NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
498862 |
2jsp   |
15373 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jsp
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 1126
_Distance_constraint_stats_list.Viol_count 2752
_Distance_constraint_stats_list.Viol_total 12252.030
_Distance_constraint_stats_list.Viol_max 1.565
_Distance_constraint_stats_list.Viol_rms 0.1028
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0272
_Distance_constraint_stats_list.Viol_average_violations_only 0.2226
_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 3 ASN 9.299 0.721 7 5 "[* * * + 1 . -]"
1 4 VAL 1.309 0.380 7 0 "[ . 1 . 2]"
1 5 GLU 5.527 0.721 7 4 "[* * . + 1 . -]"
1 6 LYS 0.445 0.222 4 0 "[ . 1 . 2]"
1 7 GLN 4.774 0.653 7 2 "[ - + 1 . 2]"
1 8 LYS 6.396 0.692 20 3 "[ . 1* . - +]"
1 9 PRO 11.151 0.620 16 4 "[ .- 1 * *.+ 2]"
1 10 ALA 4.333 0.293 10 0 "[ . 1 . 2]"
1 11 VAL 5.155 0.384 13 0 "[ . 1 . 2]"
1 12 SER 3.489 0.384 13 0 "[ . 1 . 2]"
1 13 VAL 4.826 1.032 6 1 "[ .+ 1 . 2]"
1 14 ARG 2.196 0.577 7 1 "[ . + 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 4.375 0.507 18 1 "[ . 1 . + 2]"
1 17 VAL 43.753 1.390 15 17 "[****** ***- *+*****]"
1 18 GLN 77.759 1.237 18 20 [***********-*****+**]
1 19 ASP 8.422 0.308 18 0 "[ . 1 . 2]"
1 20 ASP 49.884 1.237 18 20 [********-********+**]
1 21 HIS 16.802 0.502 12 1 "[ . 1 + . 2]"
1 22 ILE 57.319 1.343 15 20 [*************-+*****]
1 23 VAL 22.402 0.973 19 13 "[ ***** -** **** +2]"
1 24 CYS 27.248 1.565 13 5 "[ * *1 + .* -2]"
1 25 LEU 53.691 1.343 15 17 "[*****-**** * *+*** *]"
1 26 GLU 16.909 0.600 5 8 "[ -+ *** ** * 2]"
1 27 CYS 8.429 0.353 8 0 "[ . 1 . 2]"
1 28 GLY 13.372 0.600 5 8 "[ -+ *** ** * 2]"
1 29 GLY 13.035 0.526 19 1 "[ . 1 . +2]"
1 30 SER 10.587 0.642 19 2 "[ . 1- . +2]"
1 31 PHE 37.424 1.071 5 20 [****+************-**]
1 32 LYS 2.201 0.301 10 0 "[ . 1 . 2]"
1 33 SER 4.240 0.507 9 1 "[ . +1 . 2]"
1 34 LEU 13.850 0.686 5 4 "[ + *-1 .* 2]"
1 35 LYS 0.822 0.331 4 0 "[ . 1 . 2]"
1 36 ARG 1.633 0.537 6 1 "[ .+ 1 . 2]"
1 37 HIS 28.222 0.779 14 9 "[* *-. * ** +.** 2]"
1 38 LEU 16.231 0.559 12 1 "[ . 1 + . 2]"
1 39 THR 16.538 0.612 20 3 "[ .- 1 . * +]"
1 40 THR 9.108 0.687 5 1 "[ + 1 . 2]"
1 41 HIS 17.266 0.779 14 8 "[* *-. ** +. * *]"
1 42 HIS 14.668 0.648 14 3 "[ - . 1 +. *]"
1 43 SER 5.668 0.262 1 0 "[ . 1 . 2]"
1 44 MET 41.008 0.868 13 16 "[* *** ***1* +******-]"
1 45 THR 1.361 0.280 15 0 "[ . 1 . 2]"
1 46 PRO 6.154 0.452 2 0 "[ . 1 . 2]"
1 47 GLU 38.214 0.648 7 10 "[- .*+ 1 *******]"
1 48 GLU 21.037 0.619 7 5 "[ -. +* 1* . * 2]"
1 49 TYR 36.367 1.565 13 10 "[ * * *1 +***- **]"
1 50 ARG 32.094 0.619 7 10 "[- *.*+* 1* *. ** *]"
1 51 GLU 19.119 0.868 13 15 "[* **. *-*1* +*******]"
1 52 LYS 12.298 0.766 1 2 "[+ . 1 . -]"
1 53 TRP 22.201 0.801 6 7 "[** .+ 1** . - *]"
1 54 ASP 16.868 0.435 8 0 "[ . 1 . 2]"
1 55 LEU 9.701 0.471 10 0 "[ . 1 . 2]"
1 56 PRO 11.120 0.577 7 1 "[ . + 1 . 2]"
1 57 VAL 6.081 0.617 8 3 "[ . + 1 *. -]"
1 58 ASP 8.533 0.466 8 0 "[ . 1 . 2]"
1 59 TYR 14.893 0.646 19 7 "[* * . * 1-* . +*]"
1 60 PRO 28.546 1.390 15 12 "[** *. * **- *+** *]"
1 61 MET 21.324 1.143 20 5 "[ ** -* 1 . +]"
1 62 VAL 24.418 0.675 8 15 "[ * -** +** **** ****]"
1 63 ALA 9.994 0.590 2 2 "[ + . 1 . - 2]"
1 64 PRO 3.079 0.395 4 0 "[ . 1 . 2]"
1 65 ALA 15.583 0.884 20 9 "[* * . * -* . ***+]"
1 66 TYR 12.234 0.485 5 0 "[ . 1 . 2]"
1 67 ALA 7.025 0.485 5 0 "[ . 1 . 2]"
1 68 GLU 7.018 0.884 20 5 "[ . * - . ** +]"
1 69 ALA 10.525 0.628 19 3 "[ . 1 . -+*]"
1 70 ARG 6.484 0.519 20 2 "[ . - 1 . +]"
1 71 SER 3.342 0.593 12 1 "[ . 1 + . 2]"
1 72 ARG 3.537 0.628 19 2 "[ . 1 . +-]"
1 73 LEU 7.351 0.593 12 3 "[ . - 1 + . *]"
1 74 ALA 6.981 0.792 13 6 "[ - .** 1 *+ * 2]"
1 75 LYS 1.335 0.382 7 0 "[ . 1 . 2]"
1 76 GLU 9.338 0.792 13 6 "[ - .** 1 *+ * 2]"
1 77 MET 1.984 0.452 2 0 "[ . 1 . 2]"
1 79 LEU 2.866 0.596 11 2 "[ . 1+ -. 2]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLN 2.930 0.596 11 2 "[ . 1+ -. 2]"
1 82 ARG 2.512 0.497 9 0 "[ . 1 . 2]"
1 87 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ASN HA 1 4 VAL H . . 2.550 2.436 2.062 2.930 0.380 7 0 "[ . 1 . 2]" 1
2 1 3 ASN HA 1 5 GLU H . . 3.830 4.066 3.647 4.551 0.721 7 4 "[* * . + 1 . -]" 1
3 1 3 ASN HA 1 7 GLN H . . 3.110 3.227 2.458 3.763 0.653 7 2 "[ - + 1 . 2]" 1
4 1 4 VAL H 1 4 VAL HB . . 3.950 3.274 2.467 4.105 0.155 19 0 "[ . 1 . 2]" 1
5 1 4 VAL HA 1 4 VAL HB . . 2.800 2.390 2.268 2.531 . 0 0 "[ . 1 . 2]" 1
6 1 4 VAL HA 1 5 GLU H . . 3.640 3.123 2.261 3.645 0.005 11 0 "[ . 1 . 2]" 1
7 1 4 VAL QG 1 5 GLU H . . 9.120 2.721 1.756 3.777 . 0 0 "[ . 1 . 2]" 1
8 1 5 GLU HA 1 6 LYS H . . 2.400 2.329 2.173 2.622 0.222 4 0 "[ . 1 . 2]" 1
9 1 5 GLU QG 1 6 LYS H . . 7.260 4.104 3.547 4.507 . 0 0 "[ . 1 . 2]" 1
10 1 6 LYS QB 1 7 GLN H . . 6.420 2.704 1.787 4.100 . 0 0 "[ . 1 . 2]" 1
11 1 6 LYS QG 1 7 GLN H . . 7.260 3.904 2.398 4.537 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLN H 1 7 GLN HA . . 2.590 2.555 2.259 2.883 0.293 12 0 "[ . 1 . 2]" 1
13 1 8 LYS HA 1 9 PRO QG . . 5.710 3.909 3.789 4.036 . 0 0 "[ . 1 . 2]" 1
14 1 8 LYS HA 1 53 TRP HH2 . . 5.500 5.820 5.574 6.192 0.692 20 3 "[ . 1* . - +]" 1
15 1 9 PRO HA 1 10 ALA H . . 2.400 2.115 2.030 2.236 . 0 0 "[ . 1 . 2]" 1
16 1 9 PRO HA 1 10 ALA MB . . 7.560 3.890 3.799 3.989 . 0 0 "[ . 1 . 2]" 1
17 1 9 PRO HA 1 25 LEU QB . . 6.380 4.624 4.345 4.860 . 0 0 "[ . 1 . 2]" 1
18 1 9 PRO HA 1 25 LEU QD . . 9.760 3.342 2.914 5.113 . 0 0 "[ . 1 . 2]" 1
19 1 9 PRO HA 1 25 LEU HG . . 5.500 5.823 4.967 6.120 0.620 16 3 "[ . 1 - *.+ 2]" 1
20 1 9 PRO HA 1 53 TRP HH2 . . 5.500 2.210 1.968 2.507 . 0 0 "[ . 1 . 2]" 1
21 1 9 PRO HA 1 53 TRP HZ3 . . 5.500 3.741 3.288 4.296 . 0 0 "[ . 1 . 2]" 1
22 1 9 PRO QB 1 10 ALA H . . 4.180 3.460 2.845 3.781 . 0 0 "[ . 1 . 2]" 1
23 1 9 PRO QB 1 11 VAL H . . 4.240 3.420 2.919 3.813 . 0 0 "[ . 1 . 2]" 1
24 1 9 PRO QB 1 25 LEU QB . . 7.250 5.549 5.119 5.954 . 0 0 "[ . 1 . 2]" 1
25 1 9 PRO QB 1 25 LEU QD . . 9.760 3.914 3.451 5.082 . 0 0 "[ . 1 . 2]" 1
26 1 9 PRO QB 1 25 LEU HG . . 6.380 6.334 4.957 6.890 0.510 6 1 "[ .+ 1 . 2]" 1
27 1 9 PRO QB 1 53 TRP HE3 . . 6.380 5.116 4.456 5.692 . 0 0 "[ . 1 . 2]" 1
28 1 9 PRO QB 1 53 TRP HH2 . . 6.380 2.141 1.920 2.584 . 0 0 "[ . 1 . 2]" 1
29 1 9 PRO QB 1 53 TRP HZ3 . . 6.380 2.956 2.320 3.497 . 0 0 "[ . 1 . 2]" 1
30 1 9 PRO QD 1 13 VAL QG . . 10.000 9.800 9.165 10.207 0.207 15 0 "[ . 1 . 2]" 1
31 1 9 PRO QD 1 25 LEU HA . . 6.380 6.410 6.277 6.575 0.195 19 0 "[ . 1 . 2]" 1
32 1 9 PRO QD 1 28 GLY QA . . 6.320 5.689 5.533 5.901 . 0 0 "[ . 1 . 2]" 1
33 1 9 PRO QD 1 53 TRP HZ3 . . 6.380 5.588 4.992 5.942 . 0 0 "[ . 1 . 2]" 1
34 1 9 PRO HD2 1 28 GLY QA . . 7.250 6.086 5.886 6.348 . 0 0 "[ . 1 . 2]" 1
35 1 9 PRO HD2 1 53 TRP HH2 . . 5.500 5.284 5.112 5.568 0.068 20 0 "[ . 1 . 2]" 1
36 1 9 PRO HD3 1 28 GLY QA . . 7.250 6.842 6.642 7.012 . 0 0 "[ . 1 . 2]" 1
37 1 9 PRO HD3 1 53 TRP HH2 . . 5.500 3.996 3.803 4.357 . 0 0 "[ . 1 . 2]" 1
38 1 9 PRO QG 1 13 VAL QG . . 10.000 8.977 7.883 9.532 . 0 0 "[ . 1 . 2]" 1
39 1 9 PRO QG 1 25 LEU QD . . 10.640 5.381 4.964 6.650 . 0 0 "[ . 1 . 2]" 1
40 1 9 PRO QG 1 53 TRP HH2 . . 6.380 4.165 4.021 4.527 . 0 0 "[ . 1 . 2]" 1
41 1 9 PRO QG 1 53 TRP HZ3 . . 6.380 4.948 4.097 5.560 . 0 0 "[ . 1 . 2]" 1
42 1 10 ALA H 1 11 VAL H . . 3.420 3.561 3.314 3.713 0.293 10 0 "[ . 1 . 2]" 1
43 1 10 ALA H 1 25 LEU HA . . 2.990 2.594 2.377 2.967 . 0 0 "[ . 1 . 2]" 1
44 1 10 ALA H 1 25 LEU QB . . 6.130 4.143 3.876 4.543 . 0 0 "[ . 1 . 2]" 1
45 1 10 ALA H 1 25 LEU QD . . 9.760 2.261 1.697 3.926 . 0 0 "[ . 1 . 2]" 1
46 1 10 ALA HA 1 11 VAL H . . 2.650 2.482 2.232 2.721 0.071 13 0 "[ . 1 . 2]" 1
47 1 10 ALA MB 1 11 VAL QG . . 11.180 3.661 3.410 3.971 . 0 0 "[ . 1 . 2]" 1
48 1 10 ALA MB 1 12 SER H . . 7.560 6.168 5.736 6.493 . 0 0 "[ . 1 . 2]" 1
49 1 10 ALA MB 1 23 VAL QG . . 11.180 1.746 1.583 1.893 . 0 0 "[ . 1 . 2]" 1
50 1 10 ALA MB 1 24 CYS H . . 7.560 3.850 3.511 4.451 . 0 0 "[ . 1 . 2]" 1
51 1 10 ALA MB 1 25 LEU HA . . 7.560 2.200 1.867 2.646 . 0 0 "[ . 1 . 2]" 1
