4.729 4.460 4.873 . 0 0 "[ . 1 . 2]" 1
1091 1 103 THR HB 1 105 LEU H 0.000 . 6.000 5.873 5.641 6.001 0.001 17 0 "[ . 1 . 2]" 1
1092 1 82 TYR H 1 105 LEU H 0.000 . 5.000 4.449 4.083 4.659 . 0 0 "[ . 1 . 2]" 1
1093 1 81 THR HB 1 105 LEU H 0.000 . 6.000 5.605 5.169 5.867 . 0 0 "[ . 1 . 2]" 1
1094 1 104 LYS QE 1 105 LEU H 0.000 . 5.000 4.578 4.397 4.791 . 0 0 "[ . 1 . 2]" 1
1095 1 59 PHE H 1 67 TYR QD 0.000 . 6.000 5.228 4.705 5.477 . 0 0 "[ . 1 . 2]" 1
1096 1 20 PHE QD 1 105 LEU H 0.000 . 5.000 4.122 3.740 4.898 . 0 0 "[ . 1 . 2]" 1
1097 1 105 LEU H 1 115 ILE MG 0.000 . 5.000 4.583 4.307 4.842 . 0 0 "[ . 1 . 2]" 1
1098 1 82 TYR H 1 104 LYS HG3 0.000 . 6.000 5.040 4.424 5.396 . 0 0 "[ . 1 . 2]" 1
1099 1 128 GLU H 1 129 ILE HB 0.000 . 6.000 5.229 3.711 5.826 . 0 0 "[ . 1 . 2]" 1
1100 1 128 GLU H 1 129 ILE MG 0.000 . 6.000 5.436 4.109 5.960 . 0 0 "[ . 1 . 2]" 1
1101 1 82 TYR H 1 102 GLU QB 0.000 . 6.000 5.813 5.596 6.006 0.006 17 0 "[ . 1 . 2]" 1
1102 1 131 GLU H 1 132 GLU QG 0.000 . 5.000 4.343 4.205 4.509 . 0 0 "[ . 1 . 2]" 1
1103 1 82 TYR H 1 102 GLU HA 0.000 . 6.000 5.610 5.241 5.818 . 0 0 "[ . 1 . 2]" 1
1104 1 45 LEU H 1 54 ILE H 0.000 . 5.000 4.134 4.005 4.426 . 0 0 "[ . 1 . 2]" 1
1105 1 123 THR HB 1 128 GLU H 0.000 . 6.000 4.940 2.820 6.012 0.012 7 0 "[ . 1 . 2]" 1
1106 1 46 GLU HB3 1 54 ILE H 0.000 . 5.000 4.764 4.494 4.907 . 0 0 "[ . 1 . 2]" 1
1107 1 6 TYR H 1 118 THR MG 0.000 . 4.000 3.124 2.833 3.293 . 0 0 "[ . 1 . 2]" 1
1108 1 82 TYR H 1 104 LYS HA 0.000 . 5.000 3.164 2.777 3.383 . 0 0 "[ . 1 . 2]" 1
1109 1 6 TYR H 1 121 TYR QD 0.000 . 6.000 5.523 5.070 5.986 . 0 0 "[ . 1 . 2]" 1
1110 1 5 THR MG 1 6 TYR H 0.000 . 3.000 2.299 2.022 2.583 . 0 0 "[ . 1 . 2]" 1
1111 1 130 LYS HA 1 131 GLU H 0.000 . 3.000 2.204 2.187 2.227 . 0 0 "[ . 1 . 2]" 1
1112 1 4 TYR QB 1 6 TYR H 0.000 . 6.000 5.343 5.088 5.723 . 0 0 "[ . 1 . 2]" 1
1113 1 38 ALA MB 1 40 LYS H 0.000 . 6.000 5.868 5.773 5.929 . 0 0 "[ . 1 . 2]" 1
1114 1 39 VAL HB 1 40 LYS H 0.000 . 4.000 3.478 2.622 4.018 0.018 20 0 "[ . 1 . 2]" 1
1115 1 40 LYS H 1 60 GLY H 0.000 . 4.000 3.724 3.233 4.005 0.005 3 0 "[ . 1 . 2]" 1
1116 1 40 LYS H 1 59 PHE HA 0.000 . 3.000 2.810 2.311 3.006 0.006 16 0 "[ . 1 . 2]" 1
1117 1 40 LYS H 1 59 PHE QD 0.000 . 6.000 4.787 4.235 5.434 . 0 0 "[ . 1 . 2]" 1
1118 1 32 PRO QB 1 42 ALA H 0.000 . 5.000 3.260 2.686 3.848 . 0 0 "[ . 1 . 2]" 1
1119 1 29 ASN HA 1 42 ALA H 0.000 . 6.000 5.471 4.562 5.984 . 0 0 "[ . 1 . 2]" 1
1120 1 39 VAL QG 1 42 ALA H 0.000 . 6.000 3.583 3.334 3.875 . 0 0 "[ . 1 . 2]" 1
1121 1 42 ALA H 1 57 ILE MD 0.000 . 6.000 5.895 5.684 6.007 0.007 6 0 "[ . 1 . 2]" 1
1122 1 42 ALA H 1 43 GLU QB 0.000 . 6.000 5.691 5.109 6.002 0.002 6 0 "[ . 1 . 2]" 1
1123 1 123 THR H 1 123 THR MG 0.000 . 3.000 2.578 2.235 2.888 . 0 0 "[ . 1 . 2]" 1
1124 1 97 GLU H 1 123 THR H 0.000 . 6.000 4.556 4.053 6.007 0.007 13 0 "[ . 1 . 2]" 1
1125 1 5 THR MG 1 118 THR H 0.000 . 6.000 5.516 5.405 5.672 . 0 0 "[ . 1 . 2]" 1
1126 1 82 TYR HB3 1 103 THR H 0.000 . 5.000 4.091 3.547 4.346 . 0 0 "[ . 1 . 2]" 1
1127 1 82 TYR H 1 103 THR H 0.000 . 4.000 3.571 3.295 3.732 . 0 0 "[ . 1 . 2]" 1
1128 1 102 GLU HA 1 103 THR H 0.000 . 3.000 2.229 2.205 2.254 . 0 0 "[ . 1 . 2]" 1
1129 1 3 VAL MG2 1 121 TYR H 0.000 . 4.000 3.244 1.831 4.033 0.033 1 0 "[ . 1 . 2]" 1
1130 1 13 ASP H 1 14 ILE QG 0.000 . 6.000 4.431 3.726 5.365 . 0 0 "[ . 1 . 2]" 1
