NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
538255 |
2lg6   |
17798 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lg6
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 680
_Distance_constraint_stats_list.Viol_count 6621
_Distance_constraint_stats_list.Viol_total 132987.359
_Distance_constraint_stats_list.Viol_max 4.322
_Distance_constraint_stats_list.Viol_rms 1.0897
_Distance_constraint_stats_list.Viol_average_all_restraints 1.9557
_Distance_constraint_stats_list.Viol_average_violations_only 2.0086
_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 LEU 491.596 3.830 3 10 [**+**-****]
1 2 PHE 750.871 4.013 4 10 [***+***-**]
1 3 CYS 780.946 4.202 8 10 [*****-*+**]
1 4 LYS 576.404 3.717 6 10 [*-***+****]
1 5 GLY 604.492 4.128 10 10 [*-*******+]
1 6 GLY 560.568 4.013 4 10 [**-+******]
1 7 SER 744.107 4.013 4 10 [***+******]
1 8 CYS 929.644 4.194 2 10 [*+****-***]
1 9 HIS 1018.389 4.028 6 10 [***-*+****]
1 10 PHE 927.684 4.207 4 10 [***+******]
1 11 GLY 350.657 4.062 3 10 [**+*****-*]
1 12 GLY 240.760 3.798 5 10 [***-+*****]
1 13 CYS 770.523 4.194 2 10 [*+*****-**]
1 14 PRO 909.738 4.207 4 10 [***+**-***]
1 15 SER 274.686 3.755 6 10 [*****+*-**]
1 16 HIS 598.712 3.755 6 10 [*****+-***]
1 17 LEU 2160.833 4.207 4 10 [-**+******]
1 18 ILE 1404.813 4.128 10 10 [*******-*+]
1 19 LYS 1064.444 4.041 7 10 [**-***+***]
1 20 VAL 1100.201 4.322 2 10 [*+-*******]
1 21 GLY 668.839 4.202 8 10 [*******+**]
1 22 SER 542.150 3.986 9 10 [**-*****+*]
1 23 CYS 730.731 4.187 2 10 [*+*****-**]
1 24 PHE 458.371 4.144 8 10 [*****-*+**]
1 25 GLY 314.874 3.870 5 10 [****+**-**]
1 26 PHE 419.362 4.176 8 10 [*******+**]
1 27 ARG 1449.195 4.207 4 10 [***+*-****]
1 28 SER 862.001 4.041 7 10 [**-***+***]
1 29 CYS 971.208 4.194 2 10 [*+*-******]
1 30 CYS 1137.394 4.073 7 10 [**-***+***]
1 31 ALA 1267.018 4.322 2 10 [*+****-***]
1 32 TRP 1528.891 4.202 8 10 [***-***+**]
1 33 PRO 1371.327 4.202 8 10 [*******+-*]
1 34 TRP 1084.851 3.980 4 10 [***+****-*]
1 35 ASN 473.802 4.096 5 10 [****+*-***]
1 36 ALA 499.808 4.096 5 10 [***-+*****]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LEU HA 1 2 PHE H 6.000 5.900 6.100 2.206 2.173 2.244 3.727 1 10 [+****-****] 1
2 1 1 LEU HA 1 2 PHE HA 6.000 5.900 6.100 4.346 4.322 4.364 1.578 7 10 [-*****+***] 1
3 1 1 LEU HA 1 2 PHE QD 6.000 5.900 6.100 5.847 5.795 5.897 0.105 8 0 "[ . 1]" 1
4 1 1 LEU HA 1 30 CYS H 6.000 5.900 6.100 4.669 4.590 4.841 1.310 2 10 [*+-*******] 1
5 1 1 LEU QB 1 2 PHE HA 6.000 5.900 6.100 4.179 3.901 4.542 1.999 9 10 [-*******+*] 1
6 1 1 LEU QB 1 2 PHE QD 6.000 5.900 6.100 5.529 5.127 6.089 0.773 4 6 "[ * +.**-*1]" 1
7 1 1 LEU QB 1 8 CYS H 6.000 5.900 6.100 3.244 2.650 3.501 3.250 5 10 [****+****-] 1
8 1 1 LEU QB 1 8 CYS HA 6.000 5.900 6.100 4.686 4.448 4.828 1.452 5 10 [****+*-***] 1
9 1 1 LEU QB 1 8 CYS QB 6.000 5.900 6.100 2.315 2.074 2.683 3.826 4 10 [***+-*****] 1
10 1 1 LEU QB 1 8 CYS QB 6.000 5.900 6.100 2.311 2.070 2.671 3.830 4 10 [***+-*****] 1
11 1 1 LEU QB 1 24 PHE H 6.000 5.900 6.100 3.684 2.655 5.208 3.245 3 10 [**+-******] 1
12 1 1 LEU QB 1 2 PHE H 6.000 5.900 6.100 3.692 3.567 3.834 2.333 6 10 [**-**+****] 1
13 1 1 LEU QB 1 3 CYS H 6.000 5.900 6.100 6.012 5.883 6.078 0.017 5 0 "[ . 1]" 1
14 1 1 LEU QB 1 3 CYS QB 6.000 5.900 6.100 4.575 4.396 4.707 1.504 4 10 [***+**-***] 1
15 1 1 LEU QB 1 7 SER HA 6.000 5.900 6.100 4.993 4.507 5.209 1.393 5 10 [****+****-] 1
16 1 1 LEU QB 1 9 HIS H 6.000 5.900 6.100 4.666 4.559 4.756 1.341 8 10 [*******+*-] 1
17 1 1 LEU QD 1 2 PHE H 6.000 5.900 6.100 2.450 2.233 2.714 3.667 10 10 [*******-*+] 1
18 1 1 LEU QD 1 2 PHE QD 6.000 5.900 6.100 4.936 4.523 5.327 1.377 10 10 [*******-*+] 1
19 1 1 LEU QD 1 3 CYS H 6.000 5.900 6.100 4.905 4.175 5.383 1.725 5 10 [****+-****] 1
20 1 1 LEU QD 1 8 CYS H 6.000 5.900 6.100 3.522 2.943 3.827 2.957 5 10 [****+*-***] 1
21 1 1 LEU QD 1 8 CYS QB 6.000 5.900 6.100 2.632 2.070 3.137 3.830 3 10 [**+****-**] 1
22 1 1 LEU QD 1 24 PHE H 6.000 5.900 6.100 3.065 2.456 3.814 3.444 7 10 [******+**-] 1
23 1 1 LEU QD 1 24 PHE QB 6.000 5.900 6.100 2.840 2.073 3.396 3.827 7 10 [***-**+***] 1
24 1 1 LEU QD 1 24 PHE QD 6.000 5.900 6.100 4.245 3.640 4.790 2.260 7 10 [***-**+***] 1
25 1 1 LEU QD 1 26 PHE QE 6.000 5.900 6.100 6.805 6.336 7.070 0.970 10 8 "[* **** -*+]" 1
26 1 1 LEU QD 1 27 ARG QD 6.000 5.900 6.100 4.686 4.506 5.127 1.394 8 10 [*******+*-] 1
27 1 1 LEU QD 1 27 ARG HE 6.000 5.900 6.100 4.892 4.484 5.219 1.416 7 10 [******+-**] 1
28 1 2 PHE H 1 3 CYS H 6.000 5.900 6.100 4.546 4.526 4.576 1.374 9 10 [-*******+*] 1
29 1 2 PHE H 1 7 SER HA 6.000 5.900 6.100 4.646 4.456 4.791 1.444 4 10 [***+*****-] 1
30 1 2 PHE HA 1 3 CYS H 6.000 5.900 6.100 2.177 2.137 2.208 3.763 5 10 [****+-****] 1
31 1 2 PHE HA 1 4 LYS QE 6.000 5.900 6.100 2.908 2.697 3.159 3.203 9 10 [*-******+*] 1
32 1 2 PHE HA 1 5 GLY QA 6.000 5.900 6.100 2.733 2.586 2.911 3.314 2 10 [*+****-***] 1
33 1 2 PHE HA 1 6 GLY QA 6.000 5.900 6.100 2.120 1.887 2.265 4.013 4 10 [***+**-***] 1
34 1 2 PHE QB 1 3 CYS H 6.000 5.900 6.100 3.145 3.104 3.188 2.796 6 10 [****-+****] 1
35 1 2 PHE QB 1 3 CYS HA 6.000 5.900 6.100 4.158 4.132 4.203 1.768 7 10 [******+-**] 1
36 1 2 PHE QB 1 4 LYS H 6.000 5.900 6.100 5.453 5.371 5.569 0.529 6 1 "[ .+ 1]" 1
37 1 2 PHE QB 1 4 LYS QG 6.000 5.900 6.100 5.247 5.185 5.309 0.715 9 10 [******-*+*] 1
38 1 2 PHE QB 1 5 GLY H 6.000 5.900 6.100 5.627 5.554 5.659 0.346 7 0 "[ . 1]" 1
39 1 2 PHE QB 1 7 SER HA 6.000 5.900 6.100 4.164 4.108 4.275 1.792 6 10 [*****+-***] 1
40 1 2 PHE QR 1 7 SER QB 6.000 5.900 6.100 4.328 4.137 4.661 1.763 3 10 [**+***-***] 1
41 1 2 PHE QD 1 3 CYS H 6.000 5.900 6.100 2.371 2.282 2.602 3.618 2 10 [*+-*******] 1
42 1 2 PHE QD 1 3 CYS HA 6.000 5.900 6.100 3.225 3.130 3.352 2.770 7 10 [**-***+***] 1
43 1 2 PHE QD 1 3 CYS QB 6.000 5.900 6.100 4.259 4.182 4.471 1.718 8 10 [**-****+**] 1
44 1 2 PHE QD 1 4 LYS H 6.000 5.900 6.100 3.819 3.700 3.989 2.200 7 10 [******+-**] 1
45 1 2 PHE QD 1 4 LYS HA 6.000 5.900 6.100 3.653 3.588 3.720 2.312 2 10 [*+-*******] 1
46 1 2 PHE QD 1 4 LYS QB 6.000 5.900 6.100 5.304 5.237 5.374 0.663 2 10 [*+-*******] 1
47 1 2 PHE QD 1 4 LYS QD 6.000 5.900 6.100 6.500 6.350 6.623 0.523 3 1 "[ + . 1]" 1
48 1 2 PHE QD 1 4 LYS QE 6.000 5.900 6.100 4.569 4.219 4.867 1.681 1 10 [+****-****] 1
49 1 2 PHE QD 1 4 LYS QG 6.000 5.900 6.100 4.549 4.459 4.647 1.441 6 10 [*****+*-**] 1
50 1 2 PHE QD 1 5 GLY H 6.000 5.900 6.100 3.602 3.524 3.686 2.376 8 10 [******-+**] 1
51 1 2 PHE QD 1 5 GLY QA 6.000 5.900 6.100 5.352 5.288 5.385 0.612 4 10 [*-*+******] 1
52 1 2 PHE QD 1 7 SER HA 6.000 5.900 6.100 4.023 3.666 4.187 2.234 3 10 [**+-******] 1
53 1 2 PHE QD 1 7 SER QB 6.000 5.900 6.100 4.546 4.327 4.891 1.573 3 10 [**+***-***] 1
54 1 2 PHE QD 1 8 CYS H 6.000 5.900 6.100 5.663 5.423 5.901 0.477 3 0 "[ . 1]" 1
55 1 2 PHE QD 1 20 VAL QG 6.000 5.900 6.100 5.577 5.503 5.745 0.397 2 0 "[ . 1]" 1
56 1 2 PHE QE 1 3 CYS HA 6.000 5.900 6.100 4.638 4.436 4.807 1.464 7 10 [******+-**] 1
57 1 2 PHE QE 1 4 LYS HA 6.000 5.900 6.100 2.816 2.454 3.105 3.446 7 10 [******+-**] 1
58 1 2 PHE QE 1 4 LYS QB 6.000 5.900 6.100 4.726 4.455 4.955 1.445 7 10 [******+-**] 1
59 1 2 PHE QE 1 4 LYS QE 6.000 5.900 6.100 6.714 5.874 7.326 1.226 6 7 "[*-* *+ **]" 1
60 1 2 PHE QE 1 7 SER HA 6.000 5.900 6.100 4.990 4.726 5.238 1.174 3 10 [**+-******] 1
61 1 2 PHE QE 1 20 VAL HB 6.000 5.900 6.100 7.912 7.610 8.172 2.072 8 10 [******-+**] 1
62 1 2 PHE QE 1 20 VAL QG 6.000 5.900 6.100 5.312 5.225 5.394 0.675 7 10 [******+-**] 1
63 1 2 PHE QE 1 31 ALA MB 6.000 5.900 6.100 4.910 4.821 4.974 1.079 7 10 [****-*+***] 1
64 1 2 PHE HZ 1 6 GLY QA 6.000 5.900 6.100 3.291 2.967 3.626 2.933 3 10 [**+-******] 1
65 1 3 CYS H 1 4 LYS H 6.000 5.900 6.100 4.256 4.182 4.345 1.718 7 10 [******+-**] 1
66 1 3 CYS H 1 5 GLY H 6.000 5.900 6.100 4.088 3.972 4.161 1.928 7 10 [******+**-] 1
