NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
435314 |
2jyo   |
15596 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jyo
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 922
_Distance_constraint_stats_list.Viol_count 18067
_Distance_constraint_stats_list.Viol_total 787941.875
_Distance_constraint_stats_list.Viol_max 4.623
_Distance_constraint_stats_list.Viol_rms 1.0250
_Distance_constraint_stats_list.Viol_average_all_restraints 2.1365
_Distance_constraint_stats_list.Viol_average_violations_only 2.1806
_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 ALA 127.543 4.041 19 20 [*********-********+*]
1 2 SER 357.158 4.041 19 20 [***-**************+*]
1 3 ASN 389.411 3.960 11 20 [*******-**+*********]
1 4 PHE 902.468 4.067 4 20 [***+****-***********]
1 5 ASP 606.149 4.210 4 20 [***+**-*************]
1 6 CYS 1031.554 4.367 12 20 [***********+*****-**]
1 7 CYS 1078.714 4.150 11 20 [**********+*******-*]
1 8 LEU 598.594 4.036 1 20 [+**********-********]
1 9 GLY 545.203 3.812 5 20 [****+*************-*]
1 10 TYR 858.885 4.136 4 20 [***+******-*********]
1 11 THR 1037.393 4.273 6 20 [-****+**************]
1 12 ASP 386.385 4.096 14 20 [***-*********+******]
1 13 ARG 883.639 4.096 14 20 [-************+******]
1 14 ILE 1289.042 4.059 19 20 [***************-**+*]
1 15 LEU 1659.062 4.403 6 20 [-****+**************]
1 16 HIS 1350.899 4.377 4 20 [***+*-**************]
1 17 PRO 1145.422 4.377 4 20 [***+***-************]
1 18 LYS 1084.947 4.053 19 20 [**************-***+*]
1 19 PHE 1278.123 4.012 12 20 [***********+**-*****]
1 20 ILE 2736.443 4.373 10 20 [*********+**********]
1 21 VAL 820.825 4.084 9 20 [********+******-****]
1 22 GLY 978.556 4.084 9 20 [********+-**********]
1 23 PHE 3476.622 4.200 12 20 [******-****+********]
1 24 THR 1271.567 4.257 7 20 [******+*************]
1 25 ARG 1139.034 4.159 6 20 [*****+********-*****]
1 26 GLN 1377.831 4.521 3 20 [**+*************-***]
1 27 LEU 762.972 4.159 6 20 [****-+**************]
1 28 ALA 1324.264 4.028 13 20 [********-***+*******]
1 29 ASN 723.838 4.194 9 20 [********+***-*******]
1 30 GLU 693.883 4.194 9 20 [********+*-*********]
1 31 GLY 378.676 4.121 15 20 [************-*+*****]
1 32 CYS 992.715 4.367 12 20 [**********-+********]
1 33 ASP 673.428 4.194 9 20 [********+***********]
1 34 ILE 1261.669 4.116 15 20 [**************+**-**]
1 35 ASN 1455.198 4.116 15 20 [-*************+*****]
1 36 ALA 1301.257 4.521 3 20 [**+****-************]
1 37 ILE 2411.407 4.623 7 20 [******+*******-*****]
1 38 ILE 1811.769 4.257 7 20 [***-**+*************]
1 39 PHE 3445.129 4.373 10 20 [*********+***-******]
1 40 HIS 2373.239 4.031 19 20 [**-***************+*]
1 41 THR 1768.789 4.403 6 20 [*****+*********-****]
1 42 LYS 1030.502 3.742 9 20 [********+**********-]
1 43 LYS 782.751 3.867 9 20 [********+**********-]
1 44 LYS 589.443 3.637 11 20 [**********+**-******]
1 45 LEU 969.818 4.060 16 20 [**-************+****]
1 46 SER 1077.731 4.117 10 20 [*********+*-********]
1 47 VAL 1697.589 4.403 6 20 [*****+******-*******]
1 48 CYS 1262.154 4.082 1 20 [+******-************]
1 49 ALA 1610.424 4.623 7 20 [***-**+*************]
1 50 ASN 1381.060 4.221 4 20 [***+***-************]
1 51 PRO 1235.496 3.922 19 20 [**************-***+*]
1 52 LYS 700.605 4.068 9 20 [*****-**+***********]
1 53 GLN 1428.407 4.221 4 20 [***+*******-********]
1 54 THR 882.987 3.869 10 20 [********-+**********]
1 55 TRP 3631.279 4.139 13 20 [***********-+*******]
1 56 VAL 2264.851 4.322 19 20 [****************-*+*]
1 57 LYS 1382.864 4.139 13 20 [*******-****+*******]
1 58 TYR 1669.614 3.774 3 20 [**+******-**********]
1 59 ILE 2767.760 4.267 18 20 [-****************+**]
1 60 VAL 1947.534 4.128 11 20 [**********+*-*******]
1 61 ARG 1132.534 4.021 4 20 [***+*****-**********]
1 62 LEU 1144.660 3.742 9 20 [********+********-**]
1 63 LEU 1375.136 4.081 16 20 [********-******+****]
1 64 SER 946.127 4.021 4 20 [***+****-***********]
1 65 LYS 676.417 3.972 3 20 [**+************-****]
1 66 LYS 566.389 3.972 3 20 [**+**************-**]
1 67 VAL 569.474 4.016 9 20 [********+***-*******]
1 68 LYS 522.982 4.067 4 20 [***+*************-**]
1 69 ASN 426.105 4.068 9 20 [****-***+***********]
1 70 MET 186.504 3.876 7 20 [****-*+*************]
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 63 LEU HA 1 64 SER HA 6.000 5.900 6.100 4.092 4.003 4.146 1.897 3 20 [**+************-****] 1
2 1 7 CYS H 1 8 LEU H 6.000 5.900 6.100 4.501 4.209 4.624 1.691 15 20 [********-*****+*****] 1
3 1 39 PHE H 1 49 ALA H 6.000 5.900 6.100 3.066 2.885 3.196 3.015 11 20 [**********+*-*******] 1
4 1 48 CYS H 1 49 ALA H 6.000 5.900 6.100 3.955 3.764 4.150 2.136 6 20 [****-+**************] 1
5 1 37 ILE H 1 49 ALA H 6.000 5.900 6.100 3.614 3.281 3.912 2.619 7 20 [******+*-***********] 1
6 1 55 TRP H 1 55 TRP HE1 6.000 5.900 6.100 4.639 4.511 4.822 1.389 9 20 [*****-**+***********] 1
7 1 6 CYS H 1 7 CYS H 6.000 5.900 6.100 4.503 4.026 4.615 1.874 18 20 [*-***************+**] 1
8 1 49 ALA H 1 50 ASN QD 6.000 5.900 6.100 4.721 4.639 4.895 1.261 20 20 [*********-*********+] 1
9 1 55 TRP HE1 1 56 VAL H 6.000 5.900 6.100 4.345 4.243 4.650 1.657 15 20 [************-*+*****] 1
10 1 48 CYS HA 1 49 ALA H 6.000 5.900 6.100 2.197 2.105 2.291 3.795 5 20 [****+**************-] 1
11 1 38 ILE HA 1 49 ALA H 6.000 5.900 6.100 3.072 2.745 3.347 3.155 19 20 [***-**************+*] 1
12 1 6 CYS HA 1 7 CYS H 6.000 5.900 6.100 2.362 2.122 2.988 3.778 9 20 [********+********-**] 1
13 1 53 GLN HA 1 55 TRP HE1 6.000 5.900 6.100 5.269 4.593 5.726 1.307 10 11 "[ ** ***+ -* * * *]" 1
14 1 48 CYS QB 1 49 ALA H 6.000 5.900 6.100 3.734 3.584 3.813 2.316 5 20 [****+**************-] 1
15 1 14 ILE HA 1 55 TRP HE1 6.000 5.900 6.100 3.484 3.304 3.831 2.596 11 20 [**********+****-****] 1
16 1 53 GLN QG 1 55 TRP HE1 6.000 5.900 6.100 3.069 1.929 3.653 3.971 16 20 [************-**+****] 1
17 1 53 GLN QB 1 55 TRP HE1 6.000 5.900 6.100 2.696 2.277 3.071 3.623 10 20 [*****-***+**********] 1
18 1 11 THR MG 1 49 ALA H 6.000 5.900 6.100 4.003 3.602 4.513 2.298 12 20 [***********+***-****] 1
19 1 7 CYS H 1 36 ALA MB 6.000 5.900 6.100 2.675 2.066 3.318 3.834 4 20 [***+******-*********] 1
20 1 36 ALA MB 1 49 ALA H 6.000 5.900 6.100 4.084 3.635 4.397 2.265 13 20 [**********-*+*******] 1
21 1 37 ILE HB 1 49 ALA H 6.000 5.900 6.100 3.488 3.109 3.824 2.791 4 20 [-**+****************] 1
22 1 7 CYS H 1 34 ILE QG 6.000 5.900 6.100 4.243 2.754 5.321 3.146 14 20 [**********-**+******] 1
23 1 14 ILE QG 1 55 TRP HE1 6.000 5.900 6.100 4.236 3.786 4.464 2.114 18 20 [*****************+-*] 1
24 1 14 ILE MD 1 55 TRP HE1 6.000 5.900 6.100 3.326 2.762 3.990 3.138 7 20 [******+********-****] 1
25 1 38 ILE MG 1 49 ALA H 6.000 5.900 6.100 4.801 4.447 5.138 1.453 19 20 [***-**************+*] 1
26 1 14 ILE QG 1 55 TRP HE1 6.000 5.900 6.100 3.991 3.671 4.176 2.229 18 20 [**************-**+**] 1
27 1 37 ILE MG 1 49 ALA H 6.000 5.900 6.100 3.917 3.609 4.156 2.291 2 20 [*+****************-*] 1
28 1 55 TRP HE1 1 56 VAL QG 6.000 5.900 6.100 3.344 3.136 4.112 2.764 5 20 [****+*-*************] 1
29 1 37 ILE MG 1 39 PHE H 6.000 5.900 6.100 3.619 3.228 4.152 2.672 4 20 [***+**************-*] 1
30 1 28 ALA MB 1 36 ALA H 6.000 5.900 6.100 5.671 5.191 6.144 0.709 13 5 "[ *. - 1 +*. *]" 1
31 1 26 GLN QB 1 36 ALA H 6.000 5.900 6.100 2.650 1.974 3.793 3.926 18 20 [**-**************+**] 1
32 1 26 GLN QG 1 36 ALA H 6.000 5.900 6.100 3.380 1.769 4.504 4.131 7 20 [******+***-*********] 1
33 1 35 ASN QB 1 36 ALA H 6.000 5.900 6.100 3.130 2.781 3.417 3.119 7 20 [******+***********-*] 1
34 1 27 LEU HA 1 36 ALA H 6.000 5.900 6.100 4.249 3.773 4.623 2.127 15 20 [***-**********+*****] 1
35 1 35 ASN HA 1 36 ALA H 6.000 5.900 6.100 2.141 2.076 2.222 3.824 11 20 [**********+******-**] 1
36 1 28 ALA H 1 36 ALA H 6.000 5.900 6.100 5.732 5.282 6.047 0.618 5 2 "[ + 1 - 2]" 1
37 1 36 ALA H 1 37 ILE H 6.000 5.900 6.100 4.356 4.222 4.446 1.678 1 20 [+**************-****] 1
38 1 26 GLN H 1 36 ALA H 6.000 5.900 6.100 3.638 3.232 4.123 2.668 11 20 [**********+*-*******] 1
39 1 35 ASN H 1 36 ALA H 6.000 5.900 6.100 4.299 4.022 4.471 1.878 17 20 [********-*******+***] 1
40 1 39 PHE H 1 47 VAL H 6.000 5.900 6.100 3.503 3.439 3.548 2.461 20 20 [******-************+] 1
41 1 38 ILE H 1 39 PHE H 6.000 5.900 6.100 4.209 4.071 4.349 1.829 7 20 [******+***********-*] 1
42 1 23 PHE H 1 24 THR H 6.000 5.900 6.100 3.305 3.155 3.532 2.745 17 20 [***************-+***] 1
43 1 39 PHE H 1 40 HIS H 6.000 5.900 6.100 4.406 4.302 4.525 1.598 3 20 [**+*****-***********] 1
44 1 11 THR H 1 50 ASN H 6.000 5.900 6.100 2.565 2.305 2.711 3.595 16 20 [***************+***-] 1
45 1 11 THR H 1 48 CYS H 6.000 5.900 6.100 4.442 3.914 5.332 1.986 5 20 [****+************-**] 1
46 1 25 ARG H 1 26 GLN H 6.000 5.900 6.100 4.329 4.036 4.560 1.864 9 20 [********+**-********] 1
47 1 40 HIS H 1 41 THR H 6.000 5.900 6.100 3.944 3.915 3.979 1.985 11 20 [******-***+*********] 1
48 1 46 SER H 1 47 VAL H 6.000 5.900 6.100 4.308 4.124 4.442 1.776 3 20 [**+*****-***********] 1
49 1 11 THR H 1 12 ASP H 6.000 5.900 6.100 4.475 4.350 4.602 1.550 6 20 [*****+-*************] 1
50 1 23 PHE H 1 40 HIS H 6.000 5.900 6.100 4.204 4.055 4.508 1.845 3 20 [**+************-****] 1
51 1 10 TYR H 1 11 THR H 6.000 5.900 6.100 4.472 4.309 4.615 1.591 4 20 [*-*+****************] 1
52 1 27 LEU H 1 28 ALA H 6.000 5.900 6.100 4.492 4.411 4.585 1.489 13 20 [****-*******+*******] 1
53 1 11 THR H 1 13 ARG H 6.000 5.900 6.100 5.246 4.861 5.689 1.039 7 16 "[- ****+ ******.****2]" 1
54 1 41 THR H 1 44 LYS H 6.000 5.900 6.100 4.372 4.057 4.859 1.843 20 20 [*******-***********+] 1
55 1 22 GLY H 1 23 PHE H 6.000 5.900 6.100 4.367 4.299 4.429 1.601 20 20 [*****************-*+] 1
56 1 54 THR H 1 55 TRP HD1 6.000 5.900 6.100 3.916 3.624 4.172 2.276 16 20 [*****-*********+****] 1
57 1 54 THR H 1 57 LYS H 6.000 5.900 6.100 4.590 4.415 4.877 1.485 12 20 [***********+-*******] 1
58 1 8 LEU H 1 9 GLY H 6.000 5.900 6.100 2.596 2.332 3.261 3.568 19 20 [************-*****+*] 1
59 1 34 ILE H 1 35 ASN H 6.000 5.900 6.100 4.439 4.220 4.546 1.680 17 20 [***********-****+***] 1
60 1 23 PHE H 1 23 PHE QE 6.000 5.900 6.100 5.866 5.754 5.954 0.146 16 0 "[ . 1 . 2]" 1
61 1 41 THR H 1 45 LEU H 6.000 5.900 6.100 3.509 3.141 4.269 2.759 3 20 [**+**************-**] 1
62 1 23 PHE QE 1 25 ARG H 6.000 5.900 6.100 3.777 3.304 4.505 2.596 10 20 [*********+*******-**] 1
63 1 53 GLN H 1 54 THR H 6.000 5.900 6.100 4.542 4.478 4.633 1.422 15 20 [**************+-****] 1
64 1 24 THR H 1 40 HIS HD2 6.000 5.900 6.100 3.001 2.793 3.213 3.107 1 20 [+******************-] 1
65 1 23 PHE QD 1 24 THR H 6.000 5.900 6.100 3.163 2.920 3.462 2.980 16 20 [**********-****+****] 1
66 1 39 PHE H 1 39 PHE QE 6.000 5.900 6.100 5.115 4.944 5.300 0.956 11 20 [**********+****-****] 1
67 1 23 PHE QD 1 25 ARG H 6.000 5.900 6.100 4.478 4.069 5.078 1.831 10 20 [*********+*******-**] 1
68 1 10 TYR QD 1 11 THR H 6.000 5.900 6.100 3.874 3.648 4.199 2.252 19 20 [**************-***+*] 1
69 1 23 PHE H 1 40 HIS HD2 6.000 5.900 6.100 3.140 2.747 3.584 3.153 11 20 [**********+****-****] 1
70 1 23 PHE HA 1 24 THR H 6.000 5.900 6.100 2.112 2.050 2.141 3.850 7 20 [****-*+*************] 1
71 1 54 THR H 1 56 VAL H 6.000 5.900 6.100 4.083 3.943 4.312 1.957 5 20 [****+***-***********] 1
72 1 39 PHE H 1 46 SER HA 6.000 5.900 6.100 4.858 4.629 5.108 1.271 3 20 [**+*******-*********] 1
73 1 41 THR H 1 46 SER HA 6.000 5.900 6.100 3.288 2.737 3.520 3.163 8 20 [***-***+************] 1
74 1 40 HIS HA 1 47 VAL H 6.000 5.900 6.100 3.232 3.010 3.624 2.890 19 20 [***-**************+*] 1
75 1 40 HIS HA 1 41 THR H 6.000 5.900 6.100 2.138 2.116 2.160 3.784 19 20 [**-***************+*] 1
76 1 46 SER HA 1 47 VAL H 6.000 5.900 6.100 2.141 2.093 2.204 3.807 6 20 [***-*+**************] 1
77 1 21 VAL H 1 41 THR HA 6.000 5.900 6.100 2.990 2.670 3.256 3.230 16 20 [-**************+****] 1
78 1 41 THR HA 1 42 LYS H 6.000 5.900 6.100 2.302 2.220 2.363 3.680 16 20 [*********-*****+****] 1
79 1 23 PHE HA 1 40 HIS H 6.000 5.900 6.100 2.858 2.754 2.980 3.146 8 20 [*******+*****-******] 1
80 1 26 GLN H 1 35 ASN HA 6.000 5.900 6.100 4.303 3.983 4.602 1.917 11 20 [******-***+*********] 1
81 1 24 THR H 1 39 PHE HA 6.000 5.900 6.100 3.568 3.276 3.717 2.624 9 20 [********+**-********] 1
82 1 23 PHE H 1 39 PHE HA 6.000 5.900 6.100 4.515 4.439 4.592 1.461 9 20 [********+******-****] 1
83 1 11 THR H 1 49 ALA HA 6.000 5.900 6.100 3.576 3.239 3.953 2.661 11 20 [-*********+*********] 1
84 1 39 PHE HA 1 40 HIS H 6.000 5.900 6.100 2.128 2.098 2.172 3.802 4 20 [***+****-***********] 1
