NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396233 |
1s7e   |
5678 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1s7e
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 1263
_Distance_constraint_stats_list.Viol_count 1583
_Distance_constraint_stats_list.Viol_total 6338.854
_Distance_constraint_stats_list.Viol_max 0.877
_Distance_constraint_stats_list.Viol_rms 0.0787
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0125
_Distance_constraint_stats_list.Viol_average_violations_only 0.2002
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 0.198 0.137 14 0 "[ . 1 . 2]"
1 2 ILE 1.520 0.161 11 0 "[ . 1 . 2]"
1 3 ASN 4.085 0.214 19 0 "[ . 1 . 2]"
1 4 THR 1.421 0.144 19 0 "[ . 1 . 2]"
1 5 LYS 25.329 0.813 7 14 "[ *****+- * * ** * **]"
1 6 GLU 13.322 0.769 9 9 "[ * .* *+*- * .** 2]"
1 7 VAL 4.114 0.368 16 0 "[ . 1 . 2]"
1 8 ALA 29.185 0.810 19 20 [***********-******+*]
1 9 GLN 39.612 0.813 7 17 "[******+* * **** ****]"
1 10 ARG 14.193 0.769 9 9 "[ * .* *+*- * .** 2]"
1 11 ILE 10.683 0.723 9 2 "[ - . +1 . 2]"
1 12 THR 29.459 0.810 19 20 [***********-******+*]
1 13 THR 15.951 0.755 10 9 "[* .*-* + * . ***2]"
1 14 GLU 2.292 0.211 14 0 "[ . 1 . 2]"
1 15 LEU 7.785 0.723 9 2 "[ - . +1 . 2]"
1 16 LYS 1.911 0.175 13 0 "[ . 1 . 2]"
1 17 ARG 1.140 0.146 20 0 "[ . 1 . 2]"
1 18 TYR 2.186 0.180 13 0 "[ . 1 . 2]"
1 19 SER 1.112 0.146 20 0 "[ . 1 . 2]"
1 20 ILE 0.904 0.123 16 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLN 10.193 0.725 19 11 "[ * -** *** *. *+*]"
1 23 ALA 20.309 0.763 2 15 "[ +*-* ** *** *.*****]"
1 24 ILE 6.342 0.505 8 1 "[ . + 1 . 2]"
1 25 PHE 0.885 0.157 11 0 "[ . 1 . 2]"
1 26 ALA 10.830 0.725 19 11 "[ * -** *** *. *+*]"
1 27 GLN 20.940 0.763 2 15 "[ +*-* ** *** *.*****]"
1 28 ARG 6.369 0.505 8 1 "[ . + 1 . 2]"
1 29 VAL 0.989 0.091 10 0 "[ . 1 . 2]"
1 30 LEU 0.903 0.105 17 0 "[ . 1 . 2]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ARG 0.245 0.087 16 0 "[ . 1 . 2]"
1 33 SER 0.608 0.125 8 0 "[ . 1 . 2]"
1 34 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.069 0.037 3 0 "[ . 1 . 2]"
1 36 THR 8.643 0.752 19 4 "[ . 1 * *- +2]"
1 37 LEU 6.607 0.699 13 4 "[ * . * 1 + . -]"
1 38 SER 0.350 0.082 12 0 "[ . 1 . 2]"
1 39 ASP 0.949 0.153 19 0 "[ . 1 . 2]"
1 40 LEU 8.425 0.752 19 4 "[ . 1 * *- +2]"
1 41 LEU 9.071 0.699 13 4 "[ * . * 1 + . -]"
1 42 ARG 0.607 0.201 14 0 "[ . 1 . 2]"
1 43 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 0.103 0.055 15 0 "[ . 1 . 2]"
1 46 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 TRP 1.180 0.214 19 0 "[ . 1 . 2]"
1 48 SER 0.467 0.057 7 0 "[ . 1 . 2]"
1 49 LYS 0.540 0.196 18 0 "[ . 1 . 2]"
1 50 LEU 0.723 0.196 18 0 "[ . 1 . 2]"
1 51 LYS 0.022 0.010 17 0 "[ . 1 . 2]"
1 52 SER 0.050 0.020 20 0 "[ . 1 . 2]"
1 53 GLY 0.036 0.020 20 0 "[ . 1 . 2]"
1 54 ARG 20.246 0.743 19 14 "[ *** * ** *-****+*]"
1 55 GLU 6.925 0.519 12 1 "[ . 1 + . 2]"
1 56 THR 18.066 0.735 3 13 "[**+*. *** ** ***- 2]"
1 57 PHE 23.947 0.744 14 13 "[ *** * * -*+** ***]"
1 58 ARG 28.774 0.743 19 15 "[ *** * *** *-****+*]"
1 59 ARG 35.693 0.861 19 20 [*******-**********+*]
1 60 MET 44.528 0.877 19 20 [**************-***+*]
1 61 TRP 21.784 0.744 14 13 "[ *** * * -*+** ***]"
1 62 LYS 8.283 0.697 11 4 "[ . * 1+ - *2]"
1 63 TRP 30.298 0.861 19 20 [*******-**********+*]
1 64 LEU 27.157 0.877 19 19 "[*** **********-***+*]"
1 65 GLN 1.888 0.259 10 0 "[ . 1 . 2]"
1 66 GLU 0.302 0.077 16 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLU 1.922 0.259 10 0 "[ . 1 . 2]"
1 69 PHE 0.454 0.227 18 0 "[ . 1 . 2]"
1 70 GLN 0.325 0.180 16 0 "[ . 1 . 2]"
1 71 ARG 0.115 0.057 6 0 "[ . 1 . 2]"
1 72 MET 0.388 0.180 16 0 "[ . 1 . 2]"
1 73 SER 0.005 0.005 19 0 "[ . 1 . 2]"
1 74 ALA 0.557 0.056 2 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.013 0.007 1 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LYS 0.162 0.107 13 0 "[ . 1 . 2]"
1 99 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LEU 1.298 0.237 9 0 "[ . 1 . 2]"
1 101 VAL 1.318 0.237 9 0 "[ . 1 . 2]"
1 102 PHE 0.786 0.193 17 0 "[ . 1 . 2]"
1 103 THR 2.025 0.176 8 0 "[ . 1 . 2]"
1 104 ASP 1.782 0.156 5 0 "[ . 1 . 2]"
1 105 VAL 2.448 0.156 5 0 "[ . 1 . 2]"
1 106 GLN 2.509 0.176 8 0 "[ . 1 . 2]"
1 107 ARG 1.589 0.130 1 0 "[ . 1 . 2]"
1 108 ARG 1.002 0.125 20 0 "[ . 1 . 2]"
1 109 THR 0.819 0.122 6 0 "[ . 1 . 2]"
1 110 LEU 1.109 0.125 20 0 "[ . 1 . 2]"
1 111 HIS 0.426 0.097 15 0 "[ . 1 . 2]"
1 112 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ILE 0.139 0.084 6 0 "[ . 1 . 2]"
1 114 PHE 0.448 0.097 15 0 "[ . 1 . 2]"
1 115 LYS 1.747 0.156 19 0 "[ . 1 . 2]"
1 116 GLU 1.866 0.156 19 0 "[ . 1 . 2]"
1 117 ASN 0.305 0.056 19 0 "[ . 1 . 2]"
1 118 LYS 0.096 0.038 14 0 "[ . 1 . 2]"
1 119 ARG 0.069 0.054 13 0 "[ . 1 . 2]"
1 120 PRO 0.112 0.041 18 0 "[ . 1 . 2]"
1 121 SER 0.786 0.214 19 0 "[ . 1 . 2]"
1 122 LYS 0.775 0.214 19 0 "[ . 1 . 2]"
1 123 GLU 0.437 0.087 7 0 "[ . 1 . 2]"
1 124 LEU 0.215 0.076 2 0 "[ . 1 . 2]"
1 125 GLN 0.460 0.081 12 0 "[ . 1 . 2]"
1 126 ILE 0.127 0.087 7 0 "[ . 1 . 2]"
1 127 THR 0.192 0.099 20 0 "[ . 1 . 2]"
1 128 ILE 0.740 0.194 20 0 "[ . 1 . 2]"
1 129 SER 0.625 0.099 20 0 "[ . 1 . 2]"
1 130 GLN 0.015 0.010 16 0 "[ . 1 . 2]"
1 131 GLN 0.060 0.023 16 0 "[ . 1 . 2]"
1 132 LEU 0.605 0.194 20 0 "[ . 1 . 2]"
1 133 GLY 0.093 0.048 17 0 "[ . 1 . 2]"
1 134 LEU 0.508 0.218 8 0 "[ . 1 . 2]"
1 135 GLU 0.350 0.218 8 0 "[ . 1 . 2]"
1 136 LEU 0.566 0.099 10 0 "[ . 1 . 2]"
1 137 SER 0.440 0.172 8 0 "[ . 1 . 2]"
1 138 THR 1.015 0.172 8 0 "[ . 1 . 2]"
1 139 VAL 0.525 0.087 8 0 "[ . 1 . 2]"
1 140 SER 1.354 0.119 7 0 "[ . 1 . 2]"
1 141 ASN 0.190 0.064 13 0 "[ . 1 . 2]"
1 142 PHE 0.306 0.064 13 0 "[ . 1 . 2]"
1 143 PHE 2.608 0.119 7 0 "[ . 1 . 2]"
1 144 MET 0.477 0.106 4 0 "[ . 1 . 2]"
1 145 ASN 0.495 0.114 16 0 "[ . 1 . 2]"
1 146 ALA 0.762 0.081 16 0 "[ . 1 . 2]"
1 147 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU H1 1 1 GLU HA . . 3.000 2.564 2.171 2.910 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLU HA 1 2 ILE H . . 4.000 2.964 2.315 3.643 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLU H1 1 2 ILE H . . 3.000 2.593 1.898 3.137 0.137 14 0 "[ . 1 . 2]" 1
4 1 1 GLU H1 1 1 GLU QB . . 4.000 2.899 2.213 3.369 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLU QB 1 2 ILE H . . 4.500 3.656 2.437 4.047 . 0 0 "[ . 1 . 2]" 1
6 1 1 GLU H1 1 1 GLU QG . . 5.500 3.689 2.515 4.359 . 0 0 "[ . 1 . 2]" 1
7 1 1 GLU QG 1 2 ILE H . . 5.500 4.478 4.103 4.863 . 0 0 "[ . 1 . 2]" 1
8 1 2 ILE H 1 2 ILE HA . . 3.000 2.592 2.206 2.939 . 0 0 "[ . 1 . 2]" 1
9 1 2 ILE HA 1 3 ASN H . . 4.000 2.680 2.177 3.640 . 0 0 "[ . 1 . 2]" 1
10 1 2 ILE HB 1 3 ASN H . . 4.500 4.299 2.522 4.661 0.161 11 0 "[ . 1 . 2]" 1
11 1 2 ILE H 1 3 ASN H . . 4.000 3.219 1.906 4.065 0.065 7 0 "[ . 1 . 2]" 1
12 1 2 ILE MD 1 3 ASN H . . 6.500 4.440 3.093 5.237 . 0 0 "[ . 1 . 2]" 1
13 1 2 ILE QG 1 61 TRP H . . 6.500 5.796 5.618 5.948 . 0 0 "[ . 1 . 2]" 1
14 1 2 ILE QG 1 3 ASN H . . 5.500 4.141 1.946 4.803 . 0 0 "[ . 1 . 2]" 1
15 1 2 ILE MG 1 61 TRP H . . 6.500 5.305 5.121 5.406 . 0 0 "[ . 1 . 2]" 1
16 1 2 ILE MG 1 3 ASN H . . 4.500 3.257 2.655 3.745 . 0 0 "[ . 1 . 2]" 1
17 1 3 ASN HA 1 5 LYS H . . 5.000 4.651 3.667 5.115 0.115 8 0 "[ . 1 . 2]" 1
18 1 3 ASN HB2 1 4 THR H . . 4.500 3.696 2.500 4.604 0.104 7 0 "[ . 1 . 2]" 1
19 1 3 ASN HB3 1 4 THR H . . 4.500 2.594 1.882 4.102 . 0 0 "[ . 1 . 2]" 1
20 1 3 ASN H 1 47 TRP HD1 . . 5.500 5.320 4.098 5.714 0.214 19 0 "[ . 1 . 2]" 1
21 1 3 ASN H 1 47 TRP HE1 . . 5.500 5.169 4.672 5.533 0.033 14 0 "[ . 1 . 2]" 1
22 1 3 ASN H 1 4 THR H . . 4.500 4.311 3.368 4.591 0.091 18 0 "[ . 1 . 2]" 1
23 1 3 ASN H 1 5 LYS H . . 6.000 6.012 5.597 6.192 0.192 14 0 "[ . 1 . 2]" 1
24 1 4 THR HA 1 5 LYS H . . 5.000 3.612 3.564 3.632 . 0 0 "[ . 1 . 2]" 1
25 1 4 THR HA 1 6 GLU H . . 5.000 4.854 4.409 5.099 0.099 16 0 "[ . 1 . 2]" 1
26 1 4 THR HA 1 7 VAL HB . . 5.500 3.633 1.956 4.256 . 0 0 "[ . 1 . 2]" 1
27 1 4 THR HA 1 7 VAL H . . 4.000 3.951 3.148 4.144 0.144 19 0 "[ . 1 . 2]" 1
28 1 4 THR HA 1 8 ALA H . . 5.000 4.415 3.874 4.983 . 0 0 "[ . 1 . 2]" 1
29 1 4 THR HB 1 5 LYS H . . 4.500 3.114 2.502 3.853 . 0 0 "[ . 1 . 2]" 1
30 1 4 THR H 1 4 THR HB . . 3.500 2.619 2.143 3.630 0.130 15 0 "[ . 1 . 2]" 1
31 1 4 THR H 1 5 LYS H . . 3.500 2.318 2.081 2.817 . 0 0 "[ . 1 . 2]" 1
32 1 4 THR H 1 6 GLU H . . 5.000 3.373 2.916 4.647 . 0 0 "[ . 1 . 2]" 1
33 1 4 THR H 1 7 VAL HB . . 5.500 4.402 3.920 4.843 . 0 0 "[ . 1 . 2]" 1
34 1 4 THR H 1 7 VAL H . . 6.000 3.884 3.540 4.723 . 0 0 "[ . 1 . 2]" 1
35 1 4 THR H 1 41 LEU QD . . 8.900 4.590 4.127 5.414 . 0 0 "[ . 1 . 2]" 1
36 1 4 THR H 1 47 TRP HD1 . . 5.500 3.291 1.846 4.011 . 0 0 "[ . 1 . 2]" 1
37 1 4 THR H 1 47 TRP HE1 . . 5.500 4.511 3.379 5.351 . 0 0 "[ . 1 . 2]" 1
38 1 4 THR H 1 47 TRP H . . 6.000 3.765 3.351 4.876 . 0 0 "[ . 1 . 2]" 1
39 1 4 THR H 1 47 TRP QB . . 6.500 5.356 3.918 5.846 . 0 0 "[ . 1 . 2]" 1
40 1 3 ASN HA 1 4 THR H . . 4.000 2.641 2.265 2.892 . 0 0 "[ . 1 . 2]" 1
41 1 4 THR MG 1 5 LYS H . . 5.500 3.017 1.767 4.144 . 0 0 "[ . 1 . 2]" 1
42 1 4 THR MG 1 47 TRP H . . 6.500 2.953 1.827 3.885 . 0 0 "[ . 1 . 2]" 1
43 1 4 THR H 1 4 THR MG . . 4.500 3.060 1.932 3.687 . 0 0 "[ . 1 . 2]" 1
44 1 5 LYS HA 1 6 GLU H . . 4.000 3.588 3.510 3.639 . 0 0 "[ . 1 . 2]" 1
45 1 5 LYS HA 1 8 ALA MB . . 4.500 2.881 2.350 3.410 . 0 0 "[ . 1 . 2]" 1
46 1 5 LYS H 1 6 GLU H . . 3.000 2.279 2.060 2.743 . 0 0 "[ . 1 . 2]" 1
47 1 5 LYS H 1 7 VAL H . . 5.000 3.622 3.349 4.149 . 0 0 "[ . 1 . 2]" 1
48 1 5 LYS H 1 8 ALA H . . 6.000 4.800 4.542 5.182 . 0 0 "[ . 1 . 2]" 1
49 1 5 LYS H 1 8 ALA MB . . 6.500 5.002 4.559 5.391 . 0 0 "[ . 1 . 2]" 1
50 1 5 LYS H 1 41 LEU QD . . 7.900 3.503 3.032 4.274 . 0 0 "[ . 1 . 2]" 1
51 1 5 LYS H 1 48 SER QB . . 6.500 5.787 5.509 5.973 . 0 0 "[ . 1 . 2]" 1
52 1 5 LYS O 1 9 GLN H . . 1.700 2.295 1.934 2.513 0.813 7 14 "[ *****+- * * ** * **]" 1
53 1 5 LYS O 1 9 GLN N . . 2.700 3.271 2.930 3.462 0.762 19 14 "[ ******- * * ** * +*]" 1
54 1 5 LYS QB 1 6 GLU H . . 4.500 2.865 2.277 3.706 . 0 0 "[ . 1 . 2]" 1
55 1 5 LYS QG 1 6 GLU H . . 6.500 3.898 1.944 4.635 . 0 0 "[ . 1 . 2]" 1
56 1 6 GLU HA 1 7 VAL H . . 4.000 3.528 3.486 3.642 . 0 0 "[ . 1 . 2]" 1
57 1 6 GLU HA 1 8 ALA H . . 5.000 4.692 4.015 5.028 0.028 3 0 "[ . 1 . 2]" 1
58 1 6 GLU HA 1 9 GLN QB . . 4.500 3.029 2.690 3.390 . 0 0 "[ . 1 . 2]" 1
59 1 6 GLU H 1 7 VAL H . . 3.000 2.581 2.396 2.867 . 0 0 "[ . 1 . 2]" 1
60 1 6 GLU H 1 8 ALA H . . 5.000 4.446 3.983 4.850 . 0 0 "[ . 1 . 2]" 1
61 1 6 GLU H 1 9 GLN H . . 6.000 5.099 4.882 5.281 . 0 0 "[ . 1 . 2]" 1
62 1 6 GLU H 1 9 GLN QB . . 6.500 5.132 4.806 5.560 . 0 0 "[ . 1 . 2]" 1
63 1 6 GLU H 1 57 PHE CZ . . 7.500 6.886 6.518 7.169 . 0 0 "[ . 1 . 2]" 1
64 1 6 GLU H 1 57 PHE HZ . . 6.500 6.185 5.746 6.551 0.051 12 0 "[ . 1 . 2]" 1
65 1 6 GLU H 1 57 PHE QE . . 7.500 6.161 5.560 6.700 . 0 0 "[ . 1 . 2]" 1
66 1 6 GLU O 1 10 ARG H . . 1.700 2.123 1.623 2.469 0.769 9 9 "[ * .* *+*- * .** 2]" 1
67 1 6 GLU O 1 10 ARG N . . 2.700 2.869 2.493 3.153 0.453 2 0 "[ . 1 . 2]" 1
68 1 6 GLU QB 1 7 VAL H . . 5.500 3.016 2.440 3.148 . 0 0 "[ . 1 . 2]" 1
69 1 6 GLU QG 1 7 VAL H . . 5.500 4.604 4.253 4.716 . 0 0 "[ . 1 . 2]" 1
70 1 7 VAL H 1 7 VAL HA . . 3.000 2.830 2.678 2.875 . 0 0 "[ . 1 . 2]" 1
71 1 7 VAL HA 1 8 ALA H . . 4.000 3.627 3.590 3.641 . 0 0 "[ . 1 . 2]" 1
72 1 7 VAL HA 1 10 ARG QB . . 4.500 2.011 1.854 2.391 . 0 0 "[ . 1 . 2]" 1
73 1 5 LYS HA 1 7 VAL H . . 5.000 4.028 3.723 5.036 0.036 7 0 "[ . 1 . 2]" 1
74 1 6 GLU HB2 1 7 VAL H . . 3.500 3.421 2.574 3.559 0.059 3 0 "[ . 1 . 2]" 1
75 1 6 GLU HB3 1 7 VAL H . . 3.500 3.371 3.027 3.529 0.029 17 0 "[ . 1 . 2]" 1
76 1 7 VAL H 1 8 ALA H . . 3.000 2.653 2.408 2.929 . 0 0 "[ . 1 . 2]" 1
77 1 7 VAL H 1 9 GLN H . . 5.000 4.268 3.728 4.957 . 0 0 "[ . 1 . 2]" 1
78 1 7 VAL H 1 10 ARG H . . 6.000 4.385 4.184 4.518 . 0 0 "[ . 1 . 2]" 1
79 1 7 VAL H 1 10 ARG QB . . 6.500 4.158 3.617 4.371 . 0 0 "[ . 1 . 2]" 1
80 1 7 VAL H 1 57 PHE CG . . 7.500 7.328 7.040 7.584 0.084 7 0 "[ . 1 . 2]" 1
81 1 7 VAL H 1 57 PHE CZ . . 7.000 5.722 5.371 6.321 . 0 0 "[ . 1 . 2]" 1
82 1 7 VAL H 1 57 PHE HZ . . 6.500 5.358 4.821 6.107 . 0 0 "[ . 1 . 2]" 1
83 1 7 VAL H 1 57 PHE QE . . 6.500 4.858 3.747 5.588 . 0 0 "[ . 1 . 2]" 1
84 1 7 VAL O 1 11 ILE H . . 1.700 1.789 1.651 2.068 0.368 16 0 "[ . 1 . 2]" 1
85 1 7 VAL O 1 11 ILE N . . 2.700 2.711 2.612 2.940 0.240 16 0 "[ . 1 . 2]" 1
86 1 7 VAL MG1 1 8 ALA H . . 5.500 1.932 1.709 2.388 . 0 0 "[ . 1 . 2]" 1
87 1 7 VAL MG2 1 8 ALA H . . 5.500 3.764 3.312 4.069 . 0 0 "[ . 1 . 2]" 1
88 1 7 VAL HB 1 8 ALA H . . 4.000 3.489 2.560 3.944 . 0 0 "[ . 1 . 2]" 1
89 1 7 VAL MG1 1 57 PHE HZ . . 5.500 3.300 2.307 4.202 . 0 0 "[ . 1 . 2]" 1
90 1 7 VAL MG1 1 57 PHE QE . . 5.500 2.426 1.858 3.217 . 0 0 "[ . 1 . 2]" 1
91 1 7 VAL MG2 1 57 PHE HZ . . 7.500 5.401 4.282 5.840 . 0 0 "[ . 1 . 2]" 1
92 1 7 VAL MG2 1 57 PHE QE . . 6.500 4.136 2.377 4.966 . 0 0 "[ . 1 . 2]" 1
93 1 7 VAL QG 1 41 LEU QD . . 8.900 3.228 2.756 3.756 . 0 0 "[ . 1 . 2]" 1
94 1 7 VAL QG 1 47 TRP H . . 8.900 6.279 6.011 6.648 . 0 0 "[ . 1 . 2]" 1
95 1 7 VAL QG 1 57 PHE CG . . 7.500 3.579 3.207 3.802 . 0 0 "[ . 1 . 2]" 1
96 1 7 VAL QG 1 57 PHE CZ . . 7.500 3.112 2.400 3.622 . 0 0 "[ . 1 . 2]" 1
97 1 7 VAL QG 1 57 PHE QB . . 6.500 3.921 3.603 4.187 . 0 0 "[ . 1 . 2]" 1
98 1 7 VAL QG 1 61 TRP H . . 7.900 4.325 3.876 4.768 . 0 0 "[ . 1 . 2]" 1
99 1 7 VAL MG1 1 61 TRP HD1 . . 6.500 3.899 2.479 4.860 . 0 0 "[ . 1 . 2]" 1
100 1 7 VAL MG2 1 61 TRP HD1 . . 6.500 2.873 1.986 4.243 . 0 0 "[ . 1 . 2]" 1
101 1 7 VAL HB 1 61 TRP HD1 . . 6.500 5.583 4.833 6.238 . 0 0 "[ . 1 . 2]" 1
102 1 8 ALA H 1 8 ALA HA . . 3.000 2.724 2.694 2.783 . 0 0 "[ . 1 . 2]" 1
103 1 8 ALA HA 1 11 ILE HB . . 4.500 3.272 2.912 3.663 . 0 0 "[ . 1 . 2]" 1
104 1 5 LYS HA 1 8 ALA H . . 4.000 3.480 3.241 4.011 0.011 3 0 "[ . 1 . 2]" 1