1131 1 16 ALA H 1 113 THR H 0.000 . 6.000 5.930 5.658 6.016 0.016 4 0 "[ . 1 . 2]" 1
1132 1 16 ALA H 1 18 LYS H 0.000 . 6.000 4.690 4.482 4.752 . 0 0 "[ . 1 . 2]" 1
1133 1 16 ALA H 1 19 LEU QB 0.000 . 6.000 4.832 4.710 5.001 . 0 0 "[ . 1 . 2]" 1
1134 1 104 LYS H 1 115 ILE MG 0.000 . 4.000 3.190 2.926 3.527 . 0 0 "[ . 1 . 2]" 1
1135 1 55 LYS H 1 87 ILE HB 0.000 . 6.000 5.578 5.178 5.981 . 0 0 "[ . 1 . 2]" 1
1136 1 103 THR HA 1 104 LYS H 0.000 . 3.000 2.217 2.198 2.232 . 0 0 "[ . 1 . 2]" 1
1137 1 100 ASP H 1 120 LYS QD 0.000 . 5.000 4.630 4.127 5.004 0.004 6 0 "[ . 1 . 2]" 1
1138 1 55 LYS H 1 55 LYS QE 0.000 . 5.000 4.640 3.587 4.941 . 0 0 "[ . 1 . 2]" 1
1139 1 104 LYS H 1 105 LEU QD 0.000 . 4.000 3.343 3.047 3.787 . 0 0 "[ . 1 . 2]" 1
1140 1 76 ASP H 1 82 TYR QD 0.000 . 5.000 4.325 4.086 4.561 . 0 0 "[ . 1 . 2]" 1
1141 1 75 ILE HA 1 76 ASP H 0.000 . 3.000 2.272 2.250 2.280 . 0 0 "[ . 1 . 2]" 1
1142 1 76 ASP H 1 81 THR HB 0.000 . 4.000 3.616 3.327 3.832 . 0 0 "[ . 1 . 2]" 1
1143 1 106 VAL HB 1 116 LYS H 0.000 . 5.000 4.852 4.503 5.002 0.002 2 0 "[ . 1 . 2]" 1
1144 1 104 LYS H 1 116 LYS H 0.000 . 4.000 3.379 3.145 3.705 . 0 0 "[ . 1 . 2]" 1
1145 1 115 ILE HA 1 116 LYS H 0.000 . 3.000 2.192 2.182 2.210 . 0 0 "[ . 1 . 2]" 1
1146 1 73 HIS H 1 84 TYR H 0.000 . 5.000 4.475 4.306 4.587 . 0 0 "[ . 1 . 2]" 1
1147 1 114 ILE H 1 114 ILE HB 0.000 . 3.000 2.569 2.547 2.624 . 0 0 "[ . 1 . 2]" 1
1148 1 107 SER QB 1 114 ILE H 0.000 . 5.000 4.323 3.354 4.646 . 0 0 "[ . 1 . 2]" 1
1149 1 108 ALA H 1 114 ILE H 0.000 . 4.000 3.619 3.349 3.845 . 0 0 "[ . 1 . 2]" 1
1150 1 73 HIS H 1 84 TYR HA 0.000 . 4.000 2.322 2.174 2.432 . 0 0 "[ . 1 . 2]" 1
1151 1 52 GLY QA 1 73 HIS H 0.000 . 6.000 5.458 5.159 5.604 . 0 0 "[ . 1 . 2]" 1
1152 1 73 HIS H 1 84 TYR HB3 0.000 . 5.000 4.241 3.977 4.398 . 0 0 "[ . 1 . 2]" 1
1153 1 73 HIS H 1 84 TYR HB2 0.000 . 5.000 4.405 4.125 4.545 . 0 0 "[ . 1 . 2]" 1
1154 1 73 HIS H 1 74 SER H 0.000 . 4.000 2.395 2.286 2.438 . 0 0 "[ . 1 . 2]" 1
1155 1 73 HIS H 1 84 TYR QD 0.000 . 6.000 5.471 5.316 5.569 . 0 0 "[ . 1 . 2]" 1
1156 1 73 HIS H 1 73 HIS HD2 0.000 . 4.000 3.261 3.010 3.418 . 0 0 "[ . 1 . 2]" 1
1157 1 129 ILE MD 1 130 LYS H 0.000 . 4.000 3.522 3.507 3.546 . 0 0 "[ . 1 . 2]" 1
1158 1 53 THR MG 1 72 ILE H 0.000 . 5.000 4.214 4.076 4.411 . 0 0 "[ . 1 . 2]" 1
1159 1 129 ILE QG 1 130 LYS H 0.000 . 3.000 1.787 1.773 1.813 . 0 0 "[ . 1 . 2]" 1
1160 1 130 LYS H 1 133 HIS HA 0.000 . 6.000 5.861 5.609 6.008 0.008 11 0 "[ . 1 . 2]" 1
1161 1 54 ILE HA 1 72 ILE H 0.000 . 5.000 4.026 3.802 4.220 . 0 0 "[ . 1 . 2]" 1
1162 1 71 LYS HB3 1 72 ILE H 0.000 . 4.000 3.982 3.935 4.006 0.006 5 0 "[ . 1 . 2]" 1
1163 1 71 LYS HA 1 72 ILE H 0.000 . 3.000 2.245 2.233 2.259 . 0 0 "[ . 1 . 2]" 1
1164 1 130 LYS H 1 133 HIS QB 0.000 . 4.000 2.912 2.654 3.085 . 0 0 "[ . 1 . 2]" 1
1165 1 72 ILE H 1 72 ILE HB 0.000 . 3.000 2.580 2.551 2.623 . 0 0 "[ . 1 . 2]" 1
1166 1 53 THR H 1 72 ILE H 0.000 . 4.000 2.845 2.625 3.252 . 0 0 "[ . 1 . 2]" 1
1167 1 148 ILE HA 1 150 GLY H 0.000 . 6.000 4.471 4.059 4.750 . 0 0 "[ . 1 . 2]" 1
1168 1 146 LYS HA 1 150 GLY H 0.000 . 6.000 4.382 4.045 4.590 . 0 0 "[ . 1 . 2]" 1
1169 1 150 GLY H 1 151 TYR HB3 0.000 . 6.000 5.426 4.750 6.430 0.430 4 0 "[ . 1 . 2]" 1
1170 1 40 LYS QB 1 60 GLY H 0.000 . 6.000 3.979 3.162 4.945 . 0 0 "[ . 1 . 2]" 1
1171 1 40 LYS QD 1 60 GLY H 0.000 . 6.000 5.438 3.828 5.992 . 0 0 "[ . 1 . 2]" 1