85 1 10 TYR HA 1 11 THR H 6.000 5.900 6.100 2.549 2.345 2.822 3.555 13 20 [***-********+*******] 1
86 1 11 THR H 1 48 CYS HA 6.000 5.900 6.100 5.117 4.710 5.908 1.190 2 17 "[-+* ************* *]" 1
87 1 39 PHE H 1 48 CYS HA 6.000 5.900 6.100 3.883 3.400 4.289 2.500 5 20 [-***+***************] 1
88 1 38 ILE H 1 48 CYS HA 6.000 5.900 6.100 4.896 4.344 5.416 1.556 11 19 "[ *********+*-*******]" 1
89 1 38 ILE HA 1 39 PHE H 6.000 5.900 6.100 2.192 2.157 2.232 3.743 17 20 [**************-*+***] 1
90 1 7 CYS HA 1 8 LEU H 6.000 5.900 6.100 2.191 2.118 2.355 3.782 7 20 [******+******-******] 1
91 1 38 ILE HA 1 48 CYS H 6.000 5.900 6.100 4.912 4.508 5.208 1.392 11 20 [**********+****-****] 1
92 1 11 THR HB 1 48 CYS H 6.000 5.900 6.100 3.428 2.842 3.975 3.058 12 20 [***********+***-****] 1
93 1 19 PHE HA 1 42 LYS H 6.000 5.900 6.100 3.594 3.317 3.872 2.583 20 20 [*************-*****+] 1
94 1 45 LEU HA 1 46 SER H 6.000 5.900 6.100 2.173 2.109 2.484 3.791 18 20 [*******-*********+**] 1
95 1 11 THR HB 1 12 ASP H 6.000 5.900 6.100 3.876 3.540 4.326 2.360 5 20 [****+-**************] 1
96 1 11 THR HA 1 12 ASP H 6.000 5.900 6.100 2.445 2.166 2.748 3.734 6 20 [*****+*-************] 1
97 1 42 LYS H 1 43 LYS HA 6.000 5.900 6.100 5.119 4.994 5.272 0.906 5 20 [****+**************-] 1
98 1 26 GLN H 1 37 ILE HA 6.000 5.900 6.100 2.971 2.587 3.371 3.313 14 20 [**********-**+******] 1
99 1 22 GLY QA 1 23 PHE H 6.000 5.900 6.100 1.983 1.955 2.027 3.945 13 20 [**********-*+*******] 1
100 1 47 VAL HA 1 48 CYS H 6.000 5.900 6.100 2.186 2.150 2.213 3.750 14 20 [*************+****-*] 1
101 1 41 THR HB 1 42 LYS H 6.000 5.900 6.100 2.492 2.332 2.669 3.568 12 20 [***********+***-****] 1
102 1 16 HIS HA 1 18 LYS H 6.000 5.900 6.100 3.789 3.610 3.960 2.290 19 20 [******************+-] 1
103 1 23 PHE HA 1 39 PHE HA 6.000 5.900 6.100 2.400 2.219 2.597 3.681 9 20 [******-*+***********] 1
104 1 53 GLN HA 1 54 THR H 6.000 5.900 6.100 2.256 2.159 2.496 3.741 10 20 [*********+**-*******] 1
105 1 20 ILE HA 1 21 VAL H 6.000 5.900 6.100 2.135 2.115 2.170 3.785 19 20 [******-***********+*] 1
106 1 12 ASP H 1 13 ARG HA 6.000 5.900 6.100 4.614 4.090 5.124 1.810 5 20 [****+**********-****] 1
107 1 20 ILE HA 1 40 HIS H 6.000 5.900 6.100 3.504 3.149 3.859 2.751 16 20 [***********-***+****] 1
108 1 1 ALA HA 1 2 SER H 6.000 5.900 6.100 2.860 2.146 3.598 3.754 8 20 [*******+*-**********] 1
109 1 18 LYS HA 1 21 VAL H 6.000 5.900 6.100 4.546 4.234 4.836 1.666 19 20 [**-***************+*] 1
110 1 24 THR HB 1 38 ILE H 6.000 5.900 6.100 3.908 3.567 4.323 2.333 7 20 [******+********-****] 1
111 1 24 THR HB 1 25 ARG H 6.000 5.900 6.100 4.285 3.941 4.407 1.959 7 20 [******+*******-*****] 1
112 1 41 THR H 1 44 LYS HA 6.000 5.900 6.100 4.819 4.366 5.516 1.534 20 19 "[******* *****-*****+]" 1
113 1 46 SER QB 1 47 VAL H 6.000 5.900 6.100 3.482 3.232 3.694 2.668 8 20 [***-***+************] 1
114 1 11 THR H 1 48 CYS QB 6.000 5.900 6.100 3.293 2.811 4.173 3.089 2 20 [*+***************-**] 1
115 1 10 TYR QB 1 11 THR H 6.000 5.900 6.100 2.117 1.764 2.479 4.136 4 20 [***+**********-*****] 1
116 1 40 HIS QB 1 41 THR H 6.000 5.900 6.100 3.445 3.311 3.524 2.589 9 20 [********+********-**] 1
117 1 25 ARG H 1 25 ARG QD 6.000 5.900 6.100 3.975 1.754 4.897 4.146 8 20 [*******+**-*********] 1
118 1 19 PHE QB 1 42 LYS H 6.000 5.900 6.100 3.479 3.097 3.990 2.803 19 20 [***************-**+*] 1
119 1 40 HIS HE1 1 46 SER QB 6.000 5.900 6.100 3.907 3.240 4.643 2.660 19 20 [***-**************+*] 1
120 1 23 PHE QB 1 24 THR H 6.000 5.900 6.100 3.602 3.573 3.640 2.327 5 20 [****+*****-*********] 1
121 1 7 CYS QB 1 8 LEU H 6.000 5.900 6.100 3.414 2.641 3.863 3.259 9 20 [********+*-*********] 1
122 1 6 CYS QB 1 8 LEU H 6.000 5.900 6.100 3.377 2.637 3.802 3.263 9 20 [********+*-*********] 1
123 1 39 PHE QB 1 47 VAL H 6.000 5.900 6.100 3.630 3.458 3.756 2.442 8 20 [****-**+************] 1
124 1 39 PHE QB 1 40 HIS H 6.000 5.900 6.100 3.264 2.998 3.445 2.902 9 20 [**-*****+***********] 1
125 1 23 PHE QB 1 40 HIS H 6.000 5.900 6.100 3.951 3.737 4.162 2.163 1 20 [+******************-] 1
126 1 53 GLN QG 1 54 THR H 6.000 5.900 6.100 4.343 4.083 4.697 1.817 15 20 [******-*******+*****] 1
127 1 47 VAL HB 1 48 CYS H 6.000 5.900 6.100 4.174 4.046 4.304 1.854 19 20 [**************-***+*] 1
128 1 17 PRO QG 1 18 LYS H 6.000 5.900 6.100 2.884 2.492 3.732 3.408 3 20 [**+*-***************] 1
129 1 17 PRO QB 1 18 LYS H 6.000 5.900 6.100 3.105 2.622 3.333 3.278 20 20 [*************-*****+] 1
130 1 34 ILE HB 1 35 ASN H 6.000 5.900 6.100 2.537 1.784 3.393 4.116 15 20 [**************+****-] 1
131 1 53 GLN QB 1 54 THR H 6.000 5.900 6.100 2.840 2.362 3.134 3.538 16 20 [***************+***-] 1
132 1 39 PHE H 1 47 VAL HB 6.000 5.900 6.100 3.318 2.847 3.692 3.053 6 20 [*****+**-***********] 1
133 1 24 THR H 1 38 ILE HB 6.000 5.900 6.100 2.887 2.614 3.295 3.286 3 20 [**+*******-*********] 1
134 1 25 ARG QB 1 26 GLN H 6.000 5.900 6.100 3.485 3.042 3.945 2.858 1 20 [+-******************] 1
135 1 42 LYS H 1 42 LYS QD 6.000 5.900 6.100 4.226 3.564 4.733 2.336 6 20 [**-**+**************] 1
136 1 11 THR MG 1 48 CYS H 6.000 5.900 6.100 3.796 3.050 4.272 2.850 6 20 [*****+****-*********] 1
137 1 38 ILE HB 1 39 PHE H 6.000 5.900 6.100 4.413 4.305 4.516 1.595 19 20 [*****-************+*] 1
138 1 36 ALA MB 1 39 PHE H 6.000 5.900 6.100 5.958 5.706 6.103 0.194 14 0 "[ . 1 . 2]" 1
139 1 36 ALA MB 1 38 ILE H 6.000 5.900 6.100 4.474 4.052 4.819 1.848 11 20 [******-***+*********] 1
140 1 26 GLN H 1 36 ALA MB 6.000 5.900 6.100 4.235 3.757 4.632 2.143 6 20 [*****+******-*******] 1
141 1 25 ARG QG 1 26 GLN H 6.000 5.900 6.100 4.012 3.059 4.425 2.841 4 20 [***+****-***********] 1
142 1 20 ILE QG 1 40 HIS H 6.000 5.900 6.100 3.873 3.282 4.597 2.618 1 20 [+************-******] 1
143 1 21 VAL H 1 41 THR MG 6.000 5.900 6.100 4.622 4.301 4.919 1.599 3 20 [**+***************-*] 1
144 1 40 HIS H 1 41 THR MG 6.000 5.900 6.100 3.463 3.283 3.591 2.617 8 20 [*******+*****-******] 1
145 1 11 THR H 1 47 VAL QG 6.000 5.900 6.100 4.118 3.724 4.504 2.176 5 20 [****+************-**] 1
146 1 47 VAL QG 1 48 CYS H 6.000 5.900 6.100 2.611 2.477 2.820 3.423 9 20 [********+****-******] 1
147 1 39 PHE H 1 47 VAL QG 6.000 5.900 6.100 3.780 3.350 4.084 2.550 6 20 [*****+**-***********] 1
148 1 39 PHE H 1 49 ALA MB 6.000 5.900 6.100 3.234 2.980 3.481 2.920 1 20 [+***-***************] 1
149 1 28 ALA MB 1 35 ASN H 6.000 5.900 6.100 3.619 2.707 4.706 3.193 20 20 [******************-+] 1
150 1 20 ILE MG 1 21 VAL H 6.000 5.900 6.100 2.856 2.687 3.035 3.213 14 20 [*********-***+******] 1
151 1 20 ILE MG 1 40 HIS H 6.000 5.900 6.100 3.470 2.882 4.402 3.018 14 20 [*************+*****-] 1
152 1 20 ILE QG 1 40 HIS H 6.000 5.900 6.100 3.756 3.240 4.354 2.660 1 20 [+************-******] 1
153 1 20 ILE QG 1 21 VAL H 6.000 5.900 6.100 3.919 3.376 4.540 2.524 1 20 [+*****************-*] 1
154 1 21 VAL QG 1 42 LYS H 6.000 5.900 6.100 2.936 2.698 3.644 3.202 9 20 [********+**********-] 1
155 1 34 ILE MG 1 35 ASN H 6.000 5.900 6.100 3.932 3.502 4.306 2.398 15 20 [********-*****+*****] 1
156 1 15 LEU QD 1 47 VAL H 6.000 5.900 6.100 5.445 4.716 5.751 1.184 6 7 "[ *+ *1 - .** *]" 1
157 1 15 LEU QD 1 48 CYS H 6.000 5.900 6.100 4.783 3.963 5.261 1.937 4 20 [***+*********-******] 1
158 1 38 ILE QG 1 39 PHE H 6.000 5.900 6.100 4.488 4.215 4.876 1.685 11 20 [**********+***-*****] 1
159 1 24 THR H 1 38 ILE QG 6.000 5.900 6.100 4.619 4.241 5.104 1.659 8 20 [*****-*+************] 1
160 1 24 THR H 1 38 ILE MG 6.000 5.900 6.100 3.033 2.907 3.155 2.993 19 20 [*-****************+*] 1
161 1 38 ILE MG 1 48 CYS H 6.000 5.900 6.100 5.048 4.376 5.382 1.524 19 20 [***-**************+*] 1
162 1 38 ILE MG 1 47 VAL H 6.000 5.900 6.100 3.477 3.018 3.808 2.882 11 20 [**********+****-****] 1
163 1 8 LEU H 1 34 ILE MD 6.000 5.900 6.100 4.480 3.274 5.044 2.626 15 20 [***********-**+*****] 1
164 1 34 ILE MD 1 35 ASN H 6.000 5.900 6.100 3.807 3.039 5.128 2.861 9 20 [********+**********-] 1
165 1 20 ILE MD 1 21 VAL H 6.000 5.900 6.100 4.407 3.211 5.320 2.689 14 20 [*********-***+******] 1
166 1 20 ILE MD 1 40 HIS H 6.000 5.900 6.100 4.725 3.071 5.305 2.829 19 20 [**-***************+*] 1
167 1 26 GLN H 1 37 ILE MD 6.000 5.900 6.100 3.368 2.743 3.887 3.157 1 20 [+****-**************] 1
168 1 54 THR H 1 56 VAL QG 6.000 5.900 6.100 5.031 3.769 5.425 2.131 13 19 "[****** *-***+*******]" 1
169 1 37 ILE MG 1 38 ILE H 6.000 5.900 6.100 3.135 2.606 3.445 3.294 7 20 [******+***-*********] 1
170 1 26 GLN H 1 37 ILE MG 6.000 5.900 6.100 4.640 4.195 5.055 1.705 14 20 [*****-*******+******] 1
171 1 50 ASN H 1 56 VAL QG 6.000 5.900 6.100 2.606 2.367 3.023 3.533 14 20 [************-+******] 1
172 1 37 ILE MG 1 60 VAL H 6.000 5.900 6.100 4.502 4.230 4.778 1.670 8 20 [******-+************] 1
173 1 14 ILE MG 1 16 HIS HE1 6.000 5.900 6.100 3.712 3.465 3.935 2.435 19 20 [*****************-+*] 1
174 1 14 ILE MG 1 16 HIS H 6.000 5.900 6.100 5.049 4.880 5.203 1.020 16 20 [***************+**-*] 1
175 1 10 TYR H 1 34 ILE MD 6.000 5.900 6.100 5.210 3.955 5.685 1.945 2 11 "[*+* * **1- ** * *]" 1
176 1 16 HIS H 1 20 ILE MD 6.000 5.900 6.100 3.264 2.804 4.206 3.096 13 20 [************+-******] 1
177 1 14 ILE MD 1 16 HIS HE1 6.000 5.900 6.100 6.166 6.094 6.229 0.129 1 0 "[ . 1 . 2]" 1
178 1 38 ILE MG 1 40 HIS HE1 6.000 5.900 6.100 3.048 2.770 3.503 3.130 11 20 [*******-**+*********] 1
179 1 38 ILE MG 1 46 SER H 6.000 5.900 6.100 4.833 4.588 5.212 1.312 19 20 [***************-**+*] 1
180 1 33 ASP H 1 34 ILE MG 6.000 5.900 6.100 3.544 3.074 4.094 2.826 9 20 [********+*****-*****] 1
181 1 59 ILE MG 1 60 VAL H 6.000 5.900 6.100 3.214 3.088 3.363 2.812 13 20 [***-********+*******] 1
182 1 15 LEU QD 1 16 HIS H 6.000 5.900 6.100 3.329 3.177 3.580 2.723 16 20 [********-******+****] 1
183 1 27 LEU QD 1 28 ALA H 6.000 5.900 6.100 3.397 2.281 3.914 3.619 8 20 [*******+******-*****] 1
184 1 67 VAL QG 1 68 LYS H 6.000 5.900 6.100 3.132 2.466 3.722 3.434 1 20 [+**************-****] 1
185 1 67 VAL QG 1 69 ASN H 6.000 5.900 6.100 3.890 2.768 5.727 3.132 6 19 "[*****+-*********** *]" 1
186 1 38 ILE MD 1 40 HIS HE1 6.000 5.900 6.100 4.599 3.629 6.039 2.271 17 13 "[ * * * -*****.*+**2]" 1
187 1 45 LEU QD 1 46 SER H 6.000 5.900 6.100 3.461 3.273 3.645 2.627 8 20 [*******+***********-] 1
188 1 28 ALA MB 1 29 ASN H 6.000 5.900 6.100 3.357 2.233 3.713 3.667 5 20 [****+**************-] 1
189 1 14 ILE HB 1 16 HIS HE1 6.000 5.900 6.100 5.532 4.791 6.026 1.109 16 6 "[* . * * * .+ -2]" 1
190 1 24 THR MG 1 40 HIS HE1 6.000 5.900 6.100 4.232 4.060 4.405 1.840 16 20 [******-********+****] 1
191 1 49 ALA MB 1 50 ASN H 6.000 5.900 6.100 2.792 2.608 2.924 3.292 9 20 [********+-**********] 1
192 1 36 ALA MB 1 37 ILE H 6.000 5.900 6.100 2.839 2.144 3.200 3.756 7 20 [*-****+*************] 1
193 1 15 LEU QB 1 16 HIS H 6.000 5.900 6.100 2.368 2.115 2.592 3.785 8 20 [*******+****-*******] 1
194 1 1 ALA MB 1 2 SER H 6.000 5.900 6.100 2.562 1.859 3.575 4.041 19 20 [**-***************+*] 1
195 1 45 LEU QB 1 46 SER H 6.000 5.900 6.100 3.074 2.228 3.360 3.672 8 20 [*******+***********-] 1
196 1 37 ILE H 1 51 PRO QG 6.000 5.900 6.100 3.212 2.132 4.400 3.768 13 20 [******-*****+*******] 1
197 1 18 LYS H 1 18 LYS QD 6.000 5.900 6.100 3.911 3.650 4.417 2.250 19 20 [***************-**+*] 1
198 1 45 LEU HG 1 46 SER H 6.000 5.900 6.100 5.094 4.810 5.200 1.090 8 20 [*******+**********-*] 1
199 1 11 THR MG 1 50 ASN H 6.000 5.900 6.100 3.188 2.498 4.057 3.402 11 20 [**********+****-****] 1
200 1 38 ILE HB 1 40 HIS HE1 6.000 5.900 6.100 4.533 4.095 5.074 1.805 17 20 [***-************+***] 1
201 1 25 ARG QB 1 37 ILE H 6.000 5.900 6.100 5.806 5.397 5.984 0.503 15 1 "[ . 1 + 2]" 1
202 1 53 GLN QB 1 55 TRP H 6.000 5.900 6.100 2.952 2.642 3.107 3.258 16 20 [***************+***-] 1
203 1 68 LYS QB 1 69 ASN H 6.000 5.900 6.100 3.559 2.359 4.020 3.541 20 20 [-******************+] 1
204 1 30 GLU QB 1 31 GLY H 6.000 5.900 6.100 3.687 2.538 4.032 3.362 3 20 [**+**********-******] 1
205 1 27 LEU QB 1 31 GLY H 6.000 5.900 6.100 5.260 4.413 6.111 1.487 4 12 "[***+-* 1***** * 2]" 1
206 1 60 VAL H 1 62 LEU QB 6.000 5.900 6.100 2.716 2.367 3.415 3.533 8 20 [***-***+************] 1
207 1 15 LEU HG 1 16 HIS H 6.000 5.900 6.100 4.510 4.280 4.688 1.620 8 20 [*******+*******-****] 1
208 1 27 LEU QB 1 28 ALA H 6.000 5.900 6.100 2.474 1.934 2.898 3.966 13 20 [************+***-***] 1
209 1 62 LEU HG 1 63 LEU H 6.000 5.900 6.100 4.486 3.860 5.280 2.040 8 20 [*******+********-***] 1