52 1 10 ALA MB 1 25 LEU QD . . 11.820 1.942 1.697 2.622 . 0 0 "[ . 1 . 2]" 1
53 1 10 ALA MB 1 27 CYS H . . 7.560 3.637 3.322 4.208 . 0 0 "[ . 1 . 2]" 1
54 1 10 ALA MB 1 28 GLY H . . 7.340 3.070 2.627 3.718 . 0 0 "[ . 1 . 2]" 1
55 1 10 ALA MB 1 28 GLY QA . . 7.350 2.570 1.915 3.728 . 0 0 "[ . 1 . 2]" 1
56 1 10 ALA MB 1 53 TRP HD1 . . 7.560 7.503 6.621 7.834 0.274 15 0 "[ . 1 . 2]" 1
57 1 10 ALA MB 1 53 TRP HZ2 . . 7.560 5.623 5.055 6.012 . 0 0 "[ . 1 . 2]" 1
58 1 11 VAL H 1 25 LEU QD . . 9.760 4.216 3.754 5.811 . 0 0 "[ . 1 . 2]" 1
59 1 11 VAL HA 1 12 SER H . . 2.680 2.719 2.216 3.064 0.384 13 0 "[ . 1 . 2]" 1
60 1 11 VAL HB 1 12 SER H . . 3.360 2.382 1.697 3.631 0.271 16 0 "[ . 1 . 2]" 1
61 1 11 VAL HB 1 23 VAL QG . . 9.120 4.743 3.031 6.317 . 0 0 "[ . 1 . 2]" 1
62 1 11 VAL HB 1 25 LEU QD . . 9.760 5.168 4.010 7.206 . 0 0 "[ . 1 . 2]" 1
63 1 11 VAL QG 1 12 SER H . . 7.570 2.060 1.324 3.148 . 0 0 "[ . 1 . 2]" 1
64 1 11 VAL QG 1 12 SER HA . . 9.120 4.069 3.981 4.180 . 0 0 "[ . 1 . 2]" 1
65 1 11 VAL QG 1 12 SER QB . . 10.000 3.377 2.828 4.164 . 0 0 "[ . 1 . 2]" 1
66 1 11 VAL QG 1 16 SER HA . . 9.120 4.843 3.881 6.023 . 0 0 "[ . 1 . 2]" 1
67 1 11 VAL QG 1 16 SER QB . . 7.830 5.648 4.434 6.823 . 0 0 "[ . 1 . 2]" 1
68 1 11 VAL QG 1 23 VAL QG . . 12.740 3.238 2.354 3.922 . 0 0 "[ . 1 . 2]" 1
69 1 11 VAL QG 1 25 LEU HA . . 9.120 6.203 5.518 6.621 . 0 0 "[ . 1 . 2]" 1
70 1 11 VAL QG 1 25 LEU QD . . 13.380 4.125 3.143 5.533 . 0 0 "[ . 1 . 2]" 1
71 1 11 VAL QG 1 25 LEU HG . . 9.120 6.447 5.285 7.275 . 0 0 "[ . 1 . 2]" 1
72 1 11 VAL MG1 1 16 SER QB . . 9.310 7.211 5.619 8.109 . 0 0 "[ . 1 . 2]" 1
73 1 11 VAL MG2 1 16 SER QB . . 9.310 6.094 4.489 7.546 . 0 0 "[ . 1 . 2]" 1
74 1 12 SER H 1 12 SER HB2 . . 3.050 2.741 2.536 3.124 0.074 8 0 "[ . 1 . 2]" 1
75 1 12 SER H 1 12 SER HB3 . . 3.050 2.525 2.396 2.604 . 0 0 "[ . 1 . 2]" 1
76 1 12 SER HA 1 12 SER HB2 . . 2.990 2.504 2.456 2.554 . 0 0 "[ . 1 . 2]" 1
77 1 12 SER HA 1 12 SER HB3 . . 2.990 3.055 3.036 3.074 0.084 3 0 "[ . 1 . 2]" 1
78 1 12 SER HA 1 13 VAL H . . 2.900 2.281 2.020 2.663 . 0 0 "[ . 1 . 2]" 1
79 1 12 SER HA 1 13 VAL HA . . 4.820 4.399 4.275 4.506 . 0 0 "[ . 1 . 2]" 1
80 1 12 SER HA 1 13 VAL QG . . 9.120 3.900 3.485 4.323 . 0 0 "[ . 1 . 2]" 1
81 1 12 SER QB 1 13 VAL H . . 4.010 3.377 2.998 3.730 . 0 0 "[ . 1 . 2]" 1
82 1 12 SER HB2 1 13 VAL H . . 4.420 3.906 3.726 4.179 . 0 0 "[ . 1 . 2]" 1
83 1 12 SER HB3 1 13 VAL H . . 4.420 3.713 3.159 4.195 . 0 0 "[ . 1 . 2]" 1
84 1 13 VAL H 1 13 VAL HB . . 3.080 2.448 2.321 2.578 . 0 0 "[ . 1 . 2]" 1
85 1 13 VAL HA 1 16 SER QB . . 4.030 3.320 1.744 4.151 0.121 7 0 "[ . 1 . 2]" 1
86 1 13 VAL HA 1 25 LEU QD . . 9.760 3.748 3.465 4.287 . 0 0 "[ . 1 . 2]" 1
87 1 13 VAL HA 1 25 LEU HG . . 5.500 5.393 4.990 5.763 0.263 17 0 "[ . 1 . 2]" 1
88 1 13 VAL HA 1 55 LEU QD . . 9.130 3.237 2.757 4.028 . 0 0 "[ . 1 . 2]" 1
89 1 13 VAL HB 1 25 LEU QD . . 9.760 4.374 3.830 4.719 . 0 0 "[ . 1 . 2]" 1
90 1 13 VAL HB 1 25 LEU HG . . 5.500 5.560 5.052 6.532 1.032 6 1 "[ .+ 1 . 2]" 1
91 1 13 VAL HB 1 55 LEU QD . . 9.130 2.170 1.754 3.183 . 0 0 "[ . 1 . 2]" 1
92 1 13 VAL QG 1 14 ARG H . . 9.120 1.816 1.331 2.940 . 0 0 "[ . 1 . 2]" 1
93 1 13 VAL QG 1 25 LEU QD . . 13.380 3.951 3.560 4.395 . 0 0 "[ . 1 . 2]" 1
94 1 13 VAL QG 1 25 LEU HG . . 7.070 5.257 4.823 5.930 . 0 0 "[ . 1 . 2]" 1
95 1 13 VAL QG 1 55 LEU HA . . 9.120 3.330 2.902 3.895 . 0 0 "[ . 1 . 2]" 1
96 1 13 VAL QG 1 55 LEU QD . . 10.250 2.247 1.922 2.579 . 0 0 "[ . 1 . 2]" 1
97 1 13 VAL MG1 1 25 LEU HG . . 7.560 6.538 5.988 7.350 . 0 0 "[ . 1 . 2]" 1
98 1 13 VAL MG1 1 55 LEU MD1 . . 12.740 3.650 2.758 5.786 . 0 0 "[ . 1 . 2]" 1
99 1 13 VAL MG1 1 55 LEU MD2 . . 12.740 4.110 3.206 5.000 . 0 0 "[ . 1 . 2]" 1
100 1 13 VAL MG2 1 25 LEU HG . . 7.560 5.564 4.992 6.258 . 0 0 "[ . 1 . 2]" 1
101 1 13 VAL MG2 1 55 LEU MD1 . . 12.740 2.984 1.996 4.380 . 0 0 "[ . 1 . 2]" 1
102 1 13 VAL MG2 1 55 LEU MD2 . . 12.740 2.840 1.932 4.002 . 0 0 "[ . 1 . 2]" 1
103 1 14 ARG H 1 56 PRO QD . . 5.500 5.420 4.738 6.077 0.577 7 1 "[ . + 1 . 2]" 1
104 1 15 LYS HA 1 16 SER H . . 3.550 2.962 2.420 3.473 . 0 0 "[ . 1 . 2]" 1
105 1 15 LYS HA 1 17 VAL H . . 4.790 3.228 2.979 3.652 . 0 0 "[ . 1 . 2]" 1
106 1 15 LYS HA 1 17 VAL HB . . 5.500 4.020 3.649 4.788 . 0 0 "[ . 1 . 2]" 1
107 1 15 LYS QB 1 16 SER H . . 6.790 3.894 3.490 4.145 . 0 0 "[ . 1 . 2]" 1
108 1 15 LYS QB 1 17 VAL HB . . 7.130 5.619 4.455 6.596 . 0 0 "[ . 1 . 2]" 1
109 1 15 LYS QB 1 17 VAL QG . . 11.500 5.238 3.980 5.993 . 0 0 "[ . 1 . 2]" 1
110 1 15 LYS QG 1 17 VAL HB . . 7.230 5.294 4.576 6.737 . 0 0 "[ . 1 . 2]" 1
111 1 16 SER H 1 16 SER QB . . 3.570 2.543 2.177 2.707 . 0 0 "[ . 1 . 2]" 1
112 1 16 SER H 1 17 VAL H . . 5.500 2.665 2.409 2.963 . 0 0 "[ . 1 . 2]" 1
113 1 16 SER HA 1 22 ILE HA . . 5.500 4.923 4.419 5.392 . 0 0 "[ . 1 . 2]" 1
114 1 16 SER HA 1 23 VAL HB . . 5.500 4.229 3.749 5.109 . 0 0 "[ . 1 . 2]" 1
115 1 16 SER HA 1 23 VAL QG . . 9.120 1.995 1.650 2.633 . 0 0 "[ . 1 . 2]" 1
116 1 16 SER HA 1 25 LEU QD . . 9.760 3.817 3.112 4.831 . 0 0 "[ . 1 . 2]" 1
117 1 16 SER QB 1 23 VAL HB . . 6.380 5.481 4.888 6.304 . 0 0 "[ . 1 . 2]" 1
118 1 16 SER QB 1 23 VAL MG1 . . 10.680 3.146 2.642 3.935 . 0 0 "[ . 1 . 2]" 1
119 1 16 SER QB 1 23 VAL QG . . 9.080 3.129 2.635 3.897 . 0 0 "[ . 1 . 2]" 1
120 1 16 SER QB 1 23 VAL MG2 . . 10.680 5.618 5.162 6.300 . 0 0 "[ . 1 . 2]" 1
121 1 16 SER QB 1 25 LEU QD . . 9.760 3.228 2.774 3.856 . 0 0 "[ . 1 . 2]" 1
122 1 16 SER QB 1 60 PRO HD2 . . 7.250 5.606 5.106 6.044 . 0 0 "[ . 1 . 2]" 1
123 1 16 SER QB 1 60 PRO QD . . 6.320 5.421 4.961 5.816 . 0 0 "[ . 1 . 2]" 1
124 1 16 SER QB 1 60 PRO HD3 . . 7.250 7.205 6.743 7.569 0.319 13 0 "[ . 1 . 2]" 1
125 1 16 SER QB 1 61 MET QB . . 8.140 7.245 5.061 8.542 0.402 11 0 "[ . 1 . 2]" 1
126 1 16 SER QB 1 61 MET ME . . 8.440 5.773 4.388 6.640 . 0 0 "[ . 1 . 2]" 1
127 1 16 SER QB 1 69 ALA MB . . 8.440 8.451 7.808 8.947 0.507 18 1 "[ . 1 . + 2]" 1
128 1 17 VAL H 1 17 VAL HB . . 2.400 2.132 2.002 2.262 . 0 0 "[ . 1 . 2]" 1
129 1 17 VAL H 1 18 GLN H . . 4.480 4.434 4.296 4.530 0.050 14 0 "[ . 1 . 2]" 1
130 1 17 VAL H 1 18 GLN QE . . 6.370 5.882 4.041 7.087 0.717 10 2 "[ . + - 2]" 1
131 1 17 VAL HA 1 18 GLN H . . 2.400 2.151 2.030 2.234 . 0 0 "[ . 1 . 2]" 1
132 1 17 VAL HA 1 18 GLN HA . . 5.500 4.479 4.428 4.511 . 0 0 "[ . 1 . 2]" 1
133 1 17 VAL HA 1 18 GLN QB . . 6.380 4.541 4.414 4.699 . 0 0 "[ . 1 . 2]" 1
134 1 17 VAL HA 1 22 ILE HA . . 3.390 3.251 2.536 3.827 0.437 15 0 "[ . 1 . 2]" 1
135 1 17 VAL HA 1 22 ILE MD . . 5.850 3.923 2.764 4.864 . 0 0 "[ . 1 . 2]" 1
136 1 17 VAL HA 1 22 ILE QG . . 5.200 3.267 2.552 4.036 . 0 0 "[ . 1 . 2]" 1
137 1 17 VAL HA 1 22 ILE MG . . 7.560 5.297 4.623 5.951 . 0 0 "[ . 1 . 2]" 1
138 1 17 VAL HA 1 23 VAL H . . 4.140 4.448 3.933 4.999 0.859 15 6 "[ * * +*- *2]" 1
139 1 17 VAL HA 1 23 VAL HB . . 5.500 6.084 5.756 6.473 0.973 19 13 "[ ***** -** **** +2]" 1
140 1 17 VAL HA 1 23 VAL QG . . 9.120 4.885 4.411 5.326 . 0 0 "[ . 1 . 2]" 1
141 1 17 VAL HA 1 64 PRO QG . . 6.380 4.400 3.708 5.010 . 0 0 "[ . 1 . 2]" 1
142 1 17 VAL HB 1 18 GLN H . . 3.990 4.510 4.413 4.582 0.592 19 13 "[* *** -*1* ****+*]" 1
143 1 17 VAL HB 1 60 PRO QD . . 6.380 6.791 5.865 7.770 1.390 15 9 "[** . **- *+** 2]" 1
144 1 17 VAL HB 1 64 PRO HA . . 5.500 5.354 4.419 5.837 0.337 1 0 "[ . 1 . 2]" 1
145 1 17 VAL QG 1 18 GLN H . . 7.760 3.061 2.806 3.283 . 0 0 "[ . 1 . 2]" 1
146 1 17 VAL QG 1 18 GLN HA . . 9.740 3.579 3.366 3.775 . 0 0 "[ . 1 . 2]" 1
147 1 17 VAL QG 1 18 GLN QB . . 10.620 4.527 4.385 4.661 . 0 0 "[ . 1 . 2]" 1
148 1 17 VAL QG 1 19 ASP H . . 9.740 5.197 4.945 5.418 . 0 0 "[ . 1 . 2]" 1
149 1 17 VAL QG 1 22 ILE HB . . 9.740 3.971 2.603 4.998 . 0 0 "[ . 1 . 2]" 1
150 1 17 VAL QG 1 22 ILE QG . . 9.740 3.370 2.341 4.248 . 0 0 "[ . 1 . 2]" 1
151 1 17 VAL QG 1 22 ILE MG . . 11.800 4.799 3.754 5.584 . 0 0 "[ . 1 . 2]" 1
152 1 17 VAL QG 1 23 VAL H . . 9.740 5.113 4.568 5.555 . 0 0 "[ . 1 . 2]" 1
153 1 17 VAL QG 1 59 TYR HA . . 9.740 5.948 5.060 6.702 . 0 0 "[ . 1 . 2]" 1