1172 1 39 VAL QG 1 60 GLY H 0.000 . 6.000 4.628 4.201 4.905 . 0 0 "[ . 1 . 2]" 1
1173 1 86 LEU H 1 101 TYR QD 0.000 . 3.000 2.511 2.235 2.883 . 0 0 "[ . 1 . 2]" 1
1174 1 85 SER HA 1 86 LEU H 0.000 . 3.000 2.361 2.303 2.422 . 0 0 "[ . 1 . 2]" 1
1175 1 86 LEU H 1 86 LEU HB3 0.000 . 3.000 2.681 2.561 2.760 . 0 0 "[ . 1 . 2]" 1
1176 1 45 LEU H 1 56 LYS HB2 0.000 . 5.000 4.652 4.118 4.996 . 0 0 "[ . 1 . 2]" 1
1177 1 45 LEU H 1 46 GLU HG3 0.000 . 6.000 5.426 4.983 6.836 0.836 8 4 "[ * * + 1 .- 2]" 1
1178 1 44 ILE HA 1 45 LEU H 0.000 . 3.000 2.191 2.187 2.212 . 0 0 "[ . 1 . 2]" 1
1179 1 45 LEU H 1 46 GLU H 0.000 . 3.000 2.684 2.461 2.767 . 0 0 "[ . 1 . 2]" 1
1180 1 9 GLU QB 1 115 ILE H 0.000 . 6.000 4.994 4.348 5.591 . 0 0 "[ . 1 . 2]" 1
1181 1 108 ALA H 1 114 ILE HB 0.000 . 6.000 5.244 4.813 5.598 . 0 0 "[ . 1 . 2]" 1
1182 1 108 ALA H 1 112 GLY HA2 0.000 . 6.000 5.188 4.946 5.313 . 0 0 "[ . 1 . 2]" 1
1183 1 10 PHE HA 1 115 ILE H 0.000 . 5.000 4.603 4.439 4.750 . 0 0 "[ . 1 . 2]" 1
1184 1 11 THR HB 1 115 ILE H 0.000 . 6.000 5.011 4.644 5.430 . 0 0 "[ . 1 . 2]" 1
1185 1 108 ALA H 1 113 THR HB 0.000 . 6.000 5.804 5.586 5.957 . 0 0 "[ . 1 . 2]" 1
1186 1 108 ALA H 1 114 ILE MD 0.000 . 5.000 4.221 3.644 4.602 . 0 0 "[ . 1 . 2]" 1
1187 1 115 ILE H 1 115 ILE MD 0.000 . 4.000 3.536 2.903 3.900 . 0 0 "[ . 1 . 2]" 1
1188 1 115 ILE H 1 116 LYS HG2 0.000 . 6.000 5.171 4.946 5.467 . 0 0 "[ . 1 . 2]" 1
1189 1 9 GLU HA 1 115 ILE H 0.000 . 5.000 4.638 4.343 4.889 . 0 0 "[ . 1 . 2]" 1
1190 1 134 VAL HA 1 137 GLY H 0.000 . 6.000 3.428 3.332 3.538 . 0 0 "[ . 1 . 2]" 1
1191 1 135 LYS H 1 137 GLY H 0.000 . 6.000 4.303 4.230 4.449 . 0 0 "[ . 1 . 2]" 1
1192 1 84 TYR QE 1 101 TYR HD1 0.000 . 4.000 4.076 3.972 4.570 0.570 9 2 "[ . +1 . - 2]" 1
1193 1 82 TYR QD 1 84 TYR QE 0.000 . 5.000 3.644 3.032 4.046 . 0 0 "[ . 1 . 2]" 1
1194 1 82 TYR QE 1 84 TYR H 0.000 . 6.000 4.514 4.338 4.645 . 0 0 "[ . 1 . 2]" 1
1195 1 82 TYR QE 1 84 TYR HA 0.000 . 6.000 4.377 4.275 4.651 . 0 0 "[ . 1 . 2]" 1
1196 1 115 ILE MD 1 145 PHE QE 0.000 . 5.000 3.347 1.826 5.035 0.035 18 0 "[ . 1 . 2]" 1
1197 1 14 ILE MG 1 15 PRO QD 0.000 . 4.000 1.762 1.714 1.901 . 0 0 "[ . 1 . 2]" 1
1198 1 14 ILE MG 1 19 LEU QD 0.000 . 5.000 3.052 2.601 3.687 . 0 0 "[ . 1 . 2]" 1
1199 1 14 ILE MG 1 18 LYS QB 0.000 . 5.000 1.871 1.738 2.049 . 0 0 "[ . 1 . 2]" 1
1200 1 16 ALA MB 1 107 SER QB 0.000 . 4.000 2.546 2.056 3.519 . 0 0 "[ . 1 . 2]" 1
1201 1 16 ALA MB 1 105 LEU H 0.000 . 5.000 4.568 4.261 4.821 . 0 0 "[ . 1 . 2]" 1
1202 1 42 ALA MB 1 57 ILE HA 0.000 . 4.000 3.658 3.350 3.978 . 0 0 "[ . 1 . 2]" 1
1203 1 23 PHE HA 1 31 ILE MD 0.000 . 6.000 5.808 4.708 5.950 . 0 0 "[ . 1 . 2]" 1
1204 1 34 ILE MD 1 144 LEU HA 0.000 . 4.000 3.551 2.453 3.994 . 0 0 "[ . 1 . 2]" 1
1205 1 20 PHE QD 1 80 HIS HD2 0.000 . 5.000 3.822 3.255 4.283 . 0 0 "[ . 1 . 2]" 1
1206 1 16 ALA MB 1 80 HIS HD2 0.000 . 5.000 4.132 3.221 4.692 . 0 0 "[ . 1 . 2]" 1
1207 1 129 ILE MG 1 134 VAL MG2 0.000 . 4.000 2.282 1.796 3.658 . 0 0 "[ . 1 . 2]" 1
1208 1 134 VAL H 1 134 VAL HB 0.000 . 3.000 2.556 2.495 2.599 . 0 0 "[ . 1 . 2]" 1
1209 1 96 ILE MD 1 129 ILE MD 0.000 . 4.000 2.427 1.710 3.217 . 0 0 "[ . 1 . 2]" 1
1210 1 96 ILE MD 1 129 ILE MG 0.000 . 5.000 4.502 2.938 5.007 0.007 10 0 "[ . 1 . 2]" 1
1211 1 85 SER HA 1 99 ILE MG 0.000 . 5.000 4.478 4.148 4.605 . 0 0 "[ . 1 . 2]" 1
1212 1 71 LYS H 1 85 SER H 0.000 . 4.000 2.915 2.371 3.311 . 0 0 "[ . 1 . 2]" 1