210 1 27 LEU QB 1 29 ASN H 6.000 5.900 6.100 2.524 2.070 3.256 3.830 4 20 [***+************-***] 1
211 1 29 ASN H 1 30 GLU QB 6.000 5.900 6.100 4.429 3.865 5.248 2.035 13 20 [************+-******] 1
212 1 53 GLN QG 1 55 TRP H 6.000 5.900 6.100 4.533 4.069 5.174 1.831 15 20 [**************+****-] 1
213 1 67 VAL HB 1 68 LYS H 6.000 5.900 6.100 3.649 1.993 4.394 3.907 5 20 [****+-**************] 1
214 1 59 ILE QG 1 60 VAL H 6.000 5.900 6.100 3.998 3.693 4.094 2.207 16 20 [-**************+****] 1
215 1 30 GLU QG 1 31 GLY H 6.000 5.900 6.100 4.143 2.404 4.741 3.496 15 20 [**************+-****] 1
216 1 29 ASN H 1 30 GLU QG 6.000 5.900 6.100 3.728 2.848 4.568 3.052 12 20 [***********+*****-**] 1
217 1 32 CYS QB 1 33 ASP H 6.000 5.900 6.100 2.966 2.147 3.585 3.753 5 20 [****+***********-***] 1
218 1 31 GLY H 1 32 CYS QB 6.000 5.900 6.100 4.620 3.477 5.295 2.423 15 20 [******-*******+*****] 1
219 1 28 ALA H 1 35 ASN QB 6.000 5.900 6.100 2.536 1.980 4.087 3.920 8 20 [****-**+************] 1
220 1 16 HIS QB 1 18 LYS H 6.000 5.900 6.100 1.975 1.847 2.056 4.053 19 20 [***********-******+*] 1
221 1 4 PHE QB 1 5 ASP H 6.000 5.900 6.100 2.135 1.833 3.465 4.067 4 20 [***+****-***********] 1
222 1 4 PHE QB 1 5 ASP H 6.000 5.900 6.100 2.160 1.833 3.501 4.067 4 20 [***+****-***********] 1
223 1 29 ASN QB 1 31 GLY H 6.000 5.900 6.100 4.725 4.009 5.183 1.891 14 20 [*************+***-**] 1
224 1 9 GLY QA 1 10 TYR H 6.000 5.900 6.100 2.174 2.088 2.279 3.812 5 20 [*-**+***************] 1
225 1 10 TYR QB 1 50 ASN H 6.000 5.900 6.100 3.757 3.281 4.080 2.619 16 20 [*******-*******+****] 1
226 1 59 ILE HA 1 60 VAL H 6.000 5.900 6.100 3.385 3.323 3.484 2.577 8 20 [***-***+************] 1
227 1 57 LYS HA 1 60 VAL H 6.000 5.900 6.100 3.730 3.563 3.913 2.337 18 20 [****************-+**] 1
228 1 54 THR HB 1 55 TRP H 6.000 5.900 6.100 3.567 3.412 3.768 2.488 3 20 [**+***********-*****] 1
229 1 48 CYS QB 1 50 ASN H 6.000 5.900 6.100 4.126 4.057 4.253 1.843 4 20 [***+****-***********] 1
230 1 2 SER QB 1 3 ASN H 6.000 5.900 6.100 3.317 1.969 3.796 3.931 9 20 [***-****+***********] 1
231 1 17 PRO QD 1 18 LYS H 6.000 5.900 6.100 2.690 2.556 2.903 3.344 19 20 [********-*********+*] 1
232 1 18 LYS H 1 19 PHE QB 6.000 5.900 6.100 5.077 4.793 5.329 1.107 16 20 [**************-+****] 1
233 1 16 HIS HE1 1 17 PRO HD2 6.000 5.900 6.100 6.127 6.062 6.178 0.078 5 0 "[ . 1 . 2]" 1
234 1 28 ALA HA 1 29 ASN H 6.000 5.900 6.100 2.960 2.464 3.193 3.436 17 20 [****************+*-*] 1
235 1 62 LEU HA 1 63 LEU H 6.000 5.900 6.100 3.477 3.216 3.542 2.684 4 20 [***+****-***********] 1
236 1 63 LEU H 1 64 SER QB 6.000 5.900 6.100 4.572 3.829 5.054 2.071 4 20 [***+*****-**********] 1
237 1 50 ASN H 1 51 PRO QD 6.000 5.900 6.100 4.245 4.162 4.391 1.738 13 20 [******-*****+*******] 1
238 1 24 THR HB 1 40 HIS HE1 6.000 5.900 6.100 3.867 3.485 4.162 2.415 16 20 [******-********+****] 1
239 1 17 PRO HA 1 18 LYS H 6.000 5.900 6.100 3.447 3.396 3.511 2.504 19 20 [******************+-] 1
240 1 67 VAL HA 1 68 LYS H 6.000 5.900 6.100 2.530 2.115 3.369 3.785 12 20 [***********+-*******] 1
241 1 58 TYR HA 1 60 VAL H 6.000 5.900 6.100 4.755 4.602 4.982 1.298 1 20 [+**************-****] 1
242 1 24 THR HA 1 40 HIS HE1 6.000 5.900 6.100 6.120 6.079 6.160 0.060 14 0 "[ . 1 . 2]" 1
243 1 54 THR HA 1 55 TRP H 6.000 5.900 6.100 2.473 2.086 3.164 3.814 13 20 [************+******-] 1
244 1 2 SER HA 1 3 ASN H 6.000 5.900 6.100 2.220 2.123 2.762 3.777 6 20 [*****+**-***********] 1
245 1 15 LEU HA 1 16 HIS H 6.000 5.900 6.100 2.448 2.315 2.537 3.585 13 20 [*******-****+*******] 1
246 1 4 PHE HA 1 5 ASP H 6.000 5.900 6.100 2.619 2.371 3.507 3.529 19 20 [********-*********+*] 1
247 1 63 LEU H 1 64 SER HA 6.000 5.900 6.100 5.135 4.534 5.381 1.366 18 20 [********-********+**] 1
248 1 30 GLU HA 1 31 GLY H 6.000 5.900 6.100 2.978 2.223 3.556 3.677 4 20 [**-+****************] 1
249 1 29 ASN HA 1 31 GLY H 6.000 5.900 6.100 4.040 3.264 5.026 2.636 5 20 [***-+***************] 1
250 1 55 TRP HA 1 58 TYR H 6.000 5.900 6.100 3.431 3.294 3.548 2.606 15 20 [**************+*-***] 1
251 1 11 THR HA 1 13 ARG H 6.000 5.900 6.100 4.722 4.138 5.619 1.762 14 19 "[******* *****+*****-]" 1
252 1 3 ASN HA 1 4 PHE H 6.000 5.900 6.100 3.526 3.472 3.576 2.428 4 20 [***+****-***********] 1
253 1 28 ALA H 1 33 ASP HA 6.000 5.900 6.100 5.804 5.277 6.144 0.623 15 3 "[ . -1 + *]" 1
254 1 64 SER HA 1 66 LYS H 6.000 5.900 6.100 4.453 3.232 5.402 2.668 11 19 "[*****- ***+*********]" 1
255 1 28 ALA H 1 34 ILE HA 6.000 5.900 6.100 5.378 4.718 5.920 1.182 3 11 "[**+ ** -* *** *2]" 1
256 1 16 HIS HA 1 16 HIS HE1 6.000 5.900 6.100 5.855 5.732 5.984 0.168 16 0 "[ . 1 . 2]" 1
257 1 10 TYR HA 1 50 ASN H 6.000 5.900 6.100 5.699 5.032 5.994 0.868 18 1 "[ . 1 . + 2]" 1
258 1 49 ALA HA 1 50 ASN H 6.000 5.900 6.100 2.209 2.155 2.283 3.745 10 20 [********-+**********] 1
259 1 32 CYS HA 1 33 ASP H 6.000 5.900 6.100 2.467 2.184 2.939 3.716 17 20 [****-***********+***] 1
260 1 27 LEU HA 1 28 ALA H 6.000 5.900 6.100 2.324 2.185 2.558 3.715 20 20 [************-******+] 1
261 1 12 ASP HA 1 13 ARG H 6.000 5.900 6.100 2.588 2.247 3.186 3.653 8 20 [*******+*****-******] 1
262 1 28 ALA H 1 35 ASN HA 6.000 5.900 6.100 3.960 3.446 4.299 2.454 5 20 [****+******-********] 1
263 1 6 CYS H 1 32 CYS HA 6.000 5.900 6.100 4.106 2.779 5.310 3.121 15 20 [*************-+*****] 1
264 1 6 CYS H 1 35 ASN HA 6.000 5.900 6.100 5.973 5.322 6.111 0.578 15 1 "[ . 1 + 2]" 1
265 1 15 LEU H 1 16 HIS H 6.000 5.900 6.100 4.571 4.526 4.621 1.374 8 20 [*******+*******-****] 1
266 1 40 HIS HE1 1 46 SER HA 6.000 5.900 6.100 5.569 5.126 6.046 0.774 10 5 "[ . -+* * . *2]" 1
267 1 55 TRP H 1 56 VAL H 6.000 5.900 6.100 2.577 2.498 2.668 3.402 10 20 [*********+**-*******] 1
268 1 56 VAL H 1 58 TYR H 6.000 5.900 6.100 3.924 3.799 4.056 2.101 18 20 [**************-**+**] 1
269 1 58 TYR H 1 58 TYR QE 6.000 5.900 6.100 6.101 6.057 6.150 0.050 13 0 "[ . 1 . 2]" 1
270 1 50 ASN H 1 53 GLN QE 6.000 5.900 6.100 1.913 1.726 2.333 4.174 5 20 [****+*******-*******] 1
271 1 4 PHE QD 1 5 ASP H 6.000 5.900 6.100 3.037 2.295 3.673 3.605 14 20 [*************+****-*] 1
272 1 28 ALA H 1 35 ASN QD 6.000 5.900 6.100 3.405 2.134 3.949 3.766 5 20 [****+-**************] 1
273 1 16 HIS H 1 16 HIS HD2 6.000 5.900 6.100 3.825 3.421 4.046 2.479 9 20 [********+*********-*] 1
274 1 9 GLY H 1 10 TYR H 6.000 5.900 6.100 4.189 3.590 4.423 2.310 2 20 [*+**************-***] 1
275 1 33 ASP H 1 34 ILE H 6.000 5.900 6.100 2.183 1.836 2.539 4.064 5 20 [****+****-**********] 1
276 1 55 TRP H 1 55 TRP HE3 6.000 5.900 6.100 5.123 4.955 5.179 0.945 13 20 [************+-******] 1
277 1 40 HIS H 1 40 HIS HD2 6.000 5.900 6.100 2.184 2.041 2.469 3.859 3 20 [**+*****-***********] 1
278 1 39 PHE QD 1 40 HIS H 6.000 5.900 6.100 3.622 3.335 3.802 2.565 9 20 [********+*********-*] 1
279 1 45 LEU H 1 46 SER H 6.000 5.900 6.100 4.439 4.349 4.518 1.551 15 20 [**************+**-**] 1
280 1 18 LYS H 1 19 PHE QD 6.000 5.900 6.100 4.362 3.774 5.064 2.126 11 20 [**********+****-****] 1
281 1 26 GLN H 1 26 GLN QE 6.000 5.900 6.100 4.219 3.266 5.126 2.634 17 20 [*************-**+***] 1
282 1 22 GLY H 1 40 HIS H 6.000 5.900 6.100 3.270 3.142 3.395 2.758 6 20 [*****+**********-***] 1
283 1 42 LYS H 1 43 LYS H 6.000 5.900 6.100 2.592 2.468 2.706 3.432 15 20 [**************+****-] 1
284 1 21 VAL H 1 22 GLY H 6.000 5.900 6.100 1.920 1.816 2.026 4.084 9 20 [********+-**********] 1
285 1 42 LYS H 1 44 LYS H 6.000 5.900 6.100 4.226 4.022 4.529 1.878 11 20 [*******-**+*********] 1
286 1 18 LYS H 1 20 ILE H 6.000 5.900 6.100 4.032 3.865 4.187 2.035 16 20 [*******-*******+****] 1
287 1 18 LYS H 1 19 PHE H 6.000 5.900 6.100 2.846 2.626 2.945 3.274 16 20 [****-**********+****] 1
288 1 55 TRP H 1 55 TRP HD1 6.000 5.900 6.100 2.516 2.422 2.678 3.478 15 20 [*****-********+*****] 1
289 1 59 ILE H 1 60 VAL H 6.000 5.900 6.100 2.733 2.676 2.826 3.224 18 20 [****************-+**] 1
290 1 55 TRP H 1 57 LYS H 6.000 5.900 6.100 4.084 3.909 4.244 1.991 15 20 [************-*+*****] 1
291 1 63 LEU H 1 65 LYS H 6.000 5.900 6.100 4.308 3.742 5.094 2.158 12 20 [***********+*-******] 1
292 1 60 VAL H 1 62 LEU H 6.000 5.900 6.100 2.461 2.286 2.644 3.614 15 20 [********-*****+*****] 1
293 1 30 GLU H 1 31 GLY H 6.000 5.900 6.100 2.426 1.779 2.965 4.121 15 20 [***-**********+*****] 1
294 1 60 VAL H 1 61 ARG H 6.000 5.900 6.100 2.272 1.879 2.388 4.021 4 20 [***+****-***********] 1
295 1 29 ASN H 1 30 GLU H 6.000 5.900 6.100 2.224 1.706 2.881 4.194 9 20 [****-***+***********] 1
296 1 5 ASP H 1 6 CYS H 6.000 5.900 6.100 3.119 1.884 3.805 4.016 9 20 [********+*-*********] 1
297 1 6 CYS H 1 33 ASP H 6.000 5.900 6.100 5.073 3.323 6.086 2.577 15 12 "[*** ** -** + * **]" 1
298 1 69 ASN H 1 70 MET H 6.000 5.900 6.100 3.309 2.024 4.515 3.876 7 20 [******+-************] 1
299 1 3 ASN H 1 4 PHE H 6.000 5.900 6.100 2.637 2.314 2.904 3.586 16 20 [********-******+****] 1
300 1 2 SER H 1 3 ASN H 6.000 5.900 6.100 4.309 4.058 4.585 1.842 4 20 [***+***-************] 1
301 1 23 PHE H 1 24 THR H 6.000 5.900 6.100 3.186 3.066 3.359 2.834 17 20 [***************-+***] 1
302 1 23 PHE H 1 40 HIS H 6.000 5.900 6.100 4.252 4.087 4.584 1.813 10 20 [*********+*****-****] 1
303 1 24 THR H 1 40 HIS H 6.000 5.900 6.100 3.912 3.828 4.041 2.072 3 20 [**+**********-******] 1
304 1 28 ALA H 1 35 ASN H 6.000 5.900 6.100 5.160 4.334 5.681 1.566 20 16 "[-***** **** ***** +]" 1
305 1 6 CYS H 1 36 ALA H 6.000 5.900 6.100 6.152 6.017 6.320 0.220 14 0 "[ . 1 . 2]" 1
306 1 12 ASP H 1 13 ARG H 6.000 5.900 6.100 3.009 1.804 3.577 4.096 14 20 [*************+-*****] 1
307 1 55 TRP H 1 58 TYR H 6.000 5.900 6.100 4.641 4.554 4.812 1.346 18 20 [***************-*+**] 1
308 1 64 SER H 1 66 LYS H 6.000 5.900 6.100 4.719 3.595 6.019 2.305 20 14 "[* *** **** *-** * +]" 1
309 1 43 LYS H 1 44 LYS H 6.000 5.900 6.100 2.403 2.263 2.583 3.637 11 20 [**********+****-****] 1
310 1 64 SER H 1 65 LYS H 6.000 5.900 6.100 2.690 2.264 3.489 3.636 15 20 [*****-********+*****] 1
311 1 59 ILE H 1 61 ARG H 6.000 5.900 6.100 4.067 3.917 4.285 1.983 15 20 [****-*********+*****] 1
312 1 13 ARG H 1 55 TRP HZ2 6.000 5.900 6.100 2.376 2.271 2.435 3.629 9 20 [****-***+***********] 1
313 1 65 LYS H 1 66 LYS H 6.000 5.900 6.100 3.092 1.928 4.260 3.972 3 20 [**+***-*************] 1
314 1 13 ARG H 1 14 ILE H 6.000 5.900 6.100 4.436 4.367 4.559 1.533 19 20 [****-*************+*] 1
315 1 6 CYS H 1 34 ILE H 6.000 5.900 6.100 5.206 4.114 6.015 1.786 15 14 "[*** ** * *** +-* **]" 1
316 1 44 LYS H 1 45 LEU H 6.000 5.900 6.100 2.638 2.524 2.988 3.376 13 20 [************+****-**] 1
317 1 6 CYS H 1 26 GLN QE 6.000 5.900 6.100 4.297 3.430 4.816 2.470 12 20 [**********-+********] 1
318 1 43 LYS H 1 45 LEU H 6.000 5.900 6.100 3.196 2.957 3.567 2.943 10 20 [*********+******-***] 1
319 1 22 GLY H 1 40 HIS HD2 6.000 5.900 6.100 4.474 4.291 4.762 1.609 20 20 [*******-***********+] 1
320 1 23 PHE QD 1 64 SER H 6.000 5.900 6.100 5.539 4.781 5.979 1.119 16 7 "[ ** * -1 * .+* 2]" 1
321 1 22 GLY H 1 23 PHE HA 6.000 5.900 6.100 4.829 4.722 4.921 1.178 16 20 [***************+*-**] 1
322 1 22 GLY H 1 40 HIS HA 6.000 5.900 6.100 4.916 4.738 5.030 1.162 4 20 [***+***************-] 1
323 1 22 GLY H 1 41 THR HA 6.000 5.900 6.100 4.362 4.159 4.597 1.741 3 20 [**+***-*************] 1
324 1 20 ILE H 1 41 THR HA 6.000 5.900 6.100 3.518 3.451 3.613 2.449 14 20 [*********-***+******] 1
325 1 22 GLY H 1 39 PHE HA 6.000 5.900 6.100 4.833 4.719 5.016 1.181 12 20 [***********+******-*] 1
326 1 69 ASN HA 1 70 MET H 6.000 5.900 6.100 2.918 2.095 3.583 3.805 19 20 [**************-***+*] 1
327 1 5 ASP HA 1 6 CYS H 6.000 5.900 6.100 2.350 2.008 3.443 3.892 11 20 [********-*+*********] 1
328 1 4 PHE HA 1 6 CYS H 6.000 5.900 6.100 5.805 5.363 6.012 0.537 9 1 "[ . +1 . 2]" 1
329 1 29 ASN HA 1 30 GLU H 6.000 5.900 6.100 3.420 3.105 3.580 2.795 5 20 [****+***********-***] 1
330 1 32 CYS H 1 33 ASP HA 6.000 5.900 6.100 5.271 4.407 5.586 1.493 15 10 "[ * ** *- * *+ **2]" 1
331 1 19 PHE HA 1 20 ILE H 6.000 5.900 6.100 3.269 3.140 3.374 2.760 14 20 [**-**********+******] 1
332 1 41 THR HB 1 43 LYS H 6.000 5.900 6.100 2.153 2.033 2.321 3.867 9 20 [********+-**********] 1
333 1 64 SER HA 1 65 LYS H 6.000 5.900 6.100 3.279 2.448 3.593 3.452 14 20 [*************+*****-] 1
334 1 21 VAL HA 1 22 GLY H 6.000 5.900 6.100 3.318 3.242 3.400 2.658 8 20 [*******+*******-****] 1
335 1 34 ILE HA 1 35 ASN QD 6.000 5.900 6.100 3.692 3.033 5.420 2.867 13 19 [****.******-+*******] 1
336 1 43 LYS HA 1 44 LYS H 6.000 5.900 6.100 3.164 3.045 3.240 2.855 8 20 [*******+****-*******] 1