105 1 8 ALA H 1 9 GLN H . . 3.000 2.985 2.862 3.041 0.041 13 0 "[ . 1 . 2]" 1
106 1 8 ALA H 1 10 ARG H . . 5.000 3.924 3.585 4.464 . 0 0 "[ . 1 . 2]" 1
107 1 8 ALA H 1 11 ILE HB . . 6.000 5.543 5.142 5.971 . 0 0 "[ . 1 . 2]" 1
108 1 8 ALA H 1 11 ILE H . . 6.000 4.791 4.601 5.095 . 0 0 "[ . 1 . 2]" 1
109 1 8 ALA H 1 41 LEU QD . . 7.900 3.420 2.914 4.270 . 0 0 "[ . 1 . 2]" 1
110 1 8 ALA H 1 50 LEU QD . . 8.900 6.062 5.590 6.606 . 0 0 "[ . 1 . 2]" 1
111 1 8 ALA H 1 57 PHE CG . . 6.500 6.326 5.948 6.605 0.105 14 0 "[ . 1 . 2]" 1
112 1 8 ALA H 1 57 PHE CZ . . 6.500 4.753 4.305 4.991 . 0 0 "[ . 1 . 2]" 1
113 1 8 ALA O 1 12 THR H . . 1.700 2.474 2.404 2.510 0.810 19 20 [*************-****+*] 1
114 1 8 ALA O 1 12 THR N . . 2.700 3.365 3.160 3.447 0.747 17 18 "[** ***** **-****+***]" 1
115 1 8 ALA MB 1 9 GLN H . . 4.500 2.332 2.043 2.663 . 0 0 "[ . 1 . 2]" 1
116 1 8 ALA MB 1 36 THR H . . 7.500 5.979 5.356 6.184 . 0 0 "[ . 1 . 2]" 1
117 1 8 ALA MB 1 40 LEU H . . 6.500 5.406 5.318 5.479 . 0 0 "[ . 1 . 2]" 1
118 1 8 ALA MB 1 41 LEU QD . . 6.900 2.183 1.763 3.152 . 0 0 "[ . 1 . 2]" 1
119 1 9 GLN H 1 9 GLN HA . . 3.000 2.770 2.705 2.844 . 0 0 "[ . 1 . 2]" 1
120 1 9 GLN HA 1 12 THR HB . . 3.500 2.820 2.260 3.073 . 0 0 "[ . 1 . 2]" 1
121 1 5 LYS HA 1 9 GLN H . . 5.000 4.293 3.819 4.818 . 0 0 "[ . 1 . 2]" 1
122 1 6 GLU HA 1 9 GLN H . . 4.000 3.708 3.452 3.927 . 0 0 "[ . 1 . 2]" 1
123 1 7 VAL HA 1 9 GLN H . . 5.000 4.702 4.067 5.046 0.046 1 0 "[ . 1 . 2]" 1
124 1 8 ALA HA 1 9 GLN H . . 4.000 3.633 3.590 3.642 . 0 0 "[ . 1 . 2]" 1
125 1 9 GLN H 1 10 ARG H . . 3.000 2.648 2.405 2.797 . 0 0 "[ . 1 . 2]" 1
126 1 9 GLN H 1 11 ILE H . . 5.000 4.536 3.890 4.912 . 0 0 "[ . 1 . 2]" 1
127 1 9 GLN H 1 12 THR HB . . 5.500 5.326 4.734 5.574 0.074 15 0 "[ . 1 . 2]" 1
128 1 9 GLN H 1 12 THR H . . 6.000 5.053 4.791 5.251 . 0 0 "[ . 1 . 2]" 1
129 1 9 GLN H 1 38 SER QB . . 6.500 4.514 3.493 5.589 . 0 0 "[ . 1 . 2]" 1
130 1 9 GLN H 1 57 PHE CZ . . 7.500 7.469 7.089 7.721 0.221 4 0 "[ . 1 . 2]" 1
131 1 9 GLN O 1 13 THR H . . 1.700 2.096 1.679 2.455 0.755 10 9 "[* .*-* + * . ***2]" 1
132 1 9 GLN O 1 13 THR N . . 2.700 2.983 2.633 3.392 0.692 10 6 "[ .- * + * . * *2]" 1
133 1 9 GLN QB 1 10 ARG H . . 5.500 2.938 2.449 3.172 . 0 0 "[ . 1 . 2]" 1
134 1 9 GLN QG 1 10 ARG H . . 5.500 4.552 4.069 4.785 . 0 0 "[ . 1 . 2]" 1
135 1 10 ARG HA 1 13 THR HB . . 3.500 2.717 1.992 3.267 . 0 0 "[ . 1 . 2]" 1
136 1 6 GLU HA 1 10 ARG H . . 5.000 4.092 3.728 4.405 . 0 0 "[ . 1 . 2]" 1
137 1 7 VAL HA 1 10 ARG H . . 4.000 3.219 2.880 3.385 . 0 0 "[ . 1 . 2]" 1
138 1 8 ALA HA 1 10 ARG H . . 5.000 4.232 3.925 4.929 . 0 0 "[ . 1 . 2]" 1
139 1 9 GLN HA 1 10 ARG H . . 4.000 3.546 3.477 3.636 . 0 0 "[ . 1 . 2]" 1
140 1 9 GLN HB2 1 10 ARG H . . 3.500 3.379 2.731 3.566 0.066 7 0 "[ . 1 . 2]" 1
141 1 9 GLN HB3 1 10 ARG H . . 3.500 3.298 2.532 3.559 0.059 15 0 "[ . 1 . 2]" 1
142 1 10 ARG H 1 11 ILE H . . 3.000 2.769 2.550 2.920 . 0 0 "[ . 1 . 2]" 1
143 1 10 ARG H 1 12 THR H . . 5.000 4.070 3.594 4.807 . 0 0 "[ . 1 . 2]" 1
144 1 10 ARG H 1 13 THR HB . . 5.500 5.088 4.331 5.588 0.088 13 0 "[ . 1 . 2]" 1
145 1 10 ARG H 1 13 THR H . . 5.000 4.666 4.413 4.848 . 0 0 "[ . 1 . 2]" 1
146 1 10 ARG O 1 14 GLU H . . 1.700 1.735 1.638 1.911 0.211 14 0 "[ . 1 . 2]" 1
147 1 10 ARG O 1 14 GLU N . . 3.400 2.398 2.324 2.482 . 0 0 "[ . 1 . 2]" 1
148 1 10 ARG H 1 10 ARG QG . . 4.500 3.540 2.729 3.994 . 0 0 "[ . 1 . 2]" 1
149 1 10 ARG QB 1 11 ILE H . . 5.500 2.438 2.092 2.889 . 0 0 "[ . 1 . 2]" 1
150 1 11 ILE HA 1 14 GLU QB . . 5.500 2.206 1.890 2.768 . 0 0 "[ . 1 . 2]" 1
151 1 11 ILE HB 1 25 PHE HZ . . 5.500 4.856 4.209 5.567 0.067 6 0 "[ . 1 . 2]" 1
152 1 11 ILE HB 1 25 PHE CZ . . 6.500 5.547 5.079 6.040 . 0 0 "[ . 1 . 2]" 1
153 1 7 VAL HA 1 11 ILE H . . 5.000 3.849 3.580 4.155 . 0 0 "[ . 1 . 2]" 1
154 1 8 ALA HA 1 11 ILE H . . 4.000 3.691 3.464 3.957 . 0 0 "[ . 1 . 2]" 1
155 1 9 GLN HA 1 11 ILE H . . 5.000 4.661 3.933 5.122 0.122 12 0 "[ . 1 . 2]" 1
156 1 10 ARG HA 1 11 ILE H . . 4.000 3.629 3.551 3.651 . 0 0 "[ . 1 . 2]" 1
157 1 10 ARG HB2 1 11 ILE H . . 4.000 3.152 2.585 3.862 . 0 0 "[ . 1 . 2]" 1
158 1 10 ARG HB3 1 11 ILE H . . 4.000 2.618 2.123 3.490 . 0 0 "[ . 1 . 2]" 1
159 1 11 ILE H 1 11 ILE HA . . 3.000 2.727 2.651 2.832 . 0 0 "[ . 1 . 2]" 1
160 1 11 ILE H 1 12 THR H . . 3.000 2.855 2.605 3.023 0.023 10 0 "[ . 1 . 2]" 1
161 1 11 ILE H 1 13 THR H . . 4.500 4.307 3.563 4.551 0.051 6 0 "[ . 1 . 2]" 1
162 1 11 ILE H 1 14 GLU H . . 6.000 4.470 4.226 4.651 . 0 0 "[ . 1 . 2]" 1
163 1 11 ILE H 1 14 GLU QB . . 6.500 3.943 3.385 4.662 . 0 0 "[ . 1 . 2]" 1
164 1 11 ILE H 1 37 LEU QD . . 6.900 4.540 4.344 4.823 . 0 0 "[ . 1 . 2]" 1
165 1 11 ILE H 1 60 MET QB . . 6.500 5.199 4.757 5.597 . 0 0 "[ . 1 . 2]" 1
166 1 11 ILE H 1 64 LEU MD1 . . 6.500 3.860 3.406 4.341 . 0 0 "[ . 1 . 2]" 1
167 1 11 ILE H 1 64 LEU MD2 . . 6.500 4.344 3.762 5.072 . 0 0 "[ . 1 . 2]" 1
168 1 11 ILE O 1 15 LEU H . . 1.700 1.899 1.627 2.423 0.723 9 2 "[ - . +1 . 2]" 1
169 1 11 ILE O 1 15 LEU N . . 2.700 2.826 2.522 3.329 0.629 9 2 "[ - . +1 . 2]" 1
170 1 11 ILE H 1 11 ILE MD . . 5.500 2.630 2.229 2.992 . 0 0 "[ . 1 . 2]" 1
171 1 11 ILE MD 1 25 PHE HZ . . 5.500 4.434 4.242 4.652 . 0 0 "[ . 1 . 2]" 1
172 1 11 ILE MD 1 35 GLY H . . 7.500 5.753 5.360 6.156 . 0 0 "[ . 1 . 2]" 1
173 1 11 ILE MD 1 41 LEU QD . . 7.900 4.649 4.210 4.941 . 0 0 "[ . 1 . 2]" 1
174 1 11 ILE MD 1 61 TRP HD1 . . 6.500 2.434 1.968 3.187 . 0 0 "[ . 1 . 2]" 1
175 1 11 ILE MD 1 61 TRP HE1 . . 6.500 2.910 2.301 3.458 . 0 0 "[ . 1 . 2]" 1
176 1 11 ILE MD 1 63 TRP QB . . 7.500 5.352 5.140 5.543 . 0 0 "[ . 1 . 2]" 1
177 1 11 ILE MD 1 64 LEU MD1 . . 6.500 3.599 3.101 4.478 . 0 0 "[ . 1 . 2]" 1
178 1 11 ILE MD 1 64 LEU MD2 . . 6.500 3.949 3.239 4.480 . 0 0 "[ . 1 . 2]" 1
179 1 11 ILE QG 1 60 MET H . . 6.500 5.271 5.011 5.620 . 0 0 "[ . 1 . 2]" 1
180 1 11 ILE MD 1 60 MET QB . . 7.500 1.934 1.785 2.368 . 0 0 "[ . 1 . 2]" 1
181 1 11 ILE MD 1 60 MET QG . . 7.500 2.603 1.848 3.482 . 0 0 "[ . 1 . 2]" 1
182 1 11 ILE MG 1 60 MET QB . . 7.500 2.711 2.025 3.562 . 0 0 "[ . 1 . 2]" 1
183 1 11 ILE MG 1 60 MET QG . . 7.500 2.809 1.812 4.000 . 0 0 "[ . 1 . 2]" 1
184 1 11 ILE MG 1 25 PHE CG . . 7.500 4.821 4.721 4.920 . 0 0 "[ . 1 . 2]" 1
185 1 11 ILE MG 1 25 PHE CZ . . 7.500 2.960 2.687 3.316 . 0 0 "[ . 1 . 2]" 1
186 1 11 ILE MG 1 25 PHE HZ . . 4.500 2.361 1.988 2.922 . 0 0 "[ . 1 . 2]" 1
187 1 11 ILE MG 1 25 PHE QB . . 7.500 5.485 5.207 5.635 . 0 0 "[ . 1 . 2]" 1
188 1 11 ILE MG 1 25 PHE QD . . 5.500 4.237 3.738 4.508 . 0 0 "[ . 1 . 2]" 1
189 1 11 ILE MG 1 25 PHE QE . . 4.500 2.541 2.030 3.090 . 0 0 "[ . 1 . 2]" 1
190 1 11 ILE MG 1 64 LEU MD1 . . 5.500 3.462 2.594 3.664 . 0 0 "[ . 1 . 2]" 1
191 1 11 ILE MG 1 64 LEU MD2 . . 5.500 2.264 1.813 3.565 . 0 0 "[ . 1 . 2]" 1
192 1 11 ILE HB 1 12 THR H . . 4.000 2.799 2.321 3.327 . 0 0 "[ . 1 . 2]" 1
193 1 11 ILE MG 1 12 THR H . . 5.500 3.472 2.841 4.085 . 0 0 "[ . 1 . 2]" 1
194 1 11 ILE MD 1 12 THR H . . 5.500 4.136 3.876 4.430 . 0 0 "[ . 1 . 2]" 1
195 1 11 ILE QG 1 12 THR H . . 5.500 4.289 4.133 4.432 . 0 0 "[ . 1 . 2]" 1
196 1 12 THR HA 1 15 LEU QB . . 4.500 3.247 2.228 3.694 . 0 0 "[ . 1 . 2]" 1
197 1 8 ALA HA 1 12 THR H . . 5.000 4.691 4.395 4.830 . 0 0 "[ . 1 . 2]" 1
198 1 9 GLN HA 1 12 THR H . . 4.000 3.526 3.267 3.694 . 0 0 "[ . 1 . 2]" 1
199 1 10 ARG HA 1 12 THR H . . 5.000 4.211 3.690 5.111 0.111 11 0 "[ . 1 . 2]" 1
200 1 11 ILE HA 1 12 THR H . . 4.000 3.581 3.450 3.640 . 0 0 "[ . 1 . 2]" 1
201 1 12 THR H 1 12 THR HB . . 3.500 2.266 1.999 2.660 . 0 0 "[ . 1 . 2]" 1
202 1 12 THR H 1 13 THR H . . 3.000 2.654 2.257 2.896 . 0 0 "[ . 1 . 2]" 1
203 1 12 THR H 1 14 GLU H . . 5.000 3.639 3.282 4.289 . 0 0 "[ . 1 . 2]" 1
204 1 12 THR H 1 15 LEU H . . 6.000 4.685 4.339 4.921 . 0 0 "[ . 1 . 2]" 1
205 1 12 THR H 1 15 LEU QB . . 6.500 5.081 4.460 5.566 . 0 0 "[ . 1 . 2]" 1
206 1 12 THR MG 1 13 THR H . . 6.500 3.386 2.866 4.153 . 0 0 "[ . 1 . 2]" 1
207 1 12 THR HB 1 13 THR H . . 4.000 2.740 2.409 3.470 . 0 0 "[ . 1 . 2]" 1
208 1 13 THR H 1 13 THR HG1 . . 3.000 2.543 2.016 3.086 0.086 13 0 "[ . 1 . 2]" 1
209 1 9 GLN HA 1 13 THR H . . 5.000 4.332 3.750 4.790 . 0 0 "[ . 1 . 2]" 1
210 1 10 ARG HA 1 13 THR H . . 4.000 3.223 3.008 3.680 . 0 0 "[ . 1 . 2]" 1
211 1 11 ILE HA 1 13 THR H . . 5.000 4.561 3.764 5.020 0.020 5 0 "[ . 1 . 2]" 1
212 1 12 THR HA 1 13 THR H . . 4.000 3.592 3.455 3.630 . 0 0 "[ . 1 . 2]" 1
213 1 13 THR H 1 14 GLU H . . 3.000 2.434 2.208 2.687 . 0 0 "[ . 1 . 2]" 1
214 1 13 THR H 1 15 LEU H . . 5.000 4.366 3.675 4.810 . 0 0 "[ . 1 . 2]" 1
215 1 13 THR H 1 16 LYS H . . 6.000 5.928 5.440 6.175 0.175 13 0 "[ . 1 . 2]" 1
216 1 13 THR HA 1 16 LYS H . . 5.000 4.941 4.636 5.120 0.120 11 0 "[ . 1 . 2]" 1
217 1 13 THR HB 1 14 GLU H . . 4.000 3.457 2.838 3.710 . 0 0 "[ . 1 . 2]" 1
218 1 10 ARG HA 1 14 GLU H . . 5.000 4.001 3.667 4.211 . 0 0 "[ . 1 . 2]" 1
219 1 11 ILE HA 1 14 GLU H . . 4.000 3.310 3.062 3.688 . 0 0 "[ . 1 . 2]" 1
220 1 12 THR HA 1 14 GLU H . . 5.000 3.921 3.623 4.483 . 0 0 "[ . 1 . 2]" 1
221 1 13 THR HA 1 14 GLU H . . 4.000 3.387 3.292 3.579 . 0 0 "[ . 1 . 2]" 1
222 1 14 GLU H 1 15 LEU H . . 3.000 2.373 2.133 2.527 . 0 0 "[ . 1 . 2]" 1
223 1 14 GLU H 1 16 LYS H . . 5.000 4.830 4.607 5.126 0.126 14 0 "[ . 1 . 2]" 1
224 1 14 GLU H 1 18 TYR CG . . 7.500 7.540 7.392 7.680 0.180 13 0 "[ . 1 . 2]" 1
225 1 15 LEU H 1 15 LEU HG . . 5.000 3.940 2.105 4.486 . 0 0 "[ . 1 . 2]" 1
226 1 11 ILE HA 1 15 LEU H . . 5.000 3.476 3.029 4.382 . 0 0 "[ . 1 . 2]" 1
227 1 12 THR HA 1 15 LEU H . . 4.000 3.808 3.037 4.130 0.130 16 0 "[ . 1 . 2]" 1
228 1 13 THR HA 1 15 LEU H . . 5.000 4.687 3.931 5.066 0.066 11 0 "[ . 1 . 2]" 1
229 1 14 GLU HA 1 15 LEU H . . 4.000 3.609 3.450 3.644 . 0 0 "[ . 1 . 2]" 1
230 1 14 GLU HB2 1 15 LEU H . . 4.500 3.220 2.378 4.313 . 0 0 "[ . 1 . 2]" 1
231 1 14 GLU HB3 1 15 LEU H . . 4.500 2.891 2.319 4.006 . 0 0 "[ . 1 . 2]" 1
232 1 15 LEU H 1 16 LYS H . . 4.000 3.301 3.107 3.543 . 0 0 "[ . 1 . 2]" 1
233 1 15 LEU H 1 17 ARG H . . 5.000 4.426 2.774 5.027 0.027 19 0 "[ . 1 . 2]" 1
234 1 15 LEU H 1 20 ILE MG . . 6.500 5.144 4.724 5.436 . 0 0 "[ . 1 . 2]" 1
235 1 15 LEU H 1 64 LEU QD . . 7.900 3.452 2.827 4.334 . 0 0 "[ . 1 . 2]" 1
236 1 15 LEU QB 1 16 LYS H . . 5.500 2.022 1.798 2.117 . 0 0 "[ . 1 . 2]" 1
237 1 15 LEU HG 1 16 LYS H . . 5.500 4.424 4.038 4.599 . 0 0 "[ . 1 . 2]" 1
238 1 15 LEU MD1 1 16 LYS H . . 6.500 4.247 3.927 4.353 . 0 0 "[ . 1 . 2]" 1
239 1 15 LEU MD2 1 16 LYS H . . 6.500 3.979 3.807 4.385 . 0 0 "[ . 1 . 2]" 1
240 1 15 LEU MD1 1 25 PHE CZ . . 7.500 4.204 2.303 4.878 . 0 0 "[ . 1 . 2]" 1
241 1 15 LEU MD1 1 63 TRP H . . 6.500 4.953 4.543 5.309 . 0 0 "[ . 1 . 2]" 1
242 1 15 LEU MD1 1 64 LEU QD . . 6.500 1.900 1.584 2.898 . 0 0 "[ . 1 . 2]" 1
243 1 15 LEU MD2 1 25 PHE CZ . . 7.900 2.971 2.179 4.593 . 0 0 "[ . 1 . 2]" 1
244 1 15 LEU MD2 1 63 TRP H . . 6.500 5.226 4.464 5.393 . 0 0 "[ . 1 . 2]" 1
245 1 15 LEU MD2 1 64 LEU QD . . 6.500 2.598 1.607 3.582 . 0 0 "[ . 1 . 2]" 1
246 1 15 LEU QD 1 20 ILE H . . 7.900 4.896 4.058 5.893 . 0 0 "[ . 1 . 2]" 1
247 1 15 LEU QD 1 25 PHE CG . . 7.900 3.343 2.967 4.377 . 0 0 "[ . 1 . 2]" 1
248 1 15 LEU QD 1 25 PHE CZ . . 7.900 2.745 2.166 3.924 . 0 0 "[ . 1 . 2]" 1
249 1 15 LEU QD 1 25 PHE HB2 . . 7.900 3.948 3.494 4.632 . 0 0 "[ . 1 . 2]" 1
250 1 15 LEU QD 1 25 PHE HB3 . . 7.500 4.842 4.428 5.598 . 0 0 "[ . 1 . 2]" 1
251 1 15 LEU QD 1 25 PHE HZ . . 7.900 2.853 2.143 3.945 . 0 0 "[ . 1 . 2]" 1
252 1 15 LEU QD 1 61 TRP HD1 . . 7.900 5.805 5.526 6.001 . 0 0 "[ . 1 . 2]" 1
253 1 15 LEU QD 1 63 TRP HD1 . . 6.900 3.767 3.351 4.207 . 0 0 "[ . 1 . 2]" 1
254 1 15 LEU QD 1 63 TRP HZ2 . . 6.900 3.990 3.249 4.598 . 0 0 "[ . 1 . 2]" 1
255 1 15 LEU QD 1 65 GLN H . . 7.400 5.146 4.610 5.549 . 0 0 "[ . 1 . 2]" 1
256 1 16 LYS H 1 16 LYS HA . . 3.000 2.896 2.871 2.907 . 0 0 "[ . 1 . 2]" 1
257 1 16 LYS HA 1 17 ARG H . . 4.000 3.590 3.292 3.640 . 0 0 "[ . 1 . 2]" 1
258 1 16 LYS HA 1 20 ILE MD . . 6.500 4.428 3.829 5.253 . 0 0 "[ . 1 . 2]" 1
259 1 15 LEU HA 1 16 LYS H . . 4.000 3.586 3.557 3.608 . 0 0 "[ . 1 . 2]" 1
260 1 16 LYS H 1 17 ARG H . . 3.000 2.545 2.387 2.790 . 0 0 "[ . 1 . 2]" 1
261 1 16 LYS H 1 18 TYR H . . 5.000 4.091 3.544 4.487 . 0 0 "[ . 1 . 2]" 1
262 1 16 LYS H 1 20 ILE MD . . 6.500 2.927 2.068 3.239 . 0 0 "[ . 1 . 2]" 1
263 1 16 LYS QB 1 19 SER H . . 6.500 2.610 2.044 2.906 . 0 0 "[ . 1 . 2]" 1
264 1 16 LYS QB 1 17 ARG H . . 4.500 2.433 1.975 3.542 . 0 0 "[ . 1 . 2]" 1
265 1 16 LYS QB 1 20 ILE MD . . 7.500 2.957 2.465 3.802 . 0 0 "[ . 1 . 2]" 1
266 1 13 THR H 1 17 ARG HA . . 6.500 4.927 4.572 5.331 . 0 0 "[ . 1 . 2]" 1
267 1 17 ARG HA 1 18 TYR H . . 4.000 3.537 3.471 3.571 . 0 0 "[ . 1 . 2]" 1
268 1 17 ARG H 1 20 ILE MD . . 6.500 4.713 2.871 5.242 . 0 0 "[ . 1 . 2]" 1
269 1 17 ARG H 1 18 TYR H . . 4.000 2.029 1.827 2.901 . 0 0 "[ . 1 . 2]" 1
270 1 17 ARG H 1 19 SER H . . 5.000 2.928 2.642 3.975 . 0 0 "[ . 1 . 2]" 1
271 1 17 ARG QB 1 18 TYR H . . 4.500 3.138 2.762 3.594 . 0 0 "[ . 1 . 2]" 1
272 1 17 ARG H 1 17 ARG QD . . 5.500 4.544 3.751 4.991 . 0 0 "[ . 1 . 2]" 1
273 1 17 ARG QD 1 18 TYR H . . 5.500 4.399 3.296 4.931 . 0 0 "[ . 1 . 2]" 1
274 1 17 ARG QG 1 18 TYR H . . 5.500 3.639 2.001 4.768 . 0 0 "[ . 1 . 2]" 1
275 1 18 TYR HA 1 19 SER H . . 3.000 2.912 2.886 2.949 . 0 0 "[ . 1 . 2]" 1
276 1 16 LYS HA 1 18 TYR H . . 5.000 4.874 4.098 5.107 0.107 1 0 "[ . 1 . 2]" 1
277 1 18 TYR H 1 18 TYR HA . . 3.000 2.742 2.686 2.782 . 0 0 "[ . 1 . 2]" 1
278 1 18 TYR H 1 19 SER H . . 3.000 1.844 1.799 1.870 . 0 0 "[ . 1 . 2]" 1
279 1 18 TYR H 1 20 ILE H . . 4.500 4.474 4.226 4.623 0.123 16 0 "[ . 1 . 2]" 1
280 1 12 THR MG 1 18 TYR QB . . 6.500 3.817 3.465 4.474 . 0 0 "[ . 1 . 2]" 1
281 1 18 TYR QB 1 19 SER H . . 4.500 3.816 3.790 3.834 . 0 0 "[ . 1 . 2]" 1