1213 1 84 TYR HA 1 85 SER H 0.000 . 3.000 2.498 2.415 2.643 . 0 0 "[ . 1 . 2]" 1
1214 1 129 ILE MG 1 130 LYS H 0.000 . 3.000 3.003 2.994 3.017 0.017 18 0 "[ . 1 . 2]" 1
1215 1 34 ILE MD 1 151 TYR QD 0.000 . 4.000 3.834 2.760 4.006 0.006 4 0 "[ . 1 . 2]" 1
1216 1 14 ILE MD 1 152 LEU QB 0.000 . 4.000 2.208 1.843 2.920 . 0 0 "[ . 1 . 2]" 1
1217 1 43 GLU HA 1 44 ILE H 0.000 . 3.000 2.300 2.248 2.364 . 0 0 "[ . 1 . 2]" 1
1218 1 44 ILE H 1 55 LYS HA 0.000 . 5.000 4.672 4.500 4.958 . 0 0 "[ . 1 . 2]" 1
1219 1 68 VAL HA 1 88 GLU H 0.000 . 5.000 4.390 4.210 4.572 . 0 0 "[ . 1 . 2]" 1
1220 1 99 ILE MG 1 100 ASP H 0.000 . 3.000 2.505 2.270 2.987 . 0 0 "[ . 1 . 2]" 1
1221 1 86 LEU H 1 99 ILE MG 0.000 . 4.000 3.932 3.546 4.013 0.013 9 0 "[ . 1 . 2]" 1
1222 1 45 LEU H 1 55 LYS H 0.000 . 5.000 4.594 4.375 4.752 . 0 0 "[ . 1 . 2]" 1
1223 1 48 ASP H 1 53 THR HB 0.000 . 5.000 4.981 4.931 5.005 0.005 18 0 "[ . 1 . 2]" 1
1224 1 44 ILE MD 1 50 GLY H 0.000 . 5.000 4.422 4.186 4.685 . 0 0 "[ . 1 . 2]" 1
1225 1 50 GLY H 1 53 THR HA 0.000 . 5.000 4.300 4.177 4.410 . 0 0 "[ . 1 . 2]" 1
1226 1 50 GLY H 1 75 ILE MD 0.000 . 5.000 4.842 4.598 4.983 . 0 0 "[ . 1 . 2]" 1
1227 1 52 GLY H 1 72 ILE MG 0.000 . 4.000 3.585 3.240 3.861 . 0 0 "[ . 1 . 2]" 1
1228 1 53 THR MG 1 54 ILE H 0.000 . 3.000 2.012 1.865 2.121 . 0 0 "[ . 1 . 2]" 1
1229 1 47 GLY HA3 1 54 ILE H 0.000 . 4.000 3.806 3.625 4.012 0.012 16 0 "[ . 1 . 2]" 1
1230 1 44 ILE MG 1 54 ILE H 0.000 . 3.000 2.983 2.952 3.018 0.018 16 0 "[ . 1 . 2]" 1
1231 1 46 GLU QB 1 54 ILE H 0.000 . 4.000 3.456 3.270 3.583 . 0 0 "[ . 1 . 2]" 1
1232 1 55 LYS H 1 70 HIS H 0.000 . 4.000 2.877 2.534 3.108 . 0 0 "[ . 1 . 2]" 1
1233 1 5 THR HA 1 6 TYR H 0.000 . 3.000 2.248 2.205 2.271 . 0 0 "[ . 1 . 2]" 1
1234 1 5 THR HA 1 120 LYS HA 0.000 . 3.000 2.932 2.620 3.010 0.010 2 0 "[ . 1 . 2]" 1
1235 1 12 SER HA 1 13 ASP H 0.000 . 3.000 2.480 2.342 2.597 . 0 0 "[ . 1 . 2]" 1
1236 1 99 ILE MG 1 101 TYR QD 0.000 . 5.000 3.394 3.059 3.579 . 0 0 "[ . 1 . 2]" 1
1237 1 101 TYR QD 1 119 SER QB 0.000 . 4.000 3.003 1.864 3.803 . 0 0 "[ . 1 . 2]" 1
1238 1 84 TYR QD 1 101 TYR QD 0.000 . 4.000 3.329 2.971 3.676 . 0 0 "[ . 1 . 2]" 1
1239 1 84 TYR QE 1 101 TYR QD 0.000 . 5.000 2.862 2.590 3.064 . 0 0 "[ . 1 . 2]" 1
1240 1 86 LEU H 1 101 TYR QE 0.000 . 5.000 2.770 2.298 3.279 . 0 0 "[ . 1 . 2]" 1
1241 1 84 TYR QE 1 101 TYR QE 0.000 . 5.000 3.859 3.525 4.225 . 0 0 "[ . 1 . 2]" 1
1242 1 99 ILE MD 1 101 TYR QE 0.000 . 5.000 2.798 2.429 3.114 . 0 0 "[ . 1 . 2]" 1
1243 1 99 ILE MG 1 101 TYR QE 0.000 . 5.000 2.566 2.074 2.781 . 0 0 "[ . 1 . 2]" 1
1244 1 101 TYR QE 1 119 SER QB 0.000 . 5.000 2.944 2.442 3.914 . 0 0 "[ . 1 . 2]" 1
1245 1 99 ILE H 1 101 TYR QE 0.000 . 5.000 4.077 3.720 4.999 . 0 0 "[ . 1 . 2]" 1
1246 1 91 ALA MB 1 99 ILE MD 0.000 . 5.000 4.315 3.506 5.007 0.007 9 0 "[ . 1 . 2]" 1
1247 1 121 TYR QB 1 129 ILE MD 0.000 . 6.000 4.505 3.117 5.498 . 0 0 "[ . 1 . 2]" 1
1248 1 133 HIS H 1 134 VAL MG2 0.000 . 4.000 3.983 3.888 4.003 0.003 12 0 "[ . 1 . 2]" 1
1249 1 134 VAL HB 1 135 LYS H 0.000 . 3.000 2.511 2.414 2.576 . 0 0 "[ . 1 . 2]" 1
1250 1 68 VAL H 1 89 GLY QA 0.000 . 4.000 4.014 3.946 4.065 0.065 19 0 "[ . 1 . 2]" 1
1251 1 92 LEU QD 1 99 ILE MD 0.000 . 4.000 2.235 1.691 2.976 . 0 0 "[ . 1 . 2]" 1
1252 1 68 VAL QG 1 92 LEU QD 0.000 . 4.000 2.692 2.494 2.995 . 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 2