67 1 3 CYS H 1 5 GLY QA 6.000 5.900 6.100 2.754 2.598 2.873 3.302 3 10 [**+-******] 1
68 1 3 CYS H 1 6 GLY H 6.000 5.900 6.100 3.266 3.168 3.406 2.732 4 10 [***+*-****] 1
69 1 3 CYS H 1 6 GLY QA 6.000 5.900 6.100 3.349 3.187 3.445 2.713 4 10 [***+**-***] 1
70 1 3 CYS H 1 7 SER HA 6.000 5.900 6.100 2.565 2.340 3.023 3.560 8 10 [******-+**] 1
71 1 3 CYS H 1 8 CYS H 6.000 5.900 6.100 4.504 4.338 4.666 1.562 1 10 [+*****-***] 1
72 1 3 CYS HA 1 4 LYS H 6.000 5.900 6.100 2.219 2.183 2.273 3.717 6 10 [***-*+****] 1
73 1 3 CYS HA 1 4 LYS HA 6.000 5.900 6.100 4.302 4.287 4.322 1.613 6 10 [*-***+****] 1
74 1 3 CYS HA 1 4 LYS QB 6.000 5.900 6.100 4.569 4.505 4.637 1.395 7 10 [***-**+***] 1
75 1 3 CYS HA 1 4 LYS QG 6.000 5.900 6.100 3.780 3.625 3.945 2.275 6 10 [*****+-***] 1
76 1 3 CYS HA 1 6 GLY H 6.000 5.900 6.100 4.601 4.421 4.777 1.479 8 10 [**-****+**] 1
77 1 3 CYS HA 1 20 VAL QG 6.000 5.900 6.100 4.125 3.847 4.467 2.053 8 10 [***-***+**] 1
78 1 3 CYS HA 1 29 CYS QB 6.000 5.900 6.100 4.447 4.210 5.170 1.690 7 10 [***-**+***] 1
79 1 3 CYS QB 1 4 LYS H 6.000 5.900 6.100 2.834 2.627 2.974 3.273 8 10 [**-****+**] 1
80 1 3 CYS QB 1 5 GLY H 6.000 5.900 6.100 4.473 4.265 4.607 1.635 8 10 [**-****+**] 1
81 1 3 CYS QB 1 6 GLY H 6.000 5.900 6.100 2.925 2.742 3.113 3.158 8 10 [**-****+**] 1
82 1 3 CYS QB 1 8 CYS H 6.000 5.900 6.100 4.180 3.488 4.506 2.412 4 10 [**-+******] 1
83 1 3 CYS QB 1 30 CYS H 6.000 5.900 6.100 2.735 2.651 2.874 3.249 4 10 [***+****-*] 1
84 1 3 CYS QB 1 9 HIS HD2 6.000 5.900 6.100 3.461 3.417 3.512 2.483 3 10 [**+***-***] 1
85 1 3 CYS QB 1 21 GLY H 6.000 5.900 6.100 1.719 1.698 1.729 4.202 8 10 [*****-*+**] 1
86 1 3 CYS QB 1 23 CYS HA 6.000 5.900 6.100 3.363 3.056 3.541 2.844 4 10 [*-*+******] 1
87 1 3 CYS QB 1 29 CYS HA 6.000 5.900 6.100 3.395 3.077 3.578 2.823 4 10 [*-*+******] 1
88 1 3 CYS QB 1 29 CYS QB 6.000 5.900 6.100 2.596 2.138 3.829 3.762 7 10 [***-**+***] 1
89 1 4 LYS H 1 4 LYS QE 6.000 5.900 6.100 4.628 4.113 5.040 1.787 6 10 [*-***+****] 1
90 1 4 LYS H 1 5 GLY H 6.000 5.900 6.100 4.016 3.999 4.036 1.901 7 10 [******+**-] 1
91 1 4 LYS H 1 6 GLY H 6.000 5.900 6.100 4.547 4.354 4.732 1.546 8 10 [**-****+**] 1
92 1 4 LYS H 1 30 CYS H 6.000 5.900 6.100 3.904 3.523 4.561 2.377 4 10 [**-+******] 1
93 1 4 LYS H 1 20 VAL QG 6.000 5.900 6.100 3.655 3.276 3.827 2.624 8 10 [***-***+**] 1
94 1 4 LYS HA 1 4 LYS QE 6.000 5.900 6.100 4.421 3.702 5.088 2.198 4 10 [***+*-****] 1
95 1 4 LYS HA 1 5 GLY H 6.000 5.900 6.100 2.312 2.271 2.346 3.629 6 10 [*****+-***] 1
96 1 4 LYS HA 1 20 VAL QG 6.000 5.900 6.100 4.478 4.343 4.585 1.557 7 10 [****-*+***] 1
97 1 4 LYS QB 1 5 GLY H 6.000 5.900 6.100 3.771 3.748 3.784 2.152 6 10 [*****+***-] 1
98 1 4 LYS QB 1 5 GLY H 6.000 5.900 6.100 3.813 3.795 3.824 2.105 6 10 [*****+-***] 1
99 1 4 LYS QB 1 6 GLY H 6.000 5.900 6.100 4.921 4.826 4.988 1.074 4 10 [**-+******] 1
100 1 4 LYS QB 1 20 VAL QG 6.000 5.900 6.100 2.968 2.710 3.135 3.190 7 10 [***-**+***] 1
101 1 4 LYS QG 1 5 GLY H 6.000 5.900 6.100 4.458 4.414 4.498 1.486 9 10 [-*******+*] 1
102 1 4 LYS QG 1 5 GLY H 6.000 5.900 6.100 3.502 3.462 3.552 2.438 5 10 [***-+*****] 1
103 1 5 GLY H 1 6 GLY H 6.000 5.900 6.100 2.569 2.388 2.728 3.512 8 10 [**-****+**] 1
104 1 5 GLY H 1 6 GLY QA 6.000 5.900 6.100 4.110 4.045 4.163 1.855 2 10 [*+*-******] 1
105 1 5 GLY QA 1 6 GLY H 6.000 5.900 6.100 2.736 2.680 2.805 3.220 3 10 [**+****-**] 1
106 1 5 GLY QA 1 18 ILE QG 6.000 5.900 6.100 1.826 1.814 1.854 4.086 10 10 [*****-***+] 1
107 1 5 GLY QA 1 18 ILE QG 6.000 5.900 6.100 1.785 1.772 1.809 4.128 10 10 [*****-***+] 1
108 1 5 GLY QA 1 20 VAL QG 6.000 5.900 6.100 3.202 3.120 3.316 2.780 4 10 [***+**-***] 1
109 1 5 GLY QA 1 20 VAL QG 6.000 5.900 6.100 3.186 3.107 3.294 2.793 4 10 [***+**-***] 1
110 1 5 GLY QA 1 32 TRP HD1 6.000 5.900 6.100 4.164 4.045 4.236 1.855 2 10 [*+*******-] 1
111 1 5 GLY QA 1 32 TRP HE1 6.000 5.900 6.100 3.868 3.766 3.994 2.134 2 10 [*+**-*****] 1
112 1 5 GLY QA 1 34 TRP HD1 6.000 5.900 6.100 2.329 2.150 2.575 3.750 8 10 [*-*****+**] 1
113 1 5 GLY QA 1 34 TRP HZ2 6.000 5.900 6.100 2.105 1.968 2.263 3.932 3 10 [**+*-*****] 1
114 1 6 GLY H 1 7 SER H 6.000 5.900 6.100 3.816 3.617 4.059 2.283 4 10 [**-+******] 1
115 1 6 GLY H 1 7 SER HA 6.000 5.900 6.100 4.490 4.369 4.671 1.531 2 10 [*+****-***] 1
116 1 6 GLY H 1 17 LEU QD 6.000 5.900 6.100 4.502 4.343 4.704 1.557 3 10 [**+*-*****] 1
117 1 6 GLY H 1 18 ILE MD 6.000 5.900 6.100 4.307 4.255 4.358 1.645 3 10 [*-+*******] 1
118 1 6 GLY H 1 20 VAL QG 6.000 5.900 6.100 3.562 3.457 3.668 2.443 6 10 [*****+*-**] 1
119 1 6 GLY H 1 31 ALA MB 6.000 5.900 6.100 2.610 2.377 2.791 3.523 7 10 [*-****+***] 1
120 1 6 GLY H 1 32 TRP H 6.000 5.900 6.100 4.063 3.866 4.186 2.034 3 10 [**+*-*****] 1
121 1 6 GLY QA 1 7 SER H 6.000 5.900 6.100 2.128 2.107 2.148 3.793 8 10 [**-****+**] 1
122 1 6 GLY QA 1 7 SER HA 6.000 5.900 6.100 3.977 3.927 4.014 1.973 3 10 [**+-******] 1
123 1 6 GLY QA 1 30 CYS H 6.000 5.900 6.100 4.384 4.281 4.582 1.619 8 10 [**-****+**] 1
124 1 6 GLY QA 1 20 VAL QG 6.000 5.900 6.100 4.394 4.198 4.578 1.702 4 10 [***+**-***] 1
125 1 6 GLY QA 1 23 CYS HA 6.000 5.900 6.100 2.156 1.905 2.324 3.995 4 10 [*-*+******] 1
126 1 6 GLY QA 1 30 CYS H 6.000 5.900 6.100 5.035 4.837 5.253 1.063 8 10 [**-****+**] 1
127 1 6 GLY QA 1 31 ALA MB 6.000 5.900 6.100 3.585 3.435 3.766 2.465 4 10 [*-*+******] 1
128 1 7 SER H 1 8 CYS H 6.000 5.900 6.100 4.416 4.363 4.487 1.537 2 10 [*+-*******] 1
129 1 7 SER H 1 8 CYS HA 6.000 5.900 6.100 4.442 4.233 4.773 1.667 4 10 [**-+******] 1
130 1 7 SER H 1 9 HIS H 6.000 5.900 6.100 4.859 4.530 5.229 1.370 4 10 [***+**-***] 1
131 1 7 SER H 1 9 HIS HD2 6.000 5.900 6.100 4.416 4.018 4.703 1.882 9 10 [**-*****+*] 1
132 1 7 SER H 1 14 PRO QD 6.000 5.900 6.100 4.069 4.020 4.097 1.880 1 10 [+*******-*] 1
133 1 7 SER H 1 17 LEU QD 6.000 5.900 6.100 2.536 2.233 2.786 3.667 10 10 [********-+] 1
134 1 7 SER H 1 20 VAL QG 6.000 5.900 6.100 4.888 4.450 5.394 1.450 4 10 [***+**-***] 1
135 1 7 SER H 1 30 CYS QB 6.000 5.900 6.100 3.082 2.799 3.470 3.101 4 10 [***+**-***] 1
136 1 7 SER H 1 31 ALA MB 6.000 5.900 6.100 4.855 4.582 5.153 1.318 4 10 [**-+******] 1
137 1 7 SER HA 1 8 CYS H 6.000 5.900 6.100 2.403 2.340 2.490 3.560 3 10 [**+****-**] 1
138 1 7 SER HA 1 8 CYS HA 6.000 5.900 6.100 4.344 4.317 4.366 1.583 2 10 [*+*-******] 1
139 1 7 SER HA 1 8 CYS QB 6.000 5.900 6.100 4.039 3.892 4.498 2.008 2 10 [*+*****-**] 1
140 1 7 SER HA 1 9 HIS HD2 6.000 5.900 6.100 5.555 5.260 5.825 0.640 9 2 "[ . -+1]" 1
141 1 7 SER HA 1 30 CYS H 6.000 5.900 6.100 4.371 4.103 4.623 1.797 2 10 [*+****-***] 1
142 1 7 SER HA 1 31 ALA MB 6.000 5.900 6.100 6.033 5.977 6.095 . 0 0 "[ . 1]" 1
143 1 7 SER QB 1 8 CYS H 6.000 5.900 6.100 2.397 2.263 2.500 3.637 4 10 [**-+******] 1
144 1 7 SER QB 1 8 CYS HA 6.000 5.900 6.100 4.305 4.283 4.329 1.617 2 10 [*+**-*****] 1
145 1 7 SER QB 1 9 HIS H 6.000 5.900 6.100 5.331 5.205 5.443 0.695 6 8 "[ * -*+****]" 1
146 1 7 SER QB 1 9 HIS HD2 6.000 5.900 6.100 4.121 3.944 4.435 1.956 9 10 [*-******+*] 1
147 1 7 SER QB 1 9 HIS HE1 6.000 5.900 6.100 3.381 3.047 3.839 2.853 1 10 [+*******-*] 1
148 1 7 SER QB 1 30 CYS QB 6.000 5.900 6.100 2.670 2.576 2.731 3.324 4 10 [**-+******] 1
149 1 8 CYS H 1 9 HIS H 6.000 5.900 6.100 4.509 4.474 4.536 1.426 6 10 [***-*+****] 1
150 1 8 CYS H 1 9 HIS HD2 6.000 5.900 6.100 4.820 4.586 5.070 1.314 9 10 [*-******+*] 1
151 1 8 CYS H 1 30 CYS H 6.000 5.900 6.100 4.188 3.947 4.439 1.953 2 10 [*+*-******] 1
152 1 8 CYS HA 1 9 HIS H 6.000 5.900 6.100 1.900 1.872 1.941 4.028 6 10 [**-**+****] 1
153 1 8 CYS HA 1 9 HIS QB 6.000 5.900 6.100 4.379 4.307 4.421 1.593 9 10 [*-******+*] 1
154 1 8 CYS HA 1 9 HIS HD2 6.000 5.900 6.100 3.171 2.910 3.398 2.990 3 10 [**+-******] 1
155 1 8 CYS HA 1 10 PHE H 6.000 5.900 6.100 6.059 5.938 6.137 0.037 10 0 "[ . 1]" 1
156 1 8 CYS HA 1 10 PHE HA 6.000 5.900 6.100 5.312 5.187 5.458 0.713 8 7 "[ * ***+*-]" 1