154 1 17 VAL QG 1 59 TYR QD . . 14.020 3.993 3.010 4.970 . 0 0 "[ . 1 . 2]" 1
155 1 17 VAL QG 1 59 TYR QE . . 14.000 2.837 1.948 5.247 . 0 0 "[ . 1 . 2]" 1
156 1 17 VAL QG 1 60 PRO HA . . 9.740 6.636 5.822 7.432 . 0 0 "[ . 1 . 2]" 1
157 1 17 VAL QG 1 60 PRO QB . . 9.740 5.029 4.348 6.005 . 0 0 "[ . 1 . 2]" 1
158 1 17 VAL QG 1 60 PRO HD2 . . 9.740 4.571 3.732 5.344 . 0 0 "[ . 1 . 2]" 1
159 1 17 VAL QG 1 60 PRO QD . . 9.550 4.395 3.627 5.090 . 0 0 "[ . 1 . 2]" 1
160 1 17 VAL QG 1 60 PRO HD3 . . 9.740 5.711 4.943 6.400 . 0 0 "[ . 1 . 2]" 1
161 1 17 VAL QG 1 60 PRO QG . . 10.620 3.666 2.972 4.528 . 0 0 "[ . 1 . 2]" 1
162 1 17 VAL QG 1 62 VAL HA . . 9.740 6.753 5.873 7.647 . 0 0 "[ . 1 . 2]" 1
163 1 17 VAL QG 1 63 ALA HA . . 9.740 4.759 3.472 5.662 . 0 0 "[ . 1 . 2]" 1
164 1 17 VAL QG 1 63 ALA MB . . 11.800 5.120 4.300 5.555 . 0 0 "[ . 1 . 2]" 1
165 1 17 VAL QG 1 64 PRO QD . . 10.620 3.174 2.070 4.067 . 0 0 "[ . 1 . 2]" 1
166 1 17 VAL QG 1 64 PRO HG2 . . 9.740 3.821 3.508 4.010 . 0 0 "[ . 1 . 2]" 1
167 1 17 VAL QG 1 64 PRO HG3 . . 9.740 3.013 2.255 3.716 . 0 0 "[ . 1 . 2]" 1
168 1 18 GLN H 1 19 ASP H . . 4.230 4.376 4.237 4.466 0.236 16 0 "[ . 1 . 2]" 1
169 1 18 GLN H 1 21 HIS H . . 5.500 3.389 3.166 3.550 . 0 0 "[ . 1 . 2]" 1
170 1 18 GLN H 1 22 ILE HA . . 4.350 3.200 2.933 3.486 . 0 0 "[ . 1 . 2]" 1
171 1 18 GLN H 1 22 ILE MD . . 7.560 5.077 4.323 5.625 . 0 0 "[ . 1 . 2]" 1
172 1 18 GLN H 1 22 ILE QG . . 5.500 4.369 4.007 4.701 . 0 0 "[ . 1 . 2]" 1
173 1 18 GLN H 1 22 ILE MG . . 7.560 5.541 5.232 5.889 . 0 0 "[ . 1 . 2]" 1
174 1 18 GLN HA 1 18 GLN QB . . 2.730 2.315 2.207 2.390 . 0 0 "[ . 1 . 2]" 1
175 1 18 GLN HA 1 19 ASP H . . 2.830 2.780 2.651 3.003 0.173 12 0 "[ . 1 . 2]" 1
176 1 18 GLN HA 1 19 ASP QB . . 5.830 4.830 4.242 5.116 . 0 0 "[ . 1 . 2]" 1
177 1 18 GLN HA 1 20 ASP H . . 4.660 5.059 4.963 5.151 0.491 13 0 "[ . 1 . 2]" 1
178 1 18 GLN HA 1 21 HIS H . . 4.720 4.875 4.812 4.977 0.257 5 0 "[ . 1 . 2]" 1
179 1 18 GLN HA 1 22 ILE QG . . 6.380 6.922 6.608 7.224 0.844 4 12 "[-* +.* * ****** *2]" 1
180 1 18 GLN QB 1 19 ASP H . . 3.550 2.046 1.890 2.157 . 0 0 "[ . 1 . 2]" 1
181 1 18 GLN QB 1 19 ASP QB . . 8.140 3.740 3.533 3.901 . 0 0 "[ . 1 . 2]" 1
182 1 18 GLN QB 1 20 ASP H . . 4.440 4.686 4.436 4.934 0.494 19 0 "[ . 1 . 2]" 1
183 1 18 GLN QB 1 21 HIS H . . 4.030 3.246 2.945 3.645 . 0 0 "[ . 1 . 2]" 1
184 1 18 GLN HB2 1 19 ASP H . . 3.950 2.916 2.565 3.180 . 0 0 "[ . 1 . 2]" 1
185 1 18 GLN HB2 1 20 ASP H . . 5.100 5.058 4.700 5.510 0.410 19 0 "[ . 1 . 2]" 1
186 1 18 GLN HB2 1 21 HIS H . . 4.380 3.327 2.989 3.786 . 0 0 "[ . 1 . 2]" 1
187 1 18 GLN HB2 1 21 HIS HE1 . . 5.500 4.201 3.814 4.445 . 0 0 "[ . 1 . 2]" 1
188 1 18 GLN HB3 1 19 ASP H . . 3.950 2.098 1.908 2.319 . 0 0 "[ . 1 . 2]" 1
189 1 18 GLN HB3 1 20 ASP H . . 5.100 5.564 5.396 5.882 0.782 12 6 "[ ** .* -1 +* . 2]" 1
190 1 18 GLN HB3 1 21 HIS H . . 4.380 4.575 4.378 4.882 0.502 12 1 "[ . 1 + . 2]" 1
191 1 18 GLN HB3 1 21 HIS HE1 . . 5.500 3.799 3.380 4.191 . 0 0 "[ . 1 . 2]" 1
192 1 18 GLN QG 1 19 ASP H . . 5.500 4.007 3.804 4.113 . 0 0 "[ . 1 . 2]" 1
193 1 18 GLN QG 1 20 ASP H . . 6.380 6.236 6.032 6.489 0.109 19 0 "[ . 1 . 2]" 1
194 1 18 GLN QG 1 20 ASP HA . . 6.380 7.241 6.939 7.617 1.237 18 20 [***********-*****+**] 1
195 1 18 GLN QG 1 21 HIS H . . 5.500 4.901 4.422 5.389 . 0 0 "[ . 1 . 2]" 1
196 1 18 GLN QG 1 21 HIS HD2 . . 6.380 3.762 2.679 4.412 . 0 0 "[ . 1 . 2]" 1
197 1 18 GLN QG 1 21 HIS HE1 . . 5.500 5.402 4.573 5.794 0.294 20 0 "[ . 1 . 2]" 1
198 1 19 ASP H 1 20 ASP H . . 3.860 4.102 4.030 4.168 0.308 18 0 "[ . 1 . 2]" 1
199 1 19 ASP HA 1 20 ASP H . . 3.610 2.285 2.125 2.359 . 0 0 "[ . 1 . 2]" 1
200 1 19 ASP QB 1 20 ASP H . . 4.250 3.870 3.710 4.122 . 0 0 "[ . 1 . 2]" 1
201 1 19 ASP QB 1 20 ASP HA . . 5.490 5.365 5.272 5.686 0.196 11 0 "[ . 1 . 2]" 1
202 1 19 ASP QB 1 21 HIS H . . 5.180 4.556 4.261 4.770 . 0 0 "[ . 1 . 2]" 1
203 1 19 ASP QB 1 64 PRO QB . . 8.140 7.055 6.474 8.076 . 0 0 "[ . 1 . 2]" 1
204 1 20 ASP H 1 20 ASP HA . . 2.680 2.288 2.233 2.377 . 0 0 "[ . 1 . 2]" 1
205 1 20 ASP H 1 20 ASP HB2 . . 4.110 3.338 2.987 3.554 . 0 0 "[ . 1 . 2]" 1
206 1 20 ASP H 1 20 ASP QB . . 3.690 3.180 2.850 3.355 . 0 0 "[ . 1 . 2]" 1
207 1 20 ASP H 1 20 ASP HB3 . . 4.110 4.005 3.600 4.140 0.030 13 0 "[ . 1 . 2]" 1
208 1 20 ASP H 1 21 HIS H . . 3.330 2.787 2.705 3.001 . 0 0 "[ . 1 . 2]" 1
209 1 20 ASP H 1 65 ALA MB . . 7.560 6.182 4.975 7.146 . 0 0 "[ . 1 . 2]" 1
210 1 20 ASP HA 1 21 HIS H . . 3.020 2.901 2.733 2.994 . 0 0 "[ . 1 . 2]" 1
211 1 20 ASP HA 1 63 ALA HA . . 4.480 4.553 4.271 4.917 0.437 16 0 "[ . 1 . 2]" 1
212 1 20 ASP HA 1 63 ALA MB . . 7.560 3.843 3.257 4.234 . 0 0 "[ . 1 . 2]" 1
213 1 20 ASP HA 1 64 PRO QD . . 6.380 2.580 2.287 2.838 . 0 0 "[ . 1 . 2]" 1
214 1 20 ASP HA 1 65 ALA MB . . 7.560 5.622 4.731 6.535 . 0 0 "[ . 1 . 2]" 1
215 1 20 ASP QB 1 32 LYS QE . . 8.140 4.992 2.126 7.652 . 0 0 "[ . 1 . 2]" 1
216 1 20 ASP QB 1 64 PRO QG . . 7.250 4.053 3.458 4.945 . 0 0 "[ . 1 . 2]" 1
217 1 20 ASP HB2 1 65 ALA MB . . 7.560 6.833 5.011 8.012 0.452 12 0 "[ . 1 . 2]" 1
218 1 20 ASP HB3 1 65 ALA MB . . 7.560 6.876 5.968 7.550 . 0 0 "[ . 1 . 2]" 1
219 1 21 HIS H 1 21 HIS HA . . 2.740 2.953 2.894 3.010 0.270 2 0 "[ . 1 . 2]" 1
220 1 21 HIS H 1 21 HIS QB . . 3.870 3.271 3.213 3.395 . 0 0 "[ . 1 . 2]" 1
221 1 21 HIS H 1 21 HIS HE1 . . 5.500 5.170 4.904 5.892 0.392 19 0 "[ . 1 . 2]" 1
222 1 21 HIS H 1 22 ILE H . . 5.160 4.104 3.758 4.288 . 0 0 "[ . 1 . 2]" 1
223 1 21 HIS H 1 32 LYS QB . . 7.260 6.179 5.362 6.868 . 0 0 "[ . 1 . 2]" 1
224 1 21 HIS H 1 63 ALA MB . . 7.560 5.417 4.725 6.122 . 0 0 "[ . 1 . 2]" 1
225 1 21 HIS HA 1 21 HIS QB . . 2.590 2.097 2.077 2.120 . 0 0 "[ . 1 . 2]" 1
226 1 21 HIS HA 1 22 ILE H . . 2.740 2.075 2.011 2.220 . 0 0 "[ . 1 . 2]" 1
227 1 21 HIS HA 1 22 ILE HB . . 4.450 4.364 4.115 4.780 0.330 12 0 "[ . 1 . 2]" 1
228 1 21 HIS HA 1 31 PHE H . . 4.760 3.884 3.465 4.979 0.219 11 0 "[ . 1 . 2]" 1
229 1 21 HIS HA 1 32 LYS HA . . 2.860 2.891 2.264 3.161 0.301 10 0 "[ . 1 . 2]" 1
230 1 21 HIS HA 1 32 LYS QG . . 6.380 4.047 2.004 6.025 . 0 0 "[ . 1 . 2]" 1
231 1 21 HIS QB 1 22 ILE H . . 3.950 3.091 2.817 3.552 . 0 0 "[ . 1 . 2]" 1
232 1 21 HIS QB 1 23 VAL HB . . 6.380 5.511 5.264 5.684 . 0 0 "[ . 1 . 2]" 1
233 1 21 HIS QB 1 30 SER QB . . 6.050 2.528 1.633 3.268 . 0 0 "[ . 1 . 2]" 1
234 1 21 HIS QB 1 31 PHE H . . 5.980 3.194 2.735 4.529 . 0 0 "[ . 1 . 2]" 1
235 1 21 HIS QB 1 31 PHE QD . . 10.620 5.115 4.785 6.120 . 0 0 "[ . 1 . 2]" 1
236 1 21 HIS HB2 1 22 ILE H . . 4.420 3.206 2.873 3.747 . 0 0 "[ . 1 . 2]" 1
237 1 21 HIS HB2 1 30 SER HB2 . . 7.250 3.710 2.479 4.335 . 0 0 "[ . 1 . 2]" 1
238 1 21 HIS HB2 1 30 SER HB3 . . 7.250 2.641 1.653 3.469 . 0 0 "[ . 1 . 2]" 1
239 1 21 HIS HB3 1 22 ILE H . . 4.420 4.074 3.879 4.408 . 0 0 "[ . 1 . 2]" 1
240 1 21 HIS HB3 1 30 SER HB2 . . 7.250 5.240 3.926 5.993 . 0 0 "[ . 1 . 2]" 1
241 1 21 HIS HB3 1 30 SER HB3 . . 7.250 4.152 3.369 4.870 . 0 0 "[ . 1 . 2]" 1
242 1 21 HIS HD2 1 23 VAL HB . . 5.500 4.093 3.480 4.370 . 0 0 "[ . 1 . 2]" 1
243 1 21 HIS HD2 1 23 VAL MG1 . . 7.560 5.393 4.677 5.683 . 0 0 "[ . 1 . 2]" 1
244 1 21 HIS HD2 1 23 VAL QG . . 7.100 4.163 3.909 4.441 . 0 0 "[ . 1 . 2]" 1
245 1 21 HIS HD2 1 23 VAL MG2 . . 7.560 4.341 4.013 4.745 . 0 0 "[ . 1 . 2]" 1
246 1 21 HIS HD2 1 30 SER HA . . 5.500 4.568 4.140 4.906 . 0 0 "[ . 1 . 2]" 1
247 1 21 HIS HD2 1 30 SER HB2 . . 5.500 3.023 2.448 3.418 . 0 0 "[ . 1 . 2]" 1
248 1 21 HIS HD2 1 30 SER QB . . 5.250 2.470 1.901 2.988 . 0 0 "[ . 1 . 2]" 1
249 1 21 HIS HD2 1 30 SER HB3 . . 5.500 2.692 1.938 3.533 . 0 0 "[ . 1 . 2]" 1
250 1 22 ILE H 1 22 ILE HB . . 2.400 2.813 2.278 3.122 0.722 4 7 "[ *+. * * * -* 2]" 1
251 1 22 ILE H 1 31 PHE H . . 4.660 2.992 2.592 4.165 . 0 0 "[ . 1 . 2]" 1
252 1 22 ILE H 1 32 LYS HA . . 4.170 3.173 1.787 3.699 . 0 0 "[ . 1 . 2]" 1
253 1 22 ILE H 1 63 ALA MB . . 7.030 5.128 4.477 6.104 . 0 0 "[ . 1 . 2]" 1
254 1 22 ILE HA 1 22 ILE HB . . 2.710 2.456 2.391 2.587 . 0 0 "[ . 1 . 2]" 1