337 1 66 LYS HA 1 67 VAL H 6.000 5.900 6.100 2.749 2.112 3.537 3.788 2 20 [*+*************-****] 1
338 1 63 LEU HA 1 64 SER H 6.000 5.900 6.100 3.457 3.218 3.558 2.682 18 20 [***************-*+**] 1
339 1 31 GLY QA 1 32 CYS H 6.000 5.900 6.100 2.504 2.157 2.905 3.743 16 20 [****-**********+****] 1
340 1 15 LEU HA 1 19 PHE H 6.000 5.900 6.100 3.260 3.183 3.380 2.717 10 20 [*********+*****-****] 1
341 1 63 LEU HA 1 66 LYS H 6.000 5.900 6.100 2.615 2.089 3.086 3.811 6 20 [*****+****-*********] 1
342 1 63 LEU HA 1 67 VAL H 6.000 5.900 6.100 3.861 2.956 4.735 2.944 14 20 [***-*********+******] 1
343 1 13 ARG HA 1 14 ILE H 6.000 5.900 6.100 2.477 2.357 2.579 3.543 5 20 [****+*************-*] 1
344 1 58 TYR HA 1 62 LEU H 6.000 5.900 6.100 4.510 4.255 4.647 1.645 8 20 [*******+******-*****] 1
345 1 58 TYR HA 1 61 ARG H 6.000 5.900 6.100 3.788 3.555 3.943 2.345 15 20 [******-*******+*****] 1
346 1 42 LYS HA 1 44 LYS H 6.000 5.900 6.100 3.287 2.974 3.543 2.926 15 20 [**************+****-] 1
347 1 64 SER QB 1 66 LYS H 6.000 5.900 6.100 4.834 3.853 5.625 2.047 19 18 "[*-********* **** *+*]" 1
348 1 62 LEU HA 1 66 LYS H 6.000 5.900 6.100 5.339 3.355 6.088 2.545 20 9 "[ *** *** .* - +]" 1
349 1 28 ALA HA 1 30 GLU H 6.000 5.900 6.100 3.458 2.222 4.301 3.678 15 20 [**************+-****] 1
350 1 61 ARG HA 1 64 SER H 6.000 5.900 6.100 3.592 3.393 3.870 2.507 4 20 [***+**********-*****] 1
351 1 62 LEU HA 1 64 SER H 6.000 5.900 6.100 4.255 3.643 4.810 2.257 20 20 [***************-***+] 1
352 1 2 SER QB 1 4 PHE H 6.000 5.900 6.100 3.629 3.293 4.055 2.607 8 20 [***-***+************] 1
353 1 18 LYS HA 1 19 PHE H 6.000 5.900 6.100 3.502 3.391 3.539 2.509 16 20 [*******-*******+****] 1
354 1 18 LYS HA 1 20 ILE H 6.000 5.900 6.100 3.195 3.121 3.292 2.779 5 20 [****+***********-***] 1
355 1 64 SER QB 1 65 LYS H 6.000 5.900 6.100 3.183 2.121 3.999 3.779 4 20 [***+*-**************] 1
356 1 43 LYS H 1 44 LYS HA 6.000 5.900 6.100 4.582 4.432 4.818 1.468 10 20 [*********+*****-****] 1
357 1 62 LEU HA 1 65 LYS H 6.000 5.900 6.100 4.033 3.227 5.223 2.673 1 20 [+****************-**] 1
358 1 17 PRO HA 1 19 PHE H 6.000 5.900 6.100 3.582 3.296 3.740 2.604 19 20 [*******-**********+*] 1
359 1 61 ARG HA 1 62 LEU H 6.000 5.900 6.100 3.515 3.451 3.555 2.449 18 20 [***************-*+**] 1
360 1 57 LYS HA 1 58 TYR H 6.000 5.900 6.100 3.510 3.461 3.533 2.439 9 20 [-*******+***********] 1
361 1 58 TYR H 1 59 ILE HA 6.000 5.900 6.100 5.294 5.204 5.339 0.696 9 20 [-*******+***********] 1
362 1 6 CYS H 1 32 CYS QB 6.000 5.900 6.100 2.168 1.720 3.140 4.180 5 20 [****+***-***********] 1
363 1 59 ILE HA 1 61 ARG H 6.000 5.900 6.100 4.286 4.094 4.506 1.806 6 20 [****-+**************] 1
364 1 57 LYS HA 1 61 ARG H 6.000 5.900 6.100 3.889 3.653 4.172 2.247 11 20 [-*********+*********] 1
365 1 19 PHE QB 1 20 ILE H 6.000 5.900 6.100 3.428 3.223 3.633 2.677 3 20 [**+**********-******] 1
366 1 59 ILE HA 1 62 LEU H 6.000 5.900 6.100 3.486 3.261 3.655 2.639 18 20 [*****************+*-] 1
367 1 22 GLY H 1 40 HIS QB 6.000 5.900 6.100 2.895 2.617 3.064 3.283 4 20 [***+**********-*****] 1
368 1 16 HIS QB 1 19 PHE H 6.000 5.900 6.100 3.120 2.790 3.507 3.110 16 20 [********-******+****] 1
369 1 61 ARG H 1 61 ARG QD 6.000 5.900 6.100 4.575 4.137 4.916 1.763 1 20 [+***************-***] 1
370 1 61 ARG QD 1 62 LEU H 6.000 5.900 6.100 4.684 3.170 5.440 2.730 8 18 "[****.**+***** -*****]" 1
371 1 4 PHE QB 1 6 CYS H 6.000 5.900 6.100 4.578 4.381 5.058 1.519 18 20 [********-********+**] 1
372 1 13 ARG H 1 13 ARG QD 6.000 5.900 6.100 4.261 2.730 4.991 3.170 17 20 [****************+-**] 1
373 1 29 ASN QB 1 30 GLU H 6.000 5.900 6.100 2.979 1.950 4.005 3.950 14 20 [****-********+******] 1
374 1 60 VAL HA 1 64 SER H 6.000 5.900 6.100 3.842 3.405 4.280 2.495 12 20 [**-********+********] 1
375 1 16 HIS QB 1 19 PHE H 6.000 5.900 6.100 2.980 2.735 3.261 3.165 16 20 [********-******+****] 1
376 1 12 ASP QB 1 13 ARG H 6.000 5.900 6.100 3.632 3.517 3.700 2.383 9 20 [********+**********-] 1
377 1 12 ASP QB 1 13 ARG H 6.000 5.900 6.100 3.968 3.852 4.047 2.048 19 20 [******************+-] 1
378 1 60 VAL HA 1 61 ARG H 6.000 5.900 6.100 3.512 3.463 3.549 2.437 15 20 [****-*********+*****] 1
379 1 60 VAL HA 1 62 LEU H 6.000 5.900 6.100 4.187 3.830 4.435 2.070 18 20 [*****************+*-] 1
380 1 3 ASN QB 1 4 PHE H 6.000 5.900 6.100 2.308 1.940 2.577 3.960 11 20 [***-******+*********] 1
381 1 5 ASP QB 1 6 CYS H 6.000 5.900 6.100 2.013 1.690 2.601 4.210 4 20 [***+********-*******] 1
382 1 5 ASP QB 1 32 CYS H 6.000 5.900 6.100 5.425 4.115 5.944 1.785 14 4 "[ *. - 1 +. * 2]" 1
383 1 58 TYR H 1 59 ILE QG 6.000 5.900 6.100 4.249 3.930 4.386 1.970 16 20 [-**************+****] 1
384 1 6 CYS H 1 26 GLN QG 6.000 5.900 6.100 3.756 3.058 4.417 2.842 9 20 [-*******+***********] 1
385 1 21 VAL HB 1 22 GLY H 6.000 5.900 6.100 4.199 4.067 4.281 1.833 18 20 [*****-***********+**] 1
386 1 61 ARG QB 1 62 LEU H 6.000 5.900 6.100 2.612 2.417 2.791 3.483 20 20 [*************-*****+] 1
387 1 63 LEU QB 1 64 SER H 6.000 5.900 6.100 2.883 2.448 3.458 3.452 16 20 [***************+*-**] 1
388 1 60 VAL HB 1 61 ARG H 6.000 5.900 6.100 4.085 4.004 4.214 1.896 11 20 [**********+****-****] 1
389 1 18 LYS QB 1 19 PHE H 6.000 5.900 6.100 2.858 2.694 3.647 3.206 8 20 [*******+*******-****] 1
390 1 13 ARG QB 1 14 ILE H 6.000 5.900 6.100 2.106 1.841 2.525 4.059 19 20 [**********-*******+*] 1
391 1 65 LYS H 1 65 LYS QD 6.000 5.900 6.100 3.915 2.298 4.980 3.602 4 20 [***+*******-********] 1
392 1 18 LYS QD 1 19 PHE H 6.000 5.900 6.100 3.968 3.176 4.488 2.724 14 20 [***********-*+******] 1
393 1 6 CYS H 1 26 GLN QB 6.000 5.900 6.100 4.678 3.560 5.653 2.340 12 16 "[*-***** *1*+ ******]" 1
394 1 66 LYS QB 1 67 VAL H 6.000 5.900 6.100 3.475 2.267 4.005 3.633 16 20 [****-**********+****] 1
395 1 58 TYR H 1 59 ILE HB 6.000 5.900 6.100 4.986 4.857 5.108 1.043 9 20 [******-*+***********] 1
396 1 65 LYS QB 1 66 LYS H 6.000 5.900 6.100 3.450 3.085 3.811 2.815 10 20 [****-****+**********] 1
397 1 57 LYS QB 1 58 TYR H 6.000 5.900 6.100 2.693 2.564 2.900 3.336 1 20 [+*******-***********] 1
398 1 43 LYS QB 1 44 LYS H 6.000 5.900 6.100 3.402 3.270 3.554 2.630 11 20 [*******-**+*********] 1
399 1 62 LEU QB 1 64 SER H 6.000 5.900 6.100 4.709 4.316 5.362 1.584 20 20 [***************-***+] 1
400 1 61 ARG H 1 62 LEU QB 6.000 5.900 6.100 4.478 4.211 4.709 1.689 18 20 [***************-*+**] 1
401 1 44 LYS H 1 45 LEU HG 6.000 5.900 6.100 4.710 4.439 5.175 1.461 4 20 [***+*************-**] 1
402 1 27 LEU QB 1 30 GLU H 6.000 5.900 6.100 3.177 2.275 3.693 3.625 18 20 [*********-*******+**] 1
403 1 66 LYS QG 1 67 VAL H 6.000 5.900 6.100 4.037 3.359 4.532 2.541 16 20 [**-************+****] 1
404 1 57 LYS QG 1 58 TYR H 6.000 5.900 6.100 4.064 3.987 4.174 1.913 1 20 [+*************-*****] 1
405 1 6 CYS H 1 36 ALA MB 6.000 5.900 6.100 5.630 5.120 6.024 0.780 5 3 "[ + 1 - * 2]" 1
406 1 54 THR MG 1 58 TYR H 6.000 5.900 6.100 3.863 3.811 3.940 2.089 1 20 [+**************-****] 1
407 1 13 ARG H 1 47 VAL QG 6.000 5.900 6.100 4.809 4.195 5.595 1.705 17 19 "[******** ******-+***]" 1
408 1 41 THR MG 1 44 LYS H 6.000 5.900 6.100 5.030 4.728 5.579 1.172 11 19 "[******* **+***-*****]" 1
409 1 28 ALA MB 1 30 GLU H 6.000 5.900 6.100 4.933 4.153 5.710 1.747 5 16 "[*** +******** *- **2]" 1
410 1 19 PHE H 1 41 THR MG 6.000 5.900 6.100 5.063 4.780 5.318 1.120 3 20 [**+*********-*******] 1
411 1 20 ILE MG 1 22 GLY H 6.000 5.900 6.100 2.356 2.121 2.636 3.779 14 20 [**********-**+******] 1
412 1 41 THR MG 1 43 LYS H 6.000 5.900 6.100 3.795 3.702 3.921 2.198 9 20 [********+-**********] 1
413 1 28 ALA MB 1 35 ASN QD 6.000 5.900 6.100 2.597 1.872 3.945 4.028 13 20 [************+*****-*] 1
414 1 28 ALA MB 1 29 ASN QD 6.000 5.900 6.100 3.528 2.570 5.062 3.330 15 20 [****-*********+*****] 1
415 1 14 ILE HB 1 55 TRP HD1 6.000 5.900 6.100 5.932 5.864 6.004 0.036 10 0 "[ . 1 . 2]" 1
416 1 63 LEU QD 1 64 SER H 6.000 5.900 6.100 4.130 3.882 4.399 2.018 6 20 [**-**+**************] 1
417 1 18 LYS QG 1 19 PHE H 6.000 5.900 6.100 3.652 2.674 4.081 3.226 16 20 [***************+***-] 1
418 1 22 GLY H 1 63 LEU QD 6.000 5.900 6.100 4.461 4.110 4.965 1.790 20 20 [*********-*********+] 1
419 1 21 VAL QG 1 22 GLY H 6.000 5.900 6.100 2.784 2.600 2.926 3.300 18 20 [*-***************+**] 1
420 1 66 LYS H 1 67 VAL QG 6.000 5.900 6.100 3.752 2.825 5.174 3.075 3 20 [**+*********-*******] 1
421 1 44 LYS H 1 45 LEU QD 6.000 5.900 6.100 4.918 4.742 5.212 1.158 4 20 [***+*************-**] 1
422 1 6 CYS H 1 34 ILE MG 6.000 5.900 6.100 6.081 5.634 6.201 0.266 15 0 "[ . 1 . 2]" 1
423 1 59 ILE MG 1 62 LEU H 6.000 5.900 6.100 4.529 4.311 4.681 1.589 18 20 [*****************+*-] 1
424 1 20 ILE MD 1 22 GLY H 6.000 5.900 6.100 4.861 3.540 5.503 2.360 19 19 "[*********-******* +*]" 1
425 1 60 VAL QG 1 61 ARG H 6.000 5.900 6.100 2.322 2.200 2.463 3.700 5 20 [****+*********-*****] 1
426 1 6 CYS H 1 34 ILE MD 6.000 5.900 6.100 5.378 4.471 6.055 1.429 15 9 "[ *.** 1* +**- *]" 1
427 1 56 VAL QG 1 58 TYR H 6.000 5.900 6.100 4.319 4.024 4.454 1.876 13 20 [***********-+*******] 1
428 1 55 TRP HD1 1 56 VAL QG 6.000 5.900 6.100 4.104 3.900 4.815 2.000 10 20 [********-+**********] 1
429 1 56 VAL QG 1 57 LYS H 6.000 5.900 6.100 2.722 1.769 2.942 4.131 13 20 [***********-+*******] 1
430 1 55 TRP HE3 1 56 VAL QG 6.000 5.900 6.100 3.642 3.521 3.712 2.379 13 20 [-***********+*******] 1
431 1 23 PHE QE 1 37 ILE MG 6.000 5.900 6.100 1.747 1.700 1.832 4.200 12 20 [********-**+********] 1
432 1 37 ILE MG 1 39 PHE QD 6.000 5.900 6.100 3.253 3.002 3.529 2.898 4 20 [***+**************-*] 1
433 1 39 PHE QD 1 56 VAL QG 6.000 5.900 6.100 3.212 3.035 3.406 2.865 20 20 [**************-****+] 1
434 1 23 PHE HZ 1 37 ILE MG 6.000 5.900 6.100 3.810 3.495 3.986 2.405 11 20 [********-*+*********] 1
435 1 14 ILE MG 1 55 TRP HZ2 6.000 5.900 6.100 5.724 5.391 6.036 0.509 16 1 "[ . 1 .+ 2]" 1
436 1 14 ILE QG 1 55 TRP HD1 6.000 5.900 6.100 3.990 2.838 4.382 3.062 16 20 [******-********+****] 1
437 1 14 ILE MG 1 55 TRP HD1 6.000 5.900 6.100 4.027 3.537 4.392 2.363 13 20 [*****-******+*******] 1
438 1 14 ILE MG 1 55 TRP HE3 6.000 5.900 6.100 3.979 2.577 4.501 3.323 16 20 [*****-*********+****] 1
439 1 14 ILE MG 1 16 HIS HD2 6.000 5.900 6.100 2.553 2.026 2.842 3.874 16 20 [***************+***-] 1
440 1 26 GLN QE 1 34 ILE MD 6.000 5.900 6.100 5.193 2.771 5.739 3.129 9 8 "[**- .* *+1 .** 2]" 1
441 1 23 PHE HZ 1 60 VAL QG 6.000 5.900 6.100 2.179 1.955 2.372 3.945 8 20 [*****-*+************] 1
442 1 55 TRP HZ2 1 56 VAL QG 6.000 5.900 6.100 2.490 1.761 2.653 4.139 13 20 [************+*-*****] 1
443 1 14 ILE MD 1 55 TRP HD1 6.000 5.900 6.100 2.268 2.120 3.696 3.780 12 20 [***********+***-****] 1
444 1 14 ILE MD 1 55 TRP HZ2 6.000 5.900 6.100 5.086 4.641 5.411 1.259 7 19 "[******+*******-** **]" 1
445 1 25 ARG HE 1 37 ILE MD 6.000 5.900 6.100 3.903 1.961 5.378 3.939 4 20 [***+***************-] 1
446 1 23 PHE HZ 1 37 ILE MD 6.000 5.900 6.100 3.512 3.157 3.903 2.743 20 20 [******************-+] 1
447 1 23 PHE QE 1 37 ILE MD 6.000 5.900 6.100 2.431 1.907 3.091 3.993 17 20 [****************+*-*] 1
448 1 55 TRP HD1 1 59 ILE MD 6.000 5.900 6.100 6.084 6.027 6.124 0.024 13 0 "[ . 1 . 2]" 1
449 1 25 ARG HE 1 27 LEU QD 6.000 5.900 6.100 3.993 2.201 4.972 3.699 7 20 [**-***+*************] 1
450 1 55 TRP HE3 1 59 ILE MD 6.000 5.900 6.100 1.960 1.909 2.016 3.991 4 20 [***+**********-*****] 1
451 1 55 TRP HE3 1 59 ILE MG 6.000 5.900 6.100 4.691 4.622 4.834 1.278 17 20 [***************-+***] 1
452 1 15 LEU QD 1 16 HIS HD2 6.000 5.900 6.100 4.904 4.483 5.318 1.417 4 20 [***+*-**************] 1
453 1 55 TRP HE3 1 59 ILE QG 6.000 5.900 6.100 3.085 2.999 3.203 2.901 8 20 [*******+*-**********] 1
454 1 18 LYS QG 1 19 PHE QE 6.000 5.900 6.100 4.292 3.052 4.923 2.848 16 20 [***************+**-*] 1
455 1 18 LYS QG 1 19 PHE QD 6.000 5.900 6.100 4.462 2.860 4.982 3.040 16 20 [********-******+****] 1
456 1 13 ARG HE 1 15 LEU QD 6.000 5.900 6.100 3.804 2.302 4.978 3.598 8 20 [****-**+************] 1
457 1 58 TYR QD 1 59 ILE QG 6.000 5.900 6.100 2.440 2.126 2.604 3.774 3 20 [**+******-**********] 1
458 1 39 PHE QD 1 47 VAL QG 6.000 5.900 6.100 3.653 3.109 4.099 2.791 15 20 [********-*****+*****] 1
459 1 27 LEU QD 1 29 ASN QD 6.000 5.900 6.100 2.889 1.879 4.461 4.021 1 20 [+***********-*******] 1
460 1 28 ALA MB 1 34 ILE H 6.000 5.900 6.100 3.666 3.017 4.183 2.883 6 20 [*****+***********-**] 1
461 1 47 VAL QG 1 55 TRP HZ2 6.000 5.900 6.100 4.083 3.476 4.822 2.424 6 20 [*****+**-***********] 1