157 1 8 CYS HA 1 17 LEU QB 6.000 5.900 6.100 3.411 3.297 3.513 2.603 9 10 [-*******+*] 1
158 1 8 CYS HA 1 19 LYS QD 6.000 5.900 6.100 3.588 3.471 3.713 2.429 10 10 [******-**+] 1
159 1 8 CYS HA 1 23 CYS QB 6.000 5.900 6.100 3.804 3.540 4.167 2.360 1 10 [+******-**] 1
160 1 8 CYS HA 1 27 ARG QD 6.000 5.900 6.100 5.408 5.189 5.593 0.711 6 4 "[ .+-**1]" 1
161 1 8 CYS HA 1 28 SER H 6.000 5.900 6.100 4.847 4.737 4.939 1.163 2 10 [*+-*******] 1
162 1 8 CYS HA 1 28 SER HA 6.000 5.900 6.100 5.231 5.126 5.373 0.774 5 10 [**-*+*****] 1
163 1 8 CYS HA 1 28 SER QB 6.000 5.900 6.100 4.359 4.271 4.435 1.629 5 10 [****+***-*] 1
164 1 8 CYS HA 1 29 CYS H 6.000 5.900 6.100 4.326 4.222 4.425 1.678 5 10 [**-*+*****] 1
165 1 8 CYS HA 1 29 CYS QB 6.000 5.900 6.100 3.834 3.763 3.950 2.137 5 10 [***-+*****] 1
166 1 8 CYS QB 1 9 HIS H 6.000 5.900 6.100 3.163 2.853 3.395 3.047 4 10 [***+*-****] 1
167 1 8 CYS QB 1 9 HIS H 6.000 5.900 6.100 3.086 2.818 3.279 3.082 8 10 [*****-*+**] 1
168 1 8 CYS QB 1 13 CYS HA 6.000 5.900 6.100 1.813 1.706 1.951 4.194 2 10 [*+*****-**] 1
169 1 8 CYS QB 1 17 LEU QB 6.000 5.900 6.100 2.241 2.148 2.328 3.752 9 10 [********+-] 1
170 1 8 CYS QB 1 17 LEU QB 6.000 5.900 6.100 2.227 2.114 2.405 3.786 4 10 [***+**-***] 1
171 1 8 CYS QB 1 23 CYS QB 6.000 5.900 6.100 2.024 1.760 2.669 4.140 5 10 [***-+*****] 1
172 1 8 CYS QB 1 24 PHE H 6.000 5.900 6.100 4.220 4.008 4.478 1.892 1 10 [+**-******] 1
173 1 8 CYS QB 1 27 ARG HA 6.000 5.900 6.100 5.569 5.117 5.806 0.783 8 3 "[ -* + 1]" 1
174 1 8 CYS QB 1 27 ARG QB 6.000 5.900 6.100 3.278 2.732 3.574 3.168 8 10 [**-****+**] 1
175 1 8 CYS QB 1 27 ARG HE 6.000 5.900 6.100 5.400 4.711 5.605 1.189 4 2 "[ +. - 1]" 1
176 1 8 CYS QB 1 28 SER H 6.000 5.900 6.100 4.395 3.906 4.688 1.994 5 10 [****+***-*] 1
177 1 9 HIS H 1 9 HIS HD2 6.000 5.900 6.100 2.992 2.813 3.330 3.087 5 10 [***-+*****] 1
178 1 9 HIS H 1 10 PHE H 6.000 5.900 6.100 4.230 4.045 4.321 1.855 4 10 [***+****-*] 1
179 1 9 HIS H 1 10 PHE HA 6.000 5.900 6.100 3.972 3.856 4.091 2.044 3 10 [*-+*******] 1
180 1 9 HIS H 1 12 GLY H 6.000 5.900 6.100 5.078 4.847 5.313 1.053 2 10 [*+*-******] 1
181 1 9 HIS H 1 23 CYS QB 6.000 5.900 6.100 4.052 3.711 4.372 2.189 1 10 [+******-**] 1
182 1 9 HIS H 1 27 ARG QB 6.000 5.900 6.100 3.657 3.531 3.822 2.369 4 10 [**-+******] 1
183 1 9 HIS H 1 27 ARG QD 6.000 5.900 6.100 4.693 4.530 4.905 1.370 3 10 [*-+*******] 1
184 1 9 HIS H 1 28 SER H 6.000 5.900 6.100 3.284 3.208 3.416 2.692 2 10 [*+**-*****] 1
185 1 9 HIS H 1 28 SER HA 6.000 5.900 6.100 4.828 4.776 4.887 1.124 2 10 [*+*****-**] 1
186 1 9 HIS H 1 28 SER QB 6.000 5.900 6.100 3.542 3.383 4.016 2.517 2 10 [*+******-*] 1
187 1 9 HIS H 1 30 CYS H 6.000 5.900 6.100 3.617 3.449 3.767 2.451 9 10 [***-****+*] 1
188 1 9 HIS HA 1 10 PHE H 6.000 5.900 6.100 2.175 2.143 2.213 3.757 4 10 [***+****-*] 1
189 1 9 HIS HA 1 10 PHE HA 6.000 5.900 6.100 4.324 4.291 4.356 1.609 10 10 [*******-*+] 1
190 1 9 HIS HA 1 10 PHE QB 6.000 5.900 6.100 4.089 4.045 4.135 1.855 7 10 [******+-**] 1
191 1 9 HIS HA 1 10 PHE QD 6.000 5.900 6.100 5.036 5.002 5.085 0.898 10 10 [***-*****+] 1
192 1 9 HIS HA 1 27 ARG QG 6.000 5.900 6.100 4.238 3.982 4.544 1.918 7 10 [******+-**] 1
193 1 9 HIS QB 1 10 PHE H 6.000 5.900 6.100 3.101 2.962 3.292 2.938 10 10 [*******-*+] 1
194 1 9 HIS QB 1 11 GLY H 6.000 5.900 6.100 5.167 5.020 5.316 0.880 2 10 [*+******-*] 1
195 1 9 HIS QB 1 12 GLY H 6.000 5.900 6.100 3.372 3.279 3.438 2.621 1 10 [+*******-*] 1
196 1 9 HIS QB 1 13 CYS HA 6.000 5.900 6.100 2.909 2.697 3.161 3.203 9 10 [*-******+*] 1
197 1 9 HIS QB 1 28 SER H 6.000 5.900 6.100 4.414 4.278 4.528 1.622 9 10 [**-*****+*] 1
198 1 9 HIS QB 1 28 SER QB 6.000 5.900 6.100 3.901 3.668 4.306 2.232 4 10 [***+****-*] 1
199 1 9 HIS HD2 1 10 PHE H 6.000 5.900 6.100 6.081 6.037 6.166 0.066 4 0 "[ . 1]" 1
200 1 9 HIS HD2 1 10 PHE HA 6.000 5.900 6.100 6.002 5.925 6.036 . 0 0 "[ . 1]" 1
201 1 9 HIS HD2 1 13 CYS QB 6.000 5.900 6.100 4.196 4.031 4.275 1.869 10 10 [*******-*+] 1
202 1 9 HIS HD2 1 14 PRO QD 6.000 5.900 6.100 2.840 2.396 3.337 3.504 2 10 [*+******-*] 1
203 1 9 HIS HD2 1 14 PRO QG 6.000 5.900 6.100 4.099 3.677 4.614 2.223 2 10 [*+******-*] 1
204 1 9 HIS HD2 1 17 LEU QB 6.000 5.900 6.100 4.305 4.060 4.467 1.840 10 10 [********-+] 1
205 1 9 HIS HD2 1 17 LEU QD 6.000 5.900 6.100 3.074 2.980 3.223 2.920 7 10 [******+-**] 1
206 1 9 HIS HD2 1 17 LEU QD 6.000 5.900 6.100 3.074 2.980 3.222 2.920 7 10 [******+-**] 1
207 1 9 HIS HD2 1 17 LEU HG 6.000 5.900 6.100 5.539 5.285 5.869 0.615 10 3 "[-* . +]" 1
208 1 9 HIS HD2 1 20 VAL QG 6.000 5.900 6.100 5.769 5.575 5.875 0.325 6 0 "[ . 1]" 1
209 1 9 HIS HD2 1 28 SER H 6.000 5.900 6.100 6.018 5.931 6.059 . 0 0 "[ . 1]" 1
210 1 9 HIS HD2 1 30 CYS H 6.000 5.900 6.100 3.531 3.110 3.825 2.790 9 10 [*-******+*] 1
211 1 9 HIS HD2 1 30 CYS QB 6.000 5.900 6.100 2.250 2.089 2.450 3.811 7 10 [*-****+***] 1
212 1 9 HIS HE1 1 14 PRO QB 6.000 5.900 6.100 5.279 5.219 5.374 0.681 3 10 [**+***-***] 1
213 1 9 HIS HE1 1 14 PRO QD 6.000 5.900 6.100 4.140 3.890 4.296 2.010 9 10 [*-******+*] 1
214 1 9 HIS HE1 1 14 PRO QG 6.000 5.900 6.100 3.417 3.354 3.507 2.546 3 10 [**+***-***] 1
215 1 9 HIS HE1 1 17 LEU QD 6.000 5.900 6.100 3.800 3.693 3.937 2.207 8 10 [*-*****+**] 1
216 1 9 HIS HE1 1 30 CYS QB 6.000 5.900 6.100 5.159 4.969 5.381 0.931 8 10 [**-****+**] 1
217 1 10 PHE H 1 10 PHE QE 6.000 5.900 6.100 6.159 6.126 6.183 0.083 10 0 "[ . 1]" 1
218 1 10 PHE H 1 11 GLY H 6.000 5.900 6.100 4.553 4.504 4.592 1.396 2 10 [*+******-*] 1
219 1 10 PHE H 1 12 GLY H 6.000 5.900 6.100 4.754 4.548 4.921 1.352 9 10 [***-****+*] 1
220 1 10 PHE H 1 27 ARG HB2 6.000 5.900 6.100 5.451 5.189 5.705 0.711 2 4 "[ + - * *]" 1
221 1 10 PHE H 1 27 ARG QD 6.000 5.900 6.100 3.435 3.251 3.545 2.649 3 10 [**+***-***] 1
222 1 10 PHE H 1 27 ARG HE 6.000 5.900 6.100 6.092 6.043 6.193 0.093 8 0 "[ . 1]" 1
223 1 10 PHE H 1 27 ARG QG 6.000 5.900 6.100 2.947 2.743 3.125 3.157 7 10 [******+-**] 1
224 1 10 PHE HA 1 10 PHE QE 6.000 5.900 6.100 4.123 4.064 4.198 1.836 6 10 [***-*+****] 1
225 1 10 PHE HA 1 11 GLY H 6.000 5.900 6.100 2.195 2.159 2.236 3.741 2 10 [*+******-*] 1
226 1 10 PHE HA 1 11 GLY QA 6.000 5.900 6.100 3.952 3.923 3.978 1.977 2 10 [*+******-*] 1
227 1 10 PHE HA 1 12 GLY H 6.000 5.900 6.100 3.968 3.791 4.241 2.109 5 10 [***-+*****] 1
228 1 10 PHE HA 1 27 ARG HA 6.000 5.900 6.100 2.074 1.967 2.262 3.933 2 10 [*+*****-**] 1
229 1 10 PHE HA 1 27 ARG QB 6.000 5.900 6.100 3.158 2.992 3.338 2.908 10 10 [*******-*+] 1
230 1 10 PHE HA 1 27 ARG QD 6.000 5.900 6.100 3.971 3.750 4.207 2.150 3 10 [**+***-***] 1
231 1 10 PHE HA 1 27 ARG HE 6.000 5.900 6.100 5.631 5.583 5.669 0.317 9 0 "[ . 1]" 1
232 1 10 PHE HA 1 27 ARG QG 6.000 5.900 6.100 2.245 2.163 2.415 3.737 8 10 [******-+**] 1
233 1 10 PHE HA 1 28 SER H 6.000 5.900 6.100 2.568 2.481 2.705 3.419 7 10 [******+-**] 1
234 1 10 PHE QB 1 11 GLY H 6.000 5.900 6.100 3.660 3.533 3.760 2.367 9 10 [-*******+*] 1
235 1 10 PHE QB 1 17 LEU QB 6.000 5.900 6.100 1.725 1.693 1.754 4.207 4 10 [-**+******] 1
236 1 10 PHE QB 1 27 ARG HA 6.000 5.900 6.100 3.571 3.497 3.701 2.403 7 10 [****-*+***] 1
237 1 10 PHE QB 1 27 ARG HE 6.000 5.900 6.100 4.778 4.529 4.913 1.371 8 10 [*-*****+**] 1
238 1 10 PHE QB 1 27 ARG QG 6.000 5.900 6.100 1.798 1.777 1.832 4.123 3 10 [**+*-*****] 1
239 1 10 PHE QD 1 11 GLY H 6.000 5.900 6.100 1.863 1.838 1.882 4.062 3 10 [**+******-] 1
240 1 10 PHE QD 1 11 GLY QA 6.000 5.900 6.100 3.601 3.505 3.698 2.395 4 10 [***+-*****] 1
241 1 10 PHE QD 1 26 PHE QB 6.000 5.900 6.100 3.793 3.485 4.011 2.415 4 10 [***+-*****] 1
242 1 10 PHE QD 1 27 ARG QB 6.000 5.900 6.100 3.908 3.772 3.990 2.128 10 10 [-********+] 1
243 1 10 PHE QD 1 27 ARG QD 6.000 5.900 6.100 4.206 4.066 4.303 1.834 5 10 [****+****-] 1
244 1 10 PHE QD 1 27 ARG QG 6.000 5.900 6.100 2.822 2.680 2.997 3.220 8 10 [*-*****+**] 1