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 1.612
_Distance_constraint_stats_list.Viol_max 0.020
_Distance_constraint_stats_list.Viol_rms 0.0043
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0067
_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 10 PHE 0.081 0.020 7 0 "[ . 1 . 2]"
1 13 ASP 0.081 0.020 7 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 10 PHE QE 1 13 ASP QB 0.000 . 6.000 5.996 5.956 6.020 0.020 7 0 "[ . 1 . 2]" 2
2 1 10 PHE QE 1 13 ASP H 0.000 . 6.000 4.593 4.309 4.852 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 122
_Distance_constraint_stats_list.Viol_count 121
_Distance_constraint_stats_list.Viol_total 23.602
_Distance_constraint_stats_list.Viol_max 0.048
_Distance_constraint_stats_list.Viol_rms 0.0028
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0098
_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 6 TYR 0.126 0.021 11 0 "[ . 1 . 2]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PHE 0.010 0.008 19 0 "[ . 1 . 2]"
1 12 SER 0.037 0.016 4 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PHE 0.045 0.027 18 0 "[ . 1 . 2]"
1 23 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.045 0.027 18 0 "[ . 1 . 2]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.020 0.008 9 0 "[ . 1 . 2]"
1 33 LYS 0.010 0.004 3 0 "[ . 1 . 2]"
1 34 ILE 0.010 0.008 9 0 "[ . 1 . 2]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ILE 0.008 0.008 12 0 "[ . 1 . 2]"
1 59 PHE 0.012 0.007 5 0 "[ . 1 . 2]"
1 66 GLY 0.012 0.007 5 0 "[ . 1 . 2]"
1 68 VAL 0.008 0.008 12 0 "[ . 1 . 2]"
1 70 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 SER 0.077 0.011 19 0 "[ . 1 . 2]"
1 80 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 SER 0.077 0.011 19 0 "[ . 1 . 2]"
1 84 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LEU 0.091 0.029 6 0 "[ . 1 . 2]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LEU 0.099 0.048 11 0 "[ . 1 . 2]"
1 96 ILE 0.099 0.048 11 0 "[ . 1 . 2]"
1 98 LYS 0.328 0.036 17 0 "[ . 1 . 2]"
1 99 ILE 0.091 0.029 6 0 "[ . 1 . 2]"
1 100 ASP 0.043 0.021 11 0 "[ . 1 . 2]"
1 101 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LYS 0.024 0.017 18 0 "[ . 1 . 2]"
1 105 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ALA 0.129 0.013 12 0 "[ . 1 . 2]"
1 111 GLY 0.107 0.013 12 0 "[ . 1 . 2]"
1 112 GLY 0.022 0.013 20 0 "[ . 1 . 2]"
1 113 THR 0.037 0.016 4 0 "[ . 1 . 2]"
1 114 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ILE 0.010 0.008 19 0 "[ . 1 . 2]"
1 116 LYS 0.024 0.017 18 0 "[ . 1 . 2]"
1 117 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 SER 0.126 0.021 11 0 "[ . 1 . 2]"
1 120 LYS 0.043 0.021 11 0 "[ . 1 . 2]"
1 122 HIS 0.328 0.036 17 0 "[ . 1 . 2]"
1 130 LYS 0.000 0.000 8 0 "[ . 1 . 2]"
1 131 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 VAL 0.000 0.000 8 0 "[ . 1 . 2]"
1 135 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 ALA 0.014 0.008 1 0 "[ . 1 . 2]"
1 137 GLY 0.005 0.003 6 0 "[ . 1 . 2]"
1 138 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 LYS 0.029 0.010 5 0 "[ . 1 . 2]"
1 141 ALA 0.017 0.010 7 0 "[ . 1 . 2]"
1 142 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 LEU 0.071 0.011 9 0 "[ . 1 . 2]"
1 145 PHE 0.013 0.010 7 0 "[ . 1 . 2]"
1 146 LYS 0.010 0.008 9 0 "[ . 1 . 2]"
1 147 LEU 0.038 0.011 9 0 "[ . 1 . 2]"
1 148 ILE 0.018 0.010 14 0 "[ . 1 . 2]"
1 149 GLU 0.000 0.000 16 0 "[ . 1 . 2]"