462 1 54 THR MG 1 55 TRP HD1 6.000 5.900 6.100 5.967 5.834 6.048 0.066 19 0 "[ . 1 . 2]" 1
463 1 52 LYS H 1 52 LYS QD 6.000 5.900 6.100 4.025 2.834 4.797 3.066 17 20 [**-*************+***] 1
464 1 13 ARG QB 1 55 TRP HZ2 6.000 5.900 6.100 3.468 2.810 3.872 3.090 6 20 [*****+***-**********] 1
465 1 51 PRO QB 1 52 LYS H 6.000 5.900 6.100 3.597 3.255 3.935 2.645 5 20 [****+*-*************] 1
466 1 56 VAL HB 1 57 LYS H 6.000 5.900 6.100 2.625 2.437 2.922 3.463 5 20 [****+***-***********] 1
467 1 53 GLN QB 1 55 TRP HD1 6.000 5.900 6.100 2.319 1.967 2.736 3.933 7 20 [******+*****-*******] 1
468 1 15 LEU QB 1 16 HIS HD2 6.000 5.900 6.100 4.551 4.221 4.723 1.679 9 20 [********+******-****] 1
469 1 52 LYS QG 1 53 GLN H 6.000 5.900 6.100 4.047 3.048 4.730 2.852 15 20 [**************+*-***] 1
470 1 39 PHE QD 1 49 ALA MB 6.000 5.900 6.100 2.116 1.959 2.282 3.941 9 20 [********+***-*******] 1
471 1 26 GLN QE 1 36 ALA MB 6.000 5.900 6.100 2.587 1.379 3.805 4.521 3 20 [**+******-**********] 1
472 1 23 PHE HZ 1 25 ARG QG 6.000 5.900 6.100 3.435 2.654 4.327 3.246 15 20 [***-**********+*****] 1
473 1 8 LEU HG 1 9 GLY H 6.000 5.900 6.100 4.290 2.665 5.025 3.235 8 20 [*******+****-*******] 1
474 1 8 LEU QB 1 9 GLY H 6.000 5.900 6.100 3.277 2.570 3.978 3.330 15 20 [********-*****+*****] 1
475 1 23 PHE QE 1 25 ARG QG 6.000 5.900 6.100 3.792 2.847 4.179 3.053 10 20 [***-*****+**********] 1
476 1 23 PHE HZ 1 25 ARG QB 6.000 5.900 6.100 2.138 1.901 2.424 3.999 20 20 [***-***************+] 1
477 1 23 PHE QE 1 25 ARG QB 6.000 5.900 6.100 2.689 2.451 2.855 3.449 7 20 [******+****-********] 1
478 1 4 PHE HZ 1 26 GLN QB 6.000 5.900 6.100 4.068 2.898 4.938 3.002 3 20 [**+*****-***********] 1
479 1 23 PHE QE 1 63 LEU QB 6.000 5.900 6.100 3.274 2.932 3.450 2.968 10 20 [*********+*********-] 1
480 1 23 PHE QE 1 63 LEU HG 6.000 5.900 6.100 5.216 4.154 6.010 1.746 9 9 "[ * ** +** * .* -]" 1
481 1 44 LYS QB 1 45 LEU H 6.000 5.900 6.100 3.567 3.022 4.034 2.878 18 20 [**************-**+**] 1
482 1 39 PHE QD 1 47 VAL HB 6.000 5.900 6.100 3.918 3.534 4.304 2.366 14 20 [****-********+******] 1
483 1 53 GLN QG 1 55 TRP HD1 6.000 5.900 6.100 3.925 3.304 4.614 2.596 16 20 [************-**+****] 1
484 1 14 ILE HA 1 55 TRP HZ2 6.000 5.900 6.100 4.057 3.813 4.336 2.087 16 20 [**************-+****] 1
485 1 14 ILE HA 1 55 TRP HD1 6.000 5.900 6.100 3.779 3.621 4.229 2.279 8 20 [*******+*******-****] 1
486 1 32 CYS QB 1 34 ILE H 6.000 5.900 6.100 3.034 1.959 4.122 3.941 13 20 [************+***-***] 1
487 1 3 ASN QB 1 4 PHE QE 6.000 5.900 6.100 3.513 2.687 4.022 3.213 15 20 [*****-********+*****] 1
488 1 56 VAL HA 1 57 LYS H 6.000 5.900 6.100 3.051 2.958 3.117 2.942 18 20 [-****************+**] 1
489 1 55 TRP HD1 1 56 VAL HA 6.000 5.900 6.100 5.877 5.789 6.132 0.111 11 0 "[ . 1 . 2]" 1
490 1 23 PHE QB 1 39 PHE QD 6.000 5.900 6.100 2.125 1.833 2.222 4.067 9 20 [******-*+***********] 1
491 1 6 CYS QB 1 26 GLN QE 6.000 5.900 6.100 2.704 1.750 3.604 4.150 11 20 [*********-+*********] 1
492 1 50 ASN QB 1 53 GLN QE 6.000 5.900 6.100 2.756 2.417 3.013 3.483 5 20 [****+************-**] 1
493 1 4 PHE HZ 1 7 CYS QB 6.000 5.900 6.100 3.001 2.145 3.818 3.755 10 20 [-********+**********] 1
494 1 55 TRP HE3 1 56 VAL HA 6.000 5.900 6.100 3.495 3.142 3.602 2.758 13 20 [************+****-**] 1
495 1 16 HIS QB 1 19 PHE QE 6.000 5.900 6.100 3.323 2.747 3.961 3.153 18 20 [***-*************+**] 1
496 1 23 PHE HZ 1 60 VAL HA 6.000 5.900 6.100 4.418 3.969 4.719 1.931 8 20 [*******+***-********] 1
497 1 16 HIS QB 1 35 ASN QD 6.000 5.900 6.100 2.122 1.832 2.220 4.068 9 20 [******-*+***********] 1
498 1 16 HIS QB 1 19 PHE QD 6.000 5.900 6.100 2.706 1.942 3.968 3.958 11 20 [**********+***-*****] 1
499 1 57 LYS H 1 58 TYR QB 6.000 5.900 6.100 2.500 2.407 2.595 3.493 14 20 [*-***********+******] 1
500 1 58 TYR QD 1 59 ILE HA 6.000 5.900 6.100 3.822 3.591 3.997 2.309 8 20 [-******+************] 1
501 1 10 TYR QD 1 48 CYS QB 6.000 5.900 6.100 2.505 2.185 2.789 3.715 15 20 [********-*****+*****] 1
502 1 40 HIS HD2 1 46 SER QB 6.000 5.900 6.100 5.154 4.294 5.375 1.606 19 20 [*************-****+*] 1
503 1 55 TRP HE3 1 59 ILE HA 6.000 5.900 6.100 6.081 5.979 6.183 0.083 16 0 "[ . 1 . 2]" 1
504 1 51 PRO QD 1 52 LYS H 6.000 5.900 6.100 3.001 2.630 3.435 3.270 16 20 [******-********+****] 1
505 1 54 THR HB 1 55 TRP HD1 6.000 5.900 6.100 5.932 5.730 6.075 0.170 18 0 "[ . 1 . 2]" 1
506 1 51 PRO HA 1 52 LYS H 6.000 5.900 6.100 3.184 2.900 3.362 3.000 7 20 [****-*+*************] 1
507 1 28 ALA HA 1 34 ILE H 6.000 5.900 6.100 3.881 3.283 4.498 2.617 10 20 [*********+****-*****] 1
508 1 16 HIS HD2 1 17 PRO QD 6.000 5.900 6.100 3.788 3.401 4.250 2.499 19 20 [********-*********+*] 1
509 1 51 PRO HA 1 53 GLN H 6.000 5.900 6.100 4.039 3.541 5.628 2.359 8 19 "[****** +-***********]" 1
510 1 23 PHE HZ 1 64 SER QB 6.000 5.900 6.100 4.482 2.853 5.799 3.047 7 17 "[ ****+* ********-**]" 1
511 1 58 TYR HA 1 59 ILE H 6.000 5.900 6.100 3.571 3.556 3.596 2.344 13 20 [******-*****+*******] 1
512 1 58 TYR HA 1 61 ARG HE 6.000 5.900 6.100 4.022 2.308 6.070 3.592 6 16 "[ ** *+***1-**** ****]" 1
513 1 18 LYS HA 1 19 PHE QD 6.000 5.900 6.100 4.093 3.704 4.524 2.196 13 20 [************+**-****] 1
514 1 44 LYS HA 1 45 LEU H 6.000 5.900 6.100 2.896 2.689 3.073 3.211 15 20 [**************+**-**] 1
515 1 23 PHE QE 1 64 SER QB 6.000 5.900 6.100 4.202 3.029 5.246 2.871 4 20 [-**+****************] 1
516 1 53 GLN HA 1 57 LYS H 6.000 5.900 6.100 5.310 5.037 5.836 0.863 18 15 "[****** - *** *. *+**]" 1
517 1 54 THR HA 1 55 TRP HD1 6.000 5.900 6.100 5.769 5.627 5.965 0.273 15 0 "[ . 1 . 2]" 1
518 1 15 LEU HA 1 55 TRP HE3 6.000 5.900 6.100 5.170 5.016 5.401 0.884 15 19 "[*-***** ******+*****]" 1
519 1 8 LEU HA 1 9 GLY H 6.000 5.900 6.100 3.302 2.708 3.507 3.192 13 20 [************+*-*****] 1
520 1 15 LEU HA 1 16 HIS HD2 6.000 5.900 6.100 3.898 3.231 4.258 2.669 9 20 [******-*+***********] 1
521 1 23 PHE QE 1 63 LEU HA 6.000 5.900 6.100 5.543 5.270 5.691 0.630 10 4 "[ . + -* * 2]" 1
522 1 4 PHE HZ 1 6 CYS HA 6.000 5.900 6.100 6.033 5.569 6.249 0.331 15 0 "[ . 1 . 2]" 1
523 1 23 PHE QE 1 24 THR HA 6.000 5.900 6.100 4.364 4.146 4.610 1.754 10 20 [*********+******-***] 1
524 1 6 CYS HA 1 26 GLN QE 6.000 5.900 6.100 2.396 1.814 3.110 4.086 9 20 [********+*-*********] 1
525 1 55 TRP HA 1 58 TYR QD 6.000 5.900 6.100 3.439 3.137 3.677 2.763 6 20 [*****+******-*******] 1
526 1 55 TRP HA 1 57 LYS H 6.000 5.900 6.100 3.827 3.739 3.961 2.161 1 20 [+**************-****] 1
527 1 4 PHE QE 1 6 CYS HA 6.000 5.900 6.100 4.145 3.190 5.441 2.710 15 19 "[***-**** *****+*****]" 1
528 1 4 PHE QE 1 26 GLN HA 6.000 5.900 6.100 3.237 2.231 4.624 3.669 18 20 [********-********+**] 1
529 1 7 CYS HA 1 9 GLY H 6.000 5.900 6.100 3.654 3.354 4.124 2.546 15 20 [************-*+*****] 1
530 1 33 ASP HA 1 34 ILE H 6.000 5.900 6.100 3.405 3.169 3.528 2.731 6 20 [*****+************-*] 1
531 1 19 PHE HA 1 19 PHE QE 6.000 5.900 6.100 4.678 4.383 4.781 1.517 16 20 [******-********+****] 1
532 1 34 ILE HA 1 35 ASN QD 6.000 5.900 6.100 3.563 3.012 4.683 2.888 13 20 [****-*******+*******] 1
533 1 7 CYS HA 1 23 PHE QE 6.000 5.900 6.100 3.503 3.033 4.377 2.867 18 20 [**********-******+**] 1
534 1 23 PHE QE 1 25 ARG HA 6.000 5.900 6.100 3.621 3.013 4.162 2.887 16 20 [**********-****+****] 1
535 1 32 CYS HA 1 34 ILE H 6.000 5.900 6.100 4.127 3.615 4.731 2.285 7 20 [****-*+*************] 1
536 1 12 ASP HA 1 55 TRP HZ2 6.000 5.900 6.100 5.173 4.710 5.737 1.190 19 17 "[***-** *** ****** +*]" 1
537 1 49 ALA HA 1 55 TRP HZ2 6.000 5.900 6.100 3.559 3.237 3.920 2.663 16 20 [*******-*******+****] 1
538 1 15 LEU H 1 55 TRP HZ2 6.000 5.900 6.100 3.406 3.095 3.768 2.805 8 20 [*******+-***********] 1
539 1 55 TRP HD1 1 56 VAL H 6.000 5.900 6.100 3.560 3.463 3.958 2.437 18 20 [************-****+**] 1
540 1 56 VAL H 1 57 LYS H 6.000 5.900 6.100 2.581 2.514 2.656 3.386 13 20 [****-*******+*******] 1
541 1 55 TRP HE3 1 56 VAL H 6.000 5.900 6.100 4.075 3.855 4.200 2.045 13 20 [**-*********+*******] 1
542 1 53 GLN H 1 56 VAL H 6.000 5.900 6.100 4.693 4.445 5.411 1.455 17 19 "[****** ********-+***]" 1
543 1 23 PHE HA 1 39 PHE QD 6.000 5.900 6.100 2.820 2.538 3.113 3.362 16 20 [***************+**-*] 1
544 1 23 PHE HA 1 23 PHE QE 6.000 5.900 6.100 4.904 4.877 4.933 1.023 4 20 [***+**************-*] 1
545 1 39 PHE QD 1 55 TRP HZ3 6.000 5.900 6.100 3.090 2.797 3.364 3.103 7 20 [******+-************] 1
546 1 39 PHE QE 1 55 TRP HE3 6.000 5.900 6.100 4.078 3.693 4.263 2.207 13 20 [************+**-****] 1
547 1 23 PHE QE 1 25 ARG HE 6.000 5.900 6.100 3.651 2.569 4.614 3.331 8 20 [*******+**********-*] 1
548 1 52 LYS H 1 53 GLN QE 6.000 5.900 6.100 4.557 3.917 4.874 1.983 7 20 [*****-+*************] 1
549 1 58 TYR QD 1 59 ILE H 6.000 5.900 6.100 3.190 2.993 3.372 2.907 17 20 [*-**************+***] 1
550 1 52 LYS H 1 53 GLN H 6.000 5.900 6.100 2.286 1.970 2.766 3.930 12 20 [******-****+********] 1
551 1 50 ASN QD 1 53 GLN QE 6.000 5.900 6.100 3.004 2.691 3.607 3.209 17 20 [********-*******+***] 1
552 1 53 GLN QE 1 57 LYS H 6.000 5.900 6.100 5.489 4.688 5.785 1.212 13 4 "[ . * *1 + .- 2]" 1
553 1 59 ILE H 1 62 LEU H 6.000 5.900 6.100 4.861 4.629 5.068 1.271 18 20 [*****************+*-] 1
554 1 61 ARG H 1 62 LEU H 6.000 5.900 6.100 2.597 2.473 2.699 3.427 18 20 [***************-*+**] 1
555 1 66 LYS H 1 67 VAL H 6.000 5.900 6.100 3.213 1.942 4.397 3.958 9 20 [***-****+***********] 1
556 1 58 TYR H 1 60 VAL H 6.000 5.900 6.100 4.199 4.072 4.410 1.828 18 20 [***************-*+**] 1
557 1 4 PHE H 1 5 ASP H 6.000 5.900 6.100 4.246 1.978 4.419 3.922 9 20 [********+*********-*] 1
558 1 39 PHE QE 1 55 TRP HZ3 6.000 5.900 6.100 3.038 2.402 3.127 3.498 13 20 [*******-****+*******] 1
559 1 23 PHE HA 1 40 HIS HD2 6.000 5.900 6.100 2.162 2.034 2.298 3.866 1 20 [+******************-] 1
560 1 40 HIS HD2 1 46 SER HA 6.000 5.900 6.100 5.320 4.712 5.584 1.188 19 12 "[******** * - . +*]" 1
561 1 15 LEU H 1 55 TRP HZ3 6.000 5.900 6.100 3.192 2.667 3.457 3.233 16 20 [*****-*********+****] 1
562 1 39 PHE HA 1 40 HIS HD2 6.000 5.900 6.100 3.098 2.939 3.268 2.961 19 20 [****************-*+*] 1
563 1 23 PHE QD 1 39 PHE HA 6.000 5.900 6.100 3.534 3.373 3.661 2.527 8 20 [****-**+************] 1
564 1 10 TYR QD 1 49 ALA HA 6.000 5.900 6.100 2.751 2.528 2.920 3.372 13 20 [**********-*+*******] 1
565 1 39 PHE HA 1 39 PHE QE 6.000 5.900 6.100 4.305 4.206 4.414 1.694 16 20 [***************+**-*] 1
566 1 48 CYS HA 1 50 ASN QD 6.000 5.900 6.100 5.459 5.341 5.659 0.559 9 7 "[* *. *-+1 * *]" 1
567 1 23 PHE QD 1 25 ARG HA 6.000 5.900 6.100 4.801 4.389 5.181 1.511 16 20 [**********-****+****] 1
568 1 10 TYR QD 1 11 THR HA 6.000 5.900 6.100 5.666 4.590 6.087 1.310 16 5 "[ * * - 1 *+ 2]" 1
569 1 23 PHE QD 1 24 THR HA 6.000 5.900 6.100 4.051 3.776 4.238 2.124 10 20 [*********+******-***] 1
570 1 15 LEU HA 1 55 TRP HZ3 6.000 5.900 6.100 4.472 4.124 4.677 1.776 16 20 [*****-*********+****] 1
571 1 58 TYR HA 1 58 TYR QE 6.000 5.900 6.100 4.749 4.622 4.835 1.278 13 20 [************+**-****] 1
572 1 24 THR HB 1 40 HIS HD2 6.000 5.900 6.100 4.197 4.032 4.348 1.868 1 20 [+*********-*********] 1
573 1 17 PRO QD 1 58 TYR QE 6.000 5.900 6.100 2.740 2.388 3.243 3.512 20 20 [*************-*****+] 1
574 1 9 GLY QA 1 10 TYR QD 6.000 5.900 6.100 3.189 2.825 4.103 3.075 19 20 [***************-**+*] 1
575 1 58 TYR HE1 1 59 ILE HA 6.000 5.900 6.100 5.384 4.964 5.736 0.936 20 9 "[-* *.* * * ** +]" 1
576 1 39 PHE QE 1 60 VAL HA 6.000 5.900 6.100 3.081 2.739 3.333 3.161 19 20 [************-*****+*] 1
577 1 39 PHE QE 1 56 VAL HA 6.000 5.900 6.100 2.375 2.144 2.569 3.756 20 20 [***************-***+] 1
578 1 55 TRP HZ3 1 56 VAL HA 6.000 5.900 6.100 3.960 3.531 4.092 2.369 13 20 [************+****-**] 1
579 1 23 PHE QB 1 40 HIS HD2 6.000 5.900 6.100 3.912 3.814 4.058 2.086 3 20 [**+************-****] 1
580 1 23 PHE QB 1 39 PHE QE 6.000 5.900 6.100 2.879 2.201 3.339 3.699 16 20 [***************+**-*] 1
581 1 14 ILE HA 1 55 TRP HZ3 6.000 5.900 6.100 4.945 3.980 5.302 1.920 16 20 [*****-*********+****] 1
582 1 58 TYR QE 1 59 ILE QG 6.000 5.900 6.100 3.256 2.922 3.609 2.978 8 20 [*******+****-*******] 1
583 1 69 ASN QD 1 70 MET QB 6.000 5.900 6.100 4.151 2.810 5.187 3.090 17 20 [****-***********+***] 1
584 1 23 PHE QD 1 63 LEU QB 6.000 5.900 6.100 2.673 2.262 3.018 3.638 5 20 [****+**-************] 1
585 1 23 PHE QD 1 63 LEU HG 6.000 5.900 6.100 4.131 2.633 5.148 3.267 9 20 [********+*******-***] 1
586 1 39 PHE QE 1 56 VAL HB 6.000 5.900 6.100 4.299 3.670 4.481 2.230 13 20 [************+*-*****] 1