255 1 22 ILE HA 1 23 VAL H . . 2.520 2.134 2.029 2.252 . 0 0 "[ . 1 . 2]" 1
256 1 22 ILE HA 1 23 VAL QG . . 9.120 3.810 3.593 3.976 . 0 0 "[ . 1 . 2]" 1
257 1 22 ILE HB 1 31 PHE H . . 4.480 5.314 5.089 5.551 1.071 5 20 [*-**+***************] 1
258 1 22 ILE HB 1 63 ALA HA . . 5.500 3.397 2.865 4.179 . 0 0 "[ . 1 . 2]" 1
259 1 22 ILE MD 1 23 VAL QG . . 11.180 4.355 2.741 5.055 . 0 0 "[ . 1 . 2]" 1
260 1 22 ILE MD 1 25 LEU QB . . 8.440 6.408 4.929 7.274 . 0 0 "[ . 1 . 2]" 1
261 1 22 ILE MD 1 25 LEU HG . . 7.560 6.929 4.820 7.950 0.390 8 0 "[ . 1 . 2]" 1
262 1 22 ILE MD 1 33 SER HA . . 7.560 5.093 3.828 6.264 . 0 0 "[ . 1 . 2]" 1
263 1 22 ILE MD 1 34 LEU H . . 7.560 4.056 2.501 5.086 . 0 0 "[ . 1 . 2]" 1
264 1 22 ILE MD 1 34 LEU HB2 . . 7.560 3.477 2.283 4.938 . 0 0 "[ . 1 . 2]" 1
265 1 22 ILE MD 1 34 LEU HB3 . . 7.560 3.645 2.509 5.258 . 0 0 "[ . 1 . 2]" 1
266 1 22 ILE MD 1 34 LEU QD . . 11.190 3.311 1.769 4.476 . 0 0 "[ . 1 . 2]" 1
267 1 22 ILE MD 1 59 TYR QD . . 11.840 3.466 2.172 4.169 . 0 0 "[ . 1 . 2]" 1
268 1 22 ILE MD 1 59 TYR QE . . 11.820 2.083 1.785 2.555 . 0 0 "[ . 1 . 2]" 1
269 1 22 ILE MD 1 60 PRO HA . . 7.560 5.333 4.748 6.650 . 0 0 "[ . 1 . 2]" 1
270 1 22 ILE MD 1 60 PRO QB . . 7.560 4.466 3.525 6.369 . 0 0 "[ . 1 . 2]" 1
271 1 22 ILE MD 1 60 PRO HD2 . . 7.560 5.080 4.126 6.489 . 0 0 "[ . 1 . 2]" 1
272 1 22 ILE MD 1 60 PRO HD3 . . 7.560 6.164 5.236 7.709 0.149 19 0 "[ . 1 . 2]" 1
273 1 22 ILE MD 1 60 PRO QG . . 8.440 4.021 2.782 5.989 . 0 0 "[ . 1 . 2]" 1
274 1 22 ILE MD 1 61 MET HA . . 7.560 2.851 2.071 3.638 . 0 0 "[ . 1 . 2]" 1
275 1 22 ILE MD 1 62 VAL H . . 7.060 3.429 2.535 4.771 . 0 0 "[ . 1 . 2]" 1
276 1 22 ILE MD 1 62 VAL HA . . 7.560 4.248 3.285 5.534 . 0 0 "[ . 1 . 2]" 1
277 1 22 ILE MD 1 63 ALA H . . 6.100 4.912 3.748 6.190 0.090 13 0 "[ . 1 . 2]" 1
278 1 22 ILE MD 1 63 ALA HA . . 7.560 4.392 3.125 5.861 . 0 0 "[ . 1 . 2]" 1
279 1 22 ILE MD 1 63 ALA MB . . 9.620 5.226 4.336 6.409 . 0 0 "[ . 1 . 2]" 1
280 1 22 ILE MD 1 64 PRO QD . . 8.440 4.138 3.170 5.648 . 0 0 "[ . 1 . 2]" 1
281 1 22 ILE QG 1 31 PHE H . . 5.360 5.476 5.026 5.971 0.611 19 2 "[ . 1 . -+2]" 1
282 1 22 ILE QG 1 31 PHE QD . . 10.620 5.062 4.420 6.093 . 0 0 "[ . 1 . 2]" 1
283 1 22 ILE QG 1 33 SER HA . . 6.380 5.945 5.217 6.348 . 0 0 "[ . 1 . 2]" 1
284 1 22 ILE QG 1 34 LEU HB2 . . 7.250 3.650 2.725 4.620 . 0 0 "[ . 1 . 2]" 1
285 1 22 ILE QG 1 34 LEU QB . . 6.320 3.433 2.673 4.267 . 0 0 "[ . 1 . 2]" 1
286 1 22 ILE QG 1 34 LEU HB3 . . 7.250 4.296 3.374 5.617 . 0 0 "[ . 1 . 2]" 1
287 1 22 ILE QG 1 60 PRO QD . . 7.250 6.051 5.594 6.691 . 0 0 "[ . 1 . 2]" 1
288 1 22 ILE QG 1 63 ALA MB . . 7.510 5.974 4.936 6.737 . 0 0 "[ . 1 . 2]" 1
289 1 22 ILE MG 1 23 VAL H . . 6.260 3.965 3.624 4.147 . 0 0 "[ . 1 . 2]" 1
290 1 22 ILE MG 1 23 VAL QG . . 11.180 4.713 4.382 4.889 . 0 0 "[ . 1 . 2]" 1
291 1 22 ILE MG 1 25 LEU HG . . 7.560 8.197 6.952 8.903 1.343 15 14 "[****. **-* * *+ ** *]" 1
292 1 22 ILE MG 1 31 PHE QD . . 11.800 2.346 2.042 3.077 . 0 0 "[ . 1 . 2]" 1
293 1 22 ILE MG 1 33 SER HA . . 7.560 3.311 3.004 3.664 . 0 0 "[ . 1 . 2]" 1
294 1 22 ILE MG 1 34 LEU QD . . 11.190 3.154 2.146 3.875 . 0 0 "[ . 1 . 2]" 1
295 1 22 ILE MG 1 59 TYR QD . . 11.840 5.974 5.114 6.606 . 0 0 "[ . 1 . 2]" 1
296 1 22 ILE MG 1 59 TYR QE . . 11.820 4.565 3.721 5.109 . 0 0 "[ . 1 . 2]" 1
297 1 22 ILE MG 1 63 ALA H . . 7.560 3.834 3.037 4.889 . 0 0 "[ . 1 . 2]" 1
298 1 22 ILE O 1 31 PHE H . . 2.600 2.259 2.084 2.667 0.067 11 0 "[ . 1 . 2]" 1
299 1 23 VAL H 1 23 VAL HB . . 3.050 2.513 2.374 2.660 . 0 0 "[ . 1 . 2]" 1
300 1 23 VAL HA 1 24 CYS H . . 2.930 2.101 2.049 2.166 . 0 0 "[ . 1 . 2]" 1
301 1 23 VAL HA 1 24 CYS HB2 . . 5.130 4.393 4.332 4.528 . 0 0 "[ . 1 . 2]" 1
302 1 23 VAL HA 1 30 SER HA . . 2.430 2.587 2.345 3.072 0.642 19 2 "[ . 1- . +2]" 1
303 1 23 VAL HA 1 31 PHE H . . 4.540 4.042 3.757 4.673 0.133 19 0 "[ . 1 . 2]" 1
304 1 23 VAL HA 1 31 PHE QD . . 9.740 5.532 5.090 6.389 . 0 0 "[ . 1 . 2]" 1
305 1 23 VAL HB 1 24 CYS H . . 4.380 4.291 4.118 4.403 0.023 11 0 "[ . 1 . 2]" 1
306 1 23 VAL QG 1 24 CYS H . . 6.360 2.706 2.534 2.947 . 0 0 "[ . 1 . 2]" 1
307 1 23 VAL QG 1 25 LEU H . . 9.120 3.813 3.471 4.250 . 0 0 "[ . 1 . 2]" 1
308 1 23 VAL QG 1 25 LEU HG . . 9.120 4.706 3.152 5.165 . 0 0 "[ . 1 . 2]" 1
309 1 23 VAL QG 1 28 GLY H . . 8.560 3.871 3.440 4.065 . 0 0 "[ . 1 . 2]" 1
310 1 23 VAL QG 1 28 GLY QA . . 7.460 3.070 2.477 3.439 . 0 0 "[ . 1 . 2]" 1
311 1 23 VAL QG 1 29 GLY H . . 9.120 4.820 4.518 5.102 . 0 0 "[ . 1 . 2]" 1
312 1 23 VAL QG 1 30 SER QB . . 9.080 3.016 2.148 3.837 . 0 0 "[ . 1 . 2]" 1
313 1 23 VAL QG 1 31 PHE H . . 9.120 5.015 4.706 5.612 . 0 0 "[ . 1 . 2]" 1
314 1 23 VAL QG 1 62 VAL HA . . 9.120 8.763 8.047 9.285 0.165 6 0 "[ . 1 . 2]" 1
315 1 23 VAL MG1 1 24 CYS H . . 7.560 4.010 3.885 4.184 . 0 0 "[ . 1 . 2]" 1
316 1 23 VAL MG1 1 25 LEU HA . . 7.560 4.401 4.275 4.709 . 0 0 "[ . 1 . 2]" 1
317 1 23 VAL MG1 1 28 GLY QA . . 9.310 4.965 4.535 5.213 . 0 0 "[ . 1 . 2]" 1
318 1 23 VAL MG1 1 30 SER HA . . 7.560 5.316 5.118 5.660 . 0 0 "[ . 1 . 2]" 1
319 1 23 VAL MG1 1 30 SER HB2 . . 10.680 5.468 4.758 6.403 . 0 0 "[ . 1 . 2]" 1
320 1 23 VAL MG1 1 30 SER HB3 . . 10.680 6.029 5.342 6.789 . 0 0 "[ . 1 . 2]" 1
321 1 23 VAL MG2 1 24 CYS H . . 7.560 2.752 2.568 3.012 . 0 0 "[ . 1 . 2]" 1
322 1 23 VAL MG2 1 25 LEU HA . . 7.560 4.678 4.433 4.805 . 0 0 "[ . 1 . 2]" 1
323 1 23 VAL MG2 1 28 GLY QA . . 9.310 3.102 2.488 3.490 . 0 0 "[ . 1 . 2]" 1
324 1 23 VAL MG2 1 30 SER HA . . 7.560 3.765 3.435 4.494 . 0 0 "[ . 1 . 2]" 1
325 1 23 VAL MG2 1 30 SER HB2 . . 10.680 3.235 2.164 4.431 . 0 0 "[ . 1 . 2]" 1
326 1 23 VAL MG2 1 30 SER HB3 . . 10.680 4.233 3.803 4.901 . 0 0 "[ . 1 . 2]" 1
327 1 24 CYS H 1 24 CYS HA . . 2.860 2.870 2.802 2.923 0.063 8 0 "[ . 1 . 2]" 1
328 1 24 CYS H 1 24 CYS HB2 . . 2.550 2.559 2.449 2.634 0.084 6 0 "[ . 1 . 2]" 1
329 1 24 CYS H 1 24 CYS HB3 . . 2.400 2.585 2.530 2.620 0.220 8 0 "[ . 1 . 2]" 1
330 1 24 CYS H 1 29 GLY H . . 4.480 4.651 4.429 4.916 0.436 8 0 "[ . 1 . 2]" 1
331 1 24 CYS H 1 29 GLY O . . 2.600 1.977 1.790 2.456 . 0 0 "[ . 1 . 2]" 1
332 1 24 CYS H 1 30 SER HA . . 2.800 2.947 2.759 3.115 0.315 14 0 "[ . 1 . 2]" 1
333 1 24 CYS H 1 31 PHE QD . . 9.740 5.315 5.085 5.615 . 0 0 "[ . 1 . 2]" 1
334 1 24 CYS H 1 31 PHE QE . . 9.740 4.067 3.618 4.371 . 0 0 "[ . 1 . 2]" 1
335 1 24 CYS H 1 31 PHE HZ . . 5.470 4.131 3.894 4.352 . 0 0 "[ . 1 . 2]" 1
336 1 24 CYS HA 1 24 CYS HB2 . . 2.800 2.471 2.451 2.484 . 0 0 "[ . 1 . 2]" 1
337 1 24 CYS HA 1 24 CYS HB3 . . 3.020 3.023 3.020 3.024 0.004 19 0 "[ . 1 . 2]" 1
338 1 24 CYS HA 1 25 LEU H . . 2.400 2.251 2.082 2.378 . 0 0 "[ . 1 . 2]" 1
339 1 24 CYS HA 1 34 LEU QD . . 8.450 2.320 1.588 3.036 . 0 0 "[ . 1 . 2]" 1
340 1 24 CYS HA 1 49 TYR HH . . 5.500 5.341 3.522 7.065 1.565 13 5 "[ * -1 + .* *2]" 1
341 1 24 CYS HB2 1 27 CYS H . . 5.500 5.440 5.185 5.652 0.152 7 0 "[ . 1 . 2]" 1
342 1 24 CYS HB2 1 28 GLY H . . 4.140 4.279 4.145 4.423 0.283 7 0 "[ . 1 . 2]" 1
343 1 24 CYS HB2 1 29 GLY H . . 4.630 4.799 4.393 5.156 0.526 19 1 "[ . 1 . +2]" 1
344 1 24 CYS HB2 1 31 PHE QD . . 9.740 4.293 3.911 4.608 . 0 0 "[ . 1 . 2]" 1
345 1 24 CYS HB2 1 31 PHE QE . . 9.740 2.611 2.136 2.876 . 0 0 "[ . 1 . 2]" 1
346 1 24 CYS HB2 1 34 LEU QD . . 9.130 3.243 2.464 3.671 . 0 0 "[ . 1 . 2]" 1
347 1 24 CYS HB2 1 37 HIS QB . . 6.380 4.880 4.471 5.155 . 0 0 "[ . 1 . 2]" 1
348 1 24 CYS HB2 1 37 HIS HD2 . . 5.500 4.107 3.470 4.915 . 0 0 "[ . 1 . 2]" 1
349 1 24 CYS HB3 1 28 GLY H . . 3.920 2.573 2.407 2.744 . 0 0 "[ . 1 . 2]" 1
350 1 24 CYS HB3 1 31 PHE QD . . 9.740 5.531 5.108 5.879 . 0 0 "[ . 1 . 2]" 1
351 1 24 CYS HB3 1 31 PHE QE . . 9.740 3.791 3.203 4.091 . 0 0 "[ . 1 . 2]" 1
352 1 24 CYS HB3 1 31 PHE HZ . . 5.500 3.568 3.330 3.785 . 0 0 "[ . 1 . 2]" 1
353 1 24 CYS HB3 1 34 LEU QD . . 9.130 4.198 3.725 4.436 . 0 0 "[ . 1 . 2]" 1
354 1 24 CYS HB3 1 37 HIS HD2 . . 5.500 4.967 4.392 5.573 0.073 11 0 "[ . 1 . 2]" 1