1 150 GLY 0.025 0.015 20 0 "[ . 1 . 2]"
1 151 TYR 0.002 0.002 12 0 "[ . 1 . 2]"
1 153 LYS 0.000 0.000 16 0 "[ . 1 . 2]"
1 154 ASP 0.015 0.015 20 0 "[ . 1 . 2]"
1 155 HIS 0.002 0.002 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 TYR H 1 119 SER O 0.000 . 2.300 2.290 2.147 2.321 0.021 11 0 "[ . 1 . 2]" 3
2 1 6 TYR N 1 119 SER O 0.000 . 3.300 3.255 3.105 3.296 . 0 0 "[ . 1 . 2]" 3
3 1 8 ASN H 1 117 THR O 0.000 . 2.300 1.754 1.623 2.058 . 0 0 "[ . 1 . 2]" 3
4 1 8 ASN N 1 117 THR O 0.000 . 3.300 2.679 2.510 3.001 . 0 0 "[ . 1 . 2]" 3
5 1 10 PHE H 1 115 ILE O 0.000 . 2.300 1.945 1.571 2.308 0.008 19 0 "[ . 1 . 2]" 3
6 1 10 PHE N 1 115 ILE O 0.000 . 3.300 2.847 2.540 3.083 . 0 0 "[ . 1 . 2]" 3
7 1 12 SER H 1 113 THR O 0.000 . 2.300 1.841 1.699 1.992 . 0 0 "[ . 1 . 2]" 3
8 1 12 SER N 1 113 THR O 0.000 . 3.300 2.785 2.668 2.945 . 0 0 "[ . 1 . 2]" 3
9 1 16 ALA O 1 20 PHE H 0.000 . 2.300 1.918 1.795 2.027 . 0 0 "[ . 1 . 2]" 3
10 1 16 ALA O 1 20 PHE N 0.000 . 3.300 2.730 2.644 2.865 . 0 0 "[ . 1 . 2]" 3
11 1 19 LEU O 1 23 PHE H 0.000 . 2.300 1.976 1.667 2.289 . 0 0 "[ . 1 . 2]" 3
12 1 19 LEU O 1 23 PHE N 0.000 . 3.300 2.665 2.526 2.785 . 0 0 "[ . 1 . 2]" 3
13 1 20 PHE O 1 24 VAL H 0.000 . 2.300 2.232 2.096 2.327 0.027 18 0 "[ . 1 . 2]" 3
14 1 20 PHE O 1 24 VAL N 0.000 . 3.300 2.930 2.621 3.262 . 0 0 "[ . 1 . 2]" 3
15 1 26 ASP O 1 30 LEU H 0.000 . 2.300 1.584 1.535 1.724 . 0 0 "[ . 1 . 2]" 3
16 1 26 ASP O 1 30 LEU N 0.000 . 3.300 2.455 2.425 2.566 . 0 0 "[ . 1 . 2]" 3
17 1 30 LEU O 1 33 LYS H 0.000 . 2.300 2.250 2.095 2.304 0.004 3 0 "[ . 1 . 2]" 3
18 1 30 LEU O 1 33 LYS N 0.000 . 3.300 2.921 2.774 3.051 . 0 0 "[ . 1 . 2]" 3
19 1 30 LEU O 1 34 ILE H 0.000 . 2.300 2.165 1.699 2.308 0.008 9 0 "[ . 1 . 2]" 3
20 1 30 LEU O 1 34 ILE N 0.000 . 3.300 3.079 2.676 3.233 . 0 0 "[ . 1 . 2]" 3
21 1 45 LEU H 1 54 ILE O 0.000 . 2.300 1.914 1.690 2.168 . 0 0 "[ . 1 . 2]" 3
22 1 45 LEU N 1 54 ILE O 0.000 . 3.300 2.697 2.502 2.887 . 0 0 "[ . 1 . 2]" 3
23 1 46 GLU O 1 54 ILE H 0.000 . 2.300 2.085 1.884 2.198 . 0 0 "[ . 1 . 2]" 3
24 1 46 GLU O 1 54 ILE N 0.000 . 3.300 2.957 2.761 3.068 . 0 0 "[ . 1 . 2]" 3
25 1 55 LYS H 1 70 HIS O 0.000 . 2.300 1.830 1.581 2.227 . 0 0 "[ . 1 . 2]" 3
26 1 55 LYS N 1 70 HIS O 0.000 . 3.300 2.669 2.467 3.001 . 0 0 "[ . 1 . 2]" 3
27 1 43 GLU O 1 56 LYS H 0.000 . 2.300 1.781 1.612 1.897 . 0 0 "[ . 1 . 2]" 3
28 1 43 GLU O 1 56 LYS N 0.000 . 3.300 2.722 2.536 2.857 . 0 0 "[ . 1 . 2]" 3
29 1 57 ILE H 1 68 VAL O 0.000 . 2.300 1.831 1.642 2.068 . 0 0 "[ . 1 . 2]" 3
30 1 57 ILE N 1 68 VAL O 0.000 . 3.300 2.736 2.516 2.980 . 0 0 "[ . 1 . 2]" 3
31 1 59 PHE H 1 66 GLY O 0.000 . 2.300 2.076 1.632 2.307 0.007 5 0 "[ . 1 . 2]" 3
32 1 59 PHE N 1 66 GLY O 0.000 . 3.300 2.997 2.513 3.228 . 0 0 "[ . 1 . 2]" 3
33 1 57 ILE O 1 68 VAL H 0.000 . 2.300 2.186 1.953 2.308 0.008 12 0 "[ . 1 . 2]" 3
34 1 57 ILE O 1 68 VAL N 0.000 . 3.300 2.958 2.747 3.088 . 0 0 "[ . 1 . 2]" 3
35 1 55 LYS O 1 70 HIS H 0.000 . 2.300 2.116 1.880 2.299 . 0 0 "[ . 1 . 2]" 3
36 1 55 LYS O 1 70 HIS N 0.000 . 3.300 2.943 2.758 3.121 . 0 0 "[ . 1 . 2]" 3
37 1 71 LYS H 1 85 SER O 0.000 . 2.300 1.635 1.575 1.754 . 0 0 "[ . 1 . 2]" 3
38 1 71 LYS N 1 85 SER O 0.000 . 3.300 2.578 2.446 2.719 . 0 0 "[ . 1 . 2]" 3
39 1 53 THR O 1 72 ILE H 0.000 . 2.300 2.077 1.824 2.250 . 0 0 "[ . 1 . 2]" 3
40 1 53 THR O 1 72 ILE N 0.000 . 3.300 2.994 2.757 3.184 . 0 0 "[ . 1 . 2]" 3