245 1 10 PHE QD 1 28 SER H 6.000 5.900 6.100 3.473 3.368 3.581 2.532 9 10 [-*******+*] 1
246 1 10 PHE QE 1 11 GLY H 6.000 5.900 6.100 3.549 3.413 3.741 2.487 8 10 [*-*****+**] 1
247 1 10 PHE QE 1 11 GLY QA 6.000 5.900 6.100 4.304 4.081 4.571 1.819 4 10 [***+**-***] 1
248 1 10 PHE QE 1 26 PHE QB 6.000 5.900 6.100 1.922 1.724 2.095 4.176 8 10 [******-+**] 1
249 1 10 PHE QE 1 27 ARG QB 6.000 5.900 6.100 5.200 5.048 5.363 0.852 5 10 [***-+*****] 1
250 1 10 PHE QE 1 27 ARG QD 6.000 5.900 6.100 5.546 5.350 5.670 0.550 5 1 "[ + 1]" 1
251 1 10 PHE QE 1 27 ARG HE 6.000 5.900 6.100 6.293 5.927 6.756 0.656 3 2 "[ +-. 1]" 1
252 1 10 PHE QE 1 27 ARG QG 6.000 5.900 6.100 4.037 3.871 4.146 2.029 5 10 [-***+*****] 1
253 1 10 PHE QE 1 28 SER QB 6.000 5.900 6.100 6.200 6.132 6.343 0.243 3 0 "[ . 1]" 1
254 1 10 PHE HZ 1 26 PHE HA 6.000 5.900 6.100 5.237 5.003 5.385 0.897 2 10 [*+*******-] 1
255 1 10 PHE HZ 1 27 ARG QG 6.000 5.900 6.100 5.093 4.822 5.288 1.078 5 10 [**-*+*****] 1
256 1 11 GLY H 1 12 GLY H 6.000 5.900 6.100 3.128 3.033 3.284 2.867 5 10 [***-+*****] 1
257 1 11 GLY H 1 17 LEU QB 6.000 5.900 6.100 4.035 3.918 4.191 1.982 8 10 [******-+**] 1
258 1 11 GLY H 1 27 ARG HA 6.000 5.900 6.100 3.177 3.051 3.300 2.849 10 10 [****-****+] 1
259 1 11 GLY H 1 27 ARG HB2 6.000 5.900 6.100 6.071 5.945 6.187 0.087 8 0 "[ . 1]" 1
260 1 11 GLY H 1 27 ARG QG 6.000 5.900 6.100 4.147 4.010 4.340 1.890 8 10 [******-+**] 1
261 1 11 GLY H 1 28 SER H 6.000 5.900 6.100 3.478 3.253 3.689 2.647 4 10 [***+***-**] 1
262 1 11 GLY QA 1 12 GLY H 6.000 5.900 6.100 2.651 2.575 2.702 3.325 4 10 [***+-*****] 1
263 1 12 GLY H 1 13 CYS H 6.000 5.900 6.100 4.026 3.942 4.111 1.958 4 10 [***+**-***] 1
264 1 12 GLY H 1 13 CYS QB 6.000 5.900 6.100 5.599 5.580 5.616 0.320 3 0 "[ . 1]" 1
265 1 12 GLY H 1 28 SER H 6.000 5.900 6.100 3.877 3.751 4.025 2.149 1 10 [+*******-*] 1
266 1 12 GLY H 1 28 SER QB 6.000 5.900 6.100 3.291 3.062 4.203 2.838 6 10 [*****+**-*] 1
267 1 12 GLY QA 1 13 CYS H 6.000 5.900 6.100 2.117 2.102 2.145 3.798 5 10 [****+*-***] 1
268 1 12 GLY QA 1 28 SER H 6.000 5.900 6.100 4.863 4.708 5.027 1.192 5 10 [**-*+*****] 1
269 1 13 CYS H 1 14 PRO HA 6.000 5.900 6.100 4.941 4.891 5.001 1.009 9 10 [********+-] 1
270 1 13 CYS H 1 14 PRO QD 6.000 5.900 6.100 4.214 4.176 4.239 1.724 1 10 [+****-****] 1
271 1 13 CYS H 1 14 PRO QG 6.000 5.900 6.100 5.777 5.731 5.821 0.169 1 0 "[ . 1]" 1
272 1 13 CYS H 1 19 LYS QB 6.000 5.900 6.100 5.411 5.230 5.639 0.670 7 4 "[* -. + *]" 1
273 1 13 CYS H 1 28 SER QB 6.000 5.900 6.100 4.683 4.585 4.929 1.315 8 10 [*******+-*] 1
274 1 13 CYS HA 1 14 PRO HA 6.000 5.900 6.100 4.416 4.402 4.425 1.498 8 10 [-******+**] 1
275 1 13 CYS HA 1 14 PRO QB 6.000 5.900 6.100 4.697 4.654 4.738 1.246 1 10 [+****-****] 1
276 1 13 CYS HA 1 14 PRO QG 6.000 5.900 6.100 3.610 3.575 3.665 2.325 1 10 [+*-*******] 1
277 1 13 CYS HA 1 15 SER H 6.000 5.900 6.100 6.002 5.967 6.029 . 0 0 "[ . 1]" 1
278 1 13 CYS HA 1 17 LEU QB 6.000 5.900 6.100 3.895 3.860 3.930 2.040 5 10 [****+***-*] 1
279 1 13 CYS HA 1 17 LEU QB 6.000 5.900 6.100 3.511 3.482 3.551 2.418 3 10 [**+*****-*] 1
280 1 13 CYS HA 1 17 LEU QD 6.000 5.900 6.100 2.969 2.913 3.036 2.987 7 10 [****-*+***] 1
281 1 13 CYS HA 1 28 SER QB 6.000 5.900 6.100 3.956 3.881 4.097 2.019 10 10 [********-+] 1
282 1 13 CYS HA 1 30 CYS H 6.000 5.900 6.100 2.132 2.104 2.173 3.796 9 10 [***-****+*] 1
283 1 13 CYS HA 1 30 CYS QB 6.000 5.900 6.100 3.243 3.175 3.278 2.725 1 10 [+*******-*] 1
284 1 13 CYS QB 1 14 PRO HA 6.000 5.900 6.100 4.648 4.609 4.674 1.291 4 10 [***+**-***] 1
285 1 13 CYS QB 1 14 PRO QB 6.000 5.900 6.100 4.394 4.304 4.470 1.596 10 10 [*-*******+] 1
286 1 13 CYS QB 1 14 PRO QD 6.000 5.900 6.100 2.542 2.458 2.658 3.442 8 10 [-******+**] 1
287 1 13 CYS QB 1 15 SER H 6.000 5.900 6.100 5.342 5.292 5.376 0.608 2 10 [*+*****-**] 1
288 1 13 CYS QB 1 17 LEU H 6.000 5.900 6.100 4.097 4.061 4.121 1.839 8 10 [*-*****+**] 1
289 1 13 CYS QB 1 17 LEU HA 6.000 5.900 6.100 4.673 4.618 4.739 1.282 6 10 [***-*+****] 1
290 1 13 CYS QB 1 17 LEU QB 6.000 5.900 6.100 2.244 2.151 2.331 3.749 9 10 [********+-] 1
291 1 13 CYS QB 1 17 LEU QD 6.000 5.900 6.100 3.510 3.235 3.703 2.665 9 10 [********+-] 1
292 1 13 CYS QB 1 18 ILE H 6.000 5.900 6.100 4.336 3.833 4.622 2.067 4 10 [***+***-**] 1
293 1 13 CYS QB 1 18 ILE HA 6.000 5.900 6.100 4.092 3.821 4.281 2.079 1 10 [+******-**] 1
294 1 13 CYS QB 1 18 ILE MG 6.000 5.900 6.100 5.258 5.043 5.392 0.857 1 10 [+******-**] 1
295 1 13 CYS QB 1 19 LYS QB 6.000 5.900 6.100 3.620 3.450 3.821 2.450 10 10 [********-+] 1
296 1 13 CYS QB 1 28 SER QB 6.000 5.900 6.100 4.494 4.360 4.614 1.540 8 10 [-******+**] 1
297 1 13 CYS QB 1 30 CYS H 6.000 5.900 6.100 5.346 5.136 5.477 0.764 9 7 "[ * -***+*]" 1
298 1 14 PRO HA 1 15 SER H 6.000 5.900 6.100 2.151 2.145 2.161 3.755 6 10 [*-***+****] 1
299 1 14 PRO HA 1 15 SER HA 6.000 5.900 6.100 4.332 4.309 4.345 1.591 6 10 [*****+***-] 1
300 1 14 PRO HA 1 15 SER QB 6.000 5.900 6.100 4.493 4.129 4.610 1.771 7 10 [******+-**] 1
301 1 14 PRO HA 1 16 HIS HE1 6.000 5.900 6.100 4.993 4.632 5.369 1.268 10 10 [*****-***+] 1
302 1 14 PRO HA 1 17 LEU H 6.000 5.900 6.100 4.590 4.519 4.670 1.381 10 10 [*****-***+] 1
303 1 14 PRO HA 1 17 LEU QD 6.000 5.900 6.100 5.128 5.049 5.246 0.851 2 10 [*+****-***] 1
304 1 14 PRO QB 1 15 SER H 6.000 5.900 6.100 2.597 2.539 2.660 3.361 10 10 [-********+] 1
305 1 14 PRO QB 1 15 SER HA 6.000 5.900 6.100 4.823 4.812 4.829 1.088 1 10 [+-********] 1
306 1 14 PRO QB 1 16 HIS HD2 6.000 5.900 6.100 4.845 4.528 5.023 1.372 5 10 [****+**-**] 1
307 1 14 PRO QB 1 16 HIS HE1 6.000 5.900 6.100 2.930 2.690 3.201 3.210 1 10 [+****-****] 1
308 1 14 PRO QB 1 17 LEU H 6.000 5.900 6.100 2.474 2.264 2.642 3.636 10 10 [******-**+] 1
309 1 14 PRO QB 1 17 LEU QD 6.000 5.900 6.100 3.283 3.212 3.401 2.688 3 10 [**+***-***] 1
310 1 14 PRO QB 1 17 LEU HG 6.000 5.900 6.100 2.574 2.452 2.772 3.448 3 10 [**+***-***] 1
311 1 14 PRO QD 1 15 SER H 6.000 5.900 6.100 4.477 4.437 4.520 1.463 6 10 [-****+****] 1
312 1 14 PRO QD 1 17 LEU H 6.000 5.900 6.100 3.745 3.574 3.868 2.326 4 10 [***+****-*] 1
313 1 14 PRO QD 1 17 LEU QB 6.000 5.900 6.100 2.230 2.118 2.410 3.782 4 10 [***+**-***] 1
314 1 14 PRO QD 1 17 LEU QD 6.000 5.900 6.100 2.199 2.043 2.352 3.857 2 10 [*+*******-] 1
315 1 14 PRO QG 1 15 SER H 6.000 5.900 6.100 4.215 4.167 4.247 1.733 10 10 [-********+] 1
316 1 14 PRO QG 1 16 HIS HE1 6.000 5.900 6.100 4.353 4.153 4.571 1.747 1 10 [+****-****] 1
317 1 14 PRO QG 1 17 LEU H 6.000 5.900 6.100 3.985 3.882 4.153 2.018 10 10 [******-**+] 1
318 1 14 PRO QG 1 17 LEU QD 6.000 5.900 6.100 2.442 2.286 2.743 3.614 2 10 [*+****-***] 1
319 1 14 PRO QG 1 17 LEU QD 6.000 5.900 6.100 2.440 2.285 2.739 3.615 2 10 [*+****-***] 1
320 1 14 PRO QG 1 17 LEU HG 6.000 5.900 6.100 2.782 2.610 3.119 3.290 2 10 [*+****-***] 1
321 1 15 SER H 1 16 HIS HD2 6.000 5.900 6.100 3.116 2.592 3.378 3.308 5 10 [****+**-**] 1
322 1 15 SER H 1 17 LEU H 6.000 5.900 6.100 2.608 2.473 2.694 3.427 8 10 [-******+**] 1
323 1 15 SER HA 1 16 HIS HD2 6.000 5.900 6.100 5.758 5.068 5.887 0.832 5 1 "[ + 1]" 1
324 1 15 SER HA 1 17 LEU H 6.000 5.900 6.100 4.627 4.509 4.719 1.391 7 10 [******+**-] 1
325 1 15 SER QB 1 16 HIS HA 6.000 5.900 6.100 4.046 3.910 4.233 1.990 3 10 [**+-******] 1
326 1 15 SER QB 1 16 HIS HD2 6.000 5.900 6.100 3.697 3.446 4.263 2.454 10 10 [***-*****+] 1
327 1 15 SER QB 1 16 HIS HE1 6.000 5.900 6.100 5.592 5.026 6.057 0.874 3 3 "[ + .- *]" 1
328 1 15 SER QB 1 17 LEU H 6.000 5.900 6.100 5.103 4.930 5.316 0.970 9 10 [*******-+*] 1
329 1 16 HIS H 1 17 LEU QB 6.000 5.900 6.100 4.679 4.547 4.758 1.353 8 10 [-******+**] 1
330 1 16 HIS H 1 17 LEU QD 6.000 5.900 6.100 4.560 4.482 4.632 1.418 8 10 [-******+**] 1
331 1 16 HIS H 1 17 LEU HG 6.000 5.900 6.100 4.392 4.248 4.525 1.652 8 10 [-******+**] 1