355 1 24 CYS HB3 1 37 HIS HE1 . . 5.500 5.462 4.955 5.636 0.136 20 0 "[ . 1 . 2]" 1
356 1 24 CYS HB3 1 42 HIS HE1 . . 5.500 5.210 4.820 5.492 . 0 0 "[ . 1 . 2]" 1
357 1 24 CYS SG 1 27 CYS SG . . 4.200 4.162 3.737 4.256 0.056 4 0 "[ . 1 . 2]" 1
358 1 24 CYS SG 1 37 HIS NE2 . . 3.790 3.209 3.113 3.294 . 0 0 "[ . 1 . 2]" 1
359 1 24 CYS SG 1 42 HIS NE2 . . 3.640 3.201 3.096 3.302 . 0 0 "[ . 1 . 2]" 1
360 1 25 LEU H 1 25 LEU HB2 . . 3.550 2.308 2.234 2.480 . 0 0 "[ . 1 . 2]" 1
361 1 25 LEU H 1 25 LEU QB . . 3.360 2.282 2.211 2.440 . 0 0 "[ . 1 . 2]" 1
362 1 25 LEU H 1 25 LEU HB3 . . 3.550 3.592 3.539 3.649 0.099 6 0 "[ . 1 . 2]" 1
363 1 25 LEU H 1 25 LEU HG . . 4.940 3.876 2.527 4.071 . 0 0 "[ . 1 . 2]" 1
364 1 25 LEU H 1 26 GLU H . . 4.600 4.625 4.569 4.695 0.095 8 0 "[ . 1 . 2]" 1
365 1 25 LEU H 1 49 TYR HH . . 5.500 4.238 2.447 5.881 0.381 5 0 "[ . 1 . 2]" 1
366 1 25 LEU HA 1 25 LEU HB2 . . 2.930 2.977 2.954 3.016 0.086 13 0 "[ . 1 . 2]" 1
367 1 25 LEU HA 1 25 LEU QB . . 2.680 2.413 2.342 2.434 . 0 0 "[ . 1 . 2]" 1
368 1 25 LEU HA 1 25 LEU HB3 . . 2.930 2.551 2.440 2.582 . 0 0 "[ . 1 . 2]" 1
369 1 25 LEU HA 1 26 GLU H . . 3.020 2.160 2.078 2.251 . 0 0 "[ . 1 . 2]" 1
370 1 25 LEU HA 1 28 GLY QA . . 4.860 4.909 4.714 5.070 0.210 14 0 "[ . 1 . 2]" 1
371 1 25 LEU HA 1 49 TYR HH . . 5.500 4.753 4.158 5.816 0.316 5 0 "[ . 1 . 2]" 1
372 1 25 LEU HA 1 53 TRP HH2 . . 5.500 4.741 4.425 5.021 . 0 0 "[ . 1 . 2]" 1
373 1 25 LEU HA 1 53 TRP HZ2 . . 5.500 4.391 3.934 4.845 . 0 0 "[ . 1 . 2]" 1
374 1 25 LEU HA 1 53 TRP HZ3 . . 5.500 5.546 5.333 5.773 0.273 20 0 "[ . 1 . 2]" 1
375 1 25 LEU HA 1 61 MET ME . . 7.560 7.607 6.126 8.703 1.143 20 3 "[ * - 1 . +]" 1
376 1 25 LEU QB 1 26 GLU H . . 5.670 2.886 2.755 3.042 . 0 0 "[ . 1 . 2]" 1
377 1 25 LEU QB 1 26 GLU QB . . 7.250 3.405 3.291 3.568 . 0 0 "[ . 1 . 2]" 1
378 1 25 LEU QB 1 38 LEU QD . . 10.010 4.547 3.653 5.153 . 0 0 "[ . 1 . 2]" 1
379 1 25 LEU QB 1 53 TRP HZ2 . . 6.380 3.362 2.891 3.915 . 0 0 "[ . 1 . 2]" 1
380 1 25 LEU HB2 1 61 MET ME . . 7.560 5.226 3.827 6.235 . 0 0 "[ . 1 . 2]" 1
381 1 25 LEU HB3 1 61 MET ME . . 7.560 6.351 5.102 7.297 . 0 0 "[ . 1 . 2]" 1
382 1 25 LEU QD 1 26 GLU HA . . 9.760 4.802 4.496 5.800 . 0 0 "[ . 1 . 2]" 1
383 1 25 LEU QD 1 49 TYR HH . . 9.760 4.229 2.167 5.542 . 0 0 "[ . 1 . 2]" 1
384 1 25 LEU QD 1 53 TRP HE3 . . 9.760 3.043 2.800 3.402 . 0 0 "[ . 1 . 2]" 1
385 1 25 LEU QD 1 53 TRP HH2 . . 9.760 3.470 3.114 4.905 . 0 0 "[ . 1 . 2]" 1
386 1 25 LEU QD 1 61 MET ME . . 11.820 4.404 2.953 5.529 . 0 0 "[ . 1 . 2]" 1
387 1 25 LEU HG 1 49 TYR HH . . 5.500 5.196 2.401 6.732 1.232 5 2 "[ + -1 . 2]" 1
388 1 25 LEU HG 1 53 TRP HB2 . . 5.500 4.430 3.637 5.960 0.460 6 0 "[ . 1 . 2]" 1
389 1 25 LEU HG 1 53 TRP HB3 . . 5.500 3.946 3.512 5.695 0.195 6 0 "[ . 1 . 2]" 1
390 1 25 LEU HG 1 53 TRP HD1 . . 5.500 4.958 4.280 6.062 0.562 6 1 "[ .+ 1 . 2]" 1
391 1 25 LEU HG 1 53 TRP HE3 . . 5.500 4.077 3.579 5.772 0.272 6 0 "[ . 1 . 2]" 1
392 1 25 LEU HG 1 53 TRP HH2 . . 5.500 5.681 5.038 6.301 0.801 6 2 "[ .+ 1 - . 2]" 1
393 1 25 LEU HG 1 53 TRP HZ2 . . 5.500 5.512 5.030 6.071 0.571 2 2 "[ + .- 1 . 2]" 1
394 1 25 LEU HG 1 53 TRP HZ3 . . 5.500 5.027 4.570 6.168 0.668 6 1 "[ .+ 1 . 2]" 1
395 1 25 LEU HG 1 55 LEU MD1 . . 7.560 3.602 2.805 5.326 . 0 0 "[ . 1 . 2]" 1
396 1 25 LEU HG 1 55 LEU MD2 . . 7.560 3.406 2.434 5.200 . 0 0 "[ . 1 . 2]" 1
397 1 25 LEU HG 1 59 TYR QE . . 9.760 6.142 4.299 8.268 . 0 0 "[ . 1 . 2]" 1
398 1 26 GLU H 1 26 GLU HA . . 2.460 2.308 2.229 2.395 . 0 0 "[ . 1 . 2]" 1
399 1 26 GLU H 1 26 GLU HB2 . . 3.830 3.122 3.032 3.307 . 0 0 "[ . 1 . 2]" 1
400 1 26 GLU H 1 26 GLU HB3 . . 3.830 3.876 3.739 4.050 0.220 16 0 "[ . 1 . 2]" 1
401 1 26 GLU H 1 27 CYS H . . 3.140 2.842 2.686 3.003 . 0 0 "[ . 1 . 2]" 1
402 1 26 GLU H 1 27 CYS HA . . 5.500 5.381 5.293 5.456 . 0 0 "[ . 1 . 2]" 1
403 1 26 GLU H 1 28 GLY H . . 4.010 4.479 4.293 4.610 0.600 5 8 "[ -+ *** ** * 2]" 1
404 1 26 GLU H 1 42 HIS HE1 . . 5.500 5.719 5.525 5.841 0.341 14 0 "[ . 1 . 2]" 1
405 1 26 GLU HA 1 27 CYS H . . 3.550 3.231 3.007 3.447 . 0 0 "[ . 1 . 2]" 1
406 1 26 GLU HA 1 27 CYS HA . . 4.420 4.475 4.318 4.635 0.215 17 0 "[ . 1 . 2]" 1
407 1 26 GLU HA 1 42 HIS HE1 . . 5.500 4.969 4.825 5.147 . 0 0 "[ . 1 . 2]" 1
408 1 26 GLU HA 1 53 TRP HE1 . . 5.500 4.608 4.074 5.471 . 0 0 "[ . 1 . 2]" 1
409 1 26 GLU HA 1 53 TRP HZ2 . . 5.500 2.611 2.167 3.120 . 0 0 "[ . 1 . 2]" 1
410 1 26 GLU QB 1 27 CYS H . . 4.560 3.720 3.413 3.951 . 0 0 "[ . 1 . 2]" 1
411 1 26 GLU QB 1 42 HIS HD2 . . 6.380 5.785 5.428 6.253 . 0 0 "[ . 1 . 2]" 1
412 1 26 GLU QB 1 53 TRP HZ2 . . 6.380 2.146 1.738 2.730 . 0 0 "[ . 1 . 2]" 1
413 1 26 GLU HB2 1 27 CYS H . . 4.940 4.469 4.146 4.666 . 0 0 "[ . 1 . 2]" 1
414 1 26 GLU HB2 1 42 HIS HE1 . . 5.500 4.701 3.589 5.117 . 0 0 "[ . 1 . 2]" 1
415 1 26 GLU HB3 1 27 CYS H . . 4.940 3.983 3.581 4.265 . 0 0 "[ . 1 . 2]" 1
416 1 26 GLU HB3 1 42 HIS HE1 . . 5.500 3.027 2.251 3.440 . 0 0 "[ . 1 . 2]" 1
417 1 26 GLU QG 1 27 CYS H . . 7.260 4.638 4.486 4.929 . 0 0 "[ . 1 . 2]" 1
418 1 26 GLU QG 1 53 TRP HE1 . . 7.260 3.988 3.407 5.000 . 0 0 "[ . 1 . 2]" 1
419 1 26 GLU QG 1 53 TRP HZ2 . . 7.260 2.947 2.474 3.631 . 0 0 "[ . 1 . 2]" 1
420 1 27 CYS H 1 28 GLY H . . 3.110 2.126 1.975 2.273 . 0 0 "[ . 1 . 2]" 1
421 1 27 CYS H 1 29 GLY H . . 4.760 4.937 4.755 5.113 0.353 8 0 "[ . 1 . 2]" 1
422 1 27 CYS HA 1 27 CYS HB2 . . 2.930 2.723 2.616 3.015 0.085 16 0 "[ . 1 . 2]" 1
423 1 27 CYS HA 1 27 CYS QB . . 2.700 2.481 2.409 2.531 . 0 0 "[ . 1 . 2]" 1
424 1 27 CYS HA 1 27 CYS HB3 . . 2.930 2.906 2.533 2.989 0.059 18 0 "[ . 1 . 2]" 1
425 1 27 CYS HA 1 42 HIS HE1 . . 5.500 3.359 2.966 4.527 . 0 0 "[ . 1 . 2]" 1
426 1 27 CYS QB 1 28 GLY H . . 4.830 2.465 2.301 2.781 . 0 0 "[ . 1 . 2]" 1
427 1 27 CYS QB 1 42 HIS HE1 . . 4.540 2.218 1.911 3.696 . 0 0 "[ . 1 . 2]" 1
428 1 27 CYS HB2 1 28 GLY H . . 5.500 3.337 2.435 3.762 . 0 0 "[ . 1 . 2]" 1
429 1 27 CYS HB2 1 42 HIS HE1 . . 4.760 2.243 1.918 3.852 . 0 0 "[ . 1 . 2]" 1
430 1 27 CYS HB3 1 28 GLY H . . 5.500 2.622 2.337 3.265 . 0 0 "[ . 1 . 2]" 1
431 1 27 CYS HB3 1 42 HIS HE1 . . 4.760 3.832 3.615 4.757 . 0 0 "[ . 1 . 2]" 1
432 1 27 CYS SG 1 37 HIS NE2 . . 3.770 3.816 3.555 3.935 0.165 11 0 "[ . 1 . 2]" 1
433 1 27 CYS SG 1 42 HIS NE2 . . 3.870 3.806 3.460 3.961 0.091 11 0 "[ . 1 . 2]" 1
434 1 28 GLY QA 1 29 GLY H . . 3.200 2.663 2.571 2.788 . 0 0 "[ . 1 . 2]" 1
435 1 28 GLY QA 1 31 PHE QD . . 10.620 7.907 7.711 8.043 . 0 0 "[ . 1 . 2]" 1
436 1 29 GLY H 1 29 GLY HA2 . . 2.740 2.843 2.783 2.906 0.166 16 0 "[ . 1 . 2]" 1
437 1 29 GLY H 1 29 GLY QA . . 2.420 2.248 2.194 2.298 . 0 0 "[ . 1 . 2]" 1
438 1 29 GLY H 1 29 GLY HA3 . . 2.740 2.356 2.291 2.408 . 0 0 "[ . 1 . 2]" 1
439 1 29 GLY H 1 30 SER H . . 4.910 4.683 4.636 4.724 . 0 0 "[ . 1 . 2]" 1
440 1 29 GLY H 1 31 PHE QE . . 9.740 5.684 5.255 5.943 . 0 0 "[ . 1 . 2]" 1
441 1 29 GLY QA 1 30 SER H . . 2.800 2.130 2.063 2.221 . 0 0 "[ . 1 . 2]" 1
442 1 29 GLY QA 1 30 SER QB . . 5.280 3.829 3.647 4.143 . 0 0 "[ . 1 . 2]" 1
443 1 29 GLY QA 1 31 PHE QD . . 10.620 4.937 4.663 5.165 . 0 0 "[ . 1 . 2]" 1
444 1 29 GLY QA 1 31 PHE HZ . . 6.380 5.788 4.991 6.460 0.080 11 0 "[ . 1 . 2]" 1
445 1 29 GLY QA 1 37 HIS HE1 . . 6.380 5.506 4.942 6.197 . 0 0 "[ . 1 . 2]" 1
446 1 29 GLY HA2 1 30 SER H . . 3.140 2.194 2.105 2.340 . 0 0 "[ . 1 . 2]" 1
447 1 29 GLY HA2 1 30 SER HB2 . . 6.600 4.253 4.068 4.522 . 0 0 "[ . 1 . 2]" 1
448 1 29 GLY HA2 1 30 SER HB3 . . 6.600 4.981 4.268 5.630 . 0 0 "[ . 1 . 2]" 1
449 1 29 GLY HA2 1 31 PHE QE . . 9.740 6.013 5.610 6.446 . 0 0 "[ . 1 . 2]" 1
450 1 29 GLY HA3 1 30 SER H . . 3.140 2.899 2.765 3.081 . 0 0 "[ . 1 . 2]" 1
451 1 29 GLY HA3 1 30 SER HB2 . . 6.600 5.261 5.050 5.547 . 0 0 "[ . 1 . 2]" 1
452 1 29 GLY HA3 1 30 SER HB3 . . 6.600 5.832 5.270 6.359 . 0 0 "[ . 1 . 2]" 1
453 1 29 GLY HA3 1 31 PHE QE . . 9.740 4.736 4.252 5.287 . 0 0 "[ . 1 . 2]" 1
454 1 30 SER H 1 30 SER HB2 . . 3.360 2.817 2.398 3.316 . 0 0 "[ . 1 . 2]" 1
455 1 30 SER H 1 30 SER QB . . 2.870 2.517 2.364 2.590 . 0 0 "[ . 1 . 2]" 1