41 1 82 TYR H 1 103 THR O 0.000 . 2.300 1.880 1.593 2.075 . 0 0 "[ . 1 . 2]" 3
42 1 82 TYR N 1 103 THR O 0.000 . 3.300 2.792 2.485 2.954 . 0 0 "[ . 1 . 2]" 3
43 1 74 SER O 1 83 SER H 0.000 . 2.300 2.301 2.281 2.311 0.011 19 0 "[ . 1 . 2]" 3
44 1 74 SER O 1 83 SER N 0.000 . 3.300 3.185 3.118 3.234 . 0 0 "[ . 1 . 2]" 3
45 1 84 TYR H 1 101 TYR O 0.000 . 2.300 1.949 1.746 2.121 . 0 0 "[ . 1 . 2]" 3
46 1 84 TYR N 1 101 TYR O 0.000 . 3.300 2.864 2.704 3.048 . 0 0 "[ . 1 . 2]" 3
47 1 71 LYS O 1 85 SER H 0.000 . 2.300 1.665 1.554 1.786 . 0 0 "[ . 1 . 2]" 3
48 1 71 LYS O 1 85 SER N 0.000 . 3.300 2.590 2.433 2.696 . 0 0 "[ . 1 . 2]" 3
49 1 86 LEU H 1 99 ILE O 0.000 . 2.300 1.864 1.578 2.069 . 0 0 "[ . 1 . 2]" 3
50 1 86 LEU N 1 99 ILE O 0.000 . 3.300 2.738 2.455 2.901 . 0 0 "[ . 1 . 2]" 3
51 1 89 GLY O 1 92 LEU H 0.000 . 2.300 2.032 1.570 2.297 . 0 0 "[ . 1 . 2]" 3
52 1 89 GLY O 1 92 LEU N 0.000 . 3.300 2.790 2.459 3.052 . 0 0 "[ . 1 . 2]" 3
53 1 92 LEU O 1 96 ILE H 0.000 . 2.300 2.180 1.770 2.348 0.048 11 0 "[ . 1 . 2]" 3
54 1 92 LEU O 1 96 ILE N 0.000 . 3.300 2.973 2.653 3.240 . 0 0 "[ . 1 . 2]" 3
55 1 86 LEU O 1 99 ILE H 0.000 . 2.300 2.205 1.929 2.329 0.029 6 0 "[ . 1 . 2]" 3
56 1 86 LEU O 1 99 ILE N 0.000 . 3.300 3.121 2.799 3.296 . 0 0 "[ . 1 . 2]" 3
57 1 100 ASP H 1 120 LYS O 0.000 . 2.300 1.888 1.598 2.308 0.008 6 0 "[ . 1 . 2]" 3
58 1 100 ASP N 1 120 LYS O 0.000 . 3.300 2.718 2.428 3.212 . 0 0 "[ . 1 . 2]" 3
59 1 84 TYR O 1 101 TYR H 0.000 . 2.300 1.775 1.583 1.963 . 0 0 "[ . 1 . 2]" 3
60 1 84 TYR O 1 101 TYR N 0.000 . 3.300 2.567 2.433 2.727 . 0 0 "[ . 1 . 2]" 3
61 1 102 GLU H 1 118 THR O 0.000 . 2.300 1.928 1.633 2.226 . 0 0 "[ . 1 . 2]" 3
62 1 102 GLU N 1 118 THR O 0.000 . 3.300 2.790 2.462 3.150 . 0 0 "[ . 1 . 2]" 3
63 1 82 TYR O 1 103 THR H 0.000 . 2.300 1.834 1.632 2.035 . 0 0 "[ . 1 . 2]" 3
64 1 82 TYR O 1 103 THR N 0.000 . 3.300 2.649 2.471 2.818 . 0 0 "[ . 1 . 2]" 3
65 1 104 LYS H 1 116 LYS O 0.000 . 2.300 2.122 1.816 2.280 . 0 0 "[ . 1 . 2]" 3
66 1 104 LYS N 1 116 LYS O 0.000 . 3.300 2.964 2.646 3.183 . 0 0 "[ . 1 . 2]" 3
67 1 80 HIS O 1 105 LEU H 0.000 . 2.300 2.118 1.580 2.295 . 0 0 "[ . 1 . 2]" 3
68 1 80 HIS O 1 105 LEU N 0.000 . 3.300 3.050 2.488 3.240 . 0 0 "[ . 1 . 2]" 3
69 1 106 VAL H 1 114 ILE O 0.000 . 2.300 1.824 1.704 1.990 . 0 0 "[ . 1 . 2]" 3
70 1 106 VAL N 1 114 ILE O 0.000 . 3.300 2.707 2.607 2.827 . 0 0 "[ . 1 . 2]" 3
71 1 108 ALA H 1 112 GLY O 0.000 . 2.300 2.162 1.947 2.313 0.013 20 0 "[ . 1 . 2]" 3
72 1 108 ALA N 1 112 GLY O 0.000 . 3.300 3.114 2.907 3.221 . 0 0 "[ . 1 . 2]" 3
73 1 108 ALA O 1 111 GLY H 0.000 . 2.300 2.294 2.194 2.313 0.013 12 0 "[ . 1 . 2]" 3
74 1 108 ALA O 1 111 GLY N 0.000 . 3.300 3.238 3.169 3.266 . 0 0 "[ . 1 . 2]" 3
75 1 12 SER O 1 113 THR H 0.000 . 2.300 2.284 2.230 2.316 0.016 4 0 "[ . 1 . 2]" 3
76 1 12 SER O 1 113 THR N 0.000 . 3.300 3.168 3.113 3.232 . 0 0 "[ . 1 . 2]" 3
77 1 10 PHE O 1 115 ILE H 0.000 . 2.300 1.699 1.578 1.915 . 0 0 "[ . 1 . 2]" 3
78 1 10 PHE O 1 115 ILE N 0.000 . 3.300 2.602 2.489 2.729 . 0 0 "[ . 1 . 2]" 3
79 1 104 LYS O 1 116 LYS H 0.000 . 2.300 2.112 1.812 2.317 0.017 18 0 "[ . 1 . 2]" 3
80 1 104 LYS O 1 116 LYS N 0.000 . 3.300 3.024 2.720 3.210 . 0 0 "[ . 1 . 2]" 3
81 1 8 ASN O 1 117 THR H 0.000 . 2.300 1.885 1.580 2.126 . 0 0 "[ . 1 . 2]" 3
82 1 8 ASN O 1 117 THR N 0.000 . 3.300 2.826 2.509 3.082 . 0 0 "[ . 1 . 2]" 3