282 1 19 SER HA 1 20 ILE H . . 4.000 2.505 2.415 2.676 . 0 0 "[ . 1 . 2]" 1
283 1 12 THR MG 1 19 SER H . . 6.500 2.914 1.873 3.842 . 0 0 "[ . 1 . 2]" 1
284 1 17 ARG HA 1 19 SER H . . 5.000 5.055 4.997 5.146 0.146 20 0 "[ . 1 . 2]" 1
285 1 19 SER H 1 19 SER HA . . 3.000 2.732 2.637 2.830 . 0 0 "[ . 1 . 2]" 1
286 1 19 SER H 1 20 ILE H . . 3.000 2.690 2.420 2.834 . 0 0 "[ . 1 . 2]" 1
287 1 19 SER H 1 20 ILE MG . . 6.500 4.136 3.483 5.380 . 0 0 "[ . 1 . 2]" 1
288 1 16 LYS H 1 19 SER QB . . 6.500 5.919 5.144 6.174 . 0 0 "[ . 1 . 2]" 1
289 1 19 SER QB 1 20 ILE H . . 4.500 3.972 3.931 3.998 . 0 0 "[ . 1 . 2]" 1
290 1 19 SER QB 1 22 GLN HE21 . . 6.500 5.557 5.215 5.959 . 0 0 "[ . 1 . 2]" 1
291 1 19 SER QB 1 22 GLN HE22 . . 6.500 5.425 5.164 5.649 . 0 0 "[ . 1 . 2]" 1
292 1 19 SER QB 1 22 GLN H . . 7.500 6.404 6.134 6.695 . 0 0 "[ . 1 . 2]" 1
293 1 20 ILE H 1 20 ILE HA . . 3.000 2.817 2.773 2.907 . 0 0 "[ . 1 . 2]" 1
294 1 20 ILE H 1 20 ILE HB . . 4.000 2.694 2.462 2.948 . 0 0 "[ . 1 . 2]" 1
295 1 18 TYR HA 1 20 ILE H . . 5.000 4.707 4.258 5.061 0.061 11 0 "[ . 1 . 2]" 1
296 1 20 ILE H 1 22 GLN H . . 6.000 5.678 5.105 6.062 0.062 11 0 "[ . 1 . 2]" 1
297 1 20 ILE H 1 34 GLN QB . . 6.500 4.303 2.834 5.740 . 0 0 "[ . 1 . 2]" 1
298 1 20 ILE H 1 34 GLN QG . . 7.500 4.833 2.251 6.066 . 0 0 "[ . 1 . 2]" 1
299 1 20 ILE MD 1 25 PHE CG . . 8.500 3.826 2.884 5.295 . 0 0 "[ . 1 . 2]" 1
300 1 20 ILE MD 1 25 PHE CZ . . 8.500 4.455 3.321 5.554 . 0 0 "[ . 1 . 2]" 1
301 1 20 ILE MD 1 35 GLY H . . 7.500 5.833 4.906 6.277 . 0 0 "[ . 1 . 2]" 1
302 1 20 ILE MD 1 63 TRP HZ2 . . 8.500 3.882 2.437 6.100 . 0 0 "[ . 1 . 2]" 1
303 1 20 ILE QG 1 35 GLY H . . 6.500 4.681 3.993 5.030 . 0 0 "[ . 1 . 2]" 1
304 1 20 ILE MG 1 33 SER H . . 7.500 5.735 5.124 6.188 . 0 0 "[ . 1 . 2]" 1
305 1 20 ILE MG 1 34 GLN H . . 5.500 3.873 2.208 4.615 . 0 0 "[ . 1 . 2]" 1
306 1 20 ILE MG 1 34 GLN QB . . 5.500 2.626 1.794 3.951 . 0 0 "[ . 1 . 2]" 1
307 1 20 ILE MG 1 34 GLN QG . . 6.500 3.499 1.737 4.312 . 0 0 "[ . 1 . 2]" 1
308 1 20 ILE MG 1 35 GLY H . . 5.500 3.263 2.660 3.669 . 0 0 "[ . 1 . 2]" 1
309 1 21 PRO HA 1 22 GLN H . . 4.000 2.255 2.172 2.348 . 0 0 "[ . 1 . 2]" 1
310 1 21 PRO HA 1 23 ALA H . . 5.000 3.428 3.117 4.362 . 0 0 "[ . 1 . 2]" 1
311 1 21 PRO QB 1 22 GLN H . . 5.500 3.842 3.692 3.959 . 0 0 "[ . 1 . 2]" 1
312 1 22 GLN H 1 25 PHE QB . . 6.500 4.173 3.879 4.560 . 0 0 "[ . 1 . 2]" 1
313 1 22 GLN HA 1 25 PHE QB . . 6.500 2.293 1.956 2.649 . 0 0 "[ . 1 . 2]" 1
314 1 22 GLN HE21 1 23 ALA H . . 6.500 4.443 3.628 5.439 . 0 0 "[ . 1 . 2]" 1
315 1 22 GLN HE22 1 23 ALA H . . 6.500 5.403 5.131 5.710 . 0 0 "[ . 1 . 2]" 1
316 1 22 GLN QG 1 23 ALA H . . 5.500 3.157 1.936 4.423 . 0 0 "[ . 1 . 2]" 1
317 1 22 GLN H 1 22 GLN QE . . 5.500 2.075 1.855 2.536 . 0 0 "[ . 1 . 2]" 1
318 1 22 GLN H 1 23 ALA H . . 4.000 2.959 2.841 3.321 . 0 0 "[ . 1 . 2]" 1
319 1 22 GLN H 1 23 ALA MB . . 6.500 4.469 4.391 4.587 . 0 0 "[ . 1 . 2]" 1
320 1 22 GLN H 1 24 ILE H . . 5.000 4.588 3.987 4.876 . 0 0 "[ . 1 . 2]" 1
321 1 22 GLN H 1 25 PHE H . . 6.000 4.654 4.499 4.896 . 0 0 "[ . 1 . 2]" 1
322 1 22 GLN O 1 26 ALA H . . 1.700 2.174 1.781 2.425 0.725 19 11 "[ * -** *** *. *+*]" 1
323 1 22 GLN O 1 26 ALA N . . 2.700 2.665 2.465 2.944 0.244 19 0 "[ . 1 . 2]" 1
324 1 22 GLN QE 1 23 ALA H . . 5.500 4.176 3.564 4.908 . 0 0 "[ . 1 . 2]" 1
325 1 22 GLN HA 1 23 ALA H . . 4.000 3.560 3.511 3.645 . 0 0 "[ . 1 . 2]" 1
326 1 22 GLN HB2 1 23 ALA H . . 4.500 3.262 2.034 3.895 . 0 0 "[ . 1 . 2]" 1
327 1 22 GLN HB3 1 23 ALA H . . 4.500 4.125 3.392 4.346 . 0 0 "[ . 1 . 2]" 1
328 1 23 ALA H 1 24 ILE H . . 3.000 2.787 2.563 3.133 0.133 15 0 "[ . 1 . 2]" 1
329 1 23 ALA H 1 25 PHE H . . 5.000 4.164 3.876 4.691 . 0 0 "[ . 1 . 2]" 1
330 1 23 ALA H 1 26 ALA H . . 6.000 4.621 4.433 4.793 . 0 0 "[ . 1 . 2]" 1
331 1 23 ALA H 1 26 ALA MB . . 6.500 4.244 3.846 4.500 . 0 0 "[ . 1 . 2]" 1
332 1 23 ALA O 1 27 GLN H . . 1.700 2.271 1.825 2.463 0.763 2 15 "[ +*** ** -** *.*****]" 1
333 1 23 ALA O 1 27 GLN N . . 2.700 3.133 2.651 3.394 0.694 14 12 "[ **-* * 1 * +.*****]" 1
334 1 23 ALA MB 1 24 ILE H . . 5.000 2.525 2.148 2.927 . 0 0 "[ . 1 . 2]" 1
335 1 24 ILE HA 1 25 PHE H . . 4.000 3.623 3.597 3.639 . 0 0 "[ . 1 . 2]" 1
336 1 24 ILE HA 1 27 GLN QB . . 4.500 3.213 2.095 3.839 . 0 0 "[ . 1 . 2]" 1
337 1 24 ILE H 1 24 ILE HB . . 3.000 2.174 2.036 2.436 . 0 0 "[ . 1 . 2]" 1
338 1 24 ILE HB 1 25 PHE H . . 4.000 2.741 2.399 3.124 . 0 0 "[ . 1 . 2]" 1
339 1 22 GLN HA 1 24 ILE H . . 5.000 4.443 3.816 5.035 0.035 13 0 "[ . 1 . 2]" 1
340 1 23 ALA HA 1 24 ILE H . . 4.000 3.620 3.526 3.642 . 0 0 "[ . 1 . 2]" 1
341 1 24 ILE H 1 24 ILE HA . . 3.000 2.835 2.771 2.886 . 0 0 "[ . 1 . 2]" 1
342 1 24 ILE H 1 25 PHE H . . 3.000 2.608 2.431 2.875 . 0 0 "[ . 1 . 2]" 1
343 1 24 ILE H 1 26 ALA H . . 5.000 3.686 3.424 3.851 . 0 0 "[ . 1 . 2]" 1
344 1 24 ILE H 1 27 GLN H . . 6.000 4.739 4.440 4.998 . 0 0 "[ . 1 . 2]" 1
345 1 24 ILE H 1 27 GLN QB . . 6.500 5.279 4.272 5.755 . 0 0 "[ . 1 . 2]" 1
346 1 24 ILE H 1 63 TRP HE1 . . 6.500 6.204 5.377 6.574 0.074 10 0 "[ . 1 . 2]" 1
347 1 24 ILE O 1 28 ARG H . . 1.700 1.992 1.770 2.205 0.505 8 1 "[ . + 1 . 2]" 1
348 1 24 ILE O 1 28 ARG N . . 2.700 2.618 2.500 2.775 0.075 8 0 "[ . 1 . 2]" 1
349 1 24 ILE MD 1 25 PHE H . . 6.500 4.331 3.966 4.725 . 0 0 "[ . 1 . 2]" 1
350 1 24 ILE QG 1 25 PHE H . . 5.500 4.386 3.959 4.614 . 0 0 "[ . 1 . 2]" 1
351 1 24 ILE MG 1 63 TRP HD1 . . 6.500 4.877 4.097 5.400 . 0 0 "[ . 1 . 2]" 1
352 1 24 ILE MG 1 63 TRP HE1 . . 6.500 2.667 1.883 3.212 . 0 0 "[ . 1 . 2]" 1
353 1 25 PHE CG 1 29 VAL QG . . 8.900 4.411 3.424 5.526 . 0 0 "[ . 1 . 2]" 1
354 1 25 PHE CG 1 60 MET ME . . 8.000 4.337 3.540 5.659 . 0 0 "[ . 1 . 2]" 1
355 1 25 PHE CG 1 60 MET QB . . 8.500 6.941 6.282 7.572 . 0 0 "[ . 1 . 2]" 1
356 1 25 PHE CZ 1 60 MET QB . . 7.500 4.490 3.823 5.165 . 0 0 "[ . 1 . 2]" 1
357 1 25 PHE CZ 1 29 VAL QG . . 8.900 4.085 3.138 5.152 . 0 0 "[ . 1 . 2]" 1
358 1 25 PHE CZ 1 60 MET ME . . 8.000 2.939 2.094 4.268 . 0 0 "[ . 1 . 2]" 1
359 1 25 PHE CG 1 26 ALA H . . 7.500 4.834 4.605 5.015 . 0 0 "[ . 1 . 2]" 1
360 1 25 PHE CZ 1 26 ALA H . . 7.500 7.441 7.125 7.657 0.157 11 0 "[ . 1 . 2]" 1
361 1 25 PHE HA 1 28 ARG QB . . 5.500 2.107 1.916 2.778 . 0 0 "[ . 1 . 2]" 1
362 1 25 PHE HA 1 29 VAL H . . 5.000 3.501 2.795 4.401 . 0 0 "[ . 1 . 2]" 1
363 1 25 PHE HB2 1 26 ALA H . . 4.500 3.925 3.701 4.219 . 0 0 "[ . 1 . 2]" 1
364 1 25 PHE HB3 1 26 ALA H . . 4.500 3.330 2.896 3.634 . 0 0 "[ . 1 . 2]" 1
365 1 22 GLN HA 1 25 PHE H . . 5.000 3.349 3.015 3.874 . 0 0 "[ . 1 . 2]" 1
366 1 23 ALA HA 1 25 PHE H . . 5.000 4.879 4.559 5.009 0.009 4 0 "[ . 1 . 2]" 1
367 1 25 PHE H 1 25 PHE HA . . 3.000 2.784 2.728 2.828 . 0 0 "[ . 1 . 2]" 1
368 1 25 PHE H 1 26 ALA H . . 3.000 2.721 2.655 2.808 . 0 0 "[ . 1 . 2]" 1
369 1 25 PHE H 1 27 GLN H . . 5.000 4.418 3.904 4.672 . 0 0 "[ . 1 . 2]" 1
370 1 25 PHE H 1 28 ARG H . . 6.000 4.730 4.594 4.976 . 0 0 "[ . 1 . 2]" 1
371 1 25 PHE H 1 28 ARG QB . . 6.500 4.196 4.007 4.813 . 0 0 "[ . 1 . 2]" 1
372 1 25 PHE QB 1 26 ALA H . . 4.500 3.153 2.798 3.349 . 0 0 "[ . 1 . 2]" 1
373 1 22 GLN HA 1 26 ALA H . . 5.000 4.053 3.668 4.402 . 0 0 "[ . 1 . 2]" 1
374 1 23 ALA HA 1 26 ALA H . . 5.000 3.707 3.453 3.908 . 0 0 "[ . 1 . 2]" 1
375 1 24 ILE HA 1 26 ALA H . . 5.000 3.593 3.481 3.871 . 0 0 "[ . 1 . 2]" 1
376 1 25 PHE HA 1 26 ALA H . . 4.000 3.417 3.329 3.542 . 0 0 "[ . 1 . 2]" 1
377 1 26 ALA H 1 26 ALA HA . . 3.000 2.906 2.899 2.912 . 0 0 "[ . 1 . 2]" 1
378 1 26 ALA H 1 27 GLN H . . 3.000 2.257 2.171 2.405 . 0 0 "[ . 1 . 2]" 1
379 1 26 ALA H 1 28 ARG H . . 5.000 3.301 3.103 3.753 . 0 0 "[ . 1 . 2]" 1
380 1 26 ALA H 1 29 VAL H . . 6.000 5.155 4.720 5.671 . 0 0 "[ . 1 . 2]" 1
381 1 26 ALA MB 1 27 GLN H . . 4.500 2.662 2.433 3.061 . 0 0 "[ . 1 . 2]" 1
382 1 27 GLN H 1 27 GLN HB2 . . 3.500 2.304 2.091 2.514 . 0 0 "[ . 1 . 2]" 1
383 1 27 GLN HB2 1 28 ARG H . . 4.500 4.020 3.621 4.294 . 0 0 "[ . 1 . 2]" 1
384 1 27 GLN H 1 27 GLN HB3 . . 3.500 2.972 2.665 3.506 0.006 16 0 "[ . 1 . 2]" 1
385 1 27 GLN HB3 1 28 ARG H . . 4.500 3.723 3.354 4.145 . 0 0 "[ . 1 . 2]" 1
386 1 23 ALA HA 1 27 GLN H . . 5.000 4.449 4.100 4.685 . 0 0 "[ . 1 . 2]" 1
387 1 24 ILE HA 1 27 GLN H . . 5.000 3.198 2.879 3.492 . 0 0 "[ . 1 . 2]" 1
388 1 25 PHE HA 1 27 GLN H . . 5.000 4.486 4.030 4.903 . 0 0 "[ . 1 . 2]" 1
389 1 26 ALA HA 1 27 GLN H . . 4.000 3.597 3.470 3.636 . 0 0 "[ . 1 . 2]" 1
390 1 27 GLN H 1 27 GLN HA . . 3.000 2.878 2.846 2.890 . 0 0 "[ . 1 . 2]" 1
391 1 27 GLN H 1 28 ARG H . . 3.000 2.372 2.229 2.577 . 0 0 "[ . 1 . 2]" 1
392 1 27 GLN H 1 29 VAL H . . 5.000 5.039 5.009 5.066 0.066 16 0 "[ . 1 . 2]" 1
393 1 28 ARG HB2 1 29 VAL H . . 4.500 2.598 2.049 3.518 . 0 0 "[ . 1 . 2]" 1
394 1 28 ARG HB3 1 29 VAL H . . 4.500 2.201 1.765 2.717 . 0 0 "[ . 1 . 2]" 1
395 1 24 ILE HA 1 28 ARG H . . 5.000 4.202 3.933 4.437 . 0 0 "[ . 1 . 2]" 1
396 1 25 PHE HA 1 28 ARG H . . 4.000 3.357 3.204 3.625 . 0 0 "[ . 1 . 2]" 1
397 1 26 ALA HA 1 28 ARG H . . 5.000 3.876 3.629 4.156 . 0 0 "[ . 1 . 2]" 1
398 1 27 GLN HA 1 28 ARG H . . 4.000 3.344 3.272 3.444 . 0 0 "[ . 1 . 2]" 1
399 1 27 GLN QB 1 28 ARG H . . 4.500 3.409 3.200 3.531 . 0 0 "[ . 1 . 2]" 1
400 1 28 ARG H 1 28 ARG HA . . 3.000 2.849 2.754 2.873 . 0 0 "[ . 1 . 2]" 1
401 1 28 ARG H 1 29 VAL H . . 3.000 2.854 2.625 3.091 0.091 10 0 "[ . 1 . 2]" 1
402 1 28 ARG H 1 30 LEU H . . 5.000 4.672 4.057 5.105 0.105 17 0 "[ . 1 . 2]" 1
403 1 28 ARG H 1 63 TRP HE1 . . 6.500 4.189 3.652 4.662 . 0 0 "[ . 1 . 2]" 1
404 1 28 ARG QB 1 63 TRP HE1 . . 6.500 2.015 1.799 2.453 . 0 0 "[ . 1 . 2]" 1
405 1 29 VAL H 1 29 VAL HB . . 4.000 3.157 2.425 3.780 . 0 0 "[ . 1 . 2]" 1
406 1 26 ALA HA 1 29 VAL H . . 5.000 4.611 4.202 4.859 . 0 0 "[ . 1 . 2]" 1
407 1 28 ARG HA 1 29 VAL H . . 5.000 3.635 3.615 3.650 . 0 0 "[ . 1 . 2]" 1
408 1 29 VAL H 1 30 LEU H . . 3.000 2.362 1.976 2.805 . 0 0 "[ . 1 . 2]" 1
409 1 29 VAL MG1 1 30 LEU H . . 6.500 2.591 1.723 4.158 . 0 0 "[ . 1 . 2]" 1
410 1 29 VAL MG1 1 63 TRP HD1 . . 7.500 2.916 1.768 4.708 . 0 0 "[ . 1 . 2]" 1
411 1 29 VAL MG1 1 63 TRP HE1 . . 7.500 4.673 3.218 6.192 . 0 0 "[ . 1 . 2]" 1
412 1 29 VAL MG2 1 63 TRP HD1 . . 7.500 3.171 1.846 4.570 . 0 0 "[ . 1 . 2]" 1
413 1 29 VAL MG2 1 63 TRP HE1 . . 7.500 4.953 2.972 6.413 . 0 0 "[ . 1 . 2]" 1
414 1 29 VAL QG 1 60 MET QB . . 7.900 4.973 4.357 5.278 . 0 0 "[ . 1 . 2]" 1
415 1 29 VAL QG 1 60 MET ME . . 7.900 4.440 3.504 4.794 . 0 0 "[ . 1 . 2]" 1
416 1 25 PHE QE 1 29 VAL QG . . 7.900 2.880 1.840 4.369 . 0 0 "[ . 1 . 2]" 1
417 1 29 VAL QG 1 63 TRP QB . . 8.900 2.401 2.001 3.014 . 0 0 "[ . 1 . 2]" 1
418 1 29 VAL QG 1 63 TRP H . . 7.900 2.997 2.355 3.639 . 0 0 "[ . 1 . 2]" 1
419 1 30 LEU H 1 31 CYS H . . 5.000 4.599 4.435 4.665 . 0 0 "[ . 1 . 2]" 1
420 1 30 LEU H 1 32 ARG H . . 6.000 5.731 4.996 6.087 0.087 16 0 "[ . 1 . 2]" 1
421 1 30 LEU H 1 63 TRP HD1 . . 5.500 3.723 3.264 4.169 . 0 0 "[ . 1 . 2]" 1
422 1 30 LEU H 1 63 TRP HE1 . . 5.500 5.434 4.930 5.601 0.101 20 0 "[ . 1 . 2]" 1
423 1 30 LEU MD1 1 31 CYS H . . 6.500 3.938 3.303 4.540 . 0 0 "[ . 1 . 2]" 1
424 1 30 LEU MD1 1 36 THR MG . . 6.500 3.524 2.475 4.447 . 0 0 "[ . 1 . 2]" 1
425 1 30 LEU MD1 1 63 TRP H . . 6.500 5.203 4.229 5.455 . 0 0 "[ . 1 . 2]" 1
426 1 30 LEU QD 1 60 MET QB . . 6.500 3.737 2.963 4.135 . 0 0 "[ . 1 . 2]" 1
427 1 30 LEU QD 1 60 MET ME . . 6.500 1.843 1.525 2.622 . 0 0 "[ . 1 . 2]" 1
428 1 30 LEU HG 1 60 MET ME . . 6.500 3.501 1.767 4.660 . 0 0 "[ . 1 . 2]" 1
429 1 30 LEU MD2 1 31 CYS H . . 6.500 4.527 3.541 4.991 . 0 0 "[ . 1 . 2]" 1
430 1 30 LEU MD2 1 36 THR MG . . 6.500 3.293 2.084 4.376 . 0 0 "[ . 1 . 2]" 1
431 1 30 LEU MD2 1 63 TRP H . . 6.500 5.112 4.149 5.428 . 0 0 "[ . 1 . 2]" 1
432 1 30 LEU HA 1 31 CYS H . . 4.000 2.468 2.291 2.627 . 0 0 "[ . 1 . 2]" 1
433 1 31 CYS H 1 32 ARG H . . 4.000 2.403 2.031 2.870 . 0 0 "[ . 1 . 2]" 1
434 1 31 CYS HB2 1 32 ARG H . . 4.500 3.218 2.521 4.047 . 0 0 "[ . 1 . 2]" 1
435 1 31 CYS HB3 1 32 ARG H . . 4.500 3.187 2.488 4.064 . 0 0 "[ . 1 . 2]" 1
436 1 31 CYS HA 1 32 ARG H . . 4.000 3.620 3.584 3.647 . 0 0 "[ . 1 . 2]" 1
437 1 32 ARG QB 1 33 SER H . . 5.500 3.683 2.728 4.071 . 0 0 "[ . 1 . 2]" 1
438 1 33 SER H 1 33 SER HA . . 3.000 2.806 2.750 2.918 . 0 0 "[ . 1 . 2]" 1
439 1 33 SER HA 1 35 GLY H . . 5.000 4.442 3.208 5.037 0.037 3 0 "[ . 1 . 2]" 1
440 1 33 SER HA 1 36 THR H . . 5.000 4.248 3.294 4.761 . 0 0 "[ . 1 . 2]" 1
441 1 33 SER HB2 1 34 GLN H . . 5.500 3.551 2.311 4.581 . 0 0 "[ . 1 . 2]" 1
442 1 33 SER HB2 1 36 THR H . . 5.500 3.963 2.116 5.592 0.092 17 0 "[ . 1 . 2]" 1
443 1 33 SER HB3 1 34 GLN H . . 5.500 3.280 2.061 4.460 . 0 0 "[ . 1 . 2]" 1
444 1 33 SER HB3 1 36 THR H . . 5.500 3.829 2.198 5.475 . 0 0 "[ . 1 . 2]" 1
445 1 25 PHE QB 1 33 SER H . . 6.500 3.760 2.694 5.435 . 0 0 "[ . 1 . 2]" 1
446 1 32 ARG HA 1 33 SER H . . 4.000 2.295 2.228 2.385 . 0 0 "[ . 1 . 2]" 1
447 1 33 SER H 1 34 GLN H . . 5.000 4.212 3.940 4.664 . 0 0 "[ . 1 . 2]" 1
448 1 33 SER H 1 36 THR H . . 6.000 5.315 3.896 6.125 0.125 8 0 "[ . 1 . 2]" 1
449 1 33 SER H 1 60 MET ME . . 6.500 5.036 4.031 5.459 . 0 0 "[ . 1 . 2]" 1
450 1 33 SER QB 1 35 GLY H . . 6.500 3.554 2.932 4.329 . 0 0 "[ . 1 . 2]" 1
451 1 34 GLN H 1 35 GLY H . . 5.000 3.177 2.405 3.872 . 0 0 "[ . 1 . 2]" 1
452 1 34 GLN HA 1 35 GLY H . . 4.000 2.645 2.369 3.603 . 0 0 "[ . 1 . 2]" 1
453 1 35 GLY H 1 36 THR H . . 4.000 2.318 1.875 2.916 . 0 0 "[ . 1 . 2]" 1
454 1 25 PHE CG 1 35 GLY QA . . 7.500 6.322 5.588 6.807 . 0 0 "[ . 1 . 2]" 1
455 1 35 GLY QA 1 36 THR H . . 5.000 2.861 2.779 2.977 . 0 0 "[ . 1 . 2]" 1
456 1 35 GLY QA 1 37 LEU H . . 6.000 3.082 2.878 3.740 . 0 0 "[ . 1 . 2]" 1
457 1 36 THR HA 1 39 ASP QB . . 4.500 2.238 1.943 2.938 . 0 0 "[ . 1 . 2]" 1
458 1 34 GLN QB 1 36 THR H . . 6.000 4.884 3.586 5.462 . 0 0 "[ . 1 . 2]" 1
459 1 36 THR H 1 37 LEU H . . 3.000 2.882 2.727 3.016 0.016 13 0 "[ . 1 . 2]" 1