456 1 30 SER H 1 30 SER HB3 . . 3.360 3.132 2.502 3.810 0.450 16 0 "[ . 1 . 2]" 1
457 1 30 SER H 1 31 PHE QE . . 9.740 5.611 5.258 6.040 . 0 0 "[ . 1 . 2]" 1
458 1 30 SER HA 1 30 SER HB2 . . 2.990 2.710 2.351 3.030 0.040 5 0 "[ . 1 . 2]" 1
459 1 30 SER HA 1 30 SER HB3 . . 2.990 2.808 2.429 3.035 0.045 6 0 "[ . 1 . 2]" 1
460 1 30 SER HA 1 31 PHE H . . 2.400 2.143 2.066 2.221 . 0 0 "[ . 1 . 2]" 1
461 1 30 SER QB 1 31 PHE H . . 3.610 3.185 2.596 3.638 0.028 11 0 "[ . 1 . 2]" 1
462 1 30 SER QB 1 31 PHE HA . . 4.830 4.391 4.019 4.709 . 0 0 "[ . 1 . 2]" 1
463 1 30 SER HB2 1 31 PHE H . . 4.010 4.023 3.772 4.224 0.214 5 0 "[ . 1 . 2]" 1
464 1 30 SER HB3 1 31 PHE H . . 4.010 3.400 2.634 4.098 0.088 11 0 "[ . 1 . 2]" 1
465 1 31 PHE H 1 31 PHE HB2 . . 4.040 3.905 3.756 3.972 . 0 0 "[ . 1 . 2]" 1
466 1 31 PHE H 1 31 PHE QB . . 3.620 3.336 3.106 3.413 . 0 0 "[ . 1 . 2]" 1
467 1 31 PHE H 1 31 PHE HB3 . . 4.040 3.622 3.313 3.723 . 0 0 "[ . 1 . 2]" 1
468 1 31 PHE HA 1 31 PHE HB2 . . 2.680 2.532 2.481 2.625 . 0 0 "[ . 1 . 2]" 1
469 1 31 PHE HA 1 31 PHE HB3 . . 2.680 2.311 2.280 2.416 . 0 0 "[ . 1 . 2]" 1
470 1 31 PHE HA 1 33 SER H . . 4.570 4.315 3.931 4.522 . 0 0 "[ . 1 . 2]" 1
471 1 31 PHE QB 1 33 SER H . . 4.930 2.644 2.220 3.681 . 0 0 "[ . 1 . 2]" 1
472 1 31 PHE QB 1 34 LEU HA . . 4.860 5.190 4.869 5.546 0.686 5 3 "[ + - 1 .* 2]" 1
473 1 31 PHE QB 1 34 LEU QB . . 7.250 5.676 5.207 6.414 . 0 0 "[ . 1 . 2]" 1
474 1 31 PHE QB 1 34 LEU QD . . 8.960 5.488 5.087 5.925 . 0 0 "[ . 1 . 2]" 1
475 1 31 PHE QB 1 37 HIS HD2 . . 6.380 6.799 6.596 7.004 0.624 16 2 "[ . - 1 .+ 2]" 1
476 1 31 PHE HB2 1 33 SER H . . 5.500 2.670 2.231 3.760 . 0 0 "[ . 1 . 2]" 1
477 1 31 PHE HB2 1 34 LEU MD1 . . 10.700 6.870 5.943 8.251 . 0 0 "[ . 1 . 2]" 1
478 1 31 PHE HB2 1 34 LEU MD2 . . 10.700 7.142 6.101 7.996 . 0 0 "[ . 1 . 2]" 1
479 1 31 PHE HB3 1 33 SER H . . 5.500 4.375 3.974 5.245 . 0 0 "[ . 1 . 2]" 1
480 1 31 PHE HB3 1 34 LEU MD1 . . 10.700 7.131 5.991 8.671 . 0 0 "[ . 1 . 2]" 1
481 1 31 PHE HB3 1 34 LEU MD2 . . 10.700 7.422 6.288 8.307 . 0 0 "[ . 1 . 2]" 1
482 1 31 PHE QD 1 32 LYS QB . . 10.620 5.024 4.303 5.447 . 0 0 "[ . 1 . 2]" 1
483 1 31 PHE QD 1 32 LYS QE . . 11.500 6.443 3.911 8.112 . 0 0 "[ . 1 . 2]" 1
484 1 31 PHE QD 1 33 SER QB . . 11.500 4.849 3.847 5.244 . 0 0 "[ . 1 . 2]" 1
485 1 31 PHE QD 1 34 LEU QB . . 10.620 3.585 3.199 4.309 . 0 0 "[ . 1 . 2]" 1
486 1 31 PHE QD 1 34 LEU QD . . 13.370 4.077 3.899 4.350 . 0 0 "[ . 1 . 2]" 1
487 1 31 PHE QD 1 34 LEU HG . . 9.740 5.424 4.062 6.434 . 0 0 "[ . 1 . 2]" 1
488 1 31 PHE QD 1 37 HIS QB . . 10.620 3.462 3.008 3.768 . 0 0 "[ . 1 . 2]" 1
489 1 31 PHE QD 1 37 HIS HE1 . . 9.740 4.947 3.603 5.677 . 0 0 "[ . 1 . 2]" 1
490 1 31 PHE HZ 1 37 HIS HE1 . . 5.500 5.368 4.860 5.839 0.339 3 0 "[ . 1 . 2]" 1
491 1 32 LYS H 1 33 SER H . . 4.010 3.023 2.692 3.768 . 0 0 "[ . 1 . 2]" 1
492 1 32 LYS QB 1 33 SER H . . 5.330 3.229 2.493 3.941 . 0 0 "[ . 1 . 2]" 1
493 1 32 LYS QE 1 66 TYR QE . . 11.520 6.695 3.520 10.304 . 0 0 "[ . 1 . 2]" 1
494 1 33 SER HA 1 34 LEU H . . 2.400 2.132 2.011 2.298 . 0 0 "[ . 1 . 2]" 1
495 1 33 SER HA 1 34 LEU HA . . 4.480 4.508 4.436 4.584 0.104 5 0 "[ . 1 . 2]" 1
496 1 33 SER HA 1 34 LEU HB2 . . 4.570 4.568 4.125 4.818 0.248 12 0 "[ . 1 . 2]" 1
497 1 33 SER HA 1 34 LEU QB . . 4.390 4.077 3.917 4.229 . 0 0 "[ . 1 . 2]" 1
498 1 33 SER HA 1 34 LEU HB3 . . 4.570 4.621 4.348 5.077 0.507 9 1 "[ . +1 . 2]" 1
499 1 33 SER HA 1 62 VAL HA . . 2.900 2.437 2.045 2.825 . 0 0 "[ . 1 . 2]" 1
500 1 33 SER HA 1 62 VAL HB . . 5.500 5.148 4.856 5.583 0.083 17 0 "[ . 1 . 2]" 1
501 1 33 SER HA 1 62 VAL QG . . 9.120 2.905 2.302 3.509 . 0 0 "[ . 1 . 2]" 1
502 1 33 SER HA 1 63 ALA H . . 3.980 3.197 2.870 3.590 . 0 0 "[ . 1 . 2]" 1
503 1 33 SER QB 1 35 LYS H . . 6.790 3.773 3.068 4.674 . 0 0 "[ . 1 . 2]" 1
504 1 33 SER QB 1 62 VAL HA . . 7.260 3.670 2.625 4.386 . 0 0 "[ . 1 . 2]" 1
505 1 33 SER QB 1 62 VAL QG . . 10.860 2.787 2.058 3.362 . 0 0 "[ . 1 . 2]" 1
506 1 33 SER QB 1 66 TYR QD . . 11.540 5.325 4.307 6.258 . 0 0 "[ . 1 . 2]" 1
507 1 34 LEU H 1 34 LEU HB2 . . 3.520 2.604 2.184 3.134 . 0 0 "[ . 1 . 2]" 1
508 1 34 LEU H 1 34 LEU QB . . 3.280 2.278 2.102 2.445 . 0 0 "[ . 1 . 2]" 1
509 1 34 LEU H 1 34 LEU HB3 . . 3.520 2.588 2.362 2.971 . 0 0 "[ . 1 . 2]" 1
510 1 34 LEU H 1 35 LYS H . . 3.210 2.556 2.168 2.851 . 0 0 "[ . 1 . 2]" 1
511 1 34 LEU H 1 62 VAL HA . . 3.360 2.896 2.381 3.382 0.022 3 0 "[ . 1 . 2]" 1
512 1 34 LEU H 1 62 VAL QG . . 9.120 3.784 2.780 4.369 . 0 0 "[ . 1 . 2]" 1
513 1 34 LEU HA 1 37 HIS HB2 . . 4.110 4.086 3.598 4.547 0.437 5 0 "[ . 1 . 2]" 1
514 1 34 LEU HA 1 37 HIS QB . . 3.450 2.606 2.199 3.063 . 0 0 "[ . 1 . 2]" 1
515 1 34 LEU HA 1 37 HIS HB3 . . 4.110 2.638 2.218 3.113 . 0 0 "[ . 1 . 2]" 1
516 1 34 LEU HA 1 37 HIS HD2 . . 5.500 4.156 3.624 5.005 . 0 0 "[ . 1 . 2]" 1
517 1 34 LEU QB 1 35 LYS H . . 4.270 2.811 2.563 3.397 . 0 0 "[ . 1 . 2]" 1
518 1 34 LEU QB 1 37 HIS HD2 . . 6.380 5.195 4.721 6.059 . 0 0 "[ . 1 . 2]" 1
519 1 34 LEU QB 1 38 LEU QD . . 10.010 4.531 4.120 4.962 . 0 0 "[ . 1 . 2]" 1
520 1 34 LEU QB 1 59 TYR QE . . 10.640 4.931 3.600 6.123 . 0 0 "[ . 1 . 2]" 1
521 1 34 LEU QB 1 61 MET QB . . 8.140 2.232 1.675 2.748 . 0 0 "[ . 1 . 2]" 1
522 1 34 LEU QB 1 61 MET ME . . 8.440 4.583 3.136 5.208 . 0 0 "[ . 1 . 2]" 1
523 1 34 LEU QB 1 62 VAL QG . . 9.080 4.440 3.867 4.899 . 0 0 "[ . 1 . 2]" 1
524 1 34 LEU HB2 1 35 LYS H . . 4.600 4.023 3.564 4.392 . 0 0 "[ . 1 . 2]" 1
525 1 34 LEU HB2 1 61 MET HA . . 5.500 3.880 2.783 4.688 . 0 0 "[ . 1 . 2]" 1
526 1 34 LEU HB2 1 62 VAL MG1 . . 10.680 6.252 5.361 6.996 . 0 0 "[ . 1 . 2]" 1
527 1 34 LEU HB2 1 62 VAL MG2 . . 10.680 6.033 5.318 6.666 . 0 0 "[ . 1 . 2]" 1
528 1 34 LEU HB3 1 35 LYS H . . 4.600 2.873 2.610 3.537 . 0 0 "[ . 1 . 2]" 1
529 1 34 LEU HB3 1 61 MET HA . . 5.500 2.737 2.050 3.641 . 0 0 "[ . 1 . 2]" 1
530 1 34 LEU HB3 1 62 VAL MG1 . . 10.680 5.762 4.725 6.512 . 0 0 "[ . 1 . 2]" 1
531 1 34 LEU HB3 1 62 VAL MG2 . . 10.680 5.013 4.410 5.631 . 0 0 "[ . 1 . 2]" 1
532 1 34 LEU QD 1 35 LYS H . . 9.130 3.731 3.164 4.341 . 0 0 "[ . 1 . 2]" 1
533 1 34 LEU QD 1 37 HIS QB . . 9.090 2.999 2.122 4.191 . 0 0 "[ . 1 . 2]" 1
534 1 34 LEU QD 1 37 HIS HD2 . . 9.130 2.734 2.046 3.979 . 0 0 "[ . 1 . 2]" 1
535 1 34 LEU QD 1 38 LEU HG . . 9.130 2.770 2.097 3.664 . 0 0 "[ . 1 . 2]" 1
536 1 34 LEU QD 1 42 HIS HD2 . . 9.130 3.826 3.007 4.840 . 0 0 "[ . 1 . 2]" 1
537 1 34 LEU QD 1 59 TYR QD . . 13.410 4.621 3.361 5.763 . 0 0 "[ . 1 . 2]" 1
538 1 34 LEU QD 1 59 TYR QE . . 13.390 3.978 2.806 5.729 . 0 0 "[ . 1 . 2]" 1
539 1 34 LEU QD 1 61 MET ME . . 11.190 3.020 2.280 3.684 . 0 0 "[ . 1 . 2]" 1
540 1 34 LEU MD1 1 37 HIS HB2 . . 10.700 5.445 3.683 6.806 . 0 0 "[ . 1 . 2]" 1
541 1 34 LEU MD1 1 37 HIS HB3 . . 10.700 3.999 2.139 5.499 . 0 0 "[ . 1 . 2]" 1
542 1 34 LEU MD2 1 37 HIS HB2 . . 10.700 5.617 3.808 7.076 . 0 0 "[ . 1 . 2]" 1
543 1 34 LEU MD2 1 37 HIS HB3 . . 10.700 4.159 2.325 5.641 . 0 0 "[ . 1 . 2]" 1
544 1 34 LEU HG 1 38 LEU HG . . 5.500 4.285 2.745 5.894 0.394 9 0 "[ . 1 . 2]" 1
545 1 34 LEU O 1 38 LEU H . . 2.600 1.686 1.602 1.808 . 0 0 "[ . 1 . 2]" 1
546 1 35 LYS H 1 36 ARG H . . 5.500 3.204 2.854 3.609 . 0 0 "[ . 1 . 2]" 1
547 1 35 LYS HA 1 38 LEU H . . 4.690 4.122 3.818 4.664 . 0 0 "[ . 1 . 2]" 1
548 1 35 LYS HA 1 38 LEU QB . . 3.900 2.926 2.509 3.823 . 0 0 "[ . 1 . 2]" 1
549 1 35 LYS HA 1 38 LEU HG . . 5.500 4.359 3.646 5.362 . 0 0 "[ . 1 . 2]" 1
550 1 35 LYS QB 1 36 ARG H . . 5.460 2.703 1.938 3.495 . 0 0 "[ . 1 . 2]" 1
551 1 35 LYS QB 1 38 LEU H . . 5.950 5.278 5.010 5.510 . 0 0 "[ . 1 . 2]" 1
552 1 35 LYS QB 1 38 LEU QD . . 10.870 5.213 4.621 6.087 . 0 0 "[ . 1 . 2]" 1
553 1 35 LYS QD 1 38 LEU QD . . 10.870 5.907 4.580 7.084 . 0 0 "[ . 1 . 2]" 1
554 1 35 LYS QD 1 39 THR HB . . 7.260 5.544 3.779 7.172 . 0 0 "[ . 1 . 2]" 1
555 1 35 LYS QD 1 39 THR MG . . 9.300 5.619 4.149 7.261 . 0 0 "[ . 1 . 2]" 1
556 1 35 LYS QD 1 40 THR MG . . 9.300 8.546 7.467 9.631 0.331 4 0 "[ . 1 . 2]" 1