83 1 102 GLU O 1 118 THR H 0.000 . 2.300 2.092 1.865 2.239 . 0 0 "[ . 1 . 2]" 3
84 1 102 GLU O 1 118 THR N 0.000 . 3.300 2.988 2.722 3.216 . 0 0 "[ . 1 . 2]" 3
85 1 6 TYR O 1 119 SER H 0.000 . 2.300 2.134 1.933 2.311 0.011 9 0 "[ . 1 . 2]" 3
86 1 6 TYR O 1 119 SER N 0.000 . 3.300 3.047 2.824 3.195 . 0 0 "[ . 1 . 2]" 3
87 1 100 ASP O 1 120 LYS H 0.000 . 2.300 1.952 1.634 2.321 0.021 11 0 "[ . 1 . 2]" 3
88 1 100 ASP O 1 120 LYS N 0.000 . 3.300 2.794 2.550 3.156 . 0 0 "[ . 1 . 2]" 3
89 1 98 LYS O 1 122 HIS H 0.000 . 2.300 2.312 2.236 2.336 0.036 17 0 "[ . 1 . 2]" 3
90 1 98 LYS O 1 122 HIS N 0.000 . 3.300 3.196 3.036 3.268 . 0 0 "[ . 1 . 2]" 3
91 1 130 LYS O 1 133 HIS H 0.000 . 2.300 2.148 1.903 2.242 . 0 0 "[ . 1 . 2]" 3
92 1 130 LYS O 1 133 HIS N 0.000 . 3.300 2.813 2.619 2.932 . 0 0 "[ . 1 . 2]" 3
93 1 130 LYS O 1 134 VAL H 0.000 . 2.300 2.186 2.112 2.300 0.000 8 0 "[ . 1 . 2]" 3
94 1 130 LYS O 1 134 VAL N 0.000 . 3.300 3.123 3.055 3.229 . 0 0 "[ . 1 . 2]" 3
95 1 131 GLU O 1 135 LYS H 0.000 . 2.300 1.904 1.773 1.963 . 0 0 "[ . 1 . 2]" 3
96 1 131 GLU O 1 135 LYS N 0.000 . 3.300 2.872 2.746 2.932 . 0 0 "[ . 1 . 2]" 3
97 1 136 ALA O 1 140 LYS H 0.000 . 2.300 2.070 1.724 2.308 0.008 1 0 "[ . 1 . 2]" 3
98 1 136 ALA O 1 140 LYS N 0.000 . 3.300 3.013 2.652 3.270 . 0 0 "[ . 1 . 2]" 3
99 1 137 GLY O 1 141 ALA H 0.000 . 2.300 2.181 1.960 2.303 0.003 6 0 "[ . 1 . 2]" 3
100 1 137 GLY O 1 141 ALA N 0.000 . 3.300 3.122 2.916 3.244 . 0 0 "[ . 1 . 2]" 3
101 1 138 LYS O 1 142 ALA H 0.000 . 2.300 2.046 1.820 2.183 . 0 0 "[ . 1 . 2]" 3
102 1 138 LYS O 1 142 ALA N 0.000 . 3.300 3.005 2.786 3.106 . 0 0 "[ . 1 . 2]" 3
103 1 139 GLU O 1 143 HIS H 0.000 . 2.300 1.871 1.638 2.177 . 0 0 "[ . 1 . 2]" 3
104 1 139 GLU O 1 143 HIS N 0.000 . 3.300 2.792 2.565 3.022 . 0 0 "[ . 1 . 2]" 3
105 1 140 LYS O 1 144 LEU H 0.000 . 2.300 2.216 2.090 2.310 0.010 5 0 "[ . 1 . 2]" 3
106 1 140 LYS O 1 144 LEU N 0.000 . 3.300 3.140 3.036 3.252 . 0 0 "[ . 1 . 2]" 3
107 1 141 ALA O 1 145 PHE H 0.000 . 2.300 2.190 1.921 2.310 0.010 7 0 "[ . 1 . 2]" 3
108 1 141 ALA O 1 145 PHE N 0.000 . 3.300 3.138 2.825 3.273 . 0 0 "[ . 1 . 2]" 3
109 1 144 LEU O 1 147 LEU H 0.000 . 2.300 2.254 2.073 2.311 0.011 9 0 "[ . 1 . 2]" 3
110 1 144 LEU O 1 147 LEU N 0.000 . 3.300 2.857 2.761 2.910 . 0 0 "[ . 1 . 2]" 3
111 1 144 LEU O 1 148 ILE H 0.000 . 2.300 2.179 1.900 2.310 0.010 14 0 "[ . 1 . 2]" 3
112 1 144 LEU O 1 148 ILE N 0.000 . 3.300 3.099 2.849 3.241 . 0 0 "[ . 1 . 2]" 3
113 1 146 LYS O 1 150 GLY H 0.000 . 2.300 2.203 1.874 2.308 0.008 9 0 "[ . 1 . 2]" 3
114 1 146 LYS O 1 150 GLY N 0.000 . 3.300 3.132 2.789 3.256 . 0 0 "[ . 1 . 2]" 3
115 1 147 LEU O 1 151 TYR H 0.000 . 2.300 1.815 1.605 2.143 . 0 0 "[ . 1 . 2]" 3
116 1 147 LEU O 1 151 TYR N 0.000 . 3.300 2.688 2.442 3.000 . 0 0 "[ . 1 . 2]" 3
117 1 149 GLU O 1 153 LYS H 0.000 . 2.300 2.071 1.580 2.300 0.000 16 0 "[ . 1 . 2]" 3
118 1 149 GLU O 1 153 LYS N 0.000 . 3.300 3.007 2.507 3.254 . 0 0 "[ . 1 . 2]" 3
119 1 150 GLY O 1 154 ASP H 0.000 . 2.300 2.059 1.770 2.315 0.015 20 0 "[ . 1 . 2]" 3
120 1 150 GLY O 1 154 ASP N 0.000 . 3.300 2.958 2.696 3.175 . 0 0 "[ . 1 . 2]" 3
121 1 151 TYR O 1 155 HIS H 0.000 . 2.300 2.184 1.916 2.302 0.002 12 0 "[ . 1 . 2]" 3
122 1 151 TYR O 1 155 HIS N 0.000 . 3.300 2.989 2.574 3.267 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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