460 1 36 THR H 1 38 SER H . . 5.000 4.734 4.430 5.019 0.019 6 0 "[ . 1 . 2]" 1
461 1 36 THR H 1 39 ASP H . . 6.000 4.852 4.577 5.102 . 0 0 "[ . 1 . 2]" 1
462 1 36 THR H 1 39 ASP QB . . 6.500 4.594 4.230 5.353 . 0 0 "[ . 1 . 2]" 1
463 1 36 THR H 1 60 MET QB . . 7.500 6.605 6.094 6.786 . 0 0 "[ . 1 . 2]" 1
464 1 36 THR O 1 40 LEU H . . 1.700 1.911 1.662 2.452 0.752 19 4 "[ . 1 * *- +2]" 1
465 1 36 THR O 1 40 LEU N . . 2.700 2.858 2.592 3.420 0.720 12 3 "[ . 1 + -. *2]" 1
466 1 25 PHE QD 1 36 THR MG . . 7.500 4.919 4.112 5.278 . 0 0 "[ . 1 . 2]" 1
467 1 25 PHE QE 1 36 THR MG . . 6.500 4.181 3.324 4.802 . 0 0 "[ . 1 . 2]" 1
468 1 25 PHE QR 1 36 THR MG . . 6.500 3.953 3.190 4.412 . 0 0 "[ . 1 . 2]" 1
469 1 37 LEU H 1 37 LEU HA . . 3.000 2.763 2.654 2.845 . 0 0 "[ . 1 . 2]" 1
470 1 37 LEU HA 1 40 LEU QB . . 5.500 3.751 2.886 4.450 . 0 0 "[ . 1 . 2]" 1
471 1 37 LEU HA 1 41 LEU H . . 5.000 4.146 3.905 4.533 . 0 0 "[ . 1 . 2]" 1
472 1 37 LEU H 1 37 LEU HG . . 4.500 2.944 1.924 4.365 . 0 0 "[ . 1 . 2]" 1
473 1 37 LEU H 1 37 LEU MD1 . . 5.500 3.323 2.476 3.956 . 0 0 "[ . 1 . 2]" 1
474 1 37 LEU H 1 37 LEU MD2 . . 5.500 3.575 2.457 4.319 . 0 0 "[ . 1 . 2]" 1
475 1 36 THR HA 1 37 LEU H . . 4.000 3.538 3.473 3.588 . 0 0 "[ . 1 . 2]" 1
476 1 36 THR HB 1 37 LEU H . . 4.500 4.252 4.077 4.360 . 0 0 "[ . 1 . 2]" 1
477 1 37 LEU H 1 38 SER H . . 3.000 2.854 2.649 3.040 0.040 5 0 "[ . 1 . 2]" 1
478 1 37 LEU H 1 39 ASP H . . 5.000 3.899 3.457 4.532 . 0 0 "[ . 1 . 2]" 1
479 1 37 LEU H 1 40 LEU H . . 6.000 4.795 4.545 5.103 . 0 0 "[ . 1 . 2]" 1
480 1 37 LEU H 1 40 LEU QB . . 6.500 5.523 4.943 5.892 . 0 0 "[ . 1 . 2]" 1
481 1 37 LEU O 1 41 LEU H . . 1.700 1.956 1.712 2.399 0.699 13 4 "[ * . * 1 + . -]" 1
482 1 37 LEU O 1 41 LEU N . . 2.700 2.712 2.537 3.074 0.374 8 0 "[ . 1 . 2]" 1
483 1 37 LEU MD1 1 58 ARG QB . . 8.500 6.035 5.568 6.259 . 0 0 "[ . 1 . 2]" 1
484 1 37 LEU MD2 1 58 ARG QB . . 8.500 6.025 5.729 6.235 . 0 0 "[ . 1 . 2]" 1
485 1 37 LEU QD 1 57 PHE HA . . 7.900 1.783 1.676 1.940 . 0 0 "[ . 1 . 2]" 1
486 1 37 LEU QD 1 57 PHE H . . 6.900 2.990 2.468 3.573 . 0 0 "[ . 1 . 2]" 1
487 1 37 LEU QD 1 58 ARG H . . 7.900 4.347 4.134 4.566 . 0 0 "[ . 1 . 2]" 1
488 1 37 LEU QD 1 60 MET HA . . 7.900 4.256 4.024 4.514 . 0 0 "[ . 1 . 2]" 1
489 1 37 LEU QD 1 61 TRP HE1 . . 7.900 2.580 2.089 3.135 . 0 0 "[ . 1 . 2]" 1
490 1 37 LEU QD 1 61 TRP H . . 8.900 3.966 3.392 4.211 . 0 0 "[ . 1 . 2]" 1
491 1 37 LEU QD 1 60 MET QB . . 8.900 2.098 1.774 2.447 . 0 0 "[ . 1 . 2]" 1
492 1 37 LEU QD 1 60 MET QG . . 8.900 2.094 1.744 3.057 . 0 0 "[ . 1 . 2]" 1
493 1 37 LEU QD 1 57 PHE CG . . 8.900 2.648 2.163 3.153 . 0 0 "[ . 1 . 2]" 1
494 1 37 LEU QD 1 57 PHE CZ . . 8.900 3.045 2.282 3.624 . 0 0 "[ . 1 . 2]" 1
495 1 37 LEU HG 1 57 PHE CG . . 7.900 4.884 3.542 6.064 . 0 0 "[ . 1 . 2]" 1
496 1 37 LEU HG 1 57 PHE CZ . . 7.900 5.153 3.062 6.632 . 0 0 "[ . 1 . 2]" 1
497 1 36 THR HA 1 38 SER H . . 5.000 4.492 3.785 5.082 0.082 12 0 "[ . 1 . 2]" 1
498 1 37 LEU HA 1 38 SER H . . 4.000 3.628 3.593 3.640 . 0 0 "[ . 1 . 2]" 1
499 1 37 LEU HB2 1 38 SER H . . 4.000 2.725 2.167 3.486 . 0 0 "[ . 1 . 2]" 1
500 1 37 LEU HB3 1 38 SER H . . 4.000 3.204 2.615 3.794 . 0 0 "[ . 1 . 2]" 1
501 1 38 SER H 1 38 SER HA . . 3.000 2.760 2.651 2.827 . 0 0 "[ . 1 . 2]" 1
502 1 38 SER H 1 39 ASP H . . 3.000 2.678 2.484 3.019 0.019 17 0 "[ . 1 . 2]" 1
503 1 38 SER H 1 40 LEU H . . 5.000 4.561 4.257 4.887 . 0 0 "[ . 1 . 2]" 1
504 1 38 SER H 1 41 LEU H . . 6.000 4.518 4.363 4.666 . 0 0 "[ . 1 . 2]" 1
505 1 38 SER H 1 41 LEU QB . . 6.500 4.125 3.662 4.509 . 0 0 "[ . 1 . 2]" 1
506 1 38 SER H 1 41 LEU QD . . 7.900 3.812 2.923 4.457 . 0 0 "[ . 1 . 2]" 1
507 1 38 SER H 1 57 PHE CZ . . 7.500 7.075 5.934 7.527 0.027 4 0 "[ . 1 . 2]" 1
508 1 38 SER QB 1 39 ASP H . . 4.500 2.947 2.381 3.843 . 0 0 "[ . 1 . 2]" 1
509 1 36 THR HA 1 39 ASP H . . 4.000 3.143 2.673 3.529 . 0 0 "[ . 1 . 2]" 1
510 1 37 LEU HA 1 39 ASP H . . 5.000 4.147 3.641 4.858 . 0 0 "[ . 1 . 2]" 1
511 1 38 SER HA 1 39 ASP H . . 4.000 3.534 3.396 3.637 . 0 0 "[ . 1 . 2]" 1
512 1 38 SER HB2 1 39 ASP H . . 4.500 3.447 2.964 4.227 . 0 0 "[ . 1 . 2]" 1
513 1 38 SER HB3 1 39 ASP H . . 4.500 3.312 2.429 4.416 . 0 0 "[ . 1 . 2]" 1
514 1 39 ASP H 1 39 ASP HA . . 3.000 2.768 2.682 2.873 . 0 0 "[ . 1 . 2]" 1
515 1 39 ASP H 1 40 LEU H . . 3.000 2.734 2.238 3.023 0.023 17 0 "[ . 1 . 2]" 1
516 1 39 ASP H 1 41 LEU H . . 5.000 3.519 3.296 3.742 . 0 0 "[ . 1 . 2]" 1
517 1 39 ASP H 1 42 ARG H . . 6.000 4.821 4.306 5.097 . 0 0 "[ . 1 . 2]" 1
518 1 39 ASP HA 1 42 ARG H . . 5.000 3.707 3.362 3.937 . 0 0 "[ . 1 . 2]" 1
519 1 40 LEU H 1 40 LEU HG . . 4.500 3.301 1.872 4.553 0.053 18 0 "[ . 1 . 2]" 1
520 1 36 THR HA 1 40 LEU H . . 5.000 3.968 3.400 4.674 . 0 0 "[ . 1 . 2]" 1
521 1 37 LEU HA 1 40 LEU H . . 4.000 3.596 3.164 4.018 0.018 8 0 "[ . 1 . 2]" 1
522 1 38 SER HA 1 40 LEU H . . 5.000 4.750 4.458 4.924 . 0 0 "[ . 1 . 2]" 1
523 1 39 ASP HA 1 40 LEU H . . 4.000 3.647 3.612 3.655 . 0 0 "[ . 1 . 2]" 1
524 1 39 ASP HB2 1 40 LEU H . . 4.500 3.036 2.090 3.872 . 0 0 "[ . 1 . 2]" 1
525 1 39 ASP HB3 1 40 LEU H . . 4.500 2.683 2.084 3.642 . 0 0 "[ . 1 . 2]" 1
526 1 40 LEU H 1 40 LEU HA . . 3.000 2.826 2.777 2.881 . 0 0 "[ . 1 . 2]" 1
527 1 40 LEU H 1 41 LEU H . . 4.000 2.519 2.324 2.662 . 0 0 "[ . 1 . 2]" 1
528 1 40 LEU HA 1 42 ARG H . . 5.000 3.417 3.238 3.871 . 0 0 "[ . 1 . 2]" 1
529 1 40 LEU MD1 1 49 LYS H . . 7.500 6.189 5.869 6.364 . 0 0 "[ . 1 . 2]" 1
530 1 40 LEU QD 1 50 LEU QD . . 8.900 1.865 1.451 2.777 . 0 0 "[ . 1 . 2]" 1
531 1 40 LEU QD 1 50 LEU HG . . 7.900 2.702 1.775 5.039 . 0 0 "[ . 1 . 2]" 1
532 1 41 LEU H 1 41 LEU HA . . 3.000 2.889 2.845 2.907 . 0 0 "[ . 1 . 2]" 1
533 1 41 LEU HA 1 42 ARG H . . 4.000 3.305 3.252 3.484 . 0 0 "[ . 1 . 2]" 1
534 1 41 LEU HA 1 43 ASN H . . 5.000 3.455 3.154 4.076 . 0 0 "[ . 1 . 2]" 1
535 1 41 LEU H 1 41 LEU HG . . 4.000 3.684 2.790 4.195 0.195 16 0 "[ . 1 . 2]" 1
536 1 41 LEU HG 1 42 ARG H . . 5.500 5.253 4.803 5.701 0.201 14 0 "[ . 1 . 2]" 1
537 1 38 SER HA 1 41 LEU H . . 5.000 3.244 3.103 3.485 . 0 0 "[ . 1 . 2]" 1
538 1 39 ASP HA 1 41 LEU H . . 4.000 4.024 3.859 4.153 0.153 19 0 "[ . 1 . 2]" 1
539 1 40 LEU HA 1 41 LEU H . . 3.500 3.485 3.445 3.521 0.021 4 0 "[ . 1 . 2]" 1
540 1 41 LEU H 1 42 ARG H . . 4.000 2.457 2.276 2.565 . 0 0 "[ . 1 . 2]" 1
541 1 41 LEU H 1 43 ASN H . . 6.000 4.830 4.382 5.241 . 0 0 "[ . 1 . 2]" 1
542 1 41 LEU H 1 50 LEU MD1 . . 6.500 4.832 3.646 5.334 . 0 0 "[ . 1 . 2]" 1
543 1 41 LEU H 1 50 LEU MD2 . . 6.500 4.790 3.224 5.328 . 0 0 "[ . 1 . 2]" 1
544 1 41 LEU QB 1 42 ARG H . . 4.500 3.486 3.138 3.567 . 0 0 "[ . 1 . 2]" 1
545 1 41 LEU H 1 41 LEU MD1 . . 5.500 3.148 2.208 4.304 . 0 0 "[ . 1 . 2]" 1
546 1 41 LEU H 1 41 LEU MD2 . . 5.500 3.822 2.417 4.435 . 0 0 "[ . 1 . 2]" 1
547 1 41 LEU MD1 1 42 ARG H . . 6.500 4.780 3.983 5.371 . 0 0 "[ . 1 . 2]" 1
548 1 41 LEU MD1 1 45 LYS H . . 7.500 5.880 4.231 6.376 . 0 0 "[ . 1 . 2]" 1
549 1 41 LEU MD1 1 50 LEU H . . 5.500 3.943 2.809 4.589 . 0 0 "[ . 1 . 2]" 1
550 1 41 LEU MD2 1 42 ARG H . . 6.500 5.068 4.130 5.526 . 0 0 "[ . 1 . 2]" 1
551 1 41 LEU MD2 1 45 LYS H . . 7.500 4.890 3.617 6.270 . 0 0 "[ . 1 . 2]" 1
552 1 41 LEU MD2 1 50 LEU H . . 6.500 3.963 2.835 5.296 . 0 0 "[ . 1 . 2]" 1
553 1 41 LEU QD 1 50 LEU QD . . 8.900 2.119 1.687 3.299 . 0 0 "[ . 1 . 2]" 1
554 1 41 LEU HG 1 50 LEU QD . . 7.900 3.326 1.937 4.265 . 0 0 "[ . 1 . 2]" 1
555 1 41 LEU QD 1 50 LEU HG . . 7.900 3.244 1.964 5.182 . 0 0 "[ . 1 . 2]" 1
556 1 41 LEU QD 1 47 TRP H . . 7.900 4.771 3.584 5.629 . 0 0 "[ . 1 . 2]" 1
557 1 41 LEU QD 1 57 PHE HB2 . . 7.900 5.474 5.113 5.696 . 0 0 "[ . 1 . 2]" 1
558 1 41 LEU QD 1 57 PHE HB3 . . 7.900 5.750 5.541 5.860 . 0 0 "[ . 1 . 2]" 1
559 1 41 LEU QD 1 57 PHE H . . 7.900 5.652 5.436 5.925 . 0 0 "[ . 1 . 2]" 1
560 1 41 LEU MD1 1 57 PHE CZ . . 7.500 2.624 2.282 3.286 . 0 0 "[ . 1 . 2]" 1
561 1 41 LEU MD2 1 57 PHE CZ . . 7.500 2.907 2.506 3.339 . 0 0 "[ . 1 . 2]" 1
562 1 41 LEU MD1 1 57 PHE CG . . 7.500 4.558 4.215 5.276 . 0 0 "[ . 1 . 2]" 1
563 1 41 LEU MD2 1 57 PHE CG . . 7.500 5.002 4.181 5.692 . 0 0 "[ . 1 . 2]" 1
564 1 42 ARG HA 1 43 ASN H . . 4.000 3.595 3.538 3.649 . 0 0 "[ . 1 . 2]" 1
565 1 42 ARG H 1 43 ASN H . . 4.000 3.035 2.900 3.187 . 0 0 "[ . 1 . 2]" 1
566 1 42 ARG QB 1 43 ASN H . . 4.500 2.785 2.338 3.590 . 0 0 "[ . 1 . 2]" 1
567 1 42 ARG QD 1 43 ASN H . . 5.500 4.196 2.634 4.987 . 0 0 "[ . 1 . 2]" 1
568 1 42 ARG QG 1 43 ASN H . . 6.500 3.908 2.028 4.537 . 0 0 "[ . 1 . 2]" 1
569 1 43 ASN H 1 43 ASN HA . . 3.000 2.813 2.738 2.874 . 0 0 "[ . 1 . 2]" 1
570 1 43 ASN QD 1 48 SER QB . . 5.500 4.036 3.644 4.326 . 0 0 "[ . 1 . 2]" 1
571 1 44 PRO HA 1 45 LYS H . . 4.000 2.231 2.149 2.580 . 0 0 "[ . 1 . 2]" 1
572 1 44 PRO QB 1 45 LYS H . . 4.500 3.761 3.496 4.067 . 0 0 "[ . 1 . 2]" 1
573 1 45 LYS H 1 47 TRP H . . 6.000 5.813 4.892 6.055 0.055 15 0 "[ . 1 . 2]" 1
574 1 45 LYS H 1 45 LYS QD . . 5.500 4.477 3.797 4.964 . 0 0 "[ . 1 . 2]" 1
575 1 47 TRP HA 1 48 SER H . . 4.000 2.699 2.306 2.885 . 0 0 "[ . 1 . 2]" 1
576 1 47 TRP HB2 1 48 SER H . . 4.500 4.445 4.297 4.544 0.044 10 0 "[ . 1 . 2]" 1
577 1 47 TRP HB3 1 48 SER H . . 4.500 4.459 4.109 4.557 0.057 7 0 "[ . 1 . 2]" 1
578 1 47 TRP HD1 1 48 SER H . . 5.500 4.969 4.589 5.524 0.024 14 0 "[ . 1 . 2]" 1
579 1 46 PRO HA 1 47 TRP H . . 4.000 2.205 2.149 3.083 . 0 0 "[ . 1 . 2]" 1
580 1 47 TRP H 1 47 TRP HD1 . . 5.500 3.536 3.140 4.329 . 0 0 "[ . 1 . 2]" 1
581 1 46 PRO QB 1 47 TRP H . . 4.500 3.434 3.303 3.948 . 0 0 "[ . 1 . 2]" 1
582 1 46 PRO QD 1 47 TRP H . . 5.500 4.873 3.025 5.006 . 0 0 "[ . 1 . 2]" 1
583 1 47 TRP H 1 48 SER H . . 4.000 2.777 2.483 3.497 . 0 0 "[ . 1 . 2]" 1
584 1 47 TRP H 1 48 SER QB . . 6.500 4.348 4.132 4.742 . 0 0 "[ . 1 . 2]" 1
585 1 47 TRP H 1 49 LYS H . . 6.000 4.954 4.293 6.026 0.026 12 0 "[ . 1 . 2]" 1
586 1 48 SER HA 1 49 LYS H . . 4.000 3.599 3.407 3.648 . 0 0 "[ . 1 . 2]" 1
587 1 46 PRO HA 1 48 SER H . . 6.000 4.010 3.532 5.083 . 0 0 "[ . 1 . 2]" 1
588 1 48 SER H 1 48 SER HA . . 3.000 2.803 2.620 2.880 . 0 0 "[ . 1 . 2]" 1
589 1 48 SER H 1 49 LYS H . . 4.000 2.635 2.274 3.570 . 0 0 "[ . 1 . 2]" 1
590 1 48 SER H 1 50 LEU H . . 5.000 4.406 3.982 5.044 0.044 19 0 "[ . 1 . 2]" 1
591 1 48 SER H 1 57 PHE QE . . 6.500 4.561 3.787 5.409 . 0 0 "[ . 1 . 2]" 1
592 1 48 SER H 1 57 PHE QR . . 6.500 4.470 3.747 5.219 . 0 0 "[ . 1 . 2]" 1
593 1 48 SER QB 1 49 LYS H . . 4.500 2.495 1.932 3.291 . 0 0 "[ . 1 . 2]" 1
594 1 48 SER QB 1 50 LEU H . . 5.500 2.675 2.079 4.134 . 0 0 "[ . 1 . 2]" 1
595 1 49 LYS HA 1 50 LEU H . . 3.000 2.906 2.329 3.196 0.196 18 0 "[ . 1 . 2]" 1
596 1 41 LEU QD 1 49 LYS H . . 6.900 3.741 2.519 4.650 . 0 0 "[ . 1 . 2]" 1
597 1 49 LYS H 1 49 LYS QD . . 5.500 4.274 2.999 5.035 . 0 0 "[ . 1 . 2]" 1
598 1 49 LYS H 1 49 LYS QE . . 5.500 3.747 2.039 5.044 . 0 0 "[ . 1 . 2]" 1
599 1 49 LYS H 1 50 LEU H . . 3.000 2.520 1.883 3.059 0.059 1 0 "[ . 1 . 2]" 1
600 1 49 LYS QB 1 50 LEU H . . 4.500 3.954 3.723 4.137 . 0 0 "[ . 1 . 2]" 1
601 1 49 LYS QD 1 50 LEU H . . 6.500 5.384 4.063 5.892 . 0 0 "[ . 1 . 2]" 1
602 1 49 LYS QE 1 50 LEU H . . 5.500 4.623 4.052 4.942 . 0 0 "[ . 1 . 2]" 1
603 1 49 LYS QG 1 50 LEU H . . 6.500 4.365 3.673 4.965 . 0 0 "[ . 1 . 2]" 1
604 1 50 LEU HA 1 51 LYS H . . 3.000 2.447 2.228 2.911 . 0 0 "[ . 1 . 2]" 1
605 1 50 LEU HG 1 51 LYS H . . 6.500 5.226 4.089 6.063 . 0 0 "[ . 1 . 2]" 1
606 1 50 LEU HG 1 57 PHE QE . . 6.500 3.695 1.998 5.108 . 0 0 "[ . 1 . 2]" 1
607 1 40 LEU QD 1 50 LEU H . . 7.900 4.512 3.908 5.511 . 0 0 "[ . 1 . 2]" 1
608 1 50 LEU H 1 50 LEU HG . . 5.000 3.926 2.822 5.040 0.040 4 0 "[ . 1 . 2]" 1
609 1 50 LEU H 1 50 LEU MD1 . . 5.500 3.800 2.852 4.608 . 0 0 "[ . 1 . 2]" 1
610 1 50 LEU H 1 50 LEU MD2 . . 5.500 3.343 1.923 4.679 . 0 0 "[ . 1 . 2]" 1
611 1 50 LEU H 1 51 LYS H . . 5.000 3.358 2.806 4.278 . 0 0 "[ . 1 . 2]" 1
612 1 50 LEU H 1 52 SER H . . 5.500 5.288 4.713 5.508 0.008 19 0 "[ . 1 . 2]" 1
613 1 50 LEU H 1 57 PHE HZ . . 4.500 4.001 3.018 4.590 0.090 12 0 "[ . 1 . 2]" 1
614 1 50 LEU H 1 57 PHE QE . . 5.500 2.861 1.880 4.074 . 0 0 "[ . 1 . 2]" 1
615 1 50 LEU H 1 57 PHE QR . . 5.500 2.762 1.874 3.845 . 0 0 "[ . 1 . 2]" 1
616 1 50 LEU QB 1 51 LYS H . . 4.500 3.985 3.848 4.056 . 0 0 "[ . 1 . 2]" 1
617 1 50 LEU QB 1 56 THR MG . . 5.500 3.787 2.810 4.070 . 0 0 "[ . 1 . 2]" 1
618 1 50 LEU QB 1 57 PHE H . . 5.500 3.254 2.658 4.214 . 0 0 "[ . 1 . 2]" 1
619 1 50 LEU QB 1 61 TRP HE1 . . 7.500 6.431 5.963 6.729 . 0 0 "[ . 1 . 2]" 1
620 1 50 LEU MD1 1 51 LYS H . . 6.500 4.654 2.798 5.526 . 0 0 "[ . 1 . 2]" 1
621 1 50 LEU MD1 1 56 THR MG . . 5.500 2.829 1.869 3.635 . 0 0 "[ . 1 . 2]" 1
622 1 50 LEU MD1 1 57 PHE H . . 6.500 3.762 1.924 4.950 . 0 0 "[ . 1 . 2]" 1
623 1 50 LEU MD2 1 51 LYS H . . 6.500 4.281 3.326 5.149 . 0 0 "[ . 1 . 2]" 1
624 1 50 LEU MD2 1 56 THR MG . . 6.500 3.316 1.869 4.476 . 0 0 "[ . 1 . 2]" 1
625 1 50 LEU QD 1 51 LYS H . . 7.400 3.783 2.781 4.597 . 0 0 "[ . 1 . 2]" 1
626 1 51 LYS HA 1 52 SER H . . 4.000 3.566 3.477 3.630 . 0 0 "[ . 1 . 2]" 1
627 1 51 LYS HA 1 54 ARG H . . 5.000 4.524 3.731 5.010 0.010 17 0 "[ . 1 . 2]" 1
628 1 51 LYS H 1 51 LYS QD . . 5.500 3.744 1.975 4.664 . 0 0 "[ . 1 . 2]" 1
629 1 51 LYS H 1 51 LYS QE . . 5.500 4.064 1.960 4.954 . 0 0 "[ . 1 . 2]" 1
630 1 51 LYS H 1 52 SER H . . 3.500 2.676 2.053 2.974 . 0 0 "[ . 1 . 2]" 1
631 1 51 LYS QB 1 52 SER H . . 4.500 3.326 2.661 3.780 . 0 0 "[ . 1 . 2]" 1
632 1 51 LYS QD 1 52 SER H . . 5.500 4.189 3.396 4.828 . 0 0 "[ . 1 . 2]" 1
633 1 51 LYS QE 1 52 SER H . . 5.500 3.780 2.094 4.877 . 0 0 "[ . 1 . 2]" 1
634 1 51 LYS QG 1 52 SER H . . 6.000 2.833 1.817 4.672 . 0 0 "[ . 1 . 2]" 1
635 1 52 SER HA 1 53 GLY H . . 4.000 3.395 2.573 3.647 . 0 0 "[ . 1 . 2]" 1
636 1 52 SER HB2 1 53 GLY H . . 4.500 3.303 2.358 4.477 . 0 0 "[ . 1 . 2]" 1