557 1 35 LYS QG 1 37 HIS H . . 7.260 5.574 4.469 6.692 . 0 0 "[ . 1 . 2]" 1
558 1 35 LYS O 1 39 THR H . . 2.600 2.270 1.886 2.891 0.291 11 0 "[ . 1 . 2]" 1
559 1 36 ARG HA 1 38 LEU H . . 5.070 4.598 4.486 4.813 . 0 0 "[ . 1 . 2]" 1
560 1 36 ARG HA 1 39 THR H . . 4.010 4.045 3.836 4.547 0.537 6 1 "[ .+ 1 . 2]" 1
561 1 36 ARG O 1 40 THR H . . 2.600 1.792 1.719 1.920 . 0 0 "[ . 1 . 2]" 1
562 1 37 HIS H 1 38 LEU H . . 3.020 3.017 2.762 3.249 0.229 9 0 "[ . 1 . 2]" 1
563 1 37 HIS HA 1 37 HIS HE1 . . 5.500 5.183 5.059 5.348 . 0 0 "[ . 1 . 2]" 1
564 1 37 HIS HA 1 38 LEU H . . 3.630 3.590 3.536 3.632 0.002 9 0 "[ . 1 . 2]" 1
565 1 37 HIS HA 1 40 THR H . . 4.760 3.774 3.670 3.912 . 0 0 "[ . 1 . 2]" 1
566 1 37 HIS HA 1 41 HIS H . . 4.570 3.674 3.509 4.029 . 0 0 "[ . 1 . 2]" 1
567 1 37 HIS HA 1 41 HIS HE1 . . 5.500 5.906 5.312 6.279 0.779 14 7 "[* *-. ** +. * 2]" 1
568 1 37 HIS QB 1 38 LEU H . . 3.700 2.532 2.377 2.622 . 0 0 "[ . 1 . 2]" 1
569 1 37 HIS QB 1 39 THR H . . 5.210 5.309 5.169 5.517 0.307 5 0 "[ . 1 . 2]" 1
570 1 37 HIS QB 1 42 HIS HD2 . . 6.380 4.641 4.300 4.874 . 0 0 "[ . 1 . 2]" 1
571 1 37 HIS HB2 1 38 LEU H . . 3.920 3.946 3.815 4.009 0.089 17 0 "[ . 1 . 2]" 1
572 1 37 HIS HB3 1 38 LEU H . . 3.920 2.563 2.401 2.658 . 0 0 "[ . 1 . 2]" 1
573 1 37 HIS HD2 1 38 LEU H . . 4.070 3.437 3.267 3.583 . 0 0 "[ . 1 . 2]" 1
574 1 37 HIS HD2 1 38 LEU HA . . 5.500 3.211 2.850 3.547 . 0 0 "[ . 1 . 2]" 1
575 1 37 HIS HD2 1 38 LEU QB . . 6.380 3.924 3.708 4.357 . 0 0 "[ . 1 . 2]" 1
576 1 37 HIS HD2 1 38 LEU QD . . 9.130 3.616 3.258 4.109 . 0 0 "[ . 1 . 2]" 1
577 1 37 HIS HD2 1 42 HIS HD2 . . 5.500 2.649 1.993 3.213 . 0 0 "[ . 1 . 2]" 1
578 1 37 HIS HE1 1 41 HIS HB2 . . 5.500 4.032 3.681 4.481 . 0 0 "[ . 1 . 2]" 1
579 1 37 HIS HE1 1 41 HIS HB3 . . 5.500 4.568 4.044 5.130 . 0 0 "[ . 1 . 2]" 1
580 1 37 HIS HE1 1 41 HIS HD2 . . 5.500 2.427 2.023 2.763 . 0 0 "[ . 1 . 2]" 1
581 1 37 HIS HE1 1 42 HIS HD2 . . 5.500 5.248 4.927 5.504 0.004 11 0 "[ . 1 . 2]" 1
582 1 37 HIS HE1 1 42 HIS HE1 . . 5.500 5.577 5.503 5.626 0.126 9 0 "[ . 1 . 2]" 1
583 1 37 HIS NE2 1 42 HIS NE2 . . 3.000 2.979 2.790 3.134 0.134 7 0 "[ . 1 . 2]" 1
584 1 37 HIS O 1 41 HIS H . . 2.600 1.771 1.664 2.008 . 0 0 "[ . 1 . 2]" 1
585 1 38 LEU H 1 38 LEU HB2 . . 3.580 2.181 2.052 2.449 . 0 0 "[ . 1 . 2]" 1
586 1 38 LEU H 1 38 LEU HB3 . . 3.580 2.763 2.591 2.980 . 0 0 "[ . 1 . 2]" 1
587 1 38 LEU H 1 38 LEU HG . . 5.500 4.471 4.404 4.599 . 0 0 "[ . 1 . 2]" 1
588 1 38 LEU H 1 39 THR H . . 3.050 3.155 3.089 3.299 0.249 5 0 "[ . 1 . 2]" 1
589 1 38 LEU HA 1 41 HIS H . . 5.250 4.002 3.832 4.103 . 0 0 "[ . 1 . 2]" 1
590 1 38 LEU HA 1 41 HIS QB . . 4.120 4.236 4.018 4.452 0.332 16 0 "[ . 1 . 2]" 1
591 1 38 LEU HA 1 42 HIS H . . 4.230 3.523 3.196 3.730 . 0 0 "[ . 1 . 2]" 1
592 1 38 LEU HA 1 42 HIS HB2 . . 5.500 2.963 2.469 3.141 . 0 0 "[ . 1 . 2]" 1
593 1 38 LEU HA 1 42 HIS QB . . 5.100 2.929 2.451 3.100 . 0 0 "[ . 1 . 2]" 1
594 1 38 LEU HA 1 42 HIS HB3 . . 5.500 4.618 4.119 4.785 . 0 0 "[ . 1 . 2]" 1
595 1 38 LEU HA 1 42 HIS HD2 . . 5.500 2.033 1.975 2.117 . 0 0 "[ . 1 . 2]" 1
596 1 38 LEU HA 1 44 MET ME . . 7.560 5.901 5.697 6.038 . 0 0 "[ . 1 . 2]" 1
597 1 38 LEU QB 1 39 THR H . . 3.370 1.995 1.891 2.158 . 0 0 "[ . 1 . 2]" 1
598 1 38 LEU QB 1 42 HIS HD2 . . 6.380 4.054 3.886 4.191 . 0 0 "[ . 1 . 2]" 1
599 1 38 LEU HB2 1 39 THR H . . 3.790 3.461 3.242 3.671 . 0 0 "[ . 1 . 2]" 1
600 1 38 LEU HB3 1 39 THR H . . 3.790 2.008 1.901 2.177 . 0 0 "[ . 1 . 2]" 1
601 1 38 LEU QD 1 39 THR H . . 9.130 2.935 2.514 3.213 . 0 0 "[ . 1 . 2]" 1
602 1 38 LEU QD 1 42 HIS H . . 9.130 3.694 3.560 3.892 . 0 0 "[ . 1 . 2]" 1
603 1 38 LEU QD 1 42 HIS QB . . 9.090 1.924 1.744 2.321 . 0 0 "[ . 1 . 2]" 1
604 1 38 LEU QD 1 42 HIS HD2 . . 8.910 2.619 2.291 2.866 . 0 0 "[ . 1 . 2]" 1
605 1 38 LEU QD 1 43 SER QB . . 9.130 4.593 4.450 4.738 . 0 0 "[ . 1 . 2]" 1
606 1 38 LEU QD 1 44 MET HB2 . . 9.130 2.989 2.888 3.181 . 0 0 "[ . 1 . 2]" 1
607 1 38 LEU QD 1 44 MET HB3 . . 9.130 4.040 3.858 4.298 . 0 0 "[ . 1 . 2]" 1
608 1 38 LEU QD 1 44 MET ME . . 11.190 3.076 2.865 3.272 . 0 0 "[ . 1 . 2]" 1
609 1 38 LEU QD 1 44 MET QG . . 9.090 4.379 4.285 4.579 . 0 0 "[ . 1 . 2]" 1
610 1 38 LEU QD 1 46 PRO HA . . 9.130 2.750 2.390 3.453 . 0 0 "[ . 1 . 2]" 1
611 1 38 LEU QD 1 49 TYR QB . . 9.090 1.846 1.534 2.213 . 0 0 "[ . 1 . 2]" 1
612 1 38 LEU QD 1 59 TYR QE . . 13.390 6.917 4.948 8.933 . 0 0 "[ . 1 . 2]" 1
613 1 38 LEU QD 1 61 MET ME . . 11.190 3.926 2.463 4.656 . 0 0 "[ . 1 . 2]" 1
614 1 38 LEU MD1 1 42 HIS HB2 . . 10.700 3.094 2.062 3.980 . 0 0 "[ . 1 . 2]" 1
615 1 38 LEU MD1 1 42 HIS HB3 . . 10.700 4.345 3.194 5.270 . 0 0 "[ . 1 . 2]" 1
616 1 38 LEU MD1 1 44 MET HG2 . . 10.700 5.459 5.194 5.676 . 0 0 "[ . 1 . 2]" 1
617 1 38 LEU MD1 1 44 MET HG3 . . 10.700 4.900 4.646 5.394 . 0 0 "[ . 1 . 2]" 1
618 1 38 LEU MD1 1 49 TYR HB2 . . 10.700 1.916 1.552 2.274 . 0 0 "[ . 1 . 2]" 1
619 1 38 LEU MD1 1 49 TYR HB3 . . 10.700 2.791 2.453 3.276 . 0 0 "[ . 1 . 2]" 1
620 1 38 LEU MD2 1 42 HIS HB2 . . 10.700 2.000 1.761 2.664 . 0 0 "[ . 1 . 2]" 1
621 1 38 LEU MD2 1 42 HIS HB3 . . 10.700 3.229 2.955 3.789 . 0 0 "[ . 1 . 2]" 1
622 1 38 LEU MD2 1 44 MET HG2 . . 10.700 6.963 5.610 7.714 . 0 0 "[ . 1 . 2]" 1
623 1 38 LEU MD2 1 44 MET HG3 . . 10.700 6.230 5.316 7.095 . 0 0 "[ . 1 . 2]" 1
624 1 38 LEU MD2 1 49 TYR HB2 . . 10.700 2.970 2.512 3.919 . 0 0 "[ . 1 . 2]" 1
625 1 38 LEU MD2 1 49 TYR HB3 . . 10.700 3.582 2.985 4.157 . 0 0 "[ . 1 . 2]" 1
626 1 38 LEU HG 1 39 THR H . . 5.440 4.477 4.401 4.662 . 0 0 "[ . 1 . 2]" 1
627 1 38 LEU HG 1 44 MET HB2 . . 5.500 5.745 5.434 5.942 0.442 20 0 "[ . 1 . 2]" 1
628 1 38 LEU HG 1 44 MET ME . . 7.560 5.466 5.033 5.694 . 0 0 "[ . 1 . 2]" 1
629 1 38 LEU HG 1 46 PRO HA . . 5.500 3.198 2.412 3.924 . 0 0 "[ . 1 . 2]" 1
630 1 38 LEU HG 1 46 PRO QG . . 6.380 5.848 5.265 6.619 0.239 7 0 "[ . 1 . 2]" 1
631 1 38 LEU HG 1 49 TYR H . . 5.500 5.336 4.821 5.700 0.200 14 0 "[ . 1 . 2]" 1
632 1 38 LEU HG 1 49 TYR HA . . 5.500 5.629 5.277 5.813 0.313 17 0 "[ . 1 . 2]" 1
633 1 38 LEU HG 1 49 TYR HB2 . . 5.500 3.467 3.134 3.740 . 0 0 "[ . 1 . 2]" 1
634 1 38 LEU HG 1 49 TYR HB3 . . 5.500 3.372 3.132 3.606 . 0 0 "[ . 1 . 2]" 1
635 1 38 LEU HG 1 59 TYR QD . . 9.780 8.117 7.370 8.851 . 0 0 "[ . 1 . 2]" 1
636 1 38 LEU HG 1 59 TYR QE . . 9.760 8.056 5.678 10.319 0.559 12 1 "[ . 1 + . 2]" 1
637 1 38 LEU HG 1 61 MET ME . . 7.560 4.017 1.987 5.135 . 0 0 "[ . 1 . 2]" 1
638 1 39 THR H 1 39 THR HB . . 3.020 2.706 2.519 2.889 . 0 0 "[ . 1 . 2]" 1
639 1 39 THR H 1 40 THR H . . 3.380 2.890 2.810 3.012 . 0 0 "[ . 1 . 2]" 1
640 1 39 THR H 1 40 THR MG . . 7.560 6.119 6.077 6.171 . 0 0 "[ . 1 . 2]" 1
641 1 39 THR H 1 41 HIS H . . 5.500 4.759 4.530 4.900 . 0 0 "[ . 1 . 2]" 1
642 1 39 THR HA 1 41 HIS H . . 5.500 4.938 4.552 5.134 . 0 0 "[ . 1 . 2]" 1
643 1 39 THR HA 1 43 SER H . . 3.760 3.475 3.304 3.759 . 0 0 "[ . 1 . 2]" 1
644 1 39 THR HA 1 44 MET H . . 3.050 3.252 3.046 3.590 0.540 20 1 "[ . 1 . +]" 1
645 1 39 THR HB 1 40 THR H . . 3.140 2.953 2.814 3.107 . 0 0 "[ . 1 . 2]" 1
646 1 39 THR HB 1 40 THR MG . . 7.560 5.695 5.556 5.880 . 0 0 "[ . 1 . 2]" 1
647 1 39 THR HB 1 44 MET H . . 5.500 5.813 5.610 6.112 0.612 20 2 "[ . 1 . - +]" 1
648 1 39 THR MG 1 40 THR H . . 6.260 3.869 3.676 3.984 . 0 0 "[ . 1 . 2]" 1
649 1 39 THR MG 1 40 THR HA . . 7.560 4.191 3.927 4.345 . 0 0 "[ . 1 . 2]" 1
650 1 40 THR H 1 40 THR HB . . 3.300 2.603 2.463 2.734 . 0 0 "[ . 1 . 2]" 1
651 1 40 THR H 1 41 HIS H . . 3.050 2.925 2.772 3.069 0.019 11 0 "[ . 1 . 2]" 1
652 1 40 THR H 1 42 HIS H . . 5.440 5.427 5.143 5.697 0.257 15 0 "[ . 1 . 2]" 1
653 1 40 THR H 1 44 MET ME . . 7.560 7.934 7.754 8.247 0.687 5 1 "[ + 1 . 2]" 1
654 1 40 THR HB 1 41 HIS H . . 4.010 2.439 2.306 2.680 . 0 0 "[ . 1 . 2]" 1
655 1 40 THR MG 1 41 HIS H . . 7.560 3.318 3.102 3.705 . 0 0 "[ . 1 . 2]" 1
656 1 40 THR MG 1 41 HIS HA . . 7.560 3.500 3.325 3.889 . 0 0 "[ . 1 . 2]" 1
657 1 40 THR MG 1 41 HIS HD2 . . 7.560 5.017 4.485 5.362 . 0 0 "[ . 1 . 2]" 1