587 1 17 PRO QG 1 58 TYR QE 6.000 5.900 6.100 2.825 2.304 3.265 3.596 11 20 [-*********+*********] 1
588 1 39 PHE QE 1 59 ILE HB 6.000 5.900 6.100 3.087 2.939 3.174 2.961 7 20 [******+**-**********] 1
589 1 23 PHE QD 1 25 ARG QB 6.000 5.900 6.100 4.352 4.082 4.448 1.818 11 20 [**********+*****-***] 1
590 1 38 ILE HB 1 40 HIS HD2 6.000 5.900 6.100 4.262 3.799 4.795 2.101 19 20 [**********-*******+*] 1
591 1 13 ARG QB 1 55 TRP HH2 6.000 5.900 6.100 3.467 3.198 3.730 2.702 16 20 [****-**********+****] 1
592 1 58 TYR QE 1 62 LEU QB 6.000 5.900 6.100 4.342 3.891 4.830 2.009 5 20 [****+***-***********] 1
593 1 15 LEU HG 1 55 TRP HZ3 6.000 5.900 6.100 4.618 4.320 5.113 1.580 13 20 [*****-******+*******] 1
594 1 23 PHE QD 1 25 ARG QG 6.000 5.900 6.100 5.284 4.546 5.878 1.354 10 12 "[ * * * *+ -******2]" 1
595 1 36 ALA MB 1 50 ASN QD 6.000 5.900 6.100 5.006 4.637 5.407 1.263 16 19 "[****- *********+****]" 1
596 1 15 LEU QB 1 55 TRP HZ3 6.000 5.900 6.100 2.105 1.920 2.361 3.980 13 20 [*******-****+*******] 1
597 1 39 PHE QE 1 49 ALA MB 6.000 5.900 6.100 2.539 2.335 2.868 3.565 19 20 [************-*****+*] 1
598 1 49 ALA MB 1 50 ASN QD 6.000 5.900 6.100 2.840 2.572 3.085 3.328 13 20 [************+-******] 1
599 1 24 THR MG 1 40 HIS HD2 6.000 5.900 6.100 5.272 5.212 5.373 0.688 1 20 [+************-******] 1
600 1 23 PHE QD 1 24 THR MG 6.000 5.900 6.100 5.377 5.252 5.452 0.648 11 13 "[ **-***+***** *]" 1
601 1 20 ILE MG 1 39 PHE QE 6.000 5.900 6.100 4.012 3.687 4.462 2.213 16 20 [***************+***-] 1
602 1 20 ILE MG 1 23 PHE QD 6.000 5.900 6.100 4.618 4.234 5.168 1.666 8 20 [*******+***********-] 1
603 1 23 PHE QD 1 63 LEU QD 6.000 5.900 6.100 2.610 2.105 2.858 3.795 13 20 [***-********+*******] 1
604 1 39 PHE QE 1 59 ILE QG 6.000 5.900 6.100 3.159 2.875 3.410 3.025 8 20 [*******+****-*******] 1
605 1 15 LEU QD 1 55 TRP HZ3 6.000 5.900 6.100 3.469 3.226 3.729 2.674 9 20 [*******-+***********] 1
606 1 55 TRP HZ3 1 59 ILE MD 6.000 5.900 6.100 1.999 1.880 2.156 4.020 6 20 [*****+***-**********] 1
607 1 55 TRP HZ3 1 59 ILE MG 6.000 5.900 6.100 4.139 3.973 4.300 1.927 6 20 [*****+**-***********] 1
608 1 14 ILE MD 1 55 TRP HZ3 6.000 5.900 6.100 6.008 5.888 6.285 0.185 16 0 "[ . 1 . 2]" 1
609 1 58 TYR QE 1 59 ILE MD 6.000 5.900 6.100 4.283 3.950 4.707 1.950 6 20 [*****+******-*******] 1
610 1 58 TYR QE 1 59 ILE MG 6.000 5.900 6.100 4.875 4.461 5.189 1.439 16 20 [************-**+****] 1
611 1 23 PHE QD 1 59 ILE MG 6.000 5.900 6.100 4.381 3.940 4.718 1.960 11 20 [**********+****-****] 1
612 1 37 ILE MD 1 39 PHE QE 6.000 5.900 6.100 4.824 4.399 5.163 1.501 4 20 [***+**************-*] 1
613 1 23 PHE QD 1 37 ILE MD 6.000 5.900 6.100 4.302 3.869 4.860 2.031 17 20 [****************+*-*] 1
614 1 38 ILE MG 1 40 HIS HD2 6.000 5.900 6.100 3.208 2.848 3.617 3.052 1 20 [+*******-***********] 1
615 1 23 PHE QD 1 60 VAL QG 6.000 5.900 6.100 3.671 3.541 3.789 2.359 6 20 [*****+***********-**] 1
616 1 39 PHE QE 1 60 VAL QG 6.000 5.900 6.100 3.580 3.403 3.755 2.497 19 20 [************-*****+*] 1
617 1 20 ILE MD 1 55 TRP HZ3 6.000 5.900 6.100 3.300 2.436 4.741 3.464 10 20 [*********+***-******] 1
618 1 10 TYR QD 1 34 ILE MD 6.000 5.900 6.100 3.979 3.221 4.620 2.679 9 20 [********+******-****] 1
619 1 14 ILE MG 1 55 TRP HZ3 6.000 5.900 6.100 5.216 3.979 5.655 1.921 16 14 "[***-. * *****.+***2]" 1
620 1 23 PHE QD 1 37 ILE MG 6.000 5.900 6.100 2.456 2.232 2.685 3.668 4 20 [***+**************-*] 1
621 1 55 TRP HH2 1 56 VAL QG 6.000 5.900 6.100 3.189 3.035 3.348 2.865 16 20 [**************-+****] 1
622 1 39 PHE QE 1 56 VAL QG 6.000 5.900 6.100 1.687 1.579 1.905 4.321 20 20 [**************-****+] 1
623 1 37 ILE MG 1 39 PHE QE 6.000 5.900 6.100 2.830 2.690 2.952 3.210 4 20 [***+***********-****] 1
624 1 55 TRP HZ3 1 56 VAL QG 6.000 5.900 6.100 3.441 3.145 3.624 2.755 13 20 [************+*-*****] 1
625 1 37 ILE MG 1 39 PHE HZ 6.000 5.900 6.100 2.794 2.689 2.970 3.211 11 20 [**********+****-****] 1
626 1 4 PHE H 1 4 PHE QE 6.000 5.900 6.100 4.138 3.928 4.258 1.972 11 20 [**********+*-*******] 1
627 1 4 PHE QE 1 5 ASP H 6.000 5.900 6.100 5.182 3.738 5.912 2.162 9 13 "[***-** +1 ***** * 2]" 1
628 1 19 PHE H 1 19 PHE QE 6.000 5.900 6.100 4.773 4.627 5.078 1.273 7 20 [******+********-****] 1
629 1 32 CYS H 1 34 ILE H 6.000 5.900 6.100 5.367 4.859 5.906 1.041 4 10 "[* +.** - ***.* * 2]" 1
630 1 43 LYS H 1 45 LEU H 6.000 5.900 6.100 3.425 3.139 3.884 2.761 12 20 [***********+****-***] 1
631 1 57 LYS H 1 58 TYR QD 6.000 5.900 6.100 3.180 2.987 3.357 2.913 17 20 [*-**************+***] 1
632 1 4 PHE QD 1 6 CYS H 6.000 5.900 6.100 3.076 2.462 4.817 3.438 3 20 [**+-****************] 1
633 1 39 PHE QD 1 47 VAL H 6.000 5.900 6.100 5.486 5.331 5.635 0.569 15 3 "[ . * 1 -+ 2]" 1
634 1 23 PHE QE 1 38 ILE H 6.000 5.900 6.100 4.545 4.075 5.149 1.825 16 20 [**********-****+****] 1
635 1 41 THR H 1 45 LEU H 6.000 5.900 6.100 3.388 3.083 3.923 2.817 3 20 [**+**************-**] 1
636 1 7 CYS H 1 9 GLY H 6.000 5.900 6.100 5.196 4.338 5.746 1.562 9 13 "[ **** +*****.* *-2]" 1
637 1 7 CYS H 1 26 GLN QE 6.000 5.900 6.100 2.443 1.837 3.890 4.063 17 20 [*************-**+***] 1
638 1 10 TYR QD 1 36 ALA H 6.000 5.900 6.100 6.050 5.585 6.197 0.315 16 0 "[ . 1 . 2]" 1
639 1 48 CYS H 1 50 ASN QD 6.000 5.900 6.100 5.606 5.542 5.690 0.358 11 0 "[ . 1 . 2]" 1
640 1 40 HIS HD2 1 41 THR H 6.000 5.900 6.100 5.873 5.656 5.996 0.244 8 0 "[ . 1 . 2]" 1
641 1 23 PHE QD 1 40 HIS H 6.000 5.900 6.100 5.082 4.941 5.206 0.959 8 20 [*****-*+************] 1
642 1 39 PHE QE 1 60 VAL H 6.000 5.900 6.100 3.891 3.614 3.998 2.286 19 20 [*****************-+*] 1
643 1 29 ASN QD 1 35 ASN QD 6.000 5.900 6.100 5.135 4.322 5.495 1.578 2 17 "[ +**.** ****-*******]" 1
644 1 55 TRP HE3 1 58 TYR HE2 6.000 5.900 6.100 6.055 5.640 6.424 0.324 19 0 "[ . 1 . 2]" 1
645 1 39 PHE QE 1 55 TRP HZ3 6.000 5.900 6.100 3.041 2.403 3.131 3.497 13 20 [*******-****+*******] 1
646 1 23 PHE HA 1 24 THR HA 6.000 5.900 6.100 4.396 4.358 4.415 1.542 17 20 [****************+**-] 1
647 1 23 PHE HA 1 24 THR HB 6.000 5.900 6.100 4.610 4.550 4.709 1.350 3 20 [**+*******-*********] 1
648 1 23 PHE HA 1 39 PHE QB 6.000 5.900 6.100 4.451 4.255 4.659 1.645 9 20 [******-*+***********] 1
649 1 23 PHE HA 1 38 ILE HB 6.000 5.900 6.100 4.549 4.233 4.966 1.667 3 20 [**+*****-***********] 1
650 1 23 PHE HA 1 24 THR MG 6.000 5.900 6.100 5.436 5.413 5.468 0.487 14 0 "[ . 1 . 2]" 1
651 1 20 ILE MG 1 23 PHE HA 6.000 5.900 6.100 4.201 3.863 4.795 2.037 17 20 [****************+**-] 1
652 1 23 PHE HA 1 63 LEU QD 6.000 5.900 6.100 3.898 3.545 4.342 2.355 14 20 [**********-**+******] 1
653 1 23 PHE HA 1 38 ILE MG 6.000 5.900 6.100 4.217 4.001 4.513 1.899 3 20 [**+************-****] 1
654 1 23 PHE HA 1 37 ILE MG 6.000 5.900 6.100 4.477 4.180 4.790 1.720 4 20 [***+**************-*] 1
655 1 14 ILE MG 1 15 LEU H 6.000 5.900 6.100 3.566 3.400 3.717 2.500 9 20 [********+-**********] 1
656 1 20 ILE MD 1 41 THR HA 6.000 5.900 6.100 3.765 2.120 5.207 3.780 14 20 [**-**********+******] 1
657 1 38 ILE MG 1 40 HIS HA 6.000 5.900 6.100 3.705 3.462 3.971 2.438 17 20 [********-*******+***] 1
658 1 38 ILE MG 1 46 SER HA 6.000 5.900 6.100 3.127 2.874 3.614 3.026 10 20 [*******-*+**********] 1
659 1 21 VAL QG 1 41 THR HA 6.000 5.900 6.100 3.217 2.904 3.479 2.996 3 20 [-*+*****************] 1
660 1 27 LEU QD 1 35 ASN HA 6.000 5.900 6.100 4.565 3.527 5.203 2.373 19 20 [********-*********+*] 1
661 1 46 SER HA 1 47 VAL QG 6.000 5.900 6.100 3.639 3.439 3.834 2.461 19 20 [*********-********+*] 1
662 1 20 ILE QG 1 41 THR HA 6.000 5.900 6.100 3.832 3.208 4.379 2.692 1 20 [+*****-*************] 1
663 1 20 ILE MG 1 41 THR HA 6.000 5.900 6.100 4.379 3.919 4.769 1.981 16 20 [*****-*********+****] 1
664 1 28 ALA MB 1 35 ASN HA 6.000 5.900 6.100 3.846 3.271 4.354 2.629 13 20 [**********-*+*******] 1
665 1 20 ILE MG 1 39 PHE HA 6.000 5.900 6.100 3.779 3.316 4.658 2.584 17 20 [****************+**-] 1
666 1 41 THR MG 1 46 SER HA 6.000 5.900 6.100 4.329 3.975 4.680 1.925 8 20 [*******+*-**********] 1
667 1 40 HIS HA 1 41 THR MG 6.000 5.900 6.100 3.841 3.685 3.975 2.215 9 20 [********+-**********] 1
668 1 35 ASN HA 1 36 ALA MB 6.000 5.900 6.100 3.965 3.845 4.027 2.055 15 20 [**************+***-*] 1
669 1 56 VAL H 1 57 LYS QG 6.000 5.900 6.100 4.122 3.917 4.474 1.983 13 20 [***********-+*******] 1
670 1 11 THR MG 1 49 ALA HA 6.000 5.900 6.100 2.207 1.701 2.925 4.199 11 20 [**********+****-****] 1
671 1 53 GLN QB 1 56 VAL H 6.000 5.900 6.100 2.974 2.232 3.328 3.668 18 20 [***************-*+**] 1
672 1 46 SER HA 1 47 VAL HB 6.000 5.900 6.100 4.602 4.428 4.704 1.472 15 20 [***-**********+*****] 1
673 1 41 THR HA 1 42 LYS QB 6.000 5.900 6.100 4.193 4.026 4.441 1.874 8 20 [*******+****-*******] 1
674 1 14 ILE HA 1 15 LEU H 6.000 5.900 6.100 2.298 2.160 2.403 3.740 16 20 [*********-*****+****] 1
675 1 55 TRP QB 1 56 VAL H 6.000 5.900 6.100 3.399 3.373 3.476 2.527 15 20 [************-*+*****] 1
676 1 40 HIS QB 1 46 SER HA 6.000 5.900 6.100 3.978 3.487 4.439 2.413 19 20 [***-**************+*] 1
677 1 40 HIS HA 1 46 SER QB 6.000 5.900 6.100 3.626 3.381 3.951 2.519 8 20 [-******+************] 1
678 1 56 VAL H 1 57 LYS HA 6.000 5.900 6.100 5.187 5.132 5.238 0.768 13 20 [****-*******+*******] 1
679 1 46 SER HA 1 47 VAL HA 6.000 5.900 6.100 4.395 4.353 4.444 1.547 8 20 [**-****+************] 1
680 1 55 TRP HA 1 56 VAL H 6.000 5.900 6.100 3.450 3.432 3.465 2.468 6 20 [*****+*********-****] 1
681 1 53 GLN HA 1 56 VAL H 6.000 5.900 6.100 4.783 4.341 5.278 1.559 10 20 [*********+*****-****] 1
682 1 40 HIS HA 1 45 LEU HA 6.000 5.900 6.100 5.495 5.270 5.750 0.630 10 5 "[ - . + * . **]" 1
683 1 45 LEU HA 1 46 SER HA 6.000 5.900 6.100 4.374 4.344 4.480 1.556 11 20 [*******-**+*********] 1
684 1 19 PHE HA 1 41 THR HA 6.000 5.900 6.100 4.813 4.573 5.041 1.327 12 20 [***********+*-******] 1
685 1 40 HIS HA 1 46 SER HA 6.000 5.900 6.100 2.290 1.869 2.650 4.031 19 20 [***-**************+*] 1
686 1 40 HIS HA 1 41 THR HA 6.000 5.900 6.100 4.362 4.300 4.393 1.600 8 20 [****-**+************] 1
687 1 40 HIS HA 1 45 LEU H 6.000 5.900 6.100 5.027 4.672 5.715 1.228 3 18 "[**+************* *-]" 1
688 1 40 HIS H 1 46 SER HA 6.000 5.900 6.100 4.707 4.381 4.966 1.519 19 20 [*************-****+*] 1
689 1 41 THR HA 1 43 LYS H 6.000 5.900 6.100 3.631 3.549 3.745 2.351 14 20 [*********-***+******] 1
690 1 49 ALA HA 1 50 ASN QD 6.000 5.900 6.100 2.770 2.542 2.950 3.358 13 20 [**********-*+*******] 1
691 1 27 LEU HA 1 35 ASN HA 6.000 5.900 6.100 3.207 2.786 3.824 3.114 3 20 [**+-****************] 1
692 1 34 ILE HA 1 35 ASN HA 6.000 5.900 6.100 4.448 4.316 4.642 1.584 20 20 [****************-**+] 1
693 1 21 VAL HA 1 41 THR HA 6.000 5.900 6.100 5.760 5.373 6.040 0.527 16 1 "[ . 1 .+ 2]" 1
694 1 20 ILE HA 1 41 THR HA 6.000 5.900 6.100 2.404 2.080 2.627 3.820 16 20 [***********-***+****] 1
695 1 41 THR HA 1 42 LYS HA 6.000 5.900 6.100 4.348 4.297 4.385 1.603 8 20 [*******+*****-******] 1
696 1 23 PHE QB 1 39 PHE HA 6.000 5.900 6.100 3.261 3.113 3.383 2.787 1 20 [+******************-] 1
697 1 26 GLN QG 1 35 ASN HA 6.000 5.900 6.100 4.132 2.275 5.429 3.625 16 19 "[ **************+-***]" 1
698 1 26 GLN QB 1 35 ASN HA 6.000 5.900 6.100 3.856 3.159 4.644 2.741 18 20 [*************-***+**] 1
699 1 53 GLN HA 1 56 VAL QG 6.000 5.900 6.100 4.796 3.813 5.434 2.087 13 19 "[******-*****+** ****]" 1
700 1 51 PRO HA 1 56 VAL QG 6.000 5.900 6.100 2.526 2.054 2.867 3.846 18 20 [***************-*+**] 1
701 1 37 ILE MG 1 51 PRO HA 6.000 5.900 6.100 4.916 4.411 5.974 1.489 20 19 "[****** *******-****+]" 1
702 1 14 ILE MG 1 15 LEU HA 6.000 5.900 6.100 3.962 3.744 4.282 2.156 15 20 [************-*+*****] 1
703 1 13 ARG HA 1 14 ILE MG 6.000 5.900 6.100 5.612 5.537 5.707 0.363 7 0 "[ . 1 . 2]" 1
704 1 8 LEU HA 1 34 ILE MD 6.000 5.900 6.100 2.978 1.864 4.185 4.036 1 20 [+*******-***********] 1
705 1 17 PRO HA 1 20 ILE MD 6.000 5.900 6.100 3.474 2.837 4.376 3.063 18 20 [*************-***+**] 1
706 1 60 VAL QG 1 61 ARG HA 6.000 5.900 6.100 3.155 3.056 3.271 2.844 19 20 [***************-**+*] 1
707 1 37 ILE MD 1 51 PRO HA 6.000 5.900 6.100 3.923 3.385 4.548 2.515 16 20 [******-********+****] 1
708 1 24 THR HB 1 38 ILE MG 6.000 5.900 6.100 3.068 2.875 3.381 3.025 6 20 [*****+**********-***] 1
709 1 18 LYS HA 1 21 VAL QG 6.000 5.900 6.100 2.257 2.158 2.719 3.742 9 20 [********+**********-] 1
710 1 58 TYR HA 1 62 LEU QD 6.000 5.900 6.100 4.772 3.237 5.387 2.663 17 20 [****************+-**] 1
711 1 17 PRO HA 1 59 ILE MG 6.000 5.900 6.100 3.498 3.266 3.935 2.634 2 20 [*+*****************-] 1