332 1 16 HIS HA 1 16 HIS HE1 6.000 5.900 6.100 6.151 6.115 6.189 0.089 2 0 "[ . 1]" 1
333 1 16 HIS HA 1 17 LEU H 6.000 5.900 6.100 3.525 3.513 3.532 2.387 7 10 [**-***+***] 1
334 1 16 HIS QB 1 17 LEU H 6.000 5.900 6.100 2.428 2.356 2.517 3.544 7 10 [******+-**] 1
335 1 16 HIS QB 1 17 LEU HA 6.000 5.900 6.100 3.607 3.577 3.640 2.323 2 10 [*+*******-] 1
336 1 16 HIS QB 1 17 LEU QD 6.000 5.900 6.100 2.575 2.512 2.627 3.388 2 10 [*+*****-**] 1
337 1 16 HIS QB 1 17 LEU HG 6.000 5.900 6.100 3.003 2.788 3.138 3.112 7 10 [******+**-] 1
338 1 16 HIS QB 1 32 TRP HE3 6.000 5.900 6.100 4.025 3.896 4.312 2.004 2 10 [-+********] 1
339 1 16 HIS QB 1 32 TRP HH2 6.000 5.900 6.100 2.758 2.518 2.955 3.382 2 10 [*+**-*****] 1
340 1 16 HIS QB 1 32 TRP HZ2 6.000 5.900 6.100 3.845 3.621 4.049 2.279 3 10 [**+*-*****] 1
341 1 16 HIS QB 1 32 TRP HZ3 6.000 5.900 6.100 2.697 2.525 3.107 3.375 2 10 [-+********] 1
342 1 16 HIS QB 1 33 PRO QD 6.000 5.900 6.100 3.677 3.591 3.757 2.309 3 10 [-*+*******] 1
343 1 16 HIS HD2 1 17 LEU QD 6.000 5.900 6.100 5.839 5.794 5.886 0.106 7 0 "[ . 1]" 1
344 1 16 HIS HE1 1 17 LEU QD 6.000 5.900 6.100 5.346 5.270 5.378 0.630 2 10 [*+****-***] 1
345 1 16 HIS HE1 1 17 LEU HG 6.000 5.900 6.100 5.544 5.436 5.630 0.464 10 0 "[ . 1]" 1
346 1 17 LEU H 1 18 ILE H 6.000 5.900 6.100 4.495 4.445 4.520 1.455 4 10 [***+****-*] 1
347 1 17 LEU H 1 18 ILE MG 6.000 5.900 6.100 5.432 5.323 5.571 0.577 1 4 "[+* *. - 1]" 1
348 1 17 LEU H 1 30 CYS QB 6.000 5.900 6.100 4.667 4.611 4.709 1.289 10 10 [***-*****+] 1
349 1 17 LEU H 1 32 TRP HA 6.000 5.900 6.100 5.107 4.972 5.171 0.928 2 10 [*+*****-**] 1
350 1 17 LEU H 1 33 PRO QD 6.000 5.900 6.100 4.165 4.038 4.274 1.862 2 10 [*+*****-**] 1
351 1 17 LEU H 1 33 PRO QG 6.000 5.900 6.100 5.222 5.093 5.373 0.807 2 10 [*+*****-**] 1
352 1 17 LEU HA 1 18 ILE H 6.000 5.900 6.100 2.222 2.074 2.533 3.826 3 10 [**+-******] 1
353 1 17 LEU HA 1 18 ILE MD 6.000 5.900 6.100 4.118 4.047 4.186 1.853 9 10 [-*******+*] 1
354 1 17 LEU HA 1 18 ILE QG 6.000 5.900 6.100 3.031 2.920 3.125 2.980 4 10 [***+*****-] 1
355 1 17 LEU HA 1 18 ILE MG 6.000 5.900 6.100 3.938 3.812 4.088 2.088 7 10 [**-***+***] 1
356 1 17 LEU HA 1 30 CYS QB 6.000 5.900 6.100 3.960 3.889 4.022 2.011 3 10 [-*+*******] 1
357 1 17 LEU HA 1 32 TRP HA 6.000 5.900 6.100 2.526 2.347 2.602 3.553 4 10 [***+***-**] 1
358 1 17 LEU HA 1 32 TRP HE3 6.000 5.900 6.100 4.401 4.245 4.481 1.655 4 10 [***+***-**] 1
359 1 17 LEU HA 1 33 PRO QD 6.000 5.900 6.100 2.187 2.033 2.350 3.867 2 10 [*+*****-**] 1
360 1 17 LEU HA 1 33 PRO QG 6.000 5.900 6.100 4.022 3.886 4.174 2.014 2 10 [*+*****-**] 1
361 1 17 LEU QB 1 18 ILE H 6.000 5.900 6.100 2.387 1.861 2.715 4.039 4 10 [***+***-**] 1
362 1 17 LEU QB 1 18 ILE HA 6.000 5.900 6.100 4.186 3.987 4.324 1.913 4 10 [***+***-**] 1
363 1 17 LEU QB 1 19 LYS HA 6.000 5.900 6.100 4.112 4.059 4.178 1.841 1 10 [+**-******] 1
364 1 17 LEU QB 1 30 CYS H 6.000 5.900 6.100 5.000 4.905 5.089 0.995 10 10 [***-*****+] 1
365 1 17 LEU QB 1 30 CYS HA 6.000 5.900 6.100 3.444 3.323 3.549 2.577 9 10 [-*******+*] 1
366 1 17 LEU QB 1 30 CYS QB 6.000 5.900 6.100 1.945 1.878 2.026 4.022 10 10 [***-*****+] 1
367 1 17 LEU QB 1 30 CYS QB 6.000 5.900 6.100 1.943 1.877 2.023 4.023 10 10 [***-*****+] 1
368 1 17 LEU QB 1 31 ALA H 6.000 5.900 6.100 2.757 2.674 2.827 3.226 7 10 [-*****+***] 1
369 1 17 LEU QB 1 32 TRP HA 6.000 5.900 6.100 3.835 3.695 3.926 2.205 4 10 [***+***-**] 1
370 1 17 LEU QB 1 32 TRP HA 6.000 5.900 6.100 3.703 3.581 3.782 2.319 4 10 [***+***-**] 1
371 1 17 LEU QB 1 33 PRO QD 6.000 5.900 6.100 3.739 3.621 3.843 2.279 2 10 [*+*****-**] 1
372 1 17 LEU QD 1 18 ILE H 6.000 5.900 6.100 3.147 3.063 3.194 2.837 1 10 [+*-*******] 1
373 1 17 LEU QD 1 18 ILE QG 6.000 5.900 6.100 3.657 3.542 3.737 2.358 1 10 [+*-*******] 1
374 1 17 LEU QD 1 19 LYS HA 6.000 5.900 6.100 5.595 5.450 5.702 0.450 1 0 "[ . 1]" 1
375 1 17 LEU QD 1 30 CYS H 6.000 5.900 6.100 4.127 3.944 4.293 1.956 2 10 [*+*****-**] 1
376 1 17 LEU QD 1 30 CYS HA 6.000 5.900 6.100 3.843 3.666 4.018 2.234 4 10 [**-+******] 1
377 1 17 LEU QD 1 30 CYS QB 6.000 5.900 6.100 1.919 1.835 2.048 4.065 7 10 [**-***+***] 1
378 1 17 LEU QD 1 30 CYS QB 6.000 5.900 6.100 1.907 1.827 2.029 4.073 7 10 [**-***+***] 1
379 1 17 LEU QD 1 31 ALA H 6.000 5.900 6.100 3.372 3.265 3.459 2.635 1 10 [+***-*****] 1
380 1 17 LEU QD 1 31 ALA HA 6.000 5.900 6.100 3.044 2.983 3.127 2.917 7 10 [****-*+***] 1
381 1 17 LEU QD 1 32 TRP H 6.000 5.900 6.100 3.304 3.251 3.375 2.649 2 10 [*+**-*****] 1
382 1 17 LEU QD 1 32 TRP HA 6.000 5.900 6.100 2.115 2.000 2.169 3.900 1 10 [+*****-***] 1
383 1 17 LEU QD 1 32 TRP HD1 6.000 5.900 6.100 2.854 2.761 2.893 3.139 3 10 [**+*****-*] 1
384 1 17 LEU QD 1 32 TRP HE1 6.000 5.900 6.100 2.569 2.428 2.723 3.472 3 10 [-*+*******] 1
385 1 17 LEU QD 1 32 TRP HE3 6.000 5.900 6.100 3.431 3.383 3.504 2.517 5 10 [-***+*****] 1
386 1 17 LEU QD 1 32 TRP HZ2 6.000 5.900 6.100 3.341 3.271 3.535 2.629 5 10 [-***+*****] 1
387 1 17 LEU QD 1 32 TRP HZ3 6.000 5.900 6.100 4.083 4.006 4.206 1.894 5 10 [-***+*****] 1
388 1 17 LEU QD 1 33 PRO QD 6.000 5.900 6.100 2.726 2.642 2.828 3.258 1 10 [+**-******] 1
389 1 17 LEU QD 1 33 PRO QG 6.000 5.900 6.100 4.164 4.084 4.282 1.816 1 10 [+**-******] 1
390 1 17 LEU QD 1 34 TRP H 6.000 5.900 6.100 5.441 5.370 5.523 0.530 1 4 "[+* - *]" 1
391 1 17 LEU QD 1 34 TRP HD1 6.000 5.900 6.100 5.996 5.960 6.041 . 0 0 "[ . 1]" 1
392 1 17 LEU QD 1 34 TRP HH2 6.000 5.900 6.100 5.701 5.641 5.751 0.259 3 0 "[ . 1]" 1
393 1 17 LEU QD 1 34 TRP HZ2 6.000 5.900 6.100 4.644 4.613 4.712 1.287 3 10 [**+******-] 1
394 1 17 LEU HG 1 30 CYS QB 6.000 5.900 6.100 3.847 3.759 3.918 2.141 2 10 [*+-*******] 1
395 1 17 LEU HG 1 31 ALA H 6.000 5.900 6.100 5.694 5.616 5.726 0.284 7 0 "[ . 1]" 1
396 1 17 LEU HG 1 32 TRP HA 6.000 5.900 6.100 4.789 4.712 4.856 1.188 2 10 [*+*******-] 1
397 1 18 ILE H 1 19 LYS H 6.000 5.900 6.100 4.406 4.237 4.490 1.663 4 10 [***+***-**] 1
398 1 18 ILE H 1 20 VAL QG 6.000 5.900 6.100 4.137 3.959 4.346 1.941 4 10 [***+***-**] 1
399 1 18 ILE H 1 30 CYS HA 6.000 5.900 6.100 4.264 3.778 4.552 2.122 4 10 [***+*****-] 1
400 1 18 ILE H 1 30 CYS QB 6.000 5.900 6.100 3.823 3.282 4.242 2.618 2 10 [*+*****-**] 1
401 1 18 ILE H 1 31 ALA H 6.000 5.900 6.100 2.767 2.441 2.959 3.459 4 10 [***+***-**] 1
402 1 18 ILE H 1 31 ALA HA 6.000 5.900 6.100 4.541 4.343 4.632 1.557 4 10 [***+*-****] 1
403 1 18 ILE H 1 32 TRP HA 6.000 5.900 6.100 3.273 3.099 3.572 2.801 5 10 [***-+*****] 1
404 1 18 ILE H 1 33 PRO QD 6.000 5.900 6.100 2.991 2.672 3.515 3.228 10 10 [***-*****+] 1
405 1 18 ILE H 1 33 PRO QG 6.000 5.900 6.100 4.982 4.685 5.470 1.215 10 9 "[*-* *****+]" 1
406 1 18 ILE HA 1 19 LYS H 6.000 5.900 6.100 2.197 2.188 2.205 3.712 4 10 [***+*-****] 1
407 1 18 ILE HA 1 19 LYS HA 6.000 5.900 6.100 4.340 4.330 4.355 1.570 8 10 [******-+**] 1
408 1 18 ILE HA 1 19 LYS QB 6.000 5.900 6.100 4.076 4.057 4.091 1.843 8 10 [*-*****+**] 1
409 1 18 ILE HA 1 30 CYS HA 6.000 5.900 6.100 5.210 5.163 5.269 0.737 4 10 [***+*-****] 1
410 1 18 ILE HA 1 31 ALA H 6.000 5.900 6.100 4.596 4.541 4.657 1.359 3 10 [**+**-****] 1
411 1 18 ILE HB 1 20 VAL HA 6.000 5.900 6.100 4.749 4.618 4.822 1.282 7 10 [****-*+***] 1
412 1 18 ILE HB 1 20 VAL QG 6.000 5.900 6.100 3.937 3.783 4.002 2.117 7 10 [*****-+***] 1
413 1 18 ILE HB 1 31 ALA H 6.000 5.900 6.100 4.571 4.457 4.653 1.443 4 10 [***+**-***] 1
414 1 18 ILE HB 1 32 TRP HA 6.000 5.900 6.100 5.926 5.853 6.003 0.047 4 0 "[ . 1]" 1
415 1 18 ILE HB 1 33 PRO HA 6.000 5.900 6.100 4.001 3.771 4.083 2.129 6 10 [*****+**-*] 1
416 1 18 ILE HB 1 34 TRP HZ3 6.000 5.900 6.100 6.123 6.093 6.155 0.055 3 0 "[ . 1]" 1
417 1 18 ILE MD 1 19 LYS H 6.000 5.900 6.100 4.105 4.008 4.187 1.892 6 10 [***-*+****] 1
418 1 18 ILE MD 1 19 LYS HA 6.000 5.900 6.100 4.254 4.167 4.362 1.733 6 10 [***-*+****] 1
419 1 18 ILE MD 1 20 VAL HA 6.000 5.900 6.100 3.447 3.294 3.624 2.606 6 10 [****-+****] 1