637 1 52 SER HB3 1 53 GLY H . . 4.500 3.231 2.042 4.520 0.020 20 0 "[ . 1 . 2]" 1
638 1 52 SER H 1 53 GLY H . . 3.500 3.018 2.787 3.517 0.017 15 0 "[ . 1 . 2]" 1
639 1 53 GLY H 1 54 ARG H . . 4.000 3.205 1.977 3.795 . 0 0 "[ . 1 . 2]" 1
640 1 53 GLY QA 1 55 GLU H . . 6.000 3.095 2.830 3.567 . 0 0 "[ . 1 . 2]" 1
641 1 54 ARG HA 1 57 PHE QB . . 4.500 2.855 2.391 3.090 . 0 0 "[ . 1 . 2]" 1
642 1 52 SER QB 1 54 ARG H . . 6.500 5.502 4.678 5.864 . 0 0 "[ . 1 . 2]" 1
643 1 53 GLY QA 1 54 ARG H . . 4.500 2.400 2.196 2.731 . 0 0 "[ . 1 . 2]" 1
644 1 54 ARG H 1 54 ARG QD . . 5.500 3.147 1.940 4.741 . 0 0 "[ . 1 . 2]" 1
645 1 54 ARG H 1 55 GLU H . . 3.000 2.726 2.518 2.942 . 0 0 "[ . 1 . 2]" 1
646 1 54 ARG H 1 56 THR H . . 5.000 4.458 3.946 4.906 . 0 0 "[ . 1 . 2]" 1
647 1 54 ARG H 1 57 PHE QB . . 6.500 5.296 4.823 5.538 . 0 0 "[ . 1 . 2]" 1
648 1 54 ARG O 1 58 ARG H . . 1.700 2.233 1.717 2.443 0.743 19 14 "[ *** * ** -*****+*]" 1
649 1 54 ARG O 1 58 ARG N . . 2.700 3.178 2.689 3.410 0.710 19 12 "[ ** * * *-****+*]" 1
650 1 55 GLU HA 1 58 ARG QB . . 4.500 2.829 2.559 3.305 . 0 0 "[ . 1 . 2]" 1
651 1 54 ARG HA 1 55 GLU H . . 4.000 3.531 3.415 3.613 . 0 0 "[ . 1 . 2]" 1
652 1 54 ARG QB 1 55 GLU H . . 4.500 3.276 2.685 3.805 . 0 0 "[ . 1 . 2]" 1
653 1 54 ARG QD 1 55 GLU H . . 5.500 4.026 2.627 4.802 . 0 0 "[ . 1 . 2]" 1
654 1 54 ARG QG 1 55 GLU H . . 6.500 3.149 1.932 4.508 . 0 0 "[ . 1 . 2]" 1
655 1 55 GLU H 1 55 GLU HA . . 3.000 2.710 2.619 2.792 . 0 0 "[ . 1 . 2]" 1
656 1 55 GLU H 1 56 THR H . . 3.000 2.822 2.638 2.992 . 0 0 "[ . 1 . 2]" 1
657 1 55 GLU H 1 57 PHE H . . 5.000 4.737 3.911 4.961 . 0 0 "[ . 1 . 2]" 1
658 1 55 GLU H 1 58 ARG QB . . 6.500 4.931 4.626 5.557 . 0 0 "[ . 1 . 2]" 1
659 1 55 GLU O 1 59 ARG H . . 1.700 1.893 1.690 2.219 0.519 12 1 "[ . 1 + . 2]" 1
660 1 55 GLU O 1 59 ARG N . . 2.700 2.847 2.681 3.196 0.496 12 0 "[ . 1 . 2]" 1
661 1 56 THR HA 1 59 ARG QB . . 4.500 2.480 2.051 2.963 . 0 0 "[ . 1 . 2]" 1
662 1 54 ARG HA 1 56 THR H . . 5.000 3.939 3.438 4.583 . 0 0 "[ . 1 . 2]" 1
663 1 55 GLU HA 1 56 THR H . . 4.000 3.586 3.543 3.640 . 0 0 "[ . 1 . 2]" 1
664 1 55 GLU HB2 1 56 THR H . . 4.500 3.349 2.561 4.017 . 0 0 "[ . 1 . 2]" 1
665 1 55 GLU HB3 1 56 THR H . . 4.500 3.490 2.779 4.217 . 0 0 "[ . 1 . 2]" 1
666 1 56 THR H 1 56 THR HA . . 3.000 2.789 2.737 2.874 . 0 0 "[ . 1 . 2]" 1
667 1 56 THR H 1 56 THR MG . . 4.500 3.324 1.871 3.674 . 0 0 "[ . 1 . 2]" 1
668 1 56 THR H 1 57 PHE H . . 3.000 2.925 2.581 3.046 0.046 20 0 "[ . 1 . 2]" 1
669 1 56 THR H 1 58 ARG H . . 5.000 4.221 3.862 4.927 . 0 0 "[ . 1 . 2]" 1
670 1 56 THR H 1 59 ARG H . . 6.000 4.687 4.542 4.912 . 0 0 "[ . 1 . 2]" 1
671 1 56 THR H 1 59 ARG QB . . 6.500 4.765 4.296 5.385 . 0 0 "[ . 1 . 2]" 1
672 1 56 THR O 1 60 MET H . . 1.700 2.202 1.747 2.435 0.735 3 13 "[**+*. *** ** ***- 2]" 1
673 1 56 THR O 1 60 MET N . . 2.700 3.095 2.728 3.313 0.613 3 4 "[ + . ** - . 2]" 1
674 1 57 PHE HA 1 60 MET QB . . 4.500 3.090 2.554 3.435 . 0 0 "[ . 1 . 2]" 1
675 1 54 ARG HA 1 57 PHE H . . 4.000 3.394 2.861 3.676 . 0 0 "[ . 1 . 2]" 1
676 1 55 GLU HA 1 57 PHE H . . 5.000 4.873 4.042 5.042 0.042 7 0 "[ . 1 . 2]" 1
677 1 56 THR HA 1 57 PHE H . . 4.000 3.628 3.564 3.633 . 0 0 "[ . 1 . 2]" 1
678 1 56 THR HB 1 57 PHE H . . 4.000 2.673 2.200 4.034 0.034 19 0 "[ . 1 . 2]" 1
679 1 57 PHE H 1 57 PHE HA . . 3.000 2.695 2.660 2.769 . 0 0 "[ . 1 . 2]" 1
680 1 57 PHE H 1 58 ARG H . . 3.000 2.972 2.813 3.074 0.074 14 0 "[ . 1 . 2]" 1
681 1 57 PHE H 1 59 ARG H . . 5.000 4.481 3.817 4.779 . 0 0 "[ . 1 . 2]" 1
682 1 57 PHE H 1 60 MET QB . . 6.500 5.226 4.816 5.616 . 0 0 "[ . 1 . 2]" 1
683 1 57 PHE O 1 61 TRP H . . 1.700 2.255 1.976 2.444 0.744 14 13 "[ *** * * *-+** ***]" 1
684 1 57 PHE O 1 61 TRP N . . 2.700 3.224 2.945 3.411 0.711 19 12 "[ *** * * - *** *+*]" 1
685 1 58 ARG HA 1 61 TRP QB . . 4.500 3.007 2.599 3.467 . 0 0 "[ . 1 . 2]" 1
686 1 54 ARG HA 1 58 ARG H . . 5.000 4.565 4.016 4.872 . 0 0 "[ . 1 . 2]" 1
687 1 55 GLU HA 1 58 ARG H . . 4.000 3.622 3.393 3.910 . 0 0 "[ . 1 . 2]" 1
688 1 56 THR HA 1 58 ARG H . . 5.000 4.424 3.849 5.019 0.019 11 0 "[ . 1 . 2]" 1
689 1 57 PHE HA 1 58 ARG H . . 4.000 3.615 3.558 3.643 . 0 0 "[ . 1 . 2]" 1
690 1 57 PHE HB2 1 58 ARG H . . 4.500 2.861 2.454 3.127 . 0 0 "[ . 1 . 2]" 1
691 1 57 PHE HB3 1 58 ARG H . . 4.500 2.841 2.300 3.235 . 0 0 "[ . 1 . 2]" 1
692 1 58 ARG H 1 58 ARG HA . . 3.000 2.759 2.669 2.822 . 0 0 "[ . 1 . 2]" 1
693 1 58 ARG H 1 59 ARG H . . 3.000 2.759 2.435 3.046 0.046 17 0 "[ . 1 . 2]" 1
694 1 58 ARG H 1 60 MET H . . 5.000 4.205 3.810 4.839 . 0 0 "[ . 1 . 2]" 1
695 1 58 ARG H 1 61 TRP QB . . 6.500 5.474 5.068 5.730 . 0 0 "[ . 1 . 2]" 1
696 1 58 ARG O 1 62 LYS H . . 1.700 1.969 1.679 2.397 0.697 11 4 "[ . * 1+ - *2]" 1
697 1 58 ARG O 1 62 LYS N . . 2.700 2.831 2.622 3.176 0.476 11 0 "[ . 1 . 2]" 1
698 1 59 ARG HA 1 62 LYS QB . . 4.500 2.710 2.232 3.282 . 0 0 "[ . 1 . 2]" 1
699 1 55 GLU HA 1 59 ARG H . . 5.000 4.058 3.634 4.553 . 0 0 "[ . 1 . 2]" 1
700 1 56 THR HA 1 59 ARG H . . 4.000 3.425 2.972 3.792 . 0 0 "[ . 1 . 2]" 1
701 1 57 PHE HA 1 59 ARG H . . 5.000 4.765 4.265 5.020 0.020 16 0 "[ . 1 . 2]" 1
702 1 58 ARG HA 1 59 ARG H . . 4.000 3.629 3.557 3.649 . 0 0 "[ . 1 . 2]" 1
703 1 58 ARG QB 1 59 ARG H . . 5.500 2.397 2.142 2.841 . 0 0 "[ . 1 . 2]" 1
704 1 59 ARG H 1 59 ARG HA . . 3.000 2.653 2.600 2.771 . 0 0 "[ . 1 . 2]" 1
705 1 59 ARG H 1 60 MET H . . 3.000 2.947 2.657 3.062 0.062 10 0 "[ . 1 . 2]" 1
706 1 59 ARG H 1 61 TRP H . . 5.000 4.593 4.176 4.829 . 0 0 "[ . 1 . 2]" 1
707 1 59 ARG H 1 62 LYS QB . . 6.500 4.858 4.447 5.546 . 0 0 "[ . 1 . 2]" 1
708 1 59 ARG O 1 63 TRP H . . 1.700 2.476 2.408 2.561 0.861 19 20 [******-***********+*] 1
709 1 59 ARG O 1 63 TRP N . . 2.700 3.340 3.147 3.459 0.759 10 18 "[*******-*+*** *** **]" 1
710 1 60 MET HA 1 63 TRP QB . . 4.500 2.984 2.599 3.352 . 0 0 "[ . 1 . 2]" 1
711 1 56 THR HA 1 60 MET H . . 5.000 4.372 3.824 4.717 . 0 0 "[ . 1 . 2]" 1
712 1 57 PHE HA 1 60 MET H . . 4.000 3.746 3.385 4.010 0.010 19 0 "[ . 1 . 2]" 1
713 1 58 ARG HA 1 60 MET H . . 5.000 4.178 3.814 4.852 . 0 0 "[ . 1 . 2]" 1
714 1 59 ARG HA 1 60 MET H . . 4.000 3.602 3.551 3.651 . 0 0 "[ . 1 . 2]" 1
715 1 59 ARG QB 1 60 MET H . . 4.500 2.646 2.167 2.889 . 0 0 "[ . 1 . 2]" 1
716 1 60 MET H 1 60 MET HA . . 3.000 2.781 2.679 2.822 . 0 0 "[ . 1 . 2]" 1
717 1 60 MET H 1 61 TRP H . . 3.000 2.774 2.613 2.998 . 0 0 "[ . 1 . 2]" 1
718 1 60 MET H 1 62 LYS H . . 5.000 3.795 3.548 4.379 . 0 0 "[ . 1 . 2]" 1
719 1 60 MET H 1 63 TRP H . . 6.000 4.909 4.641 5.140 . 0 0 "[ . 1 . 2]" 1
720 1 60 MET H 1 63 TRP QB . . 6.500 5.268 4.914 5.525 . 0 0 "[ . 1 . 2]" 1
721 1 60 MET O 1 64 LEU H . . 1.700 2.400 2.188 2.577 0.877 19 19 "[*** ****-*********+*]" 1
722 1 60 MET O 1 64 LEU N . . 2.700 3.318 3.154 3.455 0.755 19 17 "[*** **** **** -***+*]" 1
723 1 60 MET QG 1 61 TRP H . . 6.500 4.156 3.707 4.506 . 0 0 "[ . 1 . 2]" 1
724 1 61 TRP HB2 1 62 LYS H . . 5.500 3.011 2.366 3.210 . 0 0 "[ . 1 . 2]" 1
725 1 61 TRP HB3 1 62 LYS H . . 4.500 4.167 3.639 4.312 . 0 0 "[ . 1 . 2]" 1
726 1 37 LEU QD 1 61 TRP HH2 . . 7.900 5.779 5.556 5.962 . 0 0 "[ . 1 . 2]" 1
727 1 30 LEU QD 1 61 TRP H . . 7.900 5.204 4.464 5.610 . 0 0 "[ . 1 . 2]" 1
728 1 57 PHE HA 1 61 TRP H . . 5.000 4.536 4.098 4.840 . 0 0 "[ . 1 . 2]" 1
729 1 58 ARG HA 1 61 TRP H . . 4.000 3.293 3.029 3.727 . 0 0 "[ . 1 . 2]" 1
730 1 59 ARG HA 1 61 TRP H . . 5.000 4.882 4.426 5.055 0.055 3 0 "[ . 1 . 2]" 1
731 1 60 MET HA 1 61 TRP H . . 4.000 3.636 3.613 3.645 . 0 0 "[ . 1 . 2]" 1
732 1 60 MET HB2 1 61 TRP H . . 4.500 2.625 2.255 3.256 . 0 0 "[ . 1 . 2]" 1
733 1 60 MET HB3 1 61 TRP H . . 4.500 2.989 2.363 3.651 . 0 0 "[ . 1 . 2]" 1
734 1 61 TRP H 1 61 TRP HA . . 3.000 2.740 2.689 2.780 . 0 0 "[ . 1 . 2]" 1
735 1 61 TRP H 1 62 LYS H . . 3.000 2.723 2.617 2.975 . 0 0 "[ . 1 . 2]" 1
736 1 61 TRP H 1 63 TRP H . . 5.000 4.499 4.096 4.780 . 0 0 "[ . 1 . 2]" 1
737 1 37 LEU QD 1 61 TRP HZ2 . . 7.900 4.050 3.626 4.410 . 0 0 "[ . 1 . 2]" 1
738 1 58 ARG HA 1 62 LYS H . . 5.000 4.241 3.574 4.728 . 0 0 "[ . 1 . 2]" 1
739 1 59 ARG HA 1 62 LYS H . . 4.000 3.586 3.213 3.870 . 0 0 "[ . 1 . 2]" 1
740 1 60 MET HA 1 62 LYS H . . 5.000 3.896 3.725 4.659 . 0 0 "[ . 1 . 2]" 1
741 1 61 TRP HA 1 62 LYS H . . 4.000 3.550 3.508 3.642 . 0 0 "[ . 1 . 2]" 1
742 1 61 TRP QB 1 62 LYS H . . 5.500 2.944 2.337 3.127 . 0 0 "[ . 1 . 2]" 1
743 1 62 LYS H 1 62 LYS HA . . 3.000 2.789 2.681 2.857 . 0 0 "[ . 1 . 2]" 1
744 1 62 LYS H 1 63 TRP H . . 3.000 2.751 2.407 3.050 0.050 3 0 "[ . 1 . 2]" 1
745 1 62 LYS H 1 64 LEU H . . 5.000 4.291 4.052 4.848 . 0 0 "[ . 1 . 2]" 1
746 1 62 LYS QB 1 63 TRP H . . 5.500 2.548 2.278 2.939 . 0 0 "[ . 1 . 2]" 1
747 1 63 TRP H 1 63 TRP HB3 . . 3.500 2.826 2.605 3.024 . 0 0 "[ . 1 . 2]" 1
748 1 63 TRP HE1 1 64 LEU H . . 7.500 7.512 7.305 7.680 0.180 5 0 "[ . 1 . 2]" 1
749 1 63 TRP HE1 1 70 GLN QE . . 6.500 5.249 3.710 5.921 . 0 0 "[ . 1 . 2]" 1
750 1 63 TRP HE1 1 74 ALA H . . 5.500 5.523 5.495 5.556 0.056 2 0 "[ . 1 . 2]" 1
751 1 63 TRP HE1 1 74 ALA MB . . 6.500 4.401 3.596 5.260 . 0 0 "[ . 1 . 2]" 1
752 1 63 TRP HH2 1 74 ALA MB . . 7.500 3.329 1.842 6.038 . 0 0 "[ . 1 . 2]" 1
753 1 59 ARG HA 1 63 TRP H . . 5.000 4.777 4.579 5.031 0.031 19 0 "[ . 1 . 2]" 1
754 1 60 MET HA 1 63 TRP H . . 4.000 3.255 2.987 3.502 . 0 0 "[ . 1 . 2]" 1
755 1 61 TRP HA 1 63 TRP H . . 5.000 4.484 3.966 4.887 . 0 0 "[ . 1 . 2]" 1
756 1 62 LYS HA 1 63 TRP H . . 4.000 3.619 3.549 3.640 . 0 0 "[ . 1 . 2]" 1
757 1 62 LYS HB2 1 63 TRP H . . 4.500 2.792 2.308 3.571 . 0 0 "[ . 1 . 2]" 1
758 1 62 LYS HB3 1 63 TRP H . . 4.500 3.374 2.495 4.031 . 0 0 "[ . 1 . 2]" 1
759 1 63 TRP H 1 63 TRP HA . . 3.000 2.721 2.687 2.796 . 0 0 "[ . 1 . 2]" 1
760 1 63 TRP H 1 64 LEU H . . 4.000 2.918 2.636 3.050 . 0 0 "[ . 1 . 2]" 1
761 1 63 TRP H 1 65 GLN H . . 5.000 4.054 3.437 4.583 . 0 0 "[ . 1 . 2]" 1
762 1 63 TRP HZ2 1 74 ALA MB . . 6.500 2.791 1.871 4.263 . 0 0 "[ . 1 . 2]" 1
763 1 64 LEU HA 1 65 GLN H . . 4.000 3.579 3.369 3.638 . 0 0 "[ . 1 . 2]" 1
764 1 64 LEU HG 1 65 GLN H . . 4.500 3.645 2.519 4.539 0.039 9 0 "[ . 1 . 2]" 1
765 1 62 LYS HA 1 64 LEU H . . 5.000 4.517 4.182 4.969 . 0 0 "[ . 1 . 2]" 1
766 1 63 TRP HA 1 64 LEU H . . 4.000 3.635 3.614 3.646 . 0 0 "[ . 1 . 2]" 1
767 1 63 TRP QB 1 64 LEU H . . 5.500 2.407 2.135 2.609 . 0 0 "[ . 1 . 2]" 1
768 1 64 LEU H 1 64 LEU HA . . 3.000 2.773 2.671 2.889 . 0 0 "[ . 1 . 2]" 1
769 1 64 LEU H 1 65 GLN H . . 4.000 2.722 2.278 3.054 . 0 0 "[ . 1 . 2]" 1
770 1 64 LEU QB 1 65 GLN H . . 4.500 2.859 2.366 3.850 . 0 0 "[ . 1 . 2]" 1
771 1 64 LEU MD1 1 65 GLN H . . 5.500 4.489 3.926 4.707 . 0 0 "[ . 1 . 2]" 1
772 1 64 LEU MD2 1 65 GLN H . . 5.500 4.220 3.702 4.632 . 0 0 "[ . 1 . 2]" 1
773 1 65 GLN HA 1 66 GLU H . . 4.000 3.554 3.275 3.645 . 0 0 "[ . 1 . 2]" 1
774 1 61 TRP HB2 1 65 GLN H . . 6.500 5.311 4.896 5.882 . 0 0 "[ . 1 . 2]" 1
775 1 62 LYS QB 1 65 GLN H . . 5.500 4.582 4.392 4.889 . 0 0 "[ . 1 . 2]" 1
776 1 65 GLN H 1 66 GLU H . . 3.000 2.846 2.435 3.077 0.077 16 0 "[ . 1 . 2]" 1
777 1 65 GLN QB 1 66 GLU H . . 4.500 2.553 1.873 3.523 . 0 0 "[ . 1 . 2]" 1
778 1 65 GLN QG 1 66 GLU H . . 5.500 4.178 3.162 4.683 . 0 0 "[ . 1 . 2]" 1
779 1 66 GLU H 1 66 GLU HA . . 3.000 2.480 2.170 2.913 . 0 0 "[ . 1 . 2]" 1
780 1 66 GLU QB 1 68 GLU H . . 6.500 3.555 2.076 4.924 . 0 0 "[ . 1 . 2]" 1
781 1 67 PRO HA 1 68 GLU H . . 4.000 2.821 2.338 3.506 . 0 0 "[ . 1 . 2]" 1
782 1 67 PRO QB 1 68 GLU H . . 4.500 3.890 3.113 4.079 . 0 0 "[ . 1 . 2]" 1
783 1 68 GLU HA 1 69 PHE H . . 4.000 2.602 2.211 3.632 . 0 0 "[ . 1 . 2]" 1
784 1 65 GLN HA 1 68 GLU H . . 6.000 6.033 5.575 6.259 0.259 10 0 "[ . 1 . 2]" 1
785 1 68 GLU H 1 69 PHE H . . 4.000 3.622 2.822 4.227 0.227 18 0 "[ . 1 . 2]" 1
786 1 68 GLU QB 1 69 PHE H . . 4.500 3.540 1.916 4.117 . 0 0 "[ . 1 . 2]" 1
787 1 69 PHE H 1 69 PHE QD . . 5.000 3.836 2.312 4.517 . 0 0 "[ . 1 . 2]" 1
788 1 69 PHE H 1 70 GLN H . . 4.000 2.585 1.857 3.713 . 0 0 "[ . 1 . 2]" 1
789 1 69 PHE H 1 71 ARG H . . 5.000 4.281 2.688 5.057 0.057 6 0 "[ . 1 . 2]" 1
790 1 69 PHE HA 1 70 GLN H . . 4.000 3.219 2.200 3.642 . 0 0 "[ . 1 . 2]" 1
791 1 69 PHE QB 1 70 GLN H . . 4.500 3.028 1.919 4.089 . 0 0 "[ . 1 . 2]" 1
792 1 69 PHE QD 1 70 GLN H . . 5.500 4.375 3.658 4.888 . 0 0 "[ . 1 . 2]" 1
793 1 70 GLN H 1 70 GLN QG . . 5.000 3.225 1.922 4.421 . 0 0 "[ . 1 . 2]" 1
794 1 70 GLN H 1 71 ARG H . . 4.000 2.620 1.870 3.390 . 0 0 "[ . 1 . 2]" 1
795 1 70 GLN H 1 72 MET H . . 5.000 4.437 2.923 5.008 0.008 12 0 "[ . 1 . 2]" 1
796 1 70 GLN HA 1 71 ARG H . . 4.000 3.062 2.362 3.646 . 0 0 "[ . 1 . 2]" 1
797 1 70 GLN QB 1 71 ARG H . . 4.500 3.551 1.910 4.097 . 0 0 "[ . 1 . 2]" 1
798 1 70 GLN QG 1 71 ARG H . . 5.500 3.663 1.771 4.853 . 0 0 "[ . 1 . 2]" 1
799 1 71 ARG H 1 71 ARG QD . . 5.500 4.370 3.257 4.952 . 0 0 "[ . 1 . 2]" 1
800 1 71 ARG H 1 72 MET H . . 4.000 2.630 1.842 3.893 . 0 0 "[ . 1 . 2]" 1
801 1 71 ARG H 1 73 SER H . . 5.000 4.375 2.619 5.005 0.005 19 0 "[ . 1 . 2]" 1
802 1 70 GLN HA 1 72 MET H . . 5.000 4.186 3.088 5.180 0.180 16 0 "[ . 1 . 2]" 1
803 1 71 ARG HA 1 72 MET H . . 4.000 2.974 2.444 3.646 . 0 0 "[ . 1 . 2]" 1
804 1 71 ARG QB 1 72 MET H . . 4.500 3.712 2.381 4.121 . 0 0 "[ . 1 . 2]" 1
805 1 71 ARG QG 1 72 MET H . . 5.000 4.225 3.605 4.548 . 0 0 "[ . 1 . 2]" 1
806 1 72 MET H 1 72 MET QG . . 5.000 3.558 2.032 4.361 . 0 0 "[ . 1 . 2]" 1
807 1 72 MET H 1 73 SER H . . 4.000 2.519 1.889 3.696 . 0 0 "[ . 1 . 2]" 1
808 1 72 MET H 1 74 ALA H . . 5.000 4.291 2.574 5.025 0.025 15 0 "[ . 1 . 2]" 1
809 1 72 MET QB 1 73 SER H . . 4.500 3.162 2.181 4.016 . 0 0 "[ . 1 . 2]" 1
810 1 71 ARG HA 1 73 SER H . . 5.000 4.194 3.123 4.984 . 0 0 "[ . 1 . 2]" 1
811 1 72 MET HA 1 73 SER H . . 4.000 3.343 2.690 3.644 . 0 0 "[ . 1 . 2]" 1
812 1 73 SER H 1 74 ALA H . . 3.500 2.835 1.941 3.475 . 0 0 "[ . 1 . 2]" 1