712 1 17 PRO HA 1 59 ILE MD 6.000 5.900 6.100 3.847 3.507 4.486 2.393 2 20 [*+*************-****] 1
713 1 17 PRO QD 1 59 ILE MD 6.000 5.900 6.100 2.519 2.171 2.942 3.729 19 20 [********-*********+*] 1
714 1 13 ARG HA 1 14 ILE QG 6.000 5.900 6.100 3.891 3.556 4.949 2.344 10 20 [*********+*****-****] 1
715 1 11 THR HB 1 47 VAL QG 6.000 5.900 6.100 2.685 2.010 3.454 3.890 10 20 [*********+****-*****] 1
716 1 20 ILE HA 1 41 THR MG 6.000 5.900 6.100 3.418 2.946 3.754 2.954 3 20 [**+***************-*] 1
717 1 24 THR HA 1 25 ARG QB 6.000 5.900 6.100 4.412 4.090 4.651 1.810 11 20 [**********+***-*****] 1
718 1 67 VAL HB 1 68 LYS HA 6.000 5.900 6.100 4.927 4.443 5.988 1.457 17 16 "[ **** ***** ***+-**]" 1
719 1 47 VAL HA 1 48 CYS QB 6.000 5.900 6.100 4.503 4.429 4.585 1.471 14 20 [*************+**-***] 1
720 1 7 CYS HA 1 8 LEU HA 6.000 5.900 6.100 3.754 3.705 3.792 2.195 14 20 [*************+*-****] 1
721 1 20 ILE HA 1 41 THR HB 6.000 5.900 6.100 4.580 4.119 4.869 1.781 16 20 [***********-***+****] 1
722 1 22 GLY QA 1 40 HIS HD2 6.000 5.900 6.100 3.295 3.073 3.660 2.827 11 20 [*******-**+*********] 1
723 1 15 LEU HA 1 16 HIS HD2 6.000 5.900 6.100 3.898 3.231 4.258 2.669 9 20 [******-*+***********] 1
724 1 53 GLN HA 1 55 TRP HD1 6.000 5.900 6.100 4.562 4.009 4.901 1.891 10 20 [*****-***+**********] 1
725 1 20 ILE HA 1 22 GLY H 6.000 5.900 6.100 3.371 3.279 3.504 2.621 10 20 [*********+*****-****] 1
726 1 30 GLU HA 1 32 CYS H 6.000 5.900 6.100 5.275 4.732 6.022 1.168 5 14 "[ * *+*****- * ****]" 1
727 1 64 SER H 1 65 LYS HA 6.000 5.900 6.100 4.991 4.419 5.298 1.481 14 20 [*************+*-****] 1
728 1 65 LYS HA 1 66 LYS H 6.000 5.900 6.100 2.691 2.089 3.303 3.811 6 20 [*****+*-************] 1
729 1 53 GLN HA 1 55 TRP H 6.000 5.900 6.100 4.236 3.886 4.430 2.014 10 20 [*********+**-*******] 1
730 1 16 HIS HA 1 17 PRO HA 6.000 5.900 6.100 4.532 4.487 4.595 1.413 16 20 [***************+***-] 1
731 1 18 LYS HA 1 19 PHE HA 6.000 5.900 6.100 4.560 4.515 4.591 1.385 16 20 [**-************+****] 1
732 1 41 THR HB 1 42 LYS HA 6.000 5.900 6.100 4.649 4.580 4.785 1.320 12 20 [***********+***-****] 1
733 1 55 TRP HA 1 58 TYR HA 6.000 5.900 6.100 5.379 5.229 5.563 0.671 13 12 "[* * *- *** +** **2]" 1
734 1 43 LYS HA 1 44 LYS HA 6.000 5.900 6.100 5.014 4.917 5.124 0.983 8 20 [****-**+************] 1
735 1 42 LYS HA 1 43 LYS HA 6.000 5.900 6.100 4.618 4.522 4.708 1.378 10 20 [********-+**********] 1
736 1 50 ASN QB 1 51 PRO QD 6.000 5.900 6.100 2.949 2.547 3.165 3.353 7 20 [******+*****-*******] 1
737 1 35 ASN QB 1 51 PRO QD 6.000 5.900 6.100 2.924 2.545 3.116 3.355 7 20 [******+*****-*******] 1
738 1 13 ARG HA 1 14 ILE HA 6.000 5.900 6.100 4.514 4.474 4.549 1.426 5 20 [**-*+***************] 1
739 1 58 TYR HA 1 61 ARG QB 6.000 5.900 6.100 2.903 2.546 3.260 3.354 15 20 [****-*********+*****] 1
740 1 24 THR HB 1 38 ILE HB 6.000 5.900 6.100 2.032 1.643 2.374 4.257 7 20 [******+********-****] 1
741 1 13 ARG HA 1 14 ILE HB 6.000 5.900 6.100 4.755 4.620 4.929 1.280 9 20 [********+******-****] 1
742 1 24 THR HB 1 38 ILE QG 6.000 5.900 6.100 3.580 2.967 4.178 2.933 8 20 [*******+*******-****] 1
743 1 17 PRO HA 1 20 ILE MG 6.000 5.900 6.100 3.274 2.891 3.670 3.009 20 20 [*******-***********+] 1
744 1 51 PRO HA 1 57 LYS QG 6.000 5.900 6.100 4.257 3.563 5.267 2.337 8 20 [*******+***-********] 1
745 1 51 PRO QB 1 52 LYS HA 6.000 5.900 6.100 4.107 3.929 4.344 1.971 5 20 [****+******-********] 1
746 1 28 ALA HA 1 32 CYS QB 6.000 5.900 6.100 3.262 1.916 4.233 3.984 15 20 [***********-**+*****] 1
747 1 52 LYS HA 1 57 LYS QE 6.000 5.900 6.100 3.296 2.546 4.258 3.354 18 20 [***************-*+**] 1
748 1 16 HIS QB 1 17 PRO QD 6.000 5.900 6.100 1.763 1.523 2.114 4.377 4 20 [***+***********-****] 1
749 1 59 ILE HA 1 62 LEU HA 6.000 5.900 6.100 5.606 5.157 5.875 0.743 18 2 "[ .- 1 . + 2]" 1
750 1 58 TYR HA 1 61 ARG HA 6.000 5.900 6.100 5.700 5.295 6.063 0.605 15 3 "[ . - * + 2]" 1
751 1 17 PRO HA 1 20 ILE HA 6.000 5.900 6.100 4.757 4.390 5.100 1.510 19 20 [*******-**********+*] 1
752 1 28 ALA HA 1 29 ASN HA 6.000 5.900 6.100 4.369 4.192 4.637 1.708 18 20 [*-***************+**] 1
753 1 28 ALA HA 1 33 ASP HA 6.000 5.900 6.100 3.415 2.937 3.934 2.963 9 20 [*-******+***********] 1
754 1 28 ALA HA 1 34 ILE HA 6.000 5.900 6.100 4.547 3.567 5.448 2.333 18 19 [*-************.**+**] 1
755 1 16 HIS HA 1 17 PRO QD 6.000 5.900 6.100 2.192 1.991 2.317 3.909 16 20 [***-***********+****] 1
756 1 2 SER QB 1 32 CYS HA 6.000 5.900 6.100 4.544 3.177 5.038 2.723 11 20 [***-******+*********] 1
757 1 28 ALA HA 1 35 ASN HA 6.000 5.900 6.100 4.421 3.908 5.018 1.992 13 20 [************+*-*****] 1
758 1 10 TYR HA 1 48 CYS QB 6.000 5.900 6.100 2.041 1.818 2.450 4.082 1 20 [+****************-**] 1
759 1 45 LEU HA 1 46 SER QB 6.000 5.900 6.100 4.507 4.412 4.652 1.488 12 20 [******-****+********] 1
760 1 10 TYR QB 1 49 ALA HA 6.000 5.900 6.100 4.124 3.573 4.350 2.327 16 20 [***************+***-] 1
761 1 54 THR HB 1 55 TRP HA 6.000 5.900 6.100 4.164 3.916 4.300 1.984 13 20 [************+*-*****] 1
762 1 53 GLN HA 1 54 THR HB 6.000 5.900 6.100 5.660 5.577 5.813 0.323 7 0 "[ . 1 . 2]" 1
763 1 54 THR HB 1 58 TYR HA 6.000 5.900 6.100 6.029 5.852 6.120 0.048 9 0 "[ . 1 . 2]" 1
764 1 57 LYS HA 1 58 TYR HA 6.000 5.900 6.100 4.759 4.719 4.800 1.181 9 20 [-*******+***********] 1
765 1 54 THR HA 1 57 LYS QE 6.000 5.900 6.100 3.587 3.087 4.417 2.813 1 20 [+**************-****] 1
766 1 9 GLY QA 1 10 TYR QB 6.000 5.900 6.100 4.261 4.115 4.536 1.785 19 20 [*-****************+*] 1
767 1 7 CYS QB 1 48 CYS QB 6.000 5.900 6.100 2.359 2.023 2.662 3.877 15 20 [********-*****+*****] 1
768 1 6 CYS QB 1 32 CYS QB 6.000 5.900 6.100 2.117 1.533 3.302 4.367 12 20 [***********+*******-] 1
769 1 39 PHE QB 1 47 VAL HB 6.000 5.900 6.100 2.478 2.195 2.826 3.705 15 20 [****-*********+*****] 1
770 1 55 TRP QB 1 59 ILE QG 6.000 5.900 6.100 3.943 3.844 4.073 2.056 19 20 [******************+-] 1
771 1 54 THR HA 1 57 LYS QB 6.000 5.900 6.100 2.206 2.031 2.580 3.869 10 20 [*********+**-*******] 1
772 1 59 ILE HA 1 62 LEU QB 6.000 5.900 6.100 2.888 2.425 3.193 3.475 18 20 [*********-*******+**] 1
773 1 59 ILE HA 1 62 LEU HG 6.000 5.900 6.100 4.504 3.061 5.836 2.839 6 18 [*****+******-*.****2] 1
774 1 39 PHE QB 1 41 THR MG 6.000 5.900 6.100 3.424 3.162 3.727 2.738 3 20 [**+***************-*] 1
775 1 50 ASN QB 1 51 PRO QG 6.000 5.900 6.100 4.614 4.077 4.824 1.823 4 20 [***+********-*******] 1
776 1 54 THR HB 1 57 LYS QG 6.000 5.900 6.100 4.862 3.734 5.081 2.166 15 20 [*************-+*****] 1
777 1 54 THR HB 1 57 LYS HD3 6.000 5.900 6.100 5.965 5.499 6.537 0.437 18 0 "[ . 1 . 2]" 1
778 1 36 ALA MB 1 48 CYS QB 6.000 5.900 6.100 2.364 1.978 2.730 3.922 19 20 [**************-***+*] 1
779 1 19 PHE QB 1 41 THR MG 6.000 5.900 6.100 2.716 2.225 3.045 3.675 12 20 [***********+*-******] 1
780 1 36 ALA MB 1 48 CYS QB 6.000 5.900 6.100 2.591 2.014 3.019 3.886 19 20 [******-***********+*] 1
781 1 54 THR MG 1 58 TYR QB 6.000 5.900 6.100 4.492 4.264 4.626 1.636 5 20 [****+*-*************] 1
782 1 13 ARG QD 1 47 VAL QG 6.000 5.900 6.100 4.106 3.012 5.180 2.888 9 20 [****-***+***********] 1
783 1 21 VAL QG 1 40 HIS QB 6.000 5.900 6.100 3.000 2.578 3.203 3.322 20 20 [******************-+] 1
784 1 25 ARG QD 1 27 LEU QD 6.000 5.900 6.100 2.610 1.741 3.665 4.159 6 20 [*****+***********-**] 1
785 1 55 TRP QB 1 59 ILE MD 6.000 5.900 6.100 3.589 3.447 3.720 2.453 19 20 [***************-**+*] 1
786 1 25 ARG QD 1 37 ILE MD 6.000 5.900 6.100 3.902 2.429 5.065 3.471 11 20 [*******-**+*********] 1
787 1 38 ILE MG 1 46 SER QB 6.000 5.900 6.100 1.958 1.783 2.214 4.117 10 20 [*********+*****-****] 1
788 1 57 LYS HA 1 60 VAL QG 6.000 5.900 6.100 1.899 1.772 2.182 4.128 11 20 [******-***+*********] 1
789 1 9 GLY QA 1 34 ILE MD 6.000 5.900 6.100 4.412 3.362 5.000 2.538 9 20 [********+*****-*****] 1
790 1 14 ILE MG 1 55 TRP QB 6.000 5.900 6.100 2.559 1.927 2.997 3.973 16 20 [*******-*******+****] 1
791 1 23 PHE QB 1 37 ILE MG 6.000 5.900 6.100 3.741 3.573 3.886 2.327 14 20 [*************+*-****] 1
792 1 23 PHE QB 1 37 ILE MG 6.000 5.900 6.100 4.205 3.988 4.468 1.912 4 20 [***+**************-*] 1
793 1 20 ILE MD 1 39 PHE QB 6.000 5.900 6.100 2.397 1.916 2.704 3.984 14 20 [***-*********+******] 1
794 1 6 CYS QB 1 34 ILE MD 6.000 5.900 6.100 2.957 2.424 3.928 3.476 16 20 [-**************+****] 1
795 1 37 ILE MD 1 60 VAL HA 6.000 5.900 6.100 5.201 4.771 5.634 1.129 4 14 "[***+.*** 1**-*. ** *]" 1
796 1 56 VAL HA 1 59 ILE MG 6.000 5.900 6.100 4.353 4.237 4.467 1.663 13 20 [-***********+*******] 1
797 1 59 ILE MG 1 60 VAL HA 6.000 5.900 6.100 3.373 3.208 3.497 2.692 13 20 [*******-****+*******] 1
798 1 56 VAL HA 1 59 ILE MD 6.000 5.900 6.100 3.000 2.497 3.175 3.403 16 20 [*****-*********+****] 1
799 1 33 ASP QB 1 34 ILE MG 6.000 5.900 6.100 3.107 2.620 3.859 3.280 5 20 [****+**********-****] 1
800 1 15 LEU QD 1 39 PHE QB 6.000 5.900 6.100 4.071 3.416 4.437 2.484 6 20 [*****+********-*****] 1
801 1 20 ILE QG 1 39 PHE QB 6.000 5.900 6.100 1.826 1.527 2.322 4.373 10 20 [*********+***-******] 1
802 1 20 ILE MG 1 39 PHE QB 6.000 5.900 6.100 3.287 2.726 4.148 3.174 10 20 [*********+*********-] 1
803 1 28 ALA MB 1 35 ASN QB 6.000 5.900 6.100 2.885 1.981 4.353 3.919 4 20 [*-*+****************] 1
804 1 39 PHE QB 1 47 VAL QG 6.000 5.900 6.100 3.160 2.868 3.443 3.032 6 20 [*****+************-*] 1
805 1 49 ALA MB 1 56 VAL HA 6.000 5.900 6.100 3.803 3.574 4.045 2.326 14 20 [************-+******] 1
806 1 35 ASN QB 1 51 PRO QG 6.000 5.900 6.100 3.339 2.352 3.786 3.548 5 20 [****+*-*************] 1
807 1 35 ASN QB 1 51 PRO QG 6.000 5.900 6.100 3.469 2.358 4.188 3.542 5 20 [****+*-*************] 1
808 1 35 ASN QB 1 51 PRO QB 6.000 5.900 6.100 3.773 3.298 4.051 2.602 5 20 [****+****-**********] 1
809 1 23 PHE QB 1 63 LEU QB 6.000 5.900 6.100 2.026 1.819 2.283 4.081 16 20 [******-********+****] 1
810 1 56 VAL HA 1 59 ILE QG 6.000 5.900 6.100 3.552 2.730 3.829 3.170 16 20 [-**************+****] 1
811 1 50 ASN QB 1 53 GLN QG 6.000 5.900 6.100 1.862 1.679 2.371 4.221 4 20 [***+**-*************] 1
812 1 23 PHE QB 1 24 THR HA 6.000 5.900 6.100 3.999 3.362 4.359 2.538 5 20 [****+**********-****] 1
813 1 29 ASN QB 1 30 GLU HA 6.000 5.900 6.100 4.087 3.673 4.520 2.227 3 20 [-*+*****************] 1
814 1 7 CYS QB 1 48 CYS HA 6.000 5.900 6.100 4.025 3.364 4.593 2.536 1 20 [+********-**********] 1
815 1 6 CYS QB 1 32 CYS HA 6.000 5.900 6.100 4.524 4.117 4.967 1.783 9 20 [********+**********-] 1
816 1 32 CYS HA 1 33 ASP QB 6.000 5.900 6.100 4.354 3.925 4.921 1.975 6 20 [*****+*******-******] 1
817 1 39 PHE HA 1 40 HIS QB 6.000 5.900 6.100 4.502 4.449 4.558 1.451 1 20 [+**************-****] 1
818 1 55 TRP QB 1 56 VAL H 6.000 5.900 6.100 3.495 3.444 3.600 2.456 15 20 [************-*+*****] 1
819 1 27 LEU QB 1 30 GLU QG 6.000 5.900 6.100 2.872 1.841 4.107 4.059 11 20 [**********+**-******] 1
820 1 26 GLN QG 1 36 ALA MB 6.000 5.900 6.100 3.709 2.378 4.375 3.522 12 20 [-**********+********] 1
821 1 17 PRO QB 1 59 ILE MD 6.000 5.900 6.100 4.362 3.904 5.040 1.996 14 20 [*************+*-****] 1
822 1 17 PRO QB 1 59 ILE MG 6.000 5.900 6.100 3.459 2.581 4.529 3.319 19 20 [******************+-] 1
823 1 26 GLN QB 1 36 ALA MB 6.000 5.900 6.100 3.071 2.367 4.366 3.533 5 20 [**-*+***************] 1
824 1 24 THR MG 1 38 ILE HB 6.000 5.900 6.100 3.489 3.286 3.688 2.614 7 20 [******+********-****] 1
825 1 15 LEU QD 1 47 VAL HB 6.000 5.900 6.100 3.693 3.165 4.095 2.735 6 20 [*****+********-*****] 1
826 1 37 ILE QG 1 51 PRO QB 6.000 5.900 6.100 3.051 2.580 3.917 3.320 12 20 [******-****+********] 1
827 1 20 ILE HB 1 59 ILE MG 6.000 5.900 6.100 3.440 3.147 3.713 2.753 9 20 [******-*+***********] 1
828 1 37 ILE MD 1 51 PRO QB 6.000 5.900 6.100 3.276 2.703 4.341 3.197 11 20 [******-***+*********] 1
829 1 51 PRO QB 1 56 VAL QG 6.000 5.900 6.100 3.933 3.604 4.237 2.296 18 20 [***************-*+**] 1
830 1 11 THR MG 1 47 VAL QG 6.000 5.900 6.100 2.033 1.627 2.598 4.273 6 20 [*****+**-***********] 1
831 1 15 LEU HG 1 41 THR MG 6.000 5.900 6.100 2.286 1.840 2.978 4.060 16 20 [********-******+****] 1
832 1 15 LEU HG 1 20 ILE QG 6.000 5.900 6.100 2.374 1.850 3.225 4.050 16 20 [********-******+****] 1
833 1 17 PRO QG 1 59 ILE MG 6.000 5.900 6.100 2.888 2.536 3.098 3.364 16 20 [******-********+****] 1
834 1 59 ILE MG 1 62 LEU QB 6.000 5.900 6.100 3.642 3.215 3.913 2.685 18 20 [***************-*+**] 1
835 1 25 ARG QB 1 37 ILE MD 6.000 5.900 6.100 2.371 2.105 2.704 3.795 15 20 [**********-***+*****] 1
836 1 37 ILE MD 1 51 PRO QG 6.000 5.900 6.100 3.347 2.513 4.859 3.387 11 20 [******-***+*********] 1