420 1 18 ILE MD 1 31 ALA H 6.000 5.900 6.100 2.017 1.954 2.092 3.946 4 10 [***+***-**] 1
421 1 18 ILE MD 1 32 TRP HA 6.000 5.900 6.100 3.681 3.637 3.720 2.263 4 10 [-**+******] 1
422 1 18 ILE MD 1 32 TRP HD1 6.000 5.900 6.100 5.677 5.548 5.786 0.352 4 0 "[ . 1]" 1
423 1 18 ILE MD 1 32 TRP HE3 6.000 5.900 6.100 6.024 5.974 6.064 . 0 0 "[ . 1]" 1
424 1 18 ILE MD 1 33 PRO HA 6.000 5.900 6.100 3.609 3.549 3.665 2.351 2 10 [*+-*******] 1
425 1 18 ILE MD 1 33 PRO QB 6.000 5.900 6.100 4.749 4.661 4.833 1.239 2 10 [*+***-****] 1
426 1 18 ILE MD 1 33 PRO QD 6.000 5.900 6.100 3.959 3.908 3.997 1.992 9 10 [-*******+*] 1
427 1 18 ILE MD 1 33 PRO QG 6.000 5.900 6.100 5.298 5.266 5.327 0.634 2 10 [*+***-****] 1
428 1 18 ILE MD 1 34 TRP H 6.000 5.900 6.100 5.112 5.036 5.230 0.864 1 10 [+****-****] 1
429 1 18 ILE MD 1 34 TRP HH2 6.000 5.900 6.100 2.782 2.738 2.861 3.162 8 10 [*****-*+**] 1
430 1 18 ILE MD 1 34 TRP HZ2 6.000 5.900 6.100 3.837 3.762 3.972 2.138 9 10 [**-*****+*] 1
431 1 18 ILE MD 1 34 TRP HZ3 6.000 5.900 6.100 3.339 3.295 3.397 2.605 3 10 [*-+*******] 1
432 1 18 ILE MD 1 35 ASN H 6.000 5.900 6.100 4.659 4.548 4.786 1.352 1 10 [+*-*******] 1
433 1 18 ILE QG 1 19 LYS H 6.000 5.900 6.100 4.678 4.662 4.714 1.238 8 10 [******-+**] 1
434 1 18 ILE QG 1 20 VAL HA 6.000 5.900 6.100 3.608 3.566 3.690 2.334 3 10 [**+***-***] 1
435 1 18 ILE QG 1 32 TRP HA 6.000 5.900 6.100 2.818 2.762 2.882 3.138 4 10 [-**+******] 1
436 1 18 ILE QG 1 32 TRP HA 6.000 5.900 6.100 2.866 2.804 2.939 3.096 4 10 [-**+******] 1
437 1 18 ILE QG 1 32 TRP HE3 6.000 5.900 6.100 5.053 4.999 5.105 0.901 3 10 [-*+*******] 1
438 1 18 ILE QG 1 33 PRO HA 6.000 5.900 6.100 1.905 1.859 1.970 4.041 4 10 [**-+******] 1
439 1 18 ILE QG 1 33 PRO QB 6.000 5.900 6.100 3.281 3.183 3.376 2.717 2 10 [*+***-****] 1
440 1 18 ILE QG 1 33 PRO QD 6.000 5.900 6.100 2.523 2.476 2.587 3.424 9 10 [-*******+*] 1
441 1 18 ILE QG 1 33 PRO QG 6.000 5.900 6.100 4.013 3.998 4.046 1.902 2 10 [-+********] 1
442 1 18 ILE QG 1 34 TRP HZ3 6.000 5.900 6.100 4.235 4.138 4.358 1.762 10 10 [***-*****+] 1
443 1 18 ILE MG 1 19 LYS H 6.000 5.900 6.100 3.561 3.487 3.589 2.413 5 10 [****+*-***] 1
444 1 18 ILE MG 1 19 LYS HA 6.000 5.900 6.100 5.537 5.499 5.557 0.401 5 0 "[ . 1]" 1
445 1 18 ILE MG 1 20 VAL HA 6.000 5.900 6.100 5.992 5.889 6.042 0.011 7 0 "[ . 1]" 1
446 1 18 ILE MG 1 30 CYS HA 6.000 5.900 6.100 6.091 6.051 6.119 0.019 5 0 "[ . 1]" 1
447 1 18 ILE MG 1 31 ALA H 6.000 5.900 6.100 5.044 5.018 5.067 0.882 3 10 [**+*****-*] 1
448 1 18 ILE MG 1 32 TRP HA 6.000 5.900 6.100 4.539 4.370 4.629 1.530 6 10 [-****+****] 1
449 1 18 ILE MG 1 32 TRP HE3 6.000 5.900 6.100 5.735 5.529 5.852 0.371 6 0 "[ . 1]" 1
450 1 18 ILE MG 1 33 PRO HA 6.000 5.900 6.100 1.985 1.887 2.072 4.013 6 10 [*-***+****] 1
451 1 18 ILE MG 1 33 PRO QB 6.000 5.900 6.100 2.247 2.105 2.364 3.795 6 10 [-****+****] 1
452 1 18 ILE MG 1 33 PRO QD 6.000 5.900 6.100 2.899 2.618 3.015 3.282 6 10 [*****+**-*] 1
453 1 18 ILE MG 1 33 PRO QG 6.000 5.900 6.100 3.639 3.391 3.751 2.509 6 10 [-****+****] 1
454 1 18 ILE MG 1 34 TRP HE3 6.000 5.900 6.100 5.860 5.730 5.963 0.170 6 0 "[ . 1]" 1
455 1 18 ILE MG 1 34 TRP HH2 6.000 5.900 6.100 6.180 6.150 6.206 0.106 4 0 "[ . 1]" 1
456 1 18 ILE MG 1 34 TRP HZ3 6.000 5.900 6.100 5.678 5.589 5.736 0.311 5 0 "[ . 1]" 1
457 1 19 LYS H 1 19 LYS QD 6.000 5.900 6.100 4.234 4.174 4.310 1.726 4 10 [**-+******] 1
458 1 19 LYS HA 1 20 VAL H 6.000 5.900 6.100 2.195 2.164 2.229 3.736 5 10 [***-+*****] 1
459 1 19 LYS HA 1 20 VAL QG 6.000 5.900 6.100 3.120 3.089 3.168 2.811 4 10 [***+****-*] 1
460 1 19 LYS HA 1 20 VAL QG 6.000 5.900 6.100 2.971 2.926 3.023 2.974 2 10 [*+****-***] 1
461 1 19 LYS HA 1 21 GLY H 6.000 5.900 6.100 3.406 3.273 3.475 2.627 7 10 [******+-**] 1
462 1 19 LYS HA 1 28 SER QB 6.000 5.900 6.100 4.448 4.302 4.529 1.598 4 10 [***+**-***] 1
463 1 19 LYS HA 1 30 CYS HA 6.000 5.900 6.100 2.729 2.600 2.829 3.300 10 10 [******-**+] 1
464 1 19 LYS QB 1 21 GLY H 6.000 5.900 6.100 4.506 4.357 4.594 1.543 7 10 [**-***+***] 1
465 1 19 LYS QB 1 21 GLY H 6.000 5.900 6.100 2.479 2.320 2.643 3.580 3 10 [**+-******] 1
466 1 19 LYS QB 1 21 GLY H 6.000 5.900 6.100 4.428 4.304 4.492 1.596 7 10 [**-***+***] 1
467 1 19 LYS QB 1 28 SER QB 6.000 5.900 6.100 4.379 4.220 4.453 1.680 9 10 [******-*+*] 1
468 1 19 LYS QB 1 30 CYS HA 6.000 5.900 6.100 4.681 4.605 4.761 1.295 10 10 [*****-***+] 1
469 1 19 LYS QD 1 20 VAL H 6.000 5.900 6.100 3.252 2.986 3.687 2.914 5 10 [****+*-***] 1
470 1 19 LYS QD 1 21 GLY H 6.000 5.900 6.100 2.772 2.580 3.097 3.320 8 10 [******-+**] 1
471 1 19 LYS QD 1 22 SER HA 6.000 5.900 6.100 4.293 4.073 4.535 1.827 9 10 [**-*****+*] 1
472 1 19 LYS QD 1 28 SER QB 6.000 5.900 6.100 2.272 2.245 2.304 3.655 8 10 [*******+-*] 1
473 1 19 LYS QD 1 29 CYS H 6.000 5.900 6.100 2.949 2.647 3.071 3.253 8 10 [******-+**] 1
474 1 19 LYS QE 1 21 GLY H 6.000 5.900 6.100 3.447 3.171 3.593 2.729 2 10 [*+*-******] 1
475 1 19 LYS QE 1 21 GLY QA 6.000 5.900 6.100 3.152 2.846 3.299 3.054 3 10 [**+****-**] 1
476 1 19 LYS QE 1 22 SER HA 6.000 5.900 6.100 2.747 2.547 2.938 3.353 9 10 [***-****+*] 1
477 1 19 LYS QE 1 22 SER QB 6.000 5.900 6.100 3.727 3.517 3.934 2.383 4 10 [**-+******] 1
478 1 19 LYS QE 1 28 SER HA 6.000 5.900 6.100 2.294 2.057 2.603 3.843 8 10 [******-+**] 1
479 1 19 LYS QE 1 28 SER QB 6.000 5.900 6.100 1.978 1.859 2.101 4.041 7 10 [**-***+***] 1
480 1 19 LYS QE 1 29 CYS H 6.000 5.900 6.100 2.508 2.247 2.846 3.653 8 10 [******-+**] 1
481 1 19 LYS QG 1 21 GLY H 6.000 5.900 6.100 3.010 2.753 3.080 3.147 7 10 [**-***+***] 1
482 1 19 LYS QG 1 21 GLY QA 6.000 5.900 6.100 3.206 3.059 3.299 2.841 7 10 [**-***+***] 1
483 1 19 LYS QG 1 22 SER HA 6.000 5.900 6.100 5.065 4.826 5.344 1.074 7 10 [**-***+***] 1
484 1 19 LYS QG 1 28 SER HA 6.000 5.900 6.100 5.244 5.086 5.364 0.814 8 10 [**-****+**] 1
485 1 19 LYS QG 1 28 SER QB 6.000 5.900 6.100 4.098 4.002 4.154 1.898 9 10 [**-*****+*] 1
486 1 19 LYS QG 1 29 CYS H 6.000 5.900 6.100 4.523 4.359 4.620 1.541 8 10 [****-**+**] 1
487 1 20 VAL H 1 21 GLY H 6.000 5.900 6.100 2.391 2.300 2.459 3.600 5 10 [****+**-**] 1
488 1 20 VAL H 1 28 SER QB 6.000 5.900 6.100 5.565 5.461 5.755 0.439 4 0 "[ . 1]" 1
489 1 20 VAL H 1 29 CYS QB 6.000 5.900 6.100 3.634 3.375 3.731 2.525 8 10 [******-+**] 1
490 1 20 VAL H 1 30 CYS H 6.000 5.900 6.100 4.602 4.505 4.761 1.395 3 10 [**+*****-*] 1
491 1 20 VAL H 1 30 CYS HA 6.000 5.900 6.100 2.569 2.396 2.836 3.504 4 10 [***+****-*] 1
492 1 20 VAL H 1 31 ALA H 6.000 5.900 6.100 3.267 3.080 3.414 2.820 4 10 [***+-*****] 1
493 1 20 VAL HA 1 21 GLY H 6.000 5.900 6.100 3.481 3.441 3.508 2.459 7 10 [******+-**] 1
494 1 20 VAL HA 1 21 GLY QA 6.000 5.900 6.100 4.211 4.197 4.220 1.703 3 10 [**+*-*****] 1
495 1 20 VAL HB 1 21 GLY QA 6.000 5.900 6.100 3.879 3.832 3.937 2.068 1 10 [+*****-***] 1
496 1 20 VAL HB 1 31 ALA MB 6.000 5.900 6.100 3.626 3.559 3.740 2.341 3 10 [**+****-**] 1
497 1 20 VAL QG 1 21 GLY H 6.000 5.900 6.100 2.397 2.184 2.543 3.716 9 10 [***-****+*] 1
498 1 20 VAL QG 1 21 GLY QA 6.000 5.900 6.100 3.720 3.586 3.803 2.314 9 10 [*****-**+*] 1
499 1 20 VAL QG 1 22 SER H 6.000 5.900 6.100 5.354 5.259 5.519 0.641 5 8 "[ -*+*****]" 1
500 1 20 VAL QG 1 22 SER HA 6.000 5.900 6.100 5.684 5.558 5.804 0.342 4 0 "[ . 1]" 1
501 1 20 VAL QG 1 29 CYS H 6.000 5.900 6.100 4.117 4.043 4.215 1.857 9 10 [*-******+*] 1
502 1 20 VAL QG 1 29 CYS QB 6.000 5.900 6.100 1.881 1.833 1.939 4.067 5 10 [-***+*****] 1
503 1 20 VAL QG 1 30 CYS H 6.000 5.900 6.100 3.301 3.146 3.477 2.754 4 10 [***+****-*] 1
504 1 20 VAL QG 1 30 CYS HA 6.000 5.900 6.100 2.454 2.231 2.918 3.669 2 10 [*+*****-**] 1
505 1 20 VAL QG 1 31 ALA H 6.000 5.900 6.100 2.440 2.264 2.876 3.636 4 10 [***+***-**] 1
506 1 20 VAL QG 1 31 ALA HA 6.000 5.900 6.100 3.307 3.229 3.416 2.671 2 10 [*+****-***] 1