813 1 71 ARG HA 1 74 ALA H . . 6.000 5.417 3.863 6.018 0.018 1 0 "[ . 1 . 2]" 1
814 1 73 SER HA 1 74 ALA H . . 4.000 3.243 2.378 3.649 . 0 0 "[ . 1 . 2]" 1
815 1 73 SER QB 1 74 ALA H . . 4.500 2.765 1.897 4.085 . 0 0 "[ . 1 . 2]" 1
816 1 74 ALA H 1 74 ALA HA . . 3.000 2.575 2.213 2.870 . 0 0 "[ . 1 . 2]" 1
817 1 38 SER QB 1 88 GLY H . . 6.500 5.165 2.092 5.844 . 0 0 "[ . 1 . 2]" 1
818 1 40 LEU QB 1 89 LYS H . . 7.500 5.518 4.286 6.605 . 0 0 "[ . 1 . 2]" 1
819 1 40 LEU HG 1 89 LYS H . . 6.500 6.420 5.931 6.607 0.107 13 0 "[ . 1 . 2]" 1
820 1 78 ALA H 1 121 SER HB2 . . 6.500 6.198 5.209 6.507 0.007 1 0 "[ . 1 . 2]" 1
821 1 78 ALA H 1 121 SER HB3 . . 6.500 5.957 5.145 6.501 0.001 2 0 "[ . 1 . 2]" 1
822 1 78 ALA MB 1 121 SER H . . 6.500 3.994 2.225 5.453 . 0 0 "[ . 1 . 2]" 1
823 1 77 LEU QD 1 121 SER H . . 7.900 4.340 3.056 5.834 . 0 0 "[ . 1 . 2]" 1
824 1 79 ALA MB 1 121 SER H . . 7.500 5.671 3.424 6.143 . 0 0 "[ . 1 . 2]" 1
825 1 99 ARG H 1 99 ARG HA . . 3.000 2.770 2.178 2.909 . 0 0 "[ . 1 . 2]" 1
826 1 99 ARG HA 1 100 LEU H . . 3.000 2.629 2.357 2.920 . 0 0 "[ . 1 . 2]" 1
827 1 99 ARG QB 1 100 LEU H . . 4.500 2.753 1.908 4.047 . 0 0 "[ . 1 . 2]" 1
828 1 100 LEU H 1 100 LEU HG . . 4.500 4.401 3.942 4.592 0.092 11 0 "[ . 1 . 2]" 1
829 1 100 LEU H 1 100 LEU MD1 . . 5.500 4.310 2.015 4.579 . 0 0 "[ . 1 . 2]" 1
830 1 100 LEU H 1 100 LEU MD2 . . 5.500 4.248 2.350 4.632 . 0 0 "[ . 1 . 2]" 1
831 1 100 LEU H 1 101 VAL H . . 4.000 4.034 4.000 4.237 0.237 9 0 "[ . 1 . 2]" 1
832 1 100 LEU HA 1 101 VAL H . . 4.000 2.312 2.176 3.607 . 0 0 "[ . 1 . 2]" 1
833 1 100 LEU QB 1 101 VAL H . . 4.500 3.737 1.839 4.052 . 0 0 "[ . 1 . 2]" 1
834 1 100 LEU HG 1 101 VAL H . . 4.000 3.436 3.068 4.106 0.106 11 0 "[ . 1 . 2]" 1
835 1 100 LEU MD1 1 101 VAL H . . 5.500 4.171 2.391 4.676 . 0 0 "[ . 1 . 2]" 1
836 1 100 LEU MD2 1 101 VAL H . . 5.500 4.173 2.118 4.682 . 0 0 "[ . 1 . 2]" 1
837 1 101 VAL H 1 101 VAL HA . . 3.000 2.898 2.675 2.940 . 0 0 "[ . 1 . 2]" 1
838 1 101 VAL H 1 101 VAL HB . . 4.000 2.965 2.214 3.780 . 0 0 "[ . 1 . 2]" 1
839 1 101 VAL HA 1 102 PHE H . . 4.000 3.612 3.563 3.641 . 0 0 "[ . 1 . 2]" 1
840 1 101 VAL HB 1 102 PHE H . . 3.500 2.785 1.927 3.693 0.193 17 0 "[ . 1 . 2]" 1
841 1 101 VAL H 1 102 PHE H . . 3.500 2.629 1.998 3.383 . 0 0 "[ . 1 . 2]" 1
842 1 101 VAL MG1 1 102 PHE H . . 5.500 2.652 1.826 4.102 . 0 0 "[ . 1 . 2]" 1
843 1 101 VAL MG2 1 102 PHE H . . 5.500 2.921 1.769 4.017 . 0 0 "[ . 1 . 2]" 1
844 1 101 VAL QG 1 103 THR H . . 7.900 3.048 2.527 3.748 . 0 0 "[ . 1 . 2]" 1
845 1 102 PHE H 1 102 PHE QD . . 4.500 3.311 2.173 4.352 . 0 0 "[ . 1 . 2]" 1
846 1 102 PHE QD 1 103 THR H . . 5.500 4.390 3.016 4.959 . 0 0 "[ . 1 . 2]" 1
847 1 102 PHE H 1 103 THR H . . 4.000 3.593 3.171 4.041 0.041 11 0 "[ . 1 . 2]" 1
848 1 102 PHE QB 1 103 THR H . . 5.500 3.922 3.522 4.076 . 0 0 "[ . 1 . 2]" 1
849 1 103 THR H 1 103 THR MG . . 4.500 3.716 2.178 3.864 . 0 0 "[ . 1 . 2]" 1
850 1 103 THR H 1 104 ASP H . . 4.500 4.529 4.483 4.591 0.091 16 0 "[ . 1 . 2]" 1
851 1 103 THR MG 1 104 ASP H . . 6.500 2.185 1.853 3.189 . 0 0 "[ . 1 . 2]" 1
852 1 103 THR MG 1 105 VAL H . . 6.500 2.281 1.897 3.213 . 0 0 "[ . 1 . 2]" 1
853 1 104 ASP H 1 105 VAL H . . 3.000 2.361 2.195 2.757 . 0 0 "[ . 1 . 2]" 1
854 1 104 ASP HB2 1 105 VAL H . . 3.500 3.163 2.307 3.656 0.156 5 0 "[ . 1 . 2]" 1
855 1 104 ASP HB3 1 105 VAL H . . 3.500 3.050 2.445 3.655 0.155 5 0 "[ . 1 . 2]" 1
856 1 104 ASP H 1 106 GLN H . . 4.000 3.924 3.599 4.059 0.059 3 0 "[ . 1 . 2]" 1
857 1 104 ASP H 1 107 ARG H . . 5.000 4.686 4.573 4.842 . 0 0 "[ . 1 . 2]" 1
858 1 105 VAL H 1 106 GLN H . . 3.000 2.743 2.464 3.020 0.020 13 0 "[ . 1 . 2]" 1
859 1 105 VAL H 1 107 ARG H . . 4.500 4.472 4.180 4.630 0.130 1 0 "[ . 1 . 2]" 1
860 1 105 VAL H 1 108 ARG H . . 5.000 4.648 4.468 4.880 . 0 0 "[ . 1 . 2]" 1
861 1 105 VAL MG1 1 106 GLN H . . 5.500 3.129 1.821 3.981 . 0 0 "[ . 1 . 2]" 1
862 1 105 VAL MG2 1 106 GLN H . . 5.500 3.727 1.899 3.967 . 0 0 "[ . 1 . 2]" 1
863 1 103 THR H 1 106 GLN H . . 4.500 4.556 4.451 4.676 0.176 8 0 "[ . 1 . 2]" 1
864 1 106 GLN H 1 106 GLN QG . . 4.500 2.813 1.967 3.929 . 0 0 "[ . 1 . 2]" 1
865 1 106 GLN H 1 107 ARG H . . 3.000 2.835 2.681 3.015 0.015 20 0 "[ . 1 . 2]" 1
866 1 106 GLN H 1 108 ARG H . . 4.500 3.762 3.665 3.939 . 0 0 "[ . 1 . 2]" 1
867 1 106 GLN H 1 109 THR H . . 5.000 4.754 4.545 4.933 . 0 0 "[ . 1 . 2]" 1
868 1 106 GLN QG 1 107 ARG H . . 6.000 4.075 1.909 4.381 . 0 0 "[ . 1 . 2]" 1
869 1 107 ARG H 1 107 ARG QD . . 5.500 4.311 3.890 4.522 . 0 0 "[ . 1 . 2]" 1
870 1 107 ARG H 1 108 ARG H . . 3.000 2.775 2.682 2.868 . 0 0 "[ . 1 . 2]" 1
871 1 107 ARG H 1 109 THR H . . 5.000 4.360 4.137 4.622 . 0 0 "[ . 1 . 2]" 1
872 1 107 ARG H 1 110 LEU H . . 6.000 5.095 4.812 5.303 . 0 0 "[ . 1 . 2]" 1
873 1 108 ARG H 1 109 THR H . . 3.000 2.484 2.288 2.817 . 0 0 "[ . 1 . 2]" 1
874 1 108 ARG H 1 110 LEU H . . 5.000 4.369 3.953 4.610 . 0 0 "[ . 1 . 2]" 1
875 1 108 ARG H 1 111 HIS H . . 5.000 4.514 4.380 4.701 . 0 0 "[ . 1 . 2]" 1
876 1 109 THR H 1 110 LEU H . . 3.000 2.754 2.511 2.927 . 0 0 "[ . 1 . 2]" 1
877 1 109 THR H 1 111 HIS H . . 5.000 3.896 3.611 4.160 . 0 0 "[ . 1 . 2]" 1
878 1 109 THR H 1 112 ALA H . . 6.000 4.651 4.462 4.838 . 0 0 "[ . 1 . 2]" 1
879 1 110 LEU H 1 110 LEU HG . . 5.500 4.463 3.760 4.570 . 0 0 "[ . 1 . 2]" 1
880 1 110 LEU H 1 111 HIS H . . 3.000 2.761 2.656 2.937 . 0 0 "[ . 1 . 2]" 1
881 1 110 LEU H 1 112 ALA H . . 4.500 4.113 3.889 4.385 . 0 0 "[ . 1 . 2]" 1
882 1 110 LEU H 1 113 ILE H . . 5.000 4.754 4.552 4.945 . 0 0 "[ . 1 . 2]" 1
883 1 111 HIS H 1 112 ALA H . . 3.000 2.763 2.549 2.883 . 0 0 "[ . 1 . 2]" 1
884 1 111 HIS H 1 113 ILE H . . 4.500 3.976 3.785 4.240 . 0 0 "[ . 1 . 2]" 1
885 1 111 HIS H 1 114 PHE H . . 5.000 4.960 4.719 5.097 0.097 15 0 "[ . 1 . 2]" 1
886 1 112 ALA H 1 113 ILE H . . 3.000 2.486 2.289 2.687 . 0 0 "[ . 1 . 2]" 1
887 1 112 ALA H 1 114 PHE H . . 5.000 4.115 3.694 4.422 . 0 0 "[ . 1 . 2]" 1
888 1 112 ALA H 1 115 LYS H . . 6.000 5.522 5.253 5.865 . 0 0 "[ . 1 . 2]" 1
889 1 112 ALA MB 1 113 ILE H . . 4.500 2.967 2.771 3.126 . 0 0 "[ . 1 . 2]" 1
890 1 113 ILE H 1 113 ILE MD . . 4.500 3.646 2.786 3.936 . 0 0 "[ . 1 . 2]" 1
891 1 113 ILE H 1 114 PHE H . . 3.000 2.540 2.316 2.687 . 0 0 "[ . 1 . 2]" 1
892 1 113 ILE H 1 115 LYS H . . 4.500 4.177 3.919 4.584 0.084 6 0 "[ . 1 . 2]" 1
893 1 113 ILE MD 1 114 PHE H . . 5.500 4.466 4.255 4.777 . 0 0 "[ . 1 . 2]" 1
894 1 114 PHE H 1 115 LYS H . . 3.000 2.888 2.783 3.034 0.034 6 0 "[ . 1 . 2]" 1
895 1 115 LYS H 1 115 LYS QE . . 4.500 3.679 2.825 4.085 . 0 0 "[ . 1 . 2]" 1
896 1 115 LYS H 1 115 LYS QD . . 4.500 3.124 1.894 4.095 . 0 0 "[ . 1 . 2]" 1
897 1 115 LYS H 1 116 GLU H . . 3.000 3.033 2.024 3.156 0.156 19 0 "[ . 1 . 2]" 1
898 1 116 GLU H 1 117 ASN H . . 3.500 3.254 2.575 3.556 0.056 19 0 "[ . 1 . 2]" 1
899 1 116 GLU QG 1 117 ASN H . . 5.500 3.713 2.452 4.501 . 0 0 "[ . 1 . 2]" 1
900 1 116 GLU QB 1 117 ASN H . . 4.500 3.149 1.792 4.013 . 0 0 "[ . 1 . 2]" 1
901 1 117 ASN H 1 118 LYS H . . 3.500 2.327 1.797 2.848 . 0 0 "[ . 1 . 2]" 1
902 1 117 ASN HA 1 118 LYS H . . 4.000 3.533 2.556 3.655 . 0 0 "[ . 1 . 2]" 1
903 1 117 ASN QB 1 118 LYS H . . 4.500 2.506 1.939 3.984 . 0 0 "[ . 1 . 2]" 1
904 1 118 LYS H 1 118 LYS QD . . 5.500 4.197 2.747 4.821 . 0 0 "[ . 1 . 2]" 1
905 1 118 LYS H 1 118 LYS QE . . 5.500 4.513 3.644 4.961 . 0 0 "[ . 1 . 2]" 1
906 1 118 LYS H 1 119 ARG H . . 3.000 2.388 1.920 2.975 . 0 0 "[ . 1 . 2]" 1
907 1 118 LYS HA 1 119 ARG H . . 4.000 2.918 2.718 3.135 . 0 0 "[ . 1 . 2]" 1
908 1 118 LYS QB 1 119 ARG H . . 4.500 3.902 3.731 4.005 . 0 0 "[ . 1 . 2]" 1
909 1 119 ARG H 1 119 ARG HA . . 3.000 2.672 2.564 2.836 . 0 0 "[ . 1 . 2]" 1
910 1 120 PRO HA 1 121 SER H . . 3.500 3.236 2.477 3.541 0.041 18 0 "[ . 1 . 2]" 1
911 1 120 PRO QB 1 121 SER H . . 5.500 2.555 1.808 4.072 . 0 0 "[ . 1 . 2]" 1
912 1 121 SER H 1 122 LYS H . . 4.000 3.716 3.365 4.214 0.214 19 0 "[ . 1 . 2]" 1
913 1 122 LYS H 1 123 GLU H . . 3.000 2.812 2.589 2.931 . 0 0 "[ . 1 . 2]" 1
914 1 122 LYS HB2 1 123 GLU H . . 3.500 3.439 3.236 3.540 0.040 2 0 "[ . 1 . 2]" 1
915 1 122 LYS HB3 1 123 GLU H . . 3.500 3.294 2.831 3.539 0.039 12 0 "[ . 1 . 2]" 1
916 1 122 LYS H 1 124 LEU H . . 5.000 4.372 4.012 4.854 . 0 0 "[ . 1 . 2]" 1
917 1 122 LYS H 1 125 GLN H . . 6.000 5.073 4.877 5.282 . 0 0 "[ . 1 . 2]" 1
918 1 123 GLU H 1 123 GLU HB2 . . 3.500 2.319 2.018 3.551 0.051 11 0 "[ . 1 . 2]" 1
919 1 123 GLU H 1 123 GLU HB3 . . 3.500 2.844 2.414 3.485 . 0 0 "[ . 1 . 2]" 1
920 1 123 GLU HB2 1 124 LEU H . . 4.500 3.581 2.748 3.993 . 0 0 "[ . 1 . 2]" 1
921 1 123 GLU HB3 1 124 LEU H . . 4.500 2.875 2.223 3.919 . 0 0 "[ . 1 . 2]" 1
922 1 123 GLU H 1 124 LEU H . . 3.000 2.628 2.440 2.820 . 0 0 "[ . 1 . 2]" 1
923 1 123 GLU H 1 125 GLN H . . 4.500 4.358 4.143 4.495 . 0 0 "[ . 1 . 2]" 1
924 1 123 GLU H 1 126 ILE H . . 5.000 4.874 4.718 4.981 . 0 0 "[ . 1 . 2]" 1
925 1 124 LEU HB2 1 125 GLN H . . 5.500 4.048 3.922 4.179 . 0 0 "[ . 1 . 2]" 1
926 1 124 LEU HB3 1 125 GLN H . . 5.500 2.816 2.514 2.990 . 0 0 "[ . 1 . 2]" 1
927 1 124 LEU H 1 125 GLN H . . 3.000 2.848 2.515 3.076 0.076 2 0 "[ . 1 . 2]" 1
928 1 124 LEU H 1 126 ILE H . . 4.500 4.082 3.716 4.456 . 0 0 "[ . 1 . 2]" 1
929 1 124 LEU H 1 127 THR H . . 5.000 4.338 4.227 4.566 . 0 0 "[ . 1 . 2]" 1
930 1 124 LEU QD 1 125 GLN H . . 6.400 2.044 1.837 2.336 . 0 0 "[ . 1 . 2]" 1
931 1 125 GLN H 1 126 ILE H . . 3.000 2.881 2.752 3.016 0.016 7 0 "[ . 1 . 2]" 1
932 1 125 GLN H 1 127 THR H . . 5.000 3.913 3.678 4.195 . 0 0 "[ . 1 . 2]" 1
933 1 125 GLN H 1 128 ILE H . . 6.000 4.930 4.778 5.140 . 0 0 "[ . 1 . 2]" 1
934 1 125 GLN H 1 125 GLN QG . . 4.500 3.387 1.902 3.995 . 0 0 "[ . 1 . 2]" 1
935 1 126 ILE H 1 127 THR H . . 3.000 2.329 2.188 2.467 . 0 0 "[ . 1 . 2]" 1
936 1 126 ILE H 1 128 ILE H . . 4.500 4.276 4.041 4.447 . 0 0 "[ . 1 . 2]" 1
937 1 126 ILE H 1 129 SER H . . 5.000 4.840 4.725 4.955 . 0 0 "[ . 1 . 2]" 1
938 1 126 ILE H 1 126 ILE MD . . 4.500 2.971 2.498 3.392 . 0 0 "[ . 1 . 2]" 1
939 1 126 ILE MD 1 127 THR H . . 5.500 4.459 4.291 4.556 . 0 0 "[ . 1 . 2]" 1
940 1 126 ILE QG 1 127 THR H . . 5.500 4.388 4.150 4.685 . 0 0 "[ . 1 . 2]" 1
941 1 126 ILE MG 1 127 THR H . . 6.500 3.699 3.386 3.935 . 0 0 "[ . 1 . 2]" 1
942 1 127 THR H 1 128 ILE H . . 3.000 2.694 2.317 3.018 0.018 8 0 "[ . 1 . 2]" 1
943 1 127 THR H 1 129 SER H . . 4.500 4.142 3.621 4.420 . 0 0 "[ . 1 . 2]" 1
944 1 127 THR H 1 130 GLN H . . 5.000 4.503 4.184 4.676 . 0 0 "[ . 1 . 2]" 1
945 1 127 THR MG 1 128 ILE H . . 5.500 3.578 3.164 3.862 . 0 0 "[ . 1 . 2]" 1
946 1 128 ILE H 1 129 SER H . . 3.000 2.650 2.437 2.959 . 0 0 "[ . 1 . 2]" 1
947 1 128 ILE H 1 130 GLN H . . 4.500 3.976 3.556 4.501 0.001 16 0 "[ . 1 . 2]" 1
948 1 128 ILE H 1 131 GLN H . . 5.000 4.369 4.154 4.553 . 0 0 "[ . 1 . 2]" 1
949 1 128 ILE H 1 128 ILE MD . . 5.500 4.071 3.899 4.187 . 0 0 "[ . 1 . 2]" 1
950 1 128 ILE MD 1 129 SER H . . 5.500 3.078 2.770 3.466 . 0 0 "[ . 1 . 2]" 1
951 1 128 ILE H 1 129 SER HG . . 6.500 5.493 5.115 5.824 . 0 0 "[ . 1 . 2]" 1
952 1 128 ILE MG 1 130 GLN H . . 6.000 4.111 3.924 4.309 . 0 0 "[ . 1 . 2]" 1
953 1 129 SER H 1 129 SER HG . . 3.500 3.483 3.326 3.597 0.097 2 0 "[ . 1 . 2]" 1
954 1 129 SER H 1 130 GLN H . . 3.000 2.754 2.556 3.010 0.010 16 0 "[ . 1 . 2]" 1
955 1 129 SER QB 1 130 GLN H . . 4.500 3.320 2.835 3.545 . 0 0 "[ . 1 . 2]" 1
956 1 129 SER HG 1 130 GLN H . . 4.500 3.100 1.942 3.732 . 0 0 "[ . 1 . 2]" 1
957 1 129 SER QB 1 131 GLN H . . 5.500 4.800 4.403 5.020 . 0 0 "[ . 1 . 2]" 1
958 1 129 SER H 1 131 GLN H . . 5.000 3.829 3.639 4.032 . 0 0 "[ . 1 . 2]" 1
959 1 130 GLN H 1 131 GLN H . . 3.000 2.407 2.215 2.716 . 0 0 "[ . 1 . 2]" 1
960 1 130 GLN H 1 132 LEU H . . 5.000 4.480 3.820 5.005 0.005 2 0 "[ . 1 . 2]" 1
961 1 131 GLN H 1 132 LEU H . . 3.000 2.747 2.329 3.023 0.023 16 0 "[ . 1 . 2]" 1
962 1 131 GLN H 1 133 GLY H . . 4.000 3.624 3.336 4.018 0.018 12 0 "[ . 1 . 2]" 1
963 1 131 GLN H 1 131 GLN QG . . 5.000 3.728 3.053 4.007 . 0 0 "[ . 1 . 2]" 1
964 1 132 LEU H 1 132 LEU MD1 . . 5.500 3.137 2.321 4.145 . 0 0 "[ . 1 . 2]" 1
965 1 132 LEU H 1 132 LEU MD2 . . 5.500 3.189 1.899 4.463 . 0 0 "[ . 1 . 2]" 1
966 1 132 LEU H 1 133 GLY H . . 3.000 2.271 1.849 2.880 . 0 0 "[ . 1 . 2]" 1
967 1 132 LEU QD 1 133 GLY H . . 7.900 3.955 2.302 4.531 . 0 0 "[ . 1 . 2]" 1
968 1 133 GLY H 1 134 LEU H . . 4.000 3.771 2.814 4.048 0.048 17 0 "[ . 1 . 2]" 1
969 1 134 LEU H 1 134 LEU HG . . 4.500 2.964 2.354 4.582 0.082 8 0 "[ . 1 . 2]" 1
970 1 134 LEU H 1 134 LEU MD1 . . 5.500 4.075 3.599 4.807 . 0 0 "[ . 1 . 2]" 1
971 1 134 LEU H 1 134 LEU MD2 . . 5.500 3.698 2.627 4.616 . 0 0 "[ . 1 . 2]" 1
972 1 134 LEU H 1 135 GLU H . . 3.000 2.021 1.860 3.107 0.107 8 0 "[ . 1 . 2]" 1
973 1 134 LEU HA 1 135 GLU H . . 4.000 3.451 2.342 3.615 . 0 0 "[ . 1 . 2]" 1
974 1 134 LEU QB 1 135 GLU H . . 4.500 3.447 1.929 4.115 . 0 0 "[ . 1 . 2]" 1
975 1 134 LEU HG 1 135 GLU H . . 4.000 2.742 2.009 4.218 0.218 8 0 "[ . 1 . 2]" 1
976 1 134 LEU MD1 1 135 GLU H . . 6.500 3.311 2.392 4.842 . 0 0 "[ . 1 . 2]" 1
977 1 134 LEU MD2 1 135 GLU H . . 6.500 4.086 3.109 5.155 . 0 0 "[ . 1 . 2]" 1
978 1 135 GLU H 1 136 LEU H . . 5.000 4.544 4.309 4.666 . 0 0 "[ . 1 . 2]" 1
979 1 136 LEU H 1 136 LEU HG . . 4.000 2.518 2.172 3.610 . 0 0 "[ . 1 . 2]" 1
980 1 135 GLU QB 1 136 LEU H . . 6.500 2.806 2.199 3.436 . 0 0 "[ . 1 . 2]" 1
981 1 135 GLU QG 1 136 LEU H . . 6.500 2.887 1.933 4.338 . 0 0 "[ . 1 . 2]" 1
982 1 139 VAL MG1 1 140 SER H . . 5.000 3.223 2.658 3.603 . 0 0 "[ . 1 . 2]" 1
983 1 139 VAL MG2 1 140 SER H . . 6.000 3.948 3.795 4.131 . 0 0 "[ . 1 . 2]" 1
984 1 144 MET H 1 144 MET ME . . 4.500 3.529 3.364 3.700 . 0 0 "[ . 1 . 2]" 1
985 1 144 MET H 1 144 MET QG . . 5.000 3.903 2.253 4.040 . 0 0 "[ . 1 . 2]" 1
986 1 136 LEU H 1 137 SER H . . 3.000 2.447 2.143 2.797 . 0 0 "[ . 1 . 2]" 1