837 1 15 LEU HG 1 20 ILE MD 6.000 5.900 6.100 3.994 2.836 5.076 3.064 13 20 [********-***+*******] 1
838 1 37 ILE MG 1 56 VAL HB 6.000 5.900 6.100 5.066 3.434 5.739 2.466 13 17 "[ ***** *****+ **-***]" 1
839 1 25 ARG QB 1 37 ILE MG 6.000 5.900 6.100 3.342 2.739 3.745 3.161 11 20 [*-********+*********] 1
840 1 36 ALA MB 1 38 ILE QG 6.000 5.900 6.100 3.425 2.983 3.836 2.917 11 20 [***-******+*********] 1
841 1 37 ILE HB 1 49 ALA MB 6.000 5.900 6.100 1.783 1.277 2.182 4.623 7 20 [******+**********-**] 1
842 1 15 LEU QD 1 47 VAL QG 6.000 5.900 6.100 2.003 1.525 2.248 4.375 6 20 [***-*+**************] 1
843 1 37 ILE QG 1 49 ALA MB 6.000 5.900 6.100 3.393 2.965 3.755 2.935 7 20 [******+**********-**] 1
844 1 15 LEU QD 1 41 THR MG 6.000 5.900 6.100 1.981 1.497 2.228 4.403 6 20 [***-*+**************] 1
845 1 20 ILE MG 1 59 ILE MG 6.000 5.900 6.100 2.745 2.406 3.086 3.494 9 20 [********+****-******] 1
846 1 15 LEU QB 1 20 ILE MD 6.000 5.900 6.100 2.553 2.050 3.205 3.850 13 20 [************+-******] 1
847 1 49 ALA MB 1 56 VAL QG 6.000 5.900 6.100 1.679 1.578 1.820 4.322 19 20 [************-*****+*] 1
848 1 20 ILE MD 1 41 THR MG 6.000 5.900 6.100 3.003 1.909 3.988 3.991 14 20 [*******-*****+******] 1
849 1 37 ILE HB 1 56 VAL QG 6.000 5.900 6.100 2.785 2.653 3.063 3.247 1 20 [+*****-*************] 1
850 1 34 ILE MD 1 36 ALA MB 6.000 5.900 6.100 3.367 2.572 4.002 3.328 9 20 [********+**********-] 1
851 1 15 LEU QD 1 20 ILE MD 6.000 5.900 6.100 3.637 2.869 4.099 3.031 6 20 [**-**+**************] 1
852 1 37 ILE MG 1 49 ALA MB 6.000 5.900 6.100 2.435 2.136 2.774 3.764 2 20 [*+****************-*] 1
853 1 20 ILE QG 1 59 ILE MG 6.000 5.900 6.100 2.983 1.989 3.857 3.911 20 20 [***************-***+] 1
854 1 20 ILE MD 1 59 ILE MD 6.000 5.900 6.100 2.634 1.729 4.238 4.171 3 20 [**+**********-******] 1
855 1 59 ILE MG 1 60 VAL QG 6.000 5.900 6.100 4.220 4.098 4.309 1.802 13 20 [*******-****+*******] 1
856 1 20 ILE MD 1 59 ILE MG 6.000 5.900 6.100 2.956 1.633 4.304 4.267 18 20 [*************-***+**] 1
857 1 37 ILE MD 1 60 VAL QG 6.000 5.900 6.100 2.556 2.110 2.881 3.790 8 20 [*******+-***********] 1
858 1 37 ILE MG 1 59 ILE MG 6.000 5.900 6.100 4.484 4.372 4.622 1.528 11 20 [**********+****-****] 1
859 1 37 ILE MG 1 60 VAL QG 6.000 5.900 6.100 2.920 2.443 3.163 3.457 19 20 [***************-**+*] 1
860 1 37 ILE MG 1 56 VAL QG 6.000 5.900 6.100 2.437 2.094 3.002 3.806 20 20 [******-************+] 1
861 1 37 ILE MD 1 56 VAL QG 6.000 5.900 6.100 3.497 3.166 4.135 2.734 16 20 [************-**+****] 1
862 1 56 VAL QG 1 59 ILE MG 6.000 5.900 6.100 4.336 4.129 4.489 1.771 16 20 [-**************+****] 1
863 1 24 THR H 1 40 HIS H 6.000 5.900 6.100 4.379 4.237 4.629 1.663 16 20 [*************-*+****] 1
864 1 25 ARG H 1 38 ILE H 6.000 5.900 6.100 4.692 4.470 4.868 1.430 15 20 [********-*****+*****] 1
865 1 7 CYS H 1 34 ILE MD 6.000 5.900 6.100 3.953 2.471 4.970 3.429 14 20 [-************+******] 1
866 1 61 ARG HA 1 65 LYS H 6.000 5.900 6.100 4.732 3.210 6.026 2.690 4 15 "[**-+* ****** *** *]" 1
867 1 52 LYS H 1 53 GLN QG 6.000 5.900 6.100 2.905 2.459 3.487 3.441 3 20 [**+***-*************] 1
868 1 20 ILE QG 1 55 TRP HZ3 6.000 5.900 6.100 4.336 3.860 4.978 2.040 6 20 [*****+*********-****] 1
869 1 14 ILE H 1 15 LEU H 6.000 5.900 6.100 3.716 3.530 3.884 2.370 19 20 [**********-*******+*] 1
870 1 54 THR HB 1 57 LYS H 6.000 5.900 6.100 4.867 4.409 5.053 1.491 15 20 [************-*+*****] 1
871 1 59 ILE HB 1 62 LEU H 6.000 5.900 6.100 2.607 2.415 2.784 3.485 20 20 [*************-*****+] 1
872 1 61 ARG HA 1 64 SER QB 6.000 5.900 6.100 3.275 2.725 4.128 3.175 20 20 [*********-*********+] 1
873 1 25 ARG HA 1 26 GLN H 6.000 5.900 6.100 2.133 2.067 2.218 3.833 8 20 [*******+***-********] 1
874 1 29 ASN H 1 33 ASP HA 6.000 5.900 6.100 5.685 4.952 6.114 0.948 9 5 "[ . +1 - .* * *]" 1
875 1 17 PRO HA 1 20 ILE H 6.000 5.900 6.100 2.852 2.655 3.137 3.245 19 20 [*******-**********+*] 1
876 1 36 ALA H 1 37 ILE MD 6.000 5.900 6.100 4.597 4.136 5.004 1.764 11 20 [*-********+*********] 1
877 1 27 LEU QB 1 36 ALA H 6.000 5.900 6.100 5.960 5.607 6.115 0.293 15 0 "[ . 1 . 2]" 1
878 1 36 ALA H 1 51 PRO QG 6.000 5.900 6.100 4.388 3.776 4.836 2.124 18 20 [*-***************+**] 1
879 1 24 THR H 1 37 ILE MG 6.000 5.900 6.100 4.002 3.709 4.216 2.191 18 20 [*******-*********+**] 1
880 1 23 PHE H 1 63 LEU QD 6.000 5.900 6.100 3.816 2.855 4.586 3.045 20 20 [*********-*********+] 1
881 1 34 ILE QG 1 35 ASN H 6.000 5.900 6.100 2.888 2.337 4.116 3.563 17 20 [****************+**-] 1
882 1 22 GLY QA 1 23 PHE H 6.000 5.900 6.100 2.238 2.189 2.283 3.711 16 20 [**-************+****] 1
883 1 59 ILE HB 1 60 VAL QG 6.000 5.900 6.100 3.153 3.014 3.619 2.886 8 20 [-******+************] 1
884 1 19 PHE QB 1 20 ILE MD 6.000 5.900 6.100 3.212 2.316 4.047 3.584 9 20 [*******-+***********] 1
885 1 52 LYS QB 1 53 GLN QE 6.000 5.900 6.100 5.183 4.834 5.535 1.066 7 18 "[*****-+***** *.*****]" 1
886 1 10 TYR QD 1 51 PRO QD 6.000 5.900 6.100 2.563 2.202 2.924 3.698 15 20 [********-*****+*****] 1
887 1 42 LYS QG 1 43 LYS H 6.000 5.900 6.100 3.356 2.409 3.933 3.491 1 20 [+***************-***] 1
888 1 13 ARG QG 1 14 ILE H 6.000 5.900 6.100 3.756 2.702 4.259 3.198 7 20 [****-*+*************] 1
889 1 20 ILE MD 1 39 PHE QD 6.000 5.900 6.100 3.135 2.707 3.650 3.193 4 20 [***+**************-*] 1
890 1 23 PHE QE 1 60 VAL QG 6.000 5.900 6.100 2.272 1.883 2.642 4.017 14 20 [*************+*-****] 1
891 1 27 LEU HA 1 28 ALA MB 6.000 5.900 6.100 3.978 3.881 4.063 2.019 14 20 [****-********+******] 1
892 1 10 TYR HA 1 49 ALA MB 6.000 5.900 6.100 6.008 5.810 6.142 0.090 18 0 "[ . 1 . 2]" 1
893 1 48 CYS HA 1 49 ALA MB 6.000 5.900 6.100 4.028 3.947 4.105 1.953 5 20 [****+**************-] 1
894 1 36 ALA MB 1 48 CYS HA 6.000 5.900 6.100 3.344 2.988 3.657 2.912 14 20 [******-******+******] 1
895 1 10 TYR HA 1 36 ALA MB 6.000 5.900 6.100 4.191 3.746 4.707 2.154 14 20 [****-********+******] 1
896 1 16 HIS HA 1 17 PRO QG 6.000 5.900 6.100 4.086 3.900 4.201 2.000 16 20 [***-***********+****] 1
897 1 25 ARG HA 1 37 ILE MG 6.000 5.900 6.100 3.288 2.779 3.665 3.121 19 20 [*****-************+*] 1
898 1 37 ILE MG 1 39 PHE HA 6.000 5.900 6.100 4.029 3.640 4.424 2.260 4 20 [***+**************-*] 1
899 1 38 ILE MG 1 48 CYS HA 6.000 5.900 6.100 3.984 3.402 4.431 2.498 19 20 [***-**************+*] 1
900 1 14 ILE MG 1 16 HIS HA 6.000 5.900 6.100 4.607 3.945 4.923 1.955 16 20 [********-******+****] 1
901 1 7 CYS HA 1 8 LEU QD 6.000 5.900 6.100 4.153 3.261 4.404 2.639 8 20 [*******+******-*****] 1
902 1 7 CYS QB 1 36 ALA MB 6.000 5.900 6.100 2.438 1.978 3.068 3.922 4 20 [***+***********-****] 1
903 1 15 LEU HG 1 59 ILE MD 6.000 5.900 6.100 5.475 4.968 5.828 0.932 13 7 "[- . * 1 *+ ** *]" 1
904 1 14 ILE MG 1 59 ILE MD 6.000 5.900 6.100 4.557 3.502 4.916 2.398 16 20 [*****-*********+****] 1
905 1 14 ILE HB 1 15 LEU H 6.000 5.900 6.100 4.502 4.462 4.556 1.438 10 20 [*******-*+**********] 1
906 1 15 LEU H 1 55 TRP HE3 6.000 5.900 6.100 3.568 3.187 3.866 2.713 9 20 [*-******+***********] 1
907 1 68 LYS H 1 69 ASN H 6.000 5.900 6.100 3.474 2.047 4.365 3.853 14 20 [*************+****-*] 1
908 1 47 VAL H 1 48 CYS H 6.000 5.900 6.100 4.502 4.406 4.563 1.494 14 20 [**-**********+******] 1
909 1 19 PHE H 1 20 ILE H 6.000 5.900 6.100 2.011 1.888 2.171 4.012 12 20 [***********+*-******] 1
910 1 16 HIS H 1 18 LYS H 6.000 5.900 6.100 4.337 4.014 4.681 1.886 9 20 [********+******-****] 1
911 1 40 HIS HA 1 46 SER H 6.000 5.900 6.100 4.697 4.340 5.014 1.560 19 20 [*************-****+*] 1
912 1 20 ILE H 1 21 VAL H 6.000 5.900 6.100 4.412 4.293 4.473 1.607 10 20 [**-******+**********] 1
913 1 26 GLN H 1 38 ILE H 6.000 5.900 6.100 3.188 2.686 3.813 3.214 19 20 [******-***********+*] 1
914 1 23 PHE HA 1 25 ARG H 6.000 5.900 6.100 5.720 5.448 6.087 0.452 15 0 "[ . 1 . 2]" 1
915 1 60 VAL H 1 61 ARG HA 6.000 5.900 6.100 4.119 3.547 4.304 2.353 4 20 [***+***************-] 1
916 1 26 GLN QG 1 32 CYS QB 6.000 5.900 6.100 3.926 3.049 4.544 2.851 15 20 [******-*******+*****] 1
917 1 31 GLY H 1 33 ASP HA 6.000 5.900 6.100 5.764 5.394 6.130 0.506 13 1 "[ . 1 + . 2]" 1
918 1 23 PHE QB 1 39 PHE HZ 6.000 5.900 6.100 3.303 3.048 3.451 2.852 7 20 [******+*******-*****] 1
919 1 7 CYS HA 1 8 LEU QB 6.000 5.900 6.100 4.459 4.269 4.630 1.631 8 20 [*******+-***********] 1
920 1 28 ALA MB 1 34 ILE HA 6.000 5.900 6.100 2.875 2.334 3.495 3.566 3 20 [**+********-********] 1
921 1 28 ALA MB 1 33 ASP HA 6.000 5.900 6.100 2.727 2.233 3.697 3.667 20 20 [*****************-*+] 1
922 1 28 ALA MB 1 29 ASN HA 6.000 5.900 6.100 4.086 3.622 4.264 2.278 5 20 [****+***-***********] 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 31
_Distance_constraint_stats_list.Viol_count 78
_Distance_constraint_stats_list.Viol_total 72.229
_Distance_constraint_stats_list.Viol_max 0.140
_Distance_constraint_stats_list.Viol_rms 0.0188
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0463
_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 17 PRO 0.962 0.113 10 0 "[ . 1 . 2]"
1 20 ILE 0.962 0.113 10 0 "[ . 1 . 2]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.437 0.092 6 0 "[ . 1 . 2]"
1 24 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLN 1.120 0.140 14 0 "[ . 1 . 2]"
1 36 ALA 1.120 0.140 14 0 "[ . 1 . 2]"
1 37 ILE 0.020 0.020 13 0 "[ . 1 . 2]"
1 38 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 HIS 0.437 0.092 6 0 "[ . 1 . 2]"
1 47 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.020 0.020 13 0 "[ . 1 . 2]"
1 55 TRP 0.037 0.037 16 0 "[ . 1 . 2]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LYS 0.554 0.079 9 0 "[ . 1 . 2]"
1 58 TYR 0.328 0.082 15 0 "[ . 1 . 2]"
1 59 ILE 0.037 0.037 16 0 "[ . 1 . 2]"
1 60 VAL 0.152 0.058 18 0 "[ . 1 . 2]"
1 61 ARG 0.554 0.079 9 0 "[ . 1 . 2]"
1 62 LEU 0.328 0.082 15 0 "[ . 1 . 2]"
1 64 SER 0.152 0.058 18 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 37 ILE O 1 49 ALA N 2.900 2.500 3.300 2.635 2.557 2.702 . 0 0 "[ . 1 . 2]" 2
2 1 37 ILE H 1 49 ALA O 1.950 . 2.300 2.081 1.841 2.320 0.020 13 0 "[ . 1 . 2]" 2
3 1 37 ILE N 1 49 ALA O 2.900 2.500 3.300 2.948 2.781 3.087 . 0 0 "[ . 1 . 2]" 2
4 1 26 GLN O 1 36 ALA H 1.950 . 2.300 2.284 1.802 2.440 0.140 14 0 "[ . 1 . 2]" 2
5 1 26 GLN O 1 36 ALA N 2.900 2.500 3.300 2.985 2.758 3.149 . 0 0 "[ . 1 . 2]" 2
6 1 26 GLN H 1 36 ALA O 1.950 . 2.300 2.051 1.763 2.364 0.064 13 0 "[ . 1 . 2]" 2
7 1 26 GLN N 1 36 ALA O 2.900 2.500 3.300 2.909 2.687 3.140 . 0 0 "[ . 1 . 2]" 2
8 1 39 PHE H 1 47 VAL O 1.950 . 2.300 2.021 1.802 2.234 . 0 0 "[ . 1 . 2]" 2
9 1 39 PHE N 1 47 VAL O 2.900 2.500 3.300 2.890 2.730 3.069 . 0 0 "[ . 1 . 2]" 2
10 1 39 PHE O 1 47 VAL H 1.950 . 2.300 1.793 1.663 2.077 . 0 0 "[ . 1 . 2]" 2
11 1 39 PHE O 1 47 VAL N 2.900 2.500 3.300 2.750 2.636 3.028 . 0 0 "[ . 1 . 2]" 2
12 1 24 THR O 1 38 ILE H 1.950 . 2.300 1.912 1.674 2.124 . 0 0 "[ . 1 . 2]" 2
13 1 24 THR O 1 38 ILE N 2.900 2.500 3.300 2.770 2.597 2.944 . 0 0 "[ . 1 . 2]" 2
14 1 24 THR H 1 38 ILE O 1.950 . 2.300 1.764 1.653 1.846 . 0 0 "[ . 1 . 2]" 2
15 1 24 THR N 1 38 ILE O 2.900 2.500 3.300 2.704 2.614 2.800 . 0 0 "[ . 1 . 2]" 2
16 1 56 VAL O 1 60 VAL H 1.950 . 2.300 1.728 1.647 1.867 . 0 0 "[ . 1 . 2]" 2
17 1 56 VAL O 1 60 VAL N 2.900 2.500 3.300 2.709 2.629 2.828 . 0 0 "[ . 1 . 2]" 2
18 1 57 LYS O 1 61 ARG H 1.950 . 2.300 2.297 2.101 2.379 0.079 9 0 "[ . 1 . 2]" 2
19 1 57 LYS O 1 61 ARG N 2.900 2.500 3.300 3.113 2.860 3.234 . 0 0 "[ . 1 . 2]" 2
20 1 58 TYR O 1 62 LEU H 1.950 . 2.300 2.280 2.129 2.382 0.082 15 0 "[ . 1 . 2]" 2
21 1 58 TYR O 1 62 LEU N 2.900 2.500 3.300 3.165 3.015 3.319 0.019 20 0 "[ . 1 . 2]" 2
22 1 60 VAL O 1 64 SER H 1.950 . 2.300 2.018 1.711 2.358 0.058 18 0 "[ . 1 . 2]" 2
23 1 60 VAL O 1 64 SER N 2.900 2.500 3.300 2.799 2.624 3.010 . 0 0 "[ . 1 . 2]" 2
24 1 55 TRP O 1 59 ILE H 1.950 . 2.300 2.180 2.090 2.337 0.037 16 0 "[ . 1 . 2]" 2
25 1 55 TRP O 1 59 ILE N 2.900 2.500 3.300 3.129 3.022 3.273 . 0 0 "[ . 1 . 2]" 2
26 1 22 GLY H 1 40 HIS O 1.950 . 2.300 2.277 2.069 2.392 0.092 6 0 "[ . 1 . 2]" 2
27 1 22 GLY N 1 40 HIS O 2.900 2.500 3.300 3.026 2.916 3.167 . 0 0 "[ . 1 . 2]" 2
28 1 17 PRO O 1 20 ILE H 1.950 . 2.300 2.344 2.222 2.413 0.113 10 0 "[ . 1 . 2]" 2
29 1 17 PRO O 1 20 ILE N 2.900 2.500 3.300 3.220 3.131 3.269 . 0 0 "[ . 1 . 2]" 2
30 1 21 VAL H 1 40 HIS O 1.950 . 2.300 1.975 1.790 2.172 . 0 0 "[ . 1 . 2]" 2
31 1 21 VAL N 1 40 HIS O 2.900 2.500 3.300 2.923 2.770 3.073 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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