507 1 20 VAL QG 1 31 ALA MB 6.000 5.900 6.100 1.601 1.578 1.649 4.322 2 10 [*+****-***] 1
508 1 20 VAL QG 1 32 TRP H 6.000 5.900 6.100 4.268 4.231 4.314 1.669 1 10 [+***-*****] 1
509 1 20 VAL QG 1 32 TRP HA 6.000 5.900 6.100 5.463 5.404 5.578 0.496 7 0 "[ . 1]" 1
510 1 20 VAL QG 1 33 PRO HA 6.000 5.900 6.100 5.725 5.514 5.797 0.386 7 0 "[ . 1]" 1
511 1 20 VAL QG 1 34 TRP HH2 6.000 5.900 6.100 3.209 3.085 3.384 2.815 9 10 [****-***+*] 1
512 1 20 VAL QG 1 34 TRP HZ2 6.000 5.900 6.100 4.550 4.397 4.728 1.503 1 10 [+***-*****] 1
513 1 20 VAL QG 1 34 TRP HZ3 6.000 5.900 6.100 4.129 3.903 4.291 1.997 7 10 [*-****+***] 1
514 1 21 GLY H 1 22 SER H 6.000 5.900 6.100 4.305 4.268 4.349 1.632 4 10 [*-*+******] 1
515 1 21 GLY H 1 22 SER HA 6.000 5.900 6.100 4.692 4.613 4.738 1.287 4 10 [***+***-**] 1
516 1 21 GLY H 1 28 SER QB 6.000 5.900 6.100 5.062 4.896 5.190 1.004 4 10 [***+***-**] 1
517 1 21 GLY H 1 29 CYS H 6.000 5.900 6.100 3.430 3.337 3.573 2.563 6 10 [*****+-***] 1
518 1 21 GLY H 1 29 CYS QB 6.000 5.900 6.100 2.630 2.360 2.788 3.540 8 10 [******-+**] 1
519 1 21 GLY H 1 30 CYS HA 6.000 5.900 6.100 4.319 4.177 4.598 1.723 10 10 [*******-*+] 1
520 1 21 GLY QA 1 22 SER H 6.000 5.900 6.100 2.232 2.187 2.281 3.713 6 10 [*-***+****] 1
521 1 21 GLY QA 1 22 SER HA 6.000 5.900 6.100 3.935 3.925 3.949 1.975 7 10 [******+-**] 1
522 1 21 GLY QA 1 29 CYS H 6.000 5.900 6.100 4.126 4.033 4.221 1.867 5 10 [*-**+*****] 1
523 1 21 GLY QA 1 29 CYS QB 6.000 5.900 6.100 3.169 3.119 3.286 2.781 4 10 [-**+******] 1
524 1 22 SER H 1 23 CYS H 6.000 5.900 6.100 4.502 4.413 4.578 1.487 5 10 [*-**+*****] 1
525 1 22 SER H 1 29 CYS H 6.000 5.900 6.100 4.254 4.075 4.534 1.825 5 10 [****+**-**] 1
526 1 22 SER H 1 29 CYS QB 6.000 5.900 6.100 3.548 3.405 3.787 2.495 4 10 [*-*+******] 1
527 1 22 SER HA 1 23 CYS H 6.000 5.900 6.100 2.421 2.207 2.724 3.693 3 10 [**+*-*****] 1
528 1 22 SER HA 1 23 CYS QB 6.000 5.900 6.100 4.004 3.830 4.363 2.070 5 10 [****+**-**] 1
529 1 22 SER HA 1 28 SER H 6.000 5.900 6.100 5.144 4.921 5.359 0.979 5 10 [*-**+*****] 1
530 1 22 SER HA 1 28 SER HA 6.000 5.900 6.100 2.362 2.098 2.561 3.802 5 10 [****+**-**] 1
531 1 22 SER HA 1 28 SER QB 6.000 5.900 6.100 4.136 3.779 4.427 2.121 9 10 [*******-+*] 1
532 1 22 SER HA 1 29 CYS H 6.000 5.900 6.100 2.497 2.235 2.772 3.665 7 10 [******+-**] 1
533 1 22 SER HA 1 29 CYS QB 6.000 5.900 6.100 3.346 3.086 3.470 2.814 4 10 [***+****-*] 1
534 1 22 SER QB 1 23 CYS H 6.000 5.900 6.100 2.615 1.914 3.025 3.986 9 10 [*******-+*] 1
535 1 22 SER QB 1 23 CYS HA 6.000 5.900 6.100 4.316 4.138 4.459 1.762 6 10 [***-*+****] 1
536 1 22 SER QB 1 27 ARG H 6.000 5.900 6.100 3.665 3.296 3.952 2.604 3 10 [**+***-***] 1
537 1 22 SER QB 1 26 PHE HA 6.000 5.900 6.100 5.065 4.543 5.372 1.357 9 10 [**-*****+*] 1
538 1 22 SER QB 1 28 SER HA 6.000 5.900 6.100 3.905 3.578 4.048 2.322 4 10 [***+-*****] 1
539 1 22 SER QB 1 29 CYS H 6.000 5.900 6.100 4.367 4.176 4.594 1.724 4 10 [***+***-**] 1
540 1 23 CYS H 1 24 PHE H 6.000 5.900 6.100 4.300 4.248 4.356 1.652 9 10 [-*******+*] 1
541 1 23 CYS H 1 25 GLY H 6.000 5.900 6.100 4.777 4.309 5.392 1.591 5 10 [****+**-**] 1
542 1 23 CYS H 1 26 PHE HA 6.000 5.900 6.100 5.281 4.584 6.080 1.316 5 6 "[ - +** **]" 1
543 1 23 CYS H 1 27 ARG H 6.000 5.900 6.100 4.255 4.032 4.447 1.868 9 10 [**-*****+*] 1
544 1 23 CYS H 1 27 ARG H 6.000 5.900 6.100 4.097 3.921 4.248 1.979 6 10 [**-**+****] 1
545 1 23 CYS H 1 27 ARG HA 6.000 5.900 6.100 2.860 2.415 3.329 3.485 1 10 [+*******-*] 1
546 1 23 CYS H 1 27 ARG QB 6.000 5.900 6.100 3.776 3.520 3.959 2.380 4 10 [***+-*****] 1
547 1 23 CYS H 1 27 ARG QG 6.000 5.900 6.100 5.537 5.383 5.620 0.517 4 1 "[ +. 1]" 1
548 1 23 CYS H 1 29 CYS H 6.000 5.900 6.100 3.608 3.113 4.190 2.787 1 10 [+*******-*] 1
549 1 23 CYS H 1 29 CYS QB 6.000 5.900 6.100 4.043 3.365 4.625 2.535 4 10 [***+-*****] 1
550 1 23 CYS HA 1 24 PHE H 6.000 5.900 6.100 2.789 2.765 2.824 3.135 7 10 [***-**+***] 1
551 1 23 CYS HA 1 24 PHE HA 6.000 5.900 6.100 4.316 4.292 4.354 1.608 4 10 [**-+******] 1
552 1 23 CYS HA 1 24 PHE QB 6.000 5.900 6.100 4.455 4.349 4.594 1.551 2 10 [*+*-******] 1
553 1 23 CYS HA 1 27 ARG QB 6.000 5.900 6.100 4.269 4.138 4.593 1.762 1 10 [+**-******] 1
554 1 23 CYS HA 1 29 CYS QB 6.000 5.900 6.100 3.656 3.165 4.050 2.735 1 10 [+***-*****] 1
555 1 23 CYS QB 1 24 PHE H 6.000 5.900 6.100 2.591 1.756 2.883 4.144 8 10 [-******+**] 1
556 1 23 CYS QB 1 27 ARG QG 6.000 5.900 6.100 3.525 3.447 3.623 2.453 2 10 [*+*****-**] 1
557 1 23 CYS QB 1 27 ARG QB 6.000 5.900 6.100 1.819 1.713 2.135 4.187 2 10 [*+*-******] 1
558 1 23 CYS QB 1 27 ARG HE 6.000 5.900 6.100 3.943 3.716 4.255 2.184 2 10 [*+*****-**] 1
559 1 23 CYS QB 1 27 ARG QG 6.000 5.900 6.100 3.752 3.651 4.084 2.249 2 10 [*+*-******] 1
560 1 23 CYS QB 1 28 SER H 6.000 5.900 6.100 3.320 2.957 3.811 2.943 1 10 [+**-******] 1
561 1 23 CYS QB 1 29 CYS H 6.000 5.900 6.100 3.564 3.235 4.292 2.665 1 10 [+**-******] 1
562 1 24 PHE H 1 25 GLY QA 6.000 5.900 6.100 5.270 5.195 5.325 0.705 2 10 [*+*****-**] 1
563 1 24 PHE H 1 26 PHE QE 6.000 5.900 6.100 5.920 5.697 6.067 0.203 2 0 "[ . 1]" 1
564 1 24 PHE H 1 27 ARG QB 6.000 5.900 6.100 3.138 2.951 3.584 2.949 3 10 [**+-******] 1
565 1 24 PHE H 1 27 ARG QD 6.000 5.900 6.100 4.617 4.338 5.056 1.562 1 10 [+**-******] 1
566 1 24 PHE H 1 27 ARG HE 6.000 5.900 6.100 3.696 3.332 4.437 2.568 3 10 [**+****-**] 1
567 1 24 PHE HA 1 25 GLY H 6.000 5.900 6.100 2.062 2.030 2.098 3.870 5 10 [**-*+*****] 1
568 1 24 PHE HA 1 26 PHE QE 6.000 5.900 6.100 6.262 6.109 6.417 0.317 6 0 "[ . 1]" 1
569 1 24 PHE HA 1 27 ARG H 6.000 5.900 6.100 4.657 4.501 4.882 1.399 9 10 [***-****+*] 1
570 1 24 PHE QB 1 25 GLY H 6.000 5.900 6.100 3.603 3.442 3.832 2.458 6 10 [***-*+****] 1
571 1 24 PHE QD 1 25 GLY QA 6.000 5.900 6.100 3.063 2.982 3.158 2.918 3 10 [**+-******] 1
572 1 24 PHE QD 1 27 ARG QD 6.000 5.900 6.100 5.265 4.614 5.445 1.286 3 8 "[* +**-** *]" 1
573 1 24 PHE QD 1 27 ARG QG 6.000 5.900 6.100 5.561 4.616 5.794 1.284 3 1 "[ + . 1]" 1
574 1 25 GLY H 1 26 PHE QE 6.000 5.900 6.100 3.677 3.583 3.716 2.317 4 10 [***+***-**] 1
575 1 25 GLY H 1 27 ARG HA 6.000 5.900 6.100 4.618 4.192 5.188 1.708 6 10 [***-*+****] 1
576 1 25 GLY H 1 27 ARG QB 6.000 5.900 6.100 3.816 3.388 4.428 2.512 6 10 [***-*+****] 1
577 1 25 GLY H 1 27 ARG QD 6.000 5.900 6.100 5.405 5.101 5.875 0.799 10 6 "[ * **- *+]" 1
578 1 25 GLY H 1 27 ARG HE 6.000 5.900 6.100 4.081 3.583 4.805 2.317 7 10 [**-***+***] 1
579 1 25 GLY QA 1 26 PHE QE 6.000 5.900 6.100 3.666 3.153 4.043 2.747 10 10 [*******-*+] 1
580 1 25 GLY QA 1 27 ARG H 6.000 5.900 6.100 3.725 3.322 4.016 2.578 3 10 [*-+*******] 1
581 1 25 GLY QA 1 27 ARG HE 6.000 5.900 6.100 4.552 4.459 4.803 1.441 7 10 [**-***+***] 1
582 1 25 GLY QA 1 27 ARG QG 6.000 5.900 6.100 4.894 4.698 5.139 1.202 3 10 [**+***-***] 1
583 1 26 PHE H 1 26 PHE QE 6.000 5.900 6.100 3.721 3.618 3.754 2.282 4 10 [***+***-**] 1
584 1 26 PHE H 1 27 ARG QG 6.000 5.900 6.100 3.937 3.478 4.456 2.422 10 10 [-********+] 1
585 1 26 PHE HA 1 27 ARG H 6.000 5.900 6.100 3.388 3.331 3.435 2.569 6 10 [***-*+****] 1
586 1 26 PHE QE 1 27 ARG QD 6.000 5.900 6.100 3.698 3.518 3.848 2.382 8 10 [*******+*-] 1
587 1 27 ARG H 1 27 ARG QD 6.000 5.900 6.100 4.273 4.130 4.416 1.770 2 10 [*+-*******] 1
588 1 27 ARG H 1 28 SER H 6.000 5.900 6.100 4.596 4.587 4.606 1.313 6 10 [****-+****] 1
589 1 27 ARG HA 1 27 ARG HE 6.000 5.900 6.100 4.622 4.491 4.771 1.409 7 10 [**-***+***] 1
590 1 27 ARG HA 1 28 SER H 6.000 5.900 6.100 2.318 2.226 2.422 3.674 8 10 [******-+**] 1
591 1 27 ARG QB 1 28 SER H 6.000 5.900 6.100 2.472 2.363 2.577 3.537 7 10 [******+-**] 1
592 1 27 ARG QD 1 28 SER H 6.000 5.900 6.100 4.501 4.254 4.665 1.646 3 10 [*-+*******] 1
593 1 27 ARG HE 1 28 SER H 6.000 5.900 6.100 5.900 5.801 6.051 0.099 4 0 "[ . 1]" 1
594 1 27 ARG QG 1 28 SER H 6.000 5.900 6.100 3.487 3.413 3.618 2.487 6 10 [*-***+****] 1