987 1 136 LEU H 1 138 THR H . . 5.000 4.997 4.765 5.099 0.099 10 0 "[ . 1 . 2]" 1
988 1 136 LEU H 1 139 VAL H . . 6.000 5.430 5.252 5.606 . 0 0 "[ . 1 . 2]" 1
989 1 137 SER H 1 138 THR H . . 3.000 2.979 2.846 3.172 0.172 8 0 "[ . 1 . 2]" 1
990 1 137 SER H 1 139 VAL H . . 4.500 4.343 4.107 4.515 0.015 17 0 "[ . 1 . 2]" 1
991 1 137 SER H 1 140 SER H . . 6.000 4.925 4.768 5.061 . 0 0 "[ . 1 . 2]" 1
992 1 137 SER QB 1 138 THR H . . 4.500 2.456 2.238 3.324 . 0 0 "[ . 1 . 2]" 1
993 1 138 THR H 1 139 VAL QG . . 7.400 4.185 3.834 4.641 . 0 0 "[ . 1 . 2]" 1
994 1 138 THR H 1 139 VAL H . . 3.000 2.852 2.617 3.084 0.084 12 0 "[ . 1 . 2]" 1
995 1 138 THR H 1 140 SER H . . 4.500 4.349 4.067 4.521 0.021 16 0 "[ . 1 . 2]" 1
996 1 138 THR H 1 141 ASN H . . 5.000 4.766 4.533 4.932 . 0 0 "[ . 1 . 2]" 1
997 1 139 VAL H 1 140 SER H . . 3.000 2.964 2.678 3.087 0.087 8 0 "[ . 1 . 2]" 1
998 1 139 VAL H 1 141 ASN H . . 4.500 4.228 4.028 4.423 . 0 0 "[ . 1 . 2]" 1
999 1 139 VAL H 1 142 PHE H . . 6.000 5.173 4.767 5.308 . 0 0 "[ . 1 . 2]" 1
1000 1 139 VAL QG 1 140 SER H . . 7.400 3.079 2.628 3.352 . 0 0 "[ . 1 . 2]" 1
1001 1 140 SER H 1 141 ASN H . . 3.000 2.738 2.467 2.887 . 0 0 "[ . 1 . 2]" 1
1002 1 140 SER H 1 142 PHE H . . 4.500 4.426 4.166 4.552 0.052 18 0 "[ . 1 . 2]" 1
1003 1 140 SER H 1 143 PHE H . . 5.000 5.028 4.930 5.119 0.119 7 0 "[ . 1 . 2]" 1
1004 1 140 SER QB 1 141 ASN H . . 4.500 2.684 2.502 2.886 . 0 0 "[ . 1 . 2]" 1
1005 1 141 ASN H 1 142 PHE H . . 3.000 2.967 2.858 3.064 0.064 13 0 "[ . 1 . 2]" 1
1006 1 141 ASN H 1 143 PHE H . . 5.000 4.870 4.646 5.048 0.048 4 0 "[ . 1 . 2]" 1
1007 1 141 ASN H 1 144 MET H . . 6.000 4.676 4.621 4.765 . 0 0 "[ . 1 . 2]" 1
1008 1 141 ASN QB 1 142 PHE H . . 4.500 2.380 2.222 2.617 . 0 0 "[ . 1 . 2]" 1
1009 1 142 PHE QB 1 143 PHE H . . 5.500 2.327 2.145 2.495 . 0 0 "[ . 1 . 2]" 1
1010 1 142 PHE H 1 143 PHE H . . 3.000 2.705 2.598 2.859 . 0 0 "[ . 1 . 2]" 1
1011 1 142 PHE H 1 144 MET H . . 5.000 3.682 3.574 3.927 . 0 0 "[ . 1 . 2]" 1
1012 1 142 PHE H 1 145 ASN H . . 6.000 4.382 4.213 4.631 . 0 0 "[ . 1 . 2]" 1
1013 1 143 PHE H 1 144 MET H . . 3.000 3.012 2.917 3.106 0.106 4 0 "[ . 1 . 2]" 1
1014 1 143 PHE H 1 145 ASN H . . 5.000 4.595 4.431 4.739 . 0 0 "[ . 1 . 2]" 1
1015 1 143 PHE H 1 146 ALA H . . 6.000 4.572 4.464 4.735 . 0 0 "[ . 1 . 2]" 1
1016 1 143 PHE QB 1 144 MET H . . 5.500 2.723 2.522 2.852 . 0 0 "[ . 1 . 2]" 1
1017 1 144 MET H 1 145 ASN H . . 3.000 2.476 2.332 2.650 . 0 0 "[ . 1 . 2]" 1
1018 1 144 MET QB 1 145 ASN H . . 5.500 2.340 2.227 2.484 . 0 0 "[ . 1 . 2]" 1
1019 1 144 MET QG 1 145 ASN H . . 5.500 3.837 3.603 4.062 . 0 0 "[ . 1 . 2]" 1
1020 1 145 ASN H 1 146 ALA H . . 4.000 2.691 2.614 2.806 . 0 0 "[ . 1 . 2]" 1
1021 1 145 ASN H 1 145 ASN QD . . 5.500 4.217 2.899 4.524 . 0 0 "[ . 1 . 2]" 1
1022 1 146 ALA H 1 147 ARG H . . 4.000 2.745 2.393 3.088 . 0 0 "[ . 1 . 2]" 1
1023 1 147 ARG H 1 147 ARG QD . . 5.500 4.514 3.661 4.955 . 0 0 "[ . 1 . 2]" 1
1024 1 100 LEU HA 1 102 PHE H . . 5.000 4.638 3.732 5.077 0.077 8 0 "[ . 1 . 2]" 1
1025 1 103 THR HA 1 104 ASP H . . 4.000 2.392 2.208 2.570 . 0 0 "[ . 1 . 2]" 1
1026 1 103 THR HA 1 105 VAL H . . 5.000 4.333 3.802 4.608 . 0 0 "[ . 1 . 2]" 1
1027 1 104 ASP HA 1 105 VAL H . . 4.000 3.613 3.538 3.653 . 0 0 "[ . 1 . 2]" 1
1028 1 103 THR HA 1 106 GLN H . . 5.000 4.712 4.369 5.147 0.147 13 0 "[ . 1 . 2]" 1
1029 1 104 ASP HA 1 106 GLN H . . 5.000 4.499 4.090 4.763 . 0 0 "[ . 1 . 2]" 1
1030 1 105 VAL HA 1 106 GLN H . . 4.000 3.616 3.582 3.633 . 0 0 "[ . 1 . 2]" 1
1031 1 104 ASP HA 1 107 ARG H . . 4.000 3.641 3.232 3.797 . 0 0 "[ . 1 . 2]" 1
1032 1 105 VAL HA 1 107 ARG H . . 5.000 5.024 4.680 5.127 0.127 9 0 "[ . 1 . 2]" 1
1033 1 106 GLN HA 1 107 ARG H . . 4.000 3.643 3.635 3.645 . 0 0 "[ . 1 . 2]" 1
1034 1 104 ASP HA 1 108 ARG H . . 5.000 4.185 3.935 4.784 . 0 0 "[ . 1 . 2]" 1
1035 1 105 VAL HA 1 108 ARG H . . 4.000 3.606 3.418 3.802 . 0 0 "[ . 1 . 2]" 1
1036 1 106 GLN HA 1 108 ARG H . . 5.000 3.815 3.611 4.164 . 0 0 "[ . 1 . 2]" 1
1037 1 107 ARG HA 1 108 ARG H . . 4.000 3.510 3.457 3.563 . 0 0 "[ . 1 . 2]" 1
1038 1 105 VAL HA 1 109 THR H . . 5.000 4.589 4.071 4.827 . 0 0 "[ . 1 . 2]" 1
1039 1 106 GLN HA 1 109 THR H . . 4.000 3.191 2.897 3.639 . 0 0 "[ . 1 . 2]" 1
1040 1 107 ARG HA 1 109 THR H . . 5.000 4.304 4.067 4.659 . 0 0 "[ . 1 . 2]" 1
1041 1 108 ARG HA 1 109 THR H . . 4.000 3.589 3.521 3.642 . 0 0 "[ . 1 . 2]" 1
1042 1 106 GLN HA 1 110 LEU H . . 5.000 4.140 3.825 4.520 . 0 0 "[ . 1 . 2]" 1
1043 1 107 ARG HA 1 110 LEU H . . 4.000 3.724 3.529 4.065 0.065 20 0 "[ . 1 . 2]" 1
1044 1 108 ARG HA 1 110 LEU H . . 5.000 5.042 4.884 5.125 0.125 20 0 "[ . 1 . 2]" 1
1045 1 109 THR HA 1 110 LEU H . . 4.000 3.631 3.614 3.633 . 0 0 "[ . 1 . 2]" 1
1046 1 107 ARG HA 1 111 HIS H . . 5.000 3.591 3.386 3.799 . 0 0 "[ . 1 . 2]" 1
1047 1 108 ARG HA 1 111 HIS H . . 4.000 3.743 3.612 4.012 0.012 12 0 "[ . 1 . 2]" 1
1048 1 109 THR HA 1 111 HIS H . . 5.000 4.479 4.187 4.781 . 0 0 "[ . 1 . 2]" 1
1049 1 110 LEU HA 1 111 HIS H . . 4.000 3.603 3.561 3.630 . 0 0 "[ . 1 . 2]" 1
1050 1 108 ARG HA 1 112 ALA H . . 5.000 4.389 4.026 4.664 . 0 0 "[ . 1 . 2]" 1
1051 1 109 THR HA 1 112 ALA H . . 4.000 3.444 3.094 3.608 . 0 0 "[ . 1 . 2]" 1
1052 1 110 LEU HA 1 112 ALA H . . 5.000 4.016 3.739 4.418 . 0 0 "[ . 1 . 2]" 1
1053 1 111 HIS HA 1 112 ALA H . . 4.000 3.570 3.519 3.625 . 0 0 "[ . 1 . 2]" 1
1054 1 109 THR HA 1 113 ILE H . . 5.000 4.822 4.525 4.965 . 0 0 "[ . 1 . 2]" 1
1055 1 110 LEU HA 1 113 ILE H . . 4.000 3.037 2.846 3.542 . 0 0 "[ . 1 . 2]" 1
1056 1 111 HIS HA 1 113 ILE H . . 5.000 3.952 3.520 4.319 . 0 0 "[ . 1 . 2]" 1
1057 1 112 ALA HA 1 113 ILE H . . 4.000 3.522 3.473 3.594 . 0 0 "[ . 1 . 2]" 1
1058 1 110 LEU HA 1 114 PHE H . . 5.000 4.651 4.232 4.947 . 0 0 "[ . 1 . 2]" 1
1059 1 111 HIS HA 1 114 PHE H . . 4.000 3.357 2.896 3.701 . 0 0 "[ . 1 . 2]" 1
1060 1 112 ALA HA 1 114 PHE H . . 5.000 4.098 3.586 4.527 . 0 0 "[ . 1 . 2]" 1
1061 1 113 ILE HA 1 114 PHE H . . 4.000 3.562 3.466 3.628 . 0 0 "[ . 1 . 2]" 1
1062 1 113 ILE HA 1 115 LYS H . . 5.000 3.559 3.286 3.800 . 0 0 "[ . 1 . 2]" 1
1063 1 113 ILE HA 1 116 GLU H . . 5.000 3.654 2.641 4.026 . 0 0 "[ . 1 . 2]" 1
1064 1 115 LYS HA 1 116 GLU H . . 5.000 3.301 2.475 3.640 . 0 0 "[ . 1 . 2]" 1
1065 1 116 GLU HA 1 118 LYS H . . 6.000 4.767 4.184 5.916 . 0 0 "[ . 1 . 2]" 1
1066 1 117 ASN HA 1 119 ARG H . . 5.000 4.413 3.235 5.054 0.054 13 0 "[ . 1 . 2]" 1
1067 1 118 LYS HA 1 121 SER H . . 5.500 4.485 3.147 5.538 0.038 14 0 "[ . 1 . 2]" 1
1068 1 121 SER HA 1 122 LYS H . . 4.000 2.330 2.229 2.427 . 0 0 "[ . 1 . 2]" 1
1069 1 121 SER HA 1 123 GLU H . . 5.000 3.398 3.232 3.641 . 0 0 "[ . 1 . 2]" 1
1070 1 122 LYS HA 1 123 GLU H . . 4.000 3.554 3.513 3.608 . 0 0 "[ . 1 . 2]" 1
1071 1 122 LYS HA 1 124 LEU H . . 5.000 4.401 3.913 4.969 . 0 0 "[ . 1 . 2]" 1
1072 1 123 GLU HA 1 124 LEU H . . 4.000 3.595 3.501 3.644 . 0 0 "[ . 1 . 2]" 1
1073 1 122 LYS HA 1 125 GLN H . . 4.000 3.593 3.390 3.806 . 0 0 "[ . 1 . 2]" 1
1074 1 123 GLU HA 1 125 GLN H . . 5.000 4.665 4.239 5.056 0.056 8 0 "[ . 1 . 2]" 1
1075 1 124 LEU HA 1 125 GLN H . . 4.000 3.631 3.612 3.640 . 0 0 "[ . 1 . 2]" 1
1076 1 122 LYS HA 1 126 ILE H . . 5.000 4.605 4.204 4.932 . 0 0 "[ . 1 . 2]" 1
1077 1 123 GLU HA 1 126 ILE H . . 4.000 3.418 3.062 3.779 . 0 0 "[ . 1 . 2]" 1
1078 1 124 LEU HA 1 126 ILE H . . 5.000 4.146 3.929 4.422 . 0 0 "[ . 1 . 2]" 1
1079 1 125 GLN HA 1 126 ILE H . . 4.000 3.589 3.554 3.627 . 0 0 "[ . 1 . 2]" 1
1080 1 123 GLU HA 1 127 THR H . . 5.000 4.249 3.958 4.387 . 0 0 "[ . 1 . 2]" 1
1081 1 124 LEU HA 1 127 THR H . . 4.000 2.912 2.800 3.237 . 0 0 "[ . 1 . 2]" 1
1082 1 125 GLN HA 1 127 THR H . . 5.000 4.186 3.657 4.525 . 0 0 "[ . 1 . 2]" 1
1083 1 126 ILE HA 1 127 THR H . . 4.000 3.511 3.335 3.588 . 0 0 "[ . 1 . 2]" 1
1084 1 124 LEU HA 1 128 ILE H . . 5.000 3.936 3.614 4.251 . 0 0 "[ . 1 . 2]" 1
1085 1 125 GLN HA 1 128 ILE H . . 4.000 3.776 3.573 3.999 . 0 0 "[ . 1 . 2]" 1
1086 1 126 ILE HA 1 128 ILE H . . 5.000 4.421 3.926 4.796 . 0 0 "[ . 1 . 2]" 1
1087 1 127 THR HA 1 128 ILE H . . 4.000 3.611 3.571 3.632 . 0 0 "[ . 1 . 2]" 1
1088 1 125 GLN HA 1 129 SER H . . 5.000 4.289 3.736 4.514 . 0 0 "[ . 1 . 2]" 1
1089 1 126 ILE HA 1 129 SER H . . 4.000 3.385 3.182 3.651 . 0 0 "[ . 1 . 2]" 1
1090 1 127 THR HA 1 129 SER H . . 5.000 4.766 4.319 5.099 0.099 20 0 "[ . 1 . 2]" 1
1091 1 128 ILE HA 1 129 SER H . . 4.000 3.621 3.577 3.637 . 0 0 "[ . 1 . 2]" 1
1092 1 126 ILE HA 1 130 GLN H . . 5.000 3.663 3.335 4.157 . 0 0 "[ . 1 . 2]" 1
1093 1 127 THR HA 1 130 GLN H . . 4.000 3.589 3.333 3.901 . 0 0 "[ . 1 . 2]" 1
1094 1 128 ILE HA 1 130 GLN H . . 5.000 4.310 3.757 4.882 . 0 0 "[ . 1 . 2]" 1
1095 1 129 SER HA 1 130 GLN H . . 4.000 3.592 3.516 3.646 . 0 0 "[ . 1 . 2]" 1
1096 1 127 THR HA 1 131 GLN H . . 5.000 4.145 3.706 4.496 . 0 0 "[ . 1 . 2]" 1
1097 1 128 ILE HA 1 131 GLN H . . 4.000 3.107 2.839 3.364 . 0 0 "[ . 1 . 2]" 1
1098 1 129 SER HA 1 131 GLN H . . 5.000 4.055 3.711 4.318 . 0 0 "[ . 1 . 2]" 1
1099 1 130 GLN HA 1 131 GLN H . . 4.000 3.476 3.326 3.557 . 0 0 "[ . 1 . 2]" 1
1100 1 130 GLN HA 1 132 LEU H . . 5.000 4.361 3.732 4.756 . 0 0 "[ . 1 . 2]" 1
1101 1 131 GLN HA 1 132 LEU H . . 5.000 3.614 3.466 3.645 . 0 0 "[ . 1 . 2]" 1
1102 1 130 GLN HA 1 133 GLY H . . 5.000 3.088 2.881 3.775 . 0 0 "[ . 1 . 2]" 1
1103 1 133 GLY QA 1 134 LEU H . . 5.500 2.203 2.169 2.555 . 0 0 "[ . 1 . 2]" 1
1104 1 135 GLU HA 1 136 LEU H . . 5.000 2.507 2.278 2.814 . 0 0 "[ . 1 . 2]" 1
1105 1 135 GLU HA 1 137 SER H . . 5.000 3.867 3.589 4.204 . 0 0 "[ . 1 . 2]" 1
1106 1 136 LEU HA 1 137 SER H . . 4.000 3.319 3.274 3.479 . 0 0 "[ . 1 . 2]" 1
1107 1 136 LEU HA 1 138 THR H . . 5.000 4.129 3.850 4.573 . 0 0 "[ . 1 . 2]" 1
1108 1 137 SER HA 1 138 THR H . . 4.000 3.640 3.630 3.648 . 0 0 "[ . 1 . 2]" 1
1109 1 136 LEU HA 1 139 VAL H . . 4.000 3.106 2.829 3.334 . 0 0 "[ . 1 . 2]" 1
1110 1 137 SER HA 1 139 VAL H . . 5.000 4.690 4.247 4.933 . 0 0 "[ . 1 . 2]" 1
1111 1 138 THR HA 1 139 VAL H . . 4.000 3.619 3.589 3.630 . 0 0 "[ . 1 . 2]" 1
1112 1 136 LEU HA 1 140 SER H . . 5.000 4.491 3.941 4.741 . 0 0 "[ . 1 . 2]" 1
1113 1 137 SER HA 1 140 SER H . . 4.000 3.675 3.259 4.041 0.041 8 0 "[ . 1 . 2]" 1
1114 1 138 THR HA 1 140 SER H . . 5.000 4.316 3.840 4.745 . 0 0 "[ . 1 . 2]" 1
1115 1 139 VAL HA 1 140 SER H . . 4.000 3.620 3.577 3.641 . 0 0 "[ . 1 . 2]" 1
1116 1 137 SER HA 1 141 ASN H . . 5.000 4.703 3.952 4.890 . 0 0 "[ . 1 . 2]" 1
1117 1 138 THR HA 1 141 ASN H . . 4.000 3.084 2.767 3.321 . 0 0 "[ . 1 . 2]" 1
1118 1 139 VAL HA 1 141 ASN H . . 5.000 4.388 4.071 4.721 . 0 0 "[ . 1 . 2]" 1
1119 1 140 SER HA 1 141 ASN H . . 4.000 3.605 3.562 3.625 . 0 0 "[ . 1 . 2]" 1
1120 1 138 THR HA 1 142 PHE H . . 5.000 4.719 3.759 4.932 . 0 0 "[ . 1 . 2]" 1
1121 1 139 VAL HA 1 142 PHE H . . 4.000 3.650 3.446 3.906 . 0 0 "[ . 1 . 2]" 1
1122 1 140 SER HA 1 142 PHE H . . 5.000 4.236 3.858 4.531 . 0 0 "[ . 1 . 2]" 1
1123 1 141 ASN HA 1 142 PHE H . . 4.000 3.634 3.606 3.647 . 0 0 "[ . 1 . 2]" 1
1124 1 139 VAL HA 1 143 PHE H . . 5.000 3.812 3.504 4.534 . 0 0 "[ . 1 . 2]" 1
1125 1 140 SER HA 1 143 PHE H . . 4.000 3.831 3.388 4.058 0.058 8 0 "[ . 1 . 2]" 1
1126 1 141 ASN HA 1 143 PHE H . . 6.000 5.694 5.502 5.808 . 0 0 "[ . 1 . 2]" 1
1127 1 142 PHE HA 1 143 PHE H . . 4.000 3.639 3.631 3.643 . 0 0 "[ . 1 . 2]" 1
1128 1 140 SER HA 1 144 MET H . . 4.500 3.157 2.918 3.583 . 0 0 "[ . 1 . 2]" 1
1129 1 141 ASN HA 1 144 MET H . . 6.000 4.425 4.149 4.578 . 0 0 "[ . 1 . 2]" 1
1130 1 142 PHE HA 1 144 MET H . . 5.000 3.937 3.795 4.205 . 0 0 "[ . 1 . 2]" 1
1131 1 143 PHE HA 1 144 MET H . . 4.000 3.573 3.536 3.612 . 0 0 "[ . 1 . 2]" 1
1132 1 141 ASN HA 1 145 ASN H . . 5.000 4.195 3.924 4.358 . 0 0 "[ . 1 . 2]" 1
1133 1 142 PHE HA 1 145 ASN H . . 4.000 3.146 3.006 3.281 . 0 0 "[ . 1 . 2]" 1
1134 1 143 PHE HA 1 145 ASN H . . 5.000 4.996 4.834 5.114 0.114 16 0 "[ . 1 . 2]" 1
1135 1 144 MET HA 1 145 ASN H . . 4.000 3.631 3.613 3.640 . 0 0 "[ . 1 . 2]" 1
1136 1 142 PHE HA 1 146 ALA H . . 5.000 3.037 2.891 3.216 . 0 0 "[ . 1 . 2]" 1
1137 1 143 PHE HA 1 146 ALA H . . 4.000 4.035 3.961 4.081 0.081 16 0 "[ . 1 . 2]" 1
1138 1 144 MET HA 1 146 ALA H . . 5.000 4.642 4.340 4.943 . 0 0 "[ . 1 . 2]" 1
1139 1 145 ASN HA 1 146 ALA H . . 4.000 3.631 3.613 3.649 . 0 0 "[ . 1 . 2]" 1
1140 1 101 VAL MG1 1 137 SER H . . 5.500 4.076 2.403 4.541 . 0 0 "[ . 1 . 2]" 1
1141 1 101 VAL MG2 1 137 SER H . . 5.500 3.905 2.799 4.625 . 0 0 "[ . 1 . 2]" 1
1142 1 101 VAL H 1 137 SER QB . . 5.500 2.535 1.858 4.247 . 0 0 "[ . 1 . 2]" 1
1143 1 102 PHE H 1 140 SER QB . . 6.500 5.898 5.771 6.000 . 0 0 "[ . 1 . 2]" 1
1144 1 106 GLN H 1 132 LEU QB . . 4.500 3.796 2.972 4.166 . 0 0 "[ . 1 . 2]" 1
1145 1 106 GLN H 1 132 LEU QD . . 7.900 3.747 3.208 4.299 . 0 0 "[ . 1 . 2]" 1
1146 1 107 ARG H 1 128 ILE MD . . 5.500 4.034 3.850 4.202 . 0 0 "[ . 1 . 2]" 1
1147 1 107 ARG H 1 128 ILE QG . . 6.500 5.892 5.791 6.023 . 0 0 "[ . 1 . 2]" 1
1148 1 107 ARG H 1 142 PHE QD . . 7.500 6.851 6.620 6.991 . 0 0 "[ . 1 . 2]" 1
1149 1 108 ARG H 1 128 ILE MD . . 5.500 4.360 4.191 4.491 . 0 0 "[ . 1 . 2]" 1
1150 1 108 ARG H 1 142 PHE QD . . 7.500 6.929 6.794 7.084 . 0 0 "[ . 1 . 2]" 1
1151 1 108 ARG HA 1 142 PHE QD . . 7.500 6.280 6.000 6.685 . 0 0 "[ . 1 . 2]" 1
1152 1 108 ARG H 1 142 PHE QB . . 7.500 5.273 5.146 5.592 . 0 0 "[ . 1 . 2]" 1
1153 1 109 THR H 1 128 ILE MG . . 6.500 5.368 5.191 5.437 . 0 0 "[ . 1 . 2]" 1
1154 1 109 THR H 1 128 ILE MD . . 6.500 3.257 3.078 3.492 . 0 0 "[ . 1 . 2]" 1
1155 1 109 THR MG 1 128 ILE H . . 6.500 4.897 4.558 5.135 . 0 0 "[ . 1 . 2]" 1
1156 1 110 LEU H 1 132 LEU QD . . 7.900 5.279 4.782 5.857 . 0 0 "[ . 1 . 2]" 1
1157 1 110 LEU H 1 129 SER QB . . 7.500 6.845 6.711 7.055 . 0 0 "[ . 1 . 2]" 1
1158 1 110 LEU QD 1 128 ILE H . . 6.900 3.591 3.309 4.695 . 0 0 "[ . 1 . 2]" 1