595 1 28 SER H 1 29 CYS H 6.000 5.900 6.100 4.469 4.428 4.489 1.472 3 10 [**+*-*****] 1
596 1 28 SER H 1 29 CYS HA 6.000 5.900 6.100 4.995 4.917 5.102 0.983 1 10 [+**-******] 1
597 1 28 SER HA 1 29 CYS H 6.000 5.900 6.100 2.211 2.163 2.229 3.737 4 10 [***+****-*] 1
598 1 28 SER QB 1 29 CYS H 6.000 5.900 6.100 3.027 2.968 3.087 2.932 4 10 [***+****-*] 1
599 1 28 SER QB 1 30 CYS H 6.000 5.900 6.100 5.011 4.976 5.091 0.924 4 10 [*-*+******] 1
600 1 29 CYS QB 1 30 CYS H 6.000 5.900 6.100 3.469 3.367 3.679 2.533 7 10 [***-**+***] 1
601 1 30 CYS H 1 31 ALA MB 6.000 5.900 6.100 4.901 4.789 5.011 1.111 7 10 [*-****+***] 1
602 1 30 CYS HA 1 31 ALA MB 6.000 5.900 6.100 3.788 3.734 3.824 2.166 3 10 [*-+*******] 1
603 1 30 CYS QB 1 31 ALA H 6.000 5.900 6.100 2.889 2.776 2.977 3.124 3 10 [**+****-**] 1
604 1 30 CYS QB 1 31 ALA MB 6.000 5.900 6.100 4.466 4.398 4.498 1.502 3 10 [**+****-**] 1
605 1 31 ALA H 1 32 TRP H 6.000 5.900 6.100 4.361 4.342 4.383 1.558 7 10 [*-****+***] 1
606 1 31 ALA HA 1 32 TRP HD1 6.000 5.900 6.100 3.995 3.823 4.114 2.077 7 10 [******+-**] 1
607 1 31 ALA MB 1 32 TRP H 6.000 5.900 6.100 2.258 2.203 2.304 3.697 4 10 [***+***-**] 1
608 1 31 ALA MB 1 32 TRP QB 6.000 5.900 6.100 3.900 3.831 3.948 2.069 1 10 [+*-*******] 1
609 1 31 ALA MB 1 32 TRP HD1 6.000 5.900 6.100 4.777 4.622 4.915 1.278 7 10 [******+-**] 1
610 1 31 ALA MB 1 34 TRP H 6.000 5.900 6.100 5.905 5.824 5.990 0.076 1 0 "[ . 1]" 1
611 1 31 ALA MB 1 34 TRP HE1 6.000 5.900 6.100 4.949 4.796 5.086 1.104 1 10 [+***-*****] 1
612 1 31 ALA MB 1 34 TRP HH2 6.000 5.900 6.100 1.945 1.920 1.973 3.980 4 10 [***+*****-] 1
613 1 31 ALA MB 1 34 TRP HZ2 6.000 5.900 6.100 2.640 2.452 2.805 3.448 1 10 [+***-*****] 1
614 1 31 ALA MB 1 34 TRP HZ3 6.000 5.900 6.100 3.774 3.714 3.827 2.186 6 10 [*****+***-] 1
615 1 31 ALA MB 1 35 ASN H 6.000 5.900 6.100 5.695 5.588 5.835 0.312 6 0 "[ . 1]" 1
616 1 31 ALA MB 1 35 ASN QD 6.000 5.900 6.100 5.698 5.519 5.760 0.381 5 0 "[ . 1]" 1
617 1 32 TRP H 1 32 TRP HD1 6.000 5.900 6.100 3.208 3.067 3.310 2.833 7 10 [******+-**] 1
618 1 32 TRP H 1 32 TRP HE1 6.000 5.900 6.100 3.392 3.325 3.490 2.575 1 10 [+***-*****] 1
619 1 32 TRP H 1 32 TRP HE3 6.000 5.900 6.100 5.303 5.294 5.317 0.606 8 10 [***-***+**] 1
620 1 32 TRP H 1 35 ASN H 6.000 5.900 6.100 6.094 6.046 6.158 0.058 10 0 "[ . 1]" 1
621 1 32 TRP HA 1 32 TRP HE1 6.000 5.900 6.100 4.156 4.130 4.208 1.770 6 10 [****-+****] 1
622 1 32 TRP HA 1 32 TRP HZ3 6.000 5.900 6.100 5.098 5.059 5.143 0.841 3 10 [**+-******] 1
623 1 32 TRP HA 1 33 PRO HA 6.000 5.900 6.100 4.394 4.379 4.405 1.521 6 10 [*****+*-**] 1
624 1 32 TRP HA 1 33 PRO QB 6.000 5.900 6.100 4.593 4.549 4.639 1.351 10 10 [*****-***+] 1
625 1 32 TRP HA 1 33 PRO QD 6.000 5.900 6.100 1.895 1.852 1.943 4.048 3 10 [**+-******] 1
626 1 32 TRP HA 1 33 PRO QG 6.000 5.900 6.100 3.791 3.750 3.841 2.150 3 10 [**+-******] 1
627 1 32 TRP HA 1 34 TRP H 6.000 5.900 6.100 4.226 4.134 4.309 1.766 10 10 [***-*****+] 1
628 1 32 TRP QB 1 33 PRO QD 6.000 5.900 6.100 2.705 2.611 2.768 3.289 7 10 [**-***+***] 1
629 1 32 TRP QB 1 34 TRP H 6.000 5.900 6.100 2.788 2.692 2.904 3.208 10 10 [*****-***+] 1
630 1 32 TRP QB 1 34 TRP HD1 6.000 5.900 6.100 2.807 2.775 2.841 3.125 1 10 [+***-*****] 1
631 1 32 TRP QB 1 34 TRP HD1 6.000 5.900 6.100 2.773 2.747 2.797 3.153 1 10 [+***-*****] 1
632 1 32 TRP QB 1 34 TRP HE3 6.000 5.900 6.100 4.518 4.439 4.565 1.461 5 10 [****+*-***] 1
633 1 32 TRP QB 1 34 TRP HZ2 6.000 5.900 6.100 2.342 2.262 2.420 3.638 5 10 [-***+*****] 1
634 1 32 TRP HD1 1 33 PRO QG 6.000 5.900 6.100 4.989 4.929 5.043 0.971 6 10 [*****+***-] 1
635 1 32 TRP HE3 1 33 PRO QD 6.000 5.900 6.100 1.720 1.699 1.730 4.201 8 10 [*****-*+**] 1
636 1 32 TRP HE3 1 34 TRP HZ2 6.000 5.900 6.100 6.178 6.145 6.205 0.105 1 0 "[ . 1]" 1
637 1 32 TRP HZ3 1 33 PRO QD 6.000 5.900 6.100 3.498 3.440 3.556 2.460 3 10 [**+-******] 1
638 1 32 TRP HZ3 1 33 PRO QG 6.000 5.900 6.100 3.431 3.220 3.645 2.680 3 10 [**+***-***] 1
639 1 33 PRO HA 1 34 TRP H 6.000 5.900 6.100 3.518 3.494 3.545 2.406 10 10 [*****-***+] 1
640 1 33 PRO HA 1 34 TRP HA 6.000 5.900 6.100 5.076 5.061 5.097 0.839 1 10 [+**-******] 1
641 1 33 PRO HA 1 35 ASN H 6.000 5.900 6.100 3.598 3.510 3.703 2.390 2 10 [*+***-****] 1
642 1 33 PRO HA 1 36 ALA MB 6.000 5.900 6.100 2.714 2.420 2.982 3.480 4 10 [***+*-****] 1
643 1 33 PRO QB 1 34 TRP H 6.000 5.900 6.100 3.365 3.181 3.483 2.719 6 10 [*****+***-] 1
644 1 33 PRO QB 1 34 TRP HE3 6.000 5.900 6.100 5.639 5.597 5.681 0.303 5 0 "[ . 1]" 1
645 1 33 PRO QB 1 35 ASN H 6.000 5.900 6.100 4.466 4.427 4.505 1.473 2 10 [*+***-****] 1
646 1 33 PRO QB 1 36 ALA MB 6.000 5.900 6.100 4.215 3.844 4.462 2.056 4 10 [***+*-****] 1
647 1 33 PRO QD 1 34 TRP H 6.000 5.900 6.100 3.371 3.290 3.447 2.610 5 10 [****+**-**] 1
648 1 33 PRO QD 1 34 TRP HZ2 6.000 5.900 6.100 5.403 5.375 5.431 0.525 7 4 "[ *.*+ -1]" 1
649 1 33 PRO QD 1 36 ALA MB 6.000 5.900 6.100 4.492 4.317 4.632 1.583 4 10 [***+*-****] 1
650 1 33 PRO QG 1 34 TRP H 6.000 5.900 6.100 2.810 2.722 2.893 3.178 4 10 [***+****-*] 1
651 1 33 PRO QG 1 34 TRP HA 6.000 5.900 6.100 4.170 4.047 4.290 1.853 5 10 [****+-****] 1
652 1 33 PRO QG 1 34 TRP HD1 6.000 5.900 6.100 5.157 5.078 5.233 0.822 6 10 [*****+***-] 1
653 1 33 PRO QG 1 34 TRP HE1 6.000 5.900 6.100 5.814 5.752 5.869 0.148 6 0 "[ . 1]" 1
654 1 33 PRO QG 1 35 ASN H 6.000 5.900 6.100 5.228 5.122 5.352 0.778 2 10 [*+***-****] 1
655 1 33 PRO QG 1 36 ALA H 6.000 5.900 6.100 5.322 5.189 5.552 0.711 2 9 "[*+*-* ****]" 1
656 1 33 PRO QG 1 36 ALA MB 6.000 5.900 6.100 5.220 4.981 5.413 0.919 4 9 "[***+* *-**]" 1
657 1 34 TRP H 1 34 TRP HE3 6.000 5.900 6.100 3.482 3.390 3.620 2.510 10 10 [*****-***+] 1
658 1 34 TRP H 1 35 ASN H 6.000 5.900 6.100 3.157 3.072 3.274 2.828 2 10 [*+*-******] 1
659 1 34 TRP H 1 36 ALA MB 6.000 5.900 6.100 4.542 4.436 4.723 1.464 2 10 [*+***-****] 1
660 1 34 TRP HA 1 34 TRP HE1 6.000 5.900 6.100 6.073 6.036 6.096 . 0 0 "[ . 1]" 1
661 1 34 TRP HA 1 35 ASN H 6.000 5.900 6.100 3.495 3.479 3.527 2.421 2 10 [*+*-******] 1
662 1 34 TRP HA 1 36 ALA MB 6.000 5.900 6.100 5.814 5.732 5.881 0.168 1 0 "[ . 1]" 1
663 1 34 TRP QB 1 35 ASN H 6.000 5.900 6.100 3.141 3.073 3.190 2.827 10 10 [-********+] 1
664 1 34 TRP HE1 1 35 ASN H 6.000 5.900 6.100 5.866 5.823 5.952 0.077 6 0 "[ . 1]" 1
665 1 34 TRP HE1 1 35 ASN QD 6.000 5.900 6.100 5.343 5.285 5.415 0.615 4 8 [***+.*-**1] 1
666 1 34 TRP HE1 1 36 ALA MB 6.000 5.900 6.100 6.101 6.042 6.171 0.071 4 0 "[ . 1]" 1
667 1 34 TRP HE3 1 35 ASN HA 6.000 5.900 6.100 2.786 2.708 2.915 3.192 1 10 [+**-******] 1
668 1 34 TRP HE3 1 35 ASN QB 6.000 5.900 6.100 2.591 2.416 2.927 3.484 1 10 [+*-*******] 1
669 1 34 TRP HH2 1 35 ASN QD 6.000 5.900 6.100 4.543 4.257 4.634 1.643 5 10 [***-+*****] 1
670 1 34 TRP HH2 1 36 ALA HA 6.000 5.900 6.100 6.037 5.621 6.141 0.279 4 0 "[ . 1]" 1
671 1 34 TRP HH2 1 36 ALA MB 6.000 5.900 6.100 3.415 3.258 3.697 2.642 10 10 [***-*****+] 1
672 1 34 TRP HZ2 1 36 ALA MB 6.000 5.900 6.100 4.820 4.724 4.982 1.176 10 10 [***-*****+] 1
673 1 34 TRP HZ3 1 36 ALA MB 6.000 5.900 6.100 2.396 2.118 2.765 3.782 10 10 [***-*****+] 1
674 1 35 ASN H 1 36 ALA H 6.000 5.900 6.100 2.067 1.804 2.276 4.096 5 10 [****+-****] 1
675 1 35 ASN H 1 36 ALA HA 6.000 5.900 6.100 4.388 4.242 4.473 1.658 4 10 [***+*-****] 1
676 1 35 ASN H 1 36 ALA MB 6.000 5.900 6.100 3.083 3.014 3.136 2.886 1 10 [+**-******] 1
677 1 35 ASN HA 1 36 ALA HA 6.000 5.900 6.100 4.419 4.379 4.583 1.521 8 10 [***-***+**] 1
678 1 35 ASN QB 1 36 ALA H 6.000 5.900 6.100 3.858 3.696 3.970 2.204 4 10 [***+*****-] 1
679 1 35 ASN QB 1 36 ALA HA 6.000 5.900 6.100 4.400 4.049 4.781 1.851 4 10 [***+*****-] 1
680 1 35 ASN QB 1 36 ALA MB 6.000 5.900 6.100 4.152 3.829 4.661 2.071 8 10 [****-**+**] 1
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Contact the webmaster for help, if required. Tuesday, May 28, 2024 8:48:53 PM GMT (wattos1)