1159 1 110 LEU QD 1 142 PHE H . . 6.900 4.058 3.250 4.329 . 0 0 "[ . 1 . 2]" 1
1160 1 110 LEU QD 1 125 GLN H . . 7.900 3.715 3.333 4.649 . 0 0 "[ . 1 . 2]" 1
1161 1 110 LEU MD1 1 143 PHE QD . . 6.500 4.156 2.492 4.976 . 0 0 "[ . 1 . 2]" 1
1162 1 110 LEU MD2 1 143 PHE QD . . 6.500 2.427 1.925 4.765 . 0 0 "[ . 1 . 2]" 1
1163 1 110 LEU HG 1 143 PHE QD . . 5.500 3.406 2.860 5.077 . 0 0 "[ . 1 . 2]" 1
1164 1 110 LEU QB 1 143 PHE QD . . 6.500 3.901 3.608 4.912 . 0 0 "[ . 1 . 2]" 1
1165 1 110 LEU QB 1 143 PHE QE . . 6.500 4.096 3.774 4.796 . 0 0 "[ . 1 . 2]" 1
1166 1 111 HIS H 1 142 PHE QD . . 6.500 3.885 3.699 4.011 . 0 0 "[ . 1 . 2]" 1
1167 1 111 HIS H 1 142 PHE QE . . 6.500 4.825 4.608 5.059 . 0 0 "[ . 1 . 2]" 1
1168 1 112 ALA H 1 142 PHE QD . . 6.500 5.487 5.387 5.626 . 0 0 "[ . 1 . 2]" 1
1169 1 112 ALA H 1 142 PHE QE . . 7.500 5.553 5.344 5.911 . 0 0 "[ . 1 . 2]" 1
1170 1 112 ALA H 1 128 ILE MD . . 7.500 5.986 5.618 6.204 . 0 0 "[ . 1 . 2]" 1
1171 1 113 ILE MG 1 125 GLN H . . 6.500 5.299 5.208 5.450 . 0 0 "[ . 1 . 2]" 1
1172 1 114 PHE H 1 146 ALA MB . . 5.500 4.707 4.569 4.760 . 0 0 "[ . 1 . 2]" 1
1173 1 114 PHE QD 1 143 PHE H . . 7.500 6.503 5.601 6.908 . 0 0 "[ . 1 . 2]" 1
1174 1 115 LYS H 1 142 PHE QD . . 7.500 6.981 6.787 7.137 . 0 0 "[ . 1 . 2]" 1
1175 1 115 LYS H 1 119 ARG QG . . 5.500 4.176 3.736 4.659 . 0 0 "[ . 1 . 2]" 1
1176 1 115 LYS H 1 119 ARG QD . . 5.500 4.497 3.729 4.972 . 0 0 "[ . 1 . 2]" 1
1177 1 113 ILE MD 1 116 GLU H . . 6.500 3.847 3.206 4.748 . 0 0 "[ . 1 . 2]" 1
1178 1 113 ILE MD 1 117 ASN H . . 5.500 3.220 1.969 4.437 . 0 0 "[ . 1 . 2]" 1
1179 1 113 ILE MG 1 117 ASN H . . 5.500 4.115 3.175 4.616 . 0 0 "[ . 1 . 2]" 1
1180 1 113 ILE MG 1 118 LYS H . . 5.500 3.474 1.915 4.498 . 0 0 "[ . 1 . 2]" 1
1181 1 113 ILE MD 1 118 LYS H . . 4.500 2.299 1.719 3.183 . 0 0 "[ . 1 . 2]" 1
1182 1 113 ILE QG 1 118 LYS H . . 5.500 3.459 1.924 4.284 . 0 0 "[ . 1 . 2]" 1
1183 1 113 ILE MD 1 119 ARG H . . 5.500 3.683 3.149 4.626 . 0 0 "[ . 1 . 2]" 1
1184 1 113 ILE MG 1 119 ARG H . . 5.500 3.206 2.147 3.818 . 0 0 "[ . 1 . 2]" 1
1185 1 113 ILE QG 1 119 ARG H . . 5.500 4.455 3.125 4.962 . 0 0 "[ . 1 . 2]" 1
1186 1 119 ARG H 1 121 SER QB . . 6.500 5.127 4.869 5.292 . 0 0 "[ . 1 . 2]" 1
1187 1 119 ARG H 1 124 LEU MD1 . . 5.500 4.136 3.422 4.600 . 0 0 "[ . 1 . 2]" 1
1188 1 119 ARG H 1 124 LEU MD2 . . 6.500 4.746 3.885 5.488 . 0 0 "[ . 1 . 2]" 1
1189 1 121 SER H 1 124 LEU QD . . 6.900 4.052 2.735 4.629 . 0 0 "[ . 1 . 2]" 1
1190 1 121 SER QB 1 124 LEU H . . 4.500 2.053 1.899 2.284 . 0 0 "[ . 1 . 2]" 1
1191 1 121 SER QB 1 127 THR H . . 6.500 5.858 5.758 5.966 . 0 0 "[ . 1 . 2]" 1
1192 1 124 LEU QD 1 143 PHE QD . . 8.400 5.129 4.845 5.357 . 0 0 "[ . 1 . 2]" 1
1193 1 124 LEU QD 1 143 PHE QE . . 8.400 3.374 3.061 3.728 . 0 0 "[ . 1 . 2]" 1
1194 1 125 GLN H 1 143 PHE QE . . 5.500 4.807 4.429 5.293 . 0 0 "[ . 1 . 2]" 1
1195 1 126 ILE H 1 139 VAL QG . . 7.400 4.113 3.722 4.738 . 0 0 "[ . 1 . 2]" 1
1196 1 128 ILE H 1 139 VAL QG . . 7.400 4.397 3.854 4.982 . 0 0 "[ . 1 . 2]" 1
1197 1 128 ILE MG 1 143 PHE QD . . 7.500 5.157 4.766 5.692 . 0 0 "[ . 1 . 2]" 1
1198 1 129 SER HG 1 135 GLU H . . 6.500 4.824 2.232 5.854 . 0 0 "[ . 1 . 2]" 1
1199 1 129 SER HG 1 136 LEU H . . 5.500 5.008 4.399 5.408 . 0 0 "[ . 1 . 2]" 1
1200 1 129 SER H 1 139 VAL QG . . 7.400 3.040 2.656 3.364 . 0 0 "[ . 1 . 2]" 1
1201 1 130 GLN QB 1 134 LEU H . . 5.500 4.913 4.837 5.069 . 0 0 "[ . 1 . 2]" 1
1202 1 128 ILE MD 1 131 GLN H . . 5.500 4.129 3.673 4.469 . 0 0 "[ . 1 . 2]" 1
1203 1 128 ILE QG 1 131 GLN H . . 6.500 4.774 4.391 5.174 . 0 0 "[ . 1 . 2]" 1
1204 1 128 ILE MG 1 132 LEU H . . 6.500 5.298 4.812 5.508 . 0 0 "[ . 1 . 2]" 1
1205 1 128 ILE HG12 1 132 LEU H . . 6.500 5.095 4.406 5.599 . 0 0 "[ . 1 . 2]" 1
1206 1 128 ILE HG13 1 132 LEU H . . 6.500 6.431 5.758 6.694 0.194 20 0 "[ . 1 . 2]" 1
1207 1 134 LEU H 1 137 SER QB . . 6.500 5.715 5.511 5.891 . 0 0 "[ . 1 . 2]" 1
1208 1 129 SER QB 1 135 GLU H . . 5.500 4.275 2.520 4.771 . 0 0 "[ . 1 . 2]" 1
1209 1 129 SER QB 1 136 LEU H . . 5.500 4.657 3.905 4.883 . 0 0 "[ . 1 . 2]" 1
1210 1 110 LEU H 1 139 VAL QG . . 7.900 5.374 4.975 5.725 . 0 0 "[ . 1 . 2]" 1
1211 1 110 LEU QD 1 139 VAL H . . 7.900 3.751 3.206 4.063 . 0 0 "[ . 1 . 2]" 1
1212 1 110 LEU H 1 142 PHE QB . . 5.500 4.398 4.180 4.627 . 0 0 "[ . 1 . 2]" 1
1213 1 110 LEU QD 1 143 PHE QD . . 7.900 2.283 1.922 3.001 . 0 0 "[ . 1 . 2]" 1
1214 1 110 LEU QD 1 143 PHE QE . . 7.900 1.971 1.844 2.437 . 0 0 "[ . 1 . 2]" 1
1215 1 111 HIS H 1 146 ALA MB . . 6.500 5.458 5.381 5.555 . 0 0 "[ . 1 . 2]" 1
1216 1 112 ALA H 1 142 PHE QB . . 6.500 5.370 5.076 5.698 . 0 0 "[ . 1 . 2]" 1
1217 1 113 ILE H 1 142 PHE QB . . 6.500 5.910 5.835 5.967 . 0 0 "[ . 1 . 2]" 1
1218 1 129 SER QB 1 134 LEU H . . 5.500 4.008 3.593 4.806 . 0 0 "[ . 1 . 2]" 1
1219 1 104 ASP HA 1 107 ARG QB . . 4.500 2.858 2.293 3.556 . 0 0 "[ . 1 . 2]" 1
1220 1 105 VAL HA 1 108 ARG QB . . 4.500 2.515 2.164 2.921 . 0 0 "[ . 1 . 2]" 1
1221 1 106 GLN HA 1 109 THR HB . . 4.500 2.919 2.439 3.276 . 0 0 "[ . 1 . 2]" 1
1222 1 107 ARG HA 1 110 LEU QB . . 4.500 3.145 2.532 3.551 . 0 0 "[ . 1 . 2]" 1
1223 1 108 ARG HA 1 111 HIS QB . . 4.500 2.439 2.164 3.357 . 0 0 "[ . 1 . 2]" 1
1224 1 109 THR HA 1 112 ALA MB . . 4.500 2.768 2.262 3.064 . 0 0 "[ . 1 . 2]" 1
1225 1 110 LEU HA 1 113 ILE HB . . 3.500 2.291 1.980 3.122 . 0 0 "[ . 1 . 2]" 1
1226 1 111 HIS HA 1 114 PHE QB . . 4.500 2.804 2.286 3.249 . 0 0 "[ . 1 . 2]" 1
1227 1 122 LYS HA 1 125 GLN QB . . 4.500 2.989 2.771 3.318 . 0 0 "[ . 1 . 2]" 1
1228 1 123 GLU HA 1 126 ILE HB . . 3.500 2.841 2.440 3.086 . 0 0 "[ . 1 . 2]" 1
1229 1 124 LEU HA 1 127 THR HB . . 4.500 1.999 1.922 2.187 . 0 0 "[ . 1 . 2]" 1
1230 1 125 GLN HA 1 128 ILE HB . . 4.500 4.377 4.125 4.581 0.081 12 0 "[ . 1 . 2]" 1
1231 1 126 ILE HA 1 129 SER QB . . 4.500 2.791 2.386 3.322 . 0 0 "[ . 1 . 2]" 1
1232 1 127 THR HA 1 130 GLN QB . . 4.500 2.895 2.451 3.905 . 0 0 "[ . 1 . 2]" 1
1233 1 128 ILE HA 1 131 GLN QB . . 4.500 2.026 1.913 2.347 . 0 0 "[ . 1 . 2]" 1
1234 1 136 LEU HA 1 139 VAL HB . . 3.500 2.807 2.351 3.192 . 0 0 "[ . 1 . 2]" 1
1235 1 137 SER HA 1 140 SER QB . . 4.500 3.022 2.462 3.341 . 0 0 "[ . 1 . 2]" 1
1236 1 138 THR HA 1 141 ASN QB . . 4.500 2.309 1.992 2.646 . 0 0 "[ . 1 . 2]" 1
1237 1 139 VAL HA 1 142 PHE QB . . 4.500 3.355 3.052 3.615 . 0 0 "[ . 1 . 2]" 1
1238 1 140 SER HA 1 143 PHE QB . . 4.500 2.294 2.127 2.439 . 0 0 "[ . 1 . 2]" 1
1239 1 141 ASN HA 1 144 MET QB . . 4.500 3.521 3.115 3.819 . 0 0 "[ . 1 . 2]" 1
1240 1 142 PHE HA 1 145 ASN QB . . 4.500 2.352 2.011 2.882 . 0 0 "[ . 1 . 2]" 1
1241 1 104 ASP H 1 107 ARG QB . . 6.050 4.862 4.608 5.234 . 0 0 "[ . 1 . 2]" 1
1242 1 105 VAL H 1 108 ARG QB . . 6.500 4.446 4.188 4.707 . 0 0 "[ . 1 . 2]" 1
1243 1 106 GLN H 1 109 THR HB . . 5.500 5.485 5.058 5.622 0.122 6 0 "[ . 1 . 2]" 1
1244 1 107 ARG H 1 110 LEU QB . . 6.500 5.057 4.379 5.443 . 0 0 "[ . 1 . 2]" 1
1245 1 108 ARG H 1 111 HIS QB . . 6.500 4.330 4.148 5.013 . 0 0 "[ . 1 . 2]" 1
1246 1 109 THR H 1 112 ALA MB . . 6.500 4.754 4.467 4.988 . 0 0 "[ . 1 . 2]" 1
1247 1 110 LEU H 1 113 ILE HB . . 5.500 4.880 4.608 5.555 0.055 6 0 "[ . 1 . 2]" 1
1248 1 111 HIS H 1 114 PHE QB . . 6.500 5.111 4.705 5.351 . 0 0 "[ . 1 . 2]" 1
1249 1 122 LYS H 1 125 GLN QB . . 6.050 5.157 4.998 5.416 . 0 0 "[ . 1 . 2]" 1
1250 1 123 GLU H 1 126 ILE HB . . 5.500 5.337 5.052 5.587 0.087 7 0 "[ . 1 . 2]" 1
1251 1 124 LEU H 1 127 THR HB . . 5.500 4.637 4.476 4.806 . 0 0 "[ . 1 . 2]" 1
1252 1 125 GLN H 1 128 ILE HB . . 6.500 6.054 5.766 6.315 . 0 0 "[ . 1 . 2]" 1
1253 1 126 ILE H 1 129 SER QB . . 6.500 4.934 4.661 5.212 . 0 0 "[ . 1 . 2]" 1
1254 1 127 THR H 1 130 GLN QB . . 6.500 4.666 4.454 5.181 . 0 0 "[ . 1 . 2]" 1
1255 1 128 ILE H 1 131 GLN QB . . 6.500 4.212 4.036 4.436 . 0 0 "[ . 1 . 2]" 1
1256 1 136 LEU H 1 139 VAL HB . . 5.500 5.268 4.861 5.551 0.051 3 0 "[ . 1 . 2]" 1
1257 1 137 SER H 1 140 SER QB . . 6.500 5.022 4.689 5.242 . 0 0 "[ . 1 . 2]" 1
1258 1 138 THR H 1 141 ASN QB . . 6.500 4.733 4.217 4.984 . 0 0 "[ . 1 . 2]" 1
1259 1 139 VAL H 1 142 PHE QB . . 6.500 5.470 4.883 5.696 . 0 0 "[ . 1 . 2]" 1
1260 1 140 SER H 1 143 PHE QB . . 6.500 4.127 3.880 4.661 . 0 0 "[ . 1 . 2]" 1
1261 1 141 ASN H 1 144 MET QB . . 6.500 4.499 4.364 4.767 . 0 0 "[ . 1 . 2]" 1
1262 1 142 PHE H 1 145 ASN QB . . 6.500 4.535 4.155 5.071 . 0 0 "[ . 1 . 2]" 1
1263 1 143 PHE H 1 146 ALA MB . . 6.500 4.235 3.917 4.413 . 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 38
_Distance_constraint_stats_list.Viol_count 660
_Distance_constraint_stats_list.Viol_total 6007.310
_Distance_constraint_stats_list.Viol_max 0.903
_Distance_constraint_stats_list.Viol_rms 0.2705
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3952
_Distance_constraint_stats_list.Viol_average_violations_only 0.4551
_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
1 104 ASP 12.136 0.761 20 7 "[ ** . *-** . +]"
1 105 VAL 20.669 0.826 2 15 "[*+* * *******-*** 2]"
1 106 GLN 14.844 0.680 8 4 "[ *- + 1 . * 2]"
1 107 ARG 13.684 0.804 20 7 "[ . * *-***. +]"
1 108 ARG 36.565 0.779 4 20 [***+***********-****]
1 109 THR 44.458 0.853 8 19 "[*** ***+******-*****]"
1 110 LEU 35.420 0.805 12 19 "[*** *-*****+********]"
1 111 HIS 13.684 0.804 20 7 "[ . * *-***. +]"
1 112 ALA 24.429 0.779 4 20 [***+***********-****]
1 113 ILE 23.789 0.853 8 19 "[*** *-*+************]"
1 114 PHE 20.577 0.805 12 18 "[*** * *****+******-*]"
1 122 LYS 30.302 0.886 19 20 [*****************-+*]
1 123 GLU 4.614 0.681 6 2 "[ - .+ 1 . 2]"
1 124 LEU 6.127 0.454 20 0 "[ . 1 . 2]"
1 125 GLN 25.604 0.759 14 17 "[******** **-*+** **]"
1 126 ILE 35.175 0.886 19 20 [**************-***+*]
1 127 THR 12.614 0.719 20 6 "[**- .* * . +]"
1 128 ILE 6.127 0.454 20 0 "[ . 1 . 2]"
1 129 SER 25.604 0.759 14 17 "[******** **-*+** **]"
1 130 GLN 4.873 0.709 12 2 "[ . 1 + - 2]"
1 131 GLN 8.000 0.719 20 5 "[**- . * . +]"
1 136 LEU 14.444 0.615 16 5 "[* *-. 1 .+ *2]"
1 137 SER 21.404 0.778 18 15 "[ * **-* 1*******+**]"
1 138 THR 27.043 0.903 13 19 "[*-***** ****+*******]"
1 139 VAL 5.637 0.650 7 1 "[ . + 1 . 2]"
1 140 SER 15.962 0.615 16 5 "[* *-. 1 .+ *2]"
1 141 ASN 42.075 0.778 18 18 "[*****-* ********+**]"
1 142 PHE 27.043 0.903 13 19 "[*-***** ****+*******]"
1 143 PHE 5.637 0.650 7 1 "[ . + 1 . 2]"
1 144 MET 1.519 0.351 16 0 "[ . 1 . 2]"
1 145 ASN 20.671 0.722 10 14 "[* ***** + -**** * *]"
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 1 104 ASP O 1 108 ARG H . . 1.700 2.136 1.780 2.461 0.761 20 7 "[ ** . *-** . +]" 2
2 1 104 ASP O 1 108 ARG N . . 2.700 2.847 2.477 3.177 0.477 2 0 "[ . 1 . 2]" 2
3 1 105 VAL O 1 109 THR H . . 1.700 2.317 2.034 2.526 0.826 2 15 "[*+* * -********** 2]" 2
4 1 105 VAL O 1 109 THR N . . 2.700 3.117 2.821 3.381 0.681 2 7 "[*+* . 1 ** -* 2]" 2
5 1 106 GLN O 1 110 LEU H . . 1.700 2.116 1.763 2.380 0.680 8 4 "[ ** + 1 . - 2]" 2
6 1 106 GLN O 1 110 LEU N . . 2.700 3.026 2.739 3.276 0.576 8 2 "[ .- + 1 . 2]" 2
7 1 107 ARG O 1 111 HIS H . . 1.700 2.106 1.700 2.504 0.804 20 7 "[ . * *-***. +]" 2
8 1 107 ARG O 1 111 HIS N . . 2.700 2.968 2.597 3.357 0.657 12 4 "[ . * 1 +- . *]" 2
9 1 108 ARG O 1 112 ALA H . . 1.700 2.427 2.388 2.479 0.779 4 20 [***+***********-****] 2
10 1 108 ARG O 1 112 ALA N . . 2.700 3.195 3.036 3.364 0.664 7 11 "[ **** +* *** .- * 2]" 2
11 1 109 THR O 1 113 ILE H . . 1.700 2.437 2.137 2.553 0.853 8 19 "[*** ***+**********-*]" 2
12 1 109 THR O 1 113 ILE N . . 2.700 3.152 2.826 3.335 0.635 8 7 "[*** .-*+ 1 .* 2]" 2
13 1 110 LEU O 1 114 PHE H . . 1.700 2.315 2.115 2.505 0.805 12 18 "[*** * *****+******-*]" 2
14 1 110 LEU O 1 114 PHE N . . 2.700 3.114 2.900 3.306 0.606 12 3 "[ . 1 +* . - 2]" 2
15 1 122 LYS O 1 126 ILE H . . 1.700 2.524 2.431 2.586 0.886 19 20 [*****************-+*] 2
16 1 122 LYS O 1 126 ILE N . . 2.700 3.391 3.269 3.456 0.756 17 20 [****************+-**] 2
17 1 123 GLU O 1 127 THR H . . 1.700 1.898 1.725 2.381 0.681 6 2 "[ - .+ 1 . 2]" 2
18 1 123 GLU O 1 127 THR N . . 2.700 2.633 2.433 3.144 0.444 6 0 "[ . 1 . 2]" 2
19 1 124 LEU O 1 128 ILE H . . 1.700 1.896 1.782 2.154 0.454 20 0 "[ . 1 . 2]" 2
20 1 124 LEU O 1 128 ILE N . . 2.700 2.809 2.683 3.009 0.309 20 0 "[ . 1 . 2]" 2
21 1 125 GLN O 1 129 SER H . . 1.700 2.356 2.158 2.459 0.759 14 17 "[******** **-*+** **]" 2
22 1 125 GLN O 1 129 SER N . . 2.700 3.324 3.072 3.447 0.747 10 17 "[******** +*-**** **]" 2
23 1 126 ILE O 1 130 GLN H . . 1.700 1.872 1.681 2.409 0.709 12 2 "[ . 1 + - 2]" 2
24 1 126 ILE O 1 130 GLN N . . 2.700 2.742 2.541 3.238 0.538 12 1 "[ . 1 + . 2]" 2
25 1 127 THR O 1 131 GLN H . . 1.700 2.064 1.762 2.419 0.719 20 5 "[**- . * . +]" 2
26 1 127 THR O 1 131 GLN N . . 2.700 2.676 2.568 3.120 0.420 20 0 "[ . 1 . 2]" 2
27 1 136 LEU O 1 140 SER H . . 1.700 2.096 1.818 2.315 0.615 16 5 "[* *-. 1 .+ *2]" 2
28 1 136 LEU O 1 140 SER N . . 2.700 3.026 2.746 3.254 0.554 16 2 "[ - . 1 .+ 2]" 2
29 1 137 SER O 1 141 ASN H . . 1.700 2.290 1.797 2.478 0.778 18 15 "[ * **** 1-******+**]" 2
30 1 137 SER O 1 141 ASN N . . 2.700 3.180 2.751 3.386 0.686 13 13 "[ * **-* 1 +*******]" 2
31 1 138 THR O 1 142 PHE H . . 1.700 2.450 1.713 2.603 0.903 13 19 "[*-***** ****+*******]" 2
32 1 138 THR O 1 142 PHE N . . 2.700 3.301 2.685 3.463 0.763 12 18 "[* **-** ***+********]" 2
33 1 139 VAL O 1 143 PHE H . . 1.700 1.931 1.805 2.350 0.650 7 1 "[ . + 1 . 2]" 2
34 1 139 VAL O 1 143 PHE N . . 2.700 2.724 2.569 3.291 0.591 7 1 "[ . + 1 . 2]" 2
35 1 140 SER O 1 144 MET H . . 1.700 1.756 1.646 2.051 0.351 16 0 "[ . 1 . 2]" 2
36 1 140 SER O 1 144 MET N . . 2.700 2.648 2.549 2.923 0.223 16 0 "[ . 1 . 2]" 2
37 1 141 ASN O 1 145 ASN H . . 1.700 2.263 1.828 2.422 0.722 10 14 "[* ***** + -**** * *]" 2
38 1 141 ASN O 1 145 ASN N . . 2.700 3.170 2.697 3.372 0.672 7 12 "[* ****+ * *** - *]" 2
stop_
save_
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