658 1 40 THR MG 1 41 HIS HE1 . . 7.560 3.044 2.740 3.213 . 0 0 "[ . 1 . 2]" 1
659 1 41 HIS H 1 42 HIS H . . 3.240 2.977 2.727 3.077 . 0 0 "[ . 1 . 2]" 1
660 1 41 HIS H 1 43 SER H . . 5.500 2.990 2.752 3.181 . 0 0 "[ . 1 . 2]" 1
661 1 41 HIS QB 1 42 HIS H . . 5.140 2.127 1.881 2.193 . 0 0 "[ . 1 . 2]" 1
662 1 41 HIS QB 1 42 HIS QB . . 7.250 4.246 4.128 4.304 . 0 0 "[ . 1 . 2]" 1
663 1 41 HIS QB 1 42 HIS HE1 . . 6.380 4.663 4.568 4.942 . 0 0 "[ . 1 . 2]" 1
664 1 41 HIS HB2 1 42 HIS HD2 . . 5.500 2.996 2.554 3.181 . 0 0 "[ . 1 . 2]" 1
665 1 41 HIS HB3 1 42 HIS HD2 . . 5.500 4.051 3.803 4.327 . 0 0 "[ . 1 . 2]" 1
666 1 41 HIS HD2 1 42 HIS HE1 . . 5.500 5.825 5.585 6.148 0.648 14 3 "[ - . 1 +. *]" 1
667 1 42 HIS H 1 42 HIS HB2 . . 3.950 2.848 2.750 2.889 . 0 0 "[ . 1 . 2]" 1
668 1 42 HIS H 1 42 HIS QB . . 3.760 2.732 2.655 2.765 . 0 0 "[ . 1 . 2]" 1
669 1 42 HIS H 1 42 HIS HB3 . . 3.950 3.514 3.461 3.563 . 0 0 "[ . 1 . 2]" 1
670 1 42 HIS H 1 42 HIS HD2 . . 4.970 2.223 1.989 2.364 . 0 0 "[ . 1 . 2]" 1
671 1 42 HIS H 1 43 SER H . . 3.360 2.844 2.746 2.968 . 0 0 "[ . 1 . 2]" 1
672 1 42 HIS H 1 44 MET ME . . 7.560 5.933 5.714 6.235 . 0 0 "[ . 1 . 2]" 1
673 1 42 HIS QB 1 44 MET ME . . 8.440 3.313 3.112 3.466 . 0 0 "[ . 1 . 2]" 1
674 1 42 HIS QB 1 44 MET QG . . 7.250 5.175 4.859 5.634 . 0 0 "[ . 1 . 2]" 1
675 1 43 SER H 1 43 SER HA . . 2.400 2.322 2.283 2.368 . 0 0 "[ . 1 . 2]" 1
676 1 43 SER H 1 43 SER QB . . 3.610 3.435 3.014 3.530 . 0 0 "[ . 1 . 2]" 1
677 1 43 SER H 1 44 MET H . . 4.450 4.642 4.555 4.712 0.262 1 0 "[ . 1 . 2]" 1
678 1 43 SER H 1 44 MET ME . . 7.560 5.105 4.848 5.462 . 0 0 "[ . 1 . 2]" 1
679 1 43 SER HA 1 43 SER QB . . 2.400 2.269 2.042 2.331 . 0 0 "[ . 1 . 2]" 1
680 1 43 SER HA 1 44 MET H . . 2.620 2.711 2.646 2.879 0.259 17 0 "[ . 1 . 2]" 1
681 1 43 SER QB 1 44 MET H . . 3.640 1.961 1.848 2.070 . 0 0 "[ . 1 . 2]" 1
682 1 44 MET H 1 44 MET HG2 . . 5.500 3.926 3.555 4.609 . 0 0 "[ . 1 . 2]" 1
683 1 44 MET H 1 44 MET HG3 . . 5.500 3.087 2.893 3.193 . 0 0 "[ . 1 . 2]" 1
684 1 44 MET H 1 45 THR MG . . 7.560 5.330 5.169 5.628 . 0 0 "[ . 1 . 2]" 1
685 1 44 MET HA 1 44 MET HB3 . . 2.400 2.380 2.320 2.500 0.100 9 0 "[ . 1 . 2]" 1
686 1 44 MET HA 1 45 THR H . . 2.400 2.344 2.189 2.480 0.080 17 0 "[ . 1 . 2]" 1
687 1 44 MET HA 1 45 THR MG . . 7.560 3.761 3.561 4.190 . 0 0 "[ . 1 . 2]" 1
688 1 44 MET HA 1 48 GLU QB . . 5.360 4.483 4.156 4.843 . 0 0 "[ . 1 . 2]" 1
689 1 44 MET HB2 1 45 THR H . . 3.640 3.466 3.214 3.665 0.025 14 0 "[ . 1 . 2]" 1
690 1 44 MET HB2 1 45 THR MG . . 7.560 5.396 5.142 5.701 . 0 0 "[ . 1 . 2]" 1
691 1 44 MET HB2 1 48 GLU QB . . 6.380 3.766 3.215 4.141 . 0 0 "[ . 1 . 2]" 1
692 1 44 MET HB2 1 49 TYR H . . 5.500 4.373 4.054 4.628 . 0 0 "[ . 1 . 2]" 1
693 1 44 MET HB3 1 45 THR H . . 2.680 2.229 1.988 2.450 . 0 0 "[ . 1 . 2]" 1
694 1 44 MET HB3 1 45 THR MG . . 7.560 4.369 4.049 4.806 . 0 0 "[ . 1 . 2]" 1
695 1 44 MET HB3 1 48 GLU QB . . 6.380 2.648 2.303 3.006 . 0 0 "[ . 1 . 2]" 1
696 1 44 MET ME 1 45 THR H . . 7.560 4.914 4.673 5.123 . 0 0 "[ . 1 . 2]" 1
697 1 44 MET ME 1 49 TYR HA . . 7.560 3.247 2.853 3.500 . 0 0 "[ . 1 . 2]" 1
698 1 44 MET ME 1 51 GLU HA . . 7.560 8.173 7.768 8.428 0.868 13 15 "[* **. *-*1* +*******]" 1
699 1 44 MET ME 1 52 LYS H . . 7.560 5.290 4.934 5.506 . 0 0 "[ . 1 . 2]" 1
700 1 44 MET ME 1 52 LYS QB . . 8.440 3.710 3.373 4.320 . 0 0 "[ . 1 . 2]" 1
701 1 44 MET ME 1 52 LYS HD2 . . 7.560 5.724 2.453 6.316 . 0 0 "[ . 1 . 2]" 1
702 1 44 MET ME 1 52 LYS HD3 . . 7.560 4.705 3.026 6.289 . 0 0 "[ . 1 . 2]" 1
703 1 44 MET ME 1 52 LYS QG . . 8.440 3.858 3.485 4.270 . 0 0 "[ . 1 . 2]" 1
704 1 44 MET ME 1 53 TRP HD1 . . 7.560 5.821 5.463 6.165 . 0 0 "[ . 1 . 2]" 1
705 1 44 MET ME 1 53 TRP HE1 . . 7.560 6.019 5.629 6.472 . 0 0 "[ . 1 . 2]" 1
706 1 44 MET QG 1 45 THR H . . 5.110 3.841 3.758 3.897 . 0 0 "[ . 1 . 2]" 1
707 1 44 MET QG 1 45 THR MG . . 8.440 5.241 4.927 5.686 . 0 0 "[ . 1 . 2]" 1
708 1 44 MET QG 1 49 TYR H . . 6.380 5.774 5.201 6.187 . 0 0 "[ . 1 . 2]" 1
709 1 44 MET HG2 1 45 THR H . . 5.500 4.109 3.973 4.394 . 0 0 "[ . 1 . 2]" 1
710 1 44 MET HG2 1 48 GLU QG . . 7.260 4.491 3.731 5.753 . 0 0 "[ . 1 . 2]" 1
711 1 44 MET HG3 1 45 THR H . . 5.500 4.680 4.239 4.863 . 0 0 "[ . 1 . 2]" 1
712 1 44 MET HG3 1 48 GLU QG . . 7.260 5.641 4.880 6.845 . 0 0 "[ . 1 . 2]" 1
713 1 45 THR H 1 45 THR HA . . 2.930 2.938 2.894 2.986 0.056 1 0 "[ . 1 . 2]" 1
714 1 45 THR H 1 45 THR HB . . 3.830 3.649 3.535 3.723 . 0 0 "[ . 1 . 2]" 1
715 1 45 THR H 1 46 PRO HD2 . . 5.500 4.757 4.672 4.868 . 0 0 "[ . 1 . 2]" 1
716 1 45 THR H 1 46 PRO HD3 . . 5.500 5.261 5.119 5.364 . 0 0 "[ . 1 . 2]" 1
717 1 45 THR H 1 48 GLU H . . 4.630 4.321 3.946 4.674 0.044 3 0 "[ . 1 . 2]" 1
718 1 45 THR H 1 48 GLU HB2 . . 3.670 3.423 2.835 3.950 0.280 15 0 "[ . 1 . 2]" 1
719 1 45 THR H 1 48 GLU HB3 . . 3.670 3.331 2.853 3.800 0.130 3 0 "[ . 1 . 2]" 1
720 1 45 THR H 1 48 GLU QG . . 7.260 4.419 3.871 5.258 . 0 0 "[ . 1 . 2]" 1
721 1 45 THR HA 1 46 PRO QG . . 5.710 3.988 3.891 4.144 . 0 0 "[ . 1 . 2]" 1
722 1 45 THR HB 1 47 GLU QG . . 6.380 5.580 5.075 6.046 . 0 0 "[ . 1 . 2]" 1
723 1 45 THR MG 1 46 PRO QB . . 8.440 5.542 5.088 5.719 . 0 0 "[ . 1 . 2]" 1
724 1 45 THR MG 1 46 PRO HD2 . . 7.560 2.961 2.243 3.288 . 0 0 "[ . 1 . 2]" 1
725 1 45 THR MG 1 46 PRO HD3 . . 7.560 4.002 3.397 4.310 . 0 0 "[ . 1 . 2]" 1
726 1 45 THR MG 1 46 PRO QG . . 8.440 4.427 3.851 4.659 . 0 0 "[ . 1 . 2]" 1
727 1 45 THR MG 1 47 GLU H . . 6.720 4.679 4.439 4.952 . 0 0 "[ . 1 . 2]" 1
728 1 45 THR MG 1 47 GLU QB . . 8.440 4.684 4.413 5.063 . 0 0 "[ . 1 . 2]" 1
729 1 45 THR MG 1 48 GLU H . . 6.290 4.311 4.085 4.581 . 0 0 "[ . 1 . 2]" 1
730 1 46 PRO HA 1 48 GLU H . . 5.500 4.610 4.462 4.774 . 0 0 "[ . 1 . 2]" 1
731 1 46 PRO HA 1 49 TYR HB2 . . 4.200 3.584 3.237 4.310 0.110 7 0 "[ . 1 . 2]" 1
732 1 46 PRO HA 1 49 TYR QB . . 3.890 2.575 2.296 3.125 . 0 0 "[ . 1 . 2]" 1
733 1 46 PRO HA 1 49 TYR HB3 . . 4.200 2.665 2.331 3.356 . 0 0 "[ . 1 . 2]" 1
734 1 46 PRO HA 1 50 ARG H . . 4.790 4.334 4.031 4.899 0.109 5 0 "[ . 1 . 2]" 1
735 1 46 PRO HA 1 61 MET ME . . 7.530 3.487 2.071 4.931 . 0 0 "[ . 1 . 2]" 1
736 1 46 PRO QB 1 47 GLU H . . 3.710 2.898 2.571 3.066 . 0 0 "[ . 1 . 2]" 1
737 1 46 PRO QB 1 61 MET ME . . 7.330 3.359 2.546 4.408 . 0 0 "[ . 1 . 2]" 1
738 1 46 PRO QB 1 77 MET HA . . 6.380 6.304 5.446 6.832 0.452 2 0 "[ . 1 . 2]" 1
739 1 46 PRO HB2 1 47 GLU H . . 3.890 2.969 2.605 3.173 . 0 0 "[ . 1 . 2]" 1
740 1 46 PRO HB2 1 61 MET ME . . 7.560 3.618 2.647 4.699 . 0 0 "[ . 1 . 2]" 1
741 1 46 PRO HB3 1 47 GLU H . . 3.890 4.062 3.957 4.140 0.250 20 0 "[ . 1 . 2]" 1
742 1 46 PRO HB3 1 61 MET ME . . 7.560 4.041 3.089 5.332 . 0 0 "[ . 1 . 2]" 1
743 1 46 PRO QD 1 47 GLU H . . 5.590 3.128 2.659 3.534 . 0 0 "[ . 1 . 2]" 1
744 1 46 PRO QG 1 61 MET QG . . 5.860 4.120 3.296 4.839 . 0 0 "[ . 1 . 2]" 1
745 1 46 PRO HG2 1 47 GLU H . . 5.500 2.238 2.083 2.382 . 0 0 "[ . 1 . 2]" 1
746 1 46 PRO HG2 1 61 MET QB . . 7.260 5.103 4.310 6.834 . 0 0 "[ . 1 . 2]" 1
747 1 46 PRO HG2 1 61 MET ME . . 7.560 5.520 4.492 6.600 . 0 0 "[ . 1 . 2]" 1
748 1 46 PRO HG2 1 61 MET HG2 . . 7.250 5.323 4.856 7.146 . 0 0 "[ . 1 . 2]" 1
749 1 46 PRO HG2 1 61 MET HG3 . . 7.250 5.888 3.871 7.026 . 0 0 "[ . 1 . 2]" 1
750 1 46 PRO HG3 1 47 GLU H . . 5.500 3.849 3.680 3.953 . 0 0 "[ . 1 . 2]" 1
751 1 46 PRO HG3 1 61 MET QB . . 7.260 4.327 3.689 6.430 . 0 0 "[ . 1 . 2]" 1
752 1 46 PRO HG3 1 61 MET ME . . 7.560 5.777 4.957 6.904 . 0 0 "[ . 1 . 2]" 1
753 1 46 PRO HG3 1 61 MET HG2 . . 7.250 4.942 4.174 6.593 . 0 0 "[ . 1 . 2]" 1
754 1 46 PRO HG3 1 61 MET HG3 . . 7.250 5.484 3.553 6.881 . 0 0 "[ . 1 . 2]" 1
755 1 47 GLU H 1 47 GLU HB2 . . 3.210 2.215 2.072 2.379 . 0 0 "[ . 1 . 2]" 1
756 1 47 GLU H 1 47 GLU QB . . 2.980 2.191 2.044 2.349 . 0 0 "[ . 1 . 2]" 1
757 1 47 GLU H 1 47 GLU HB3 . . 3.210 3.477 3.113 3.635 0.425 19 0 "[ . 1 . 2]" 1
758 1 47 GLU H 1 47 GLU HG2 . . 4.790 4.076 3.456 4.587 . 0 0 "[ . 1 . 2]" 1
759 1 47 GLU H 1 47 GLU QG . . 4.610 3.328 2.646 3.817 . 0 0 "[ . 1 . 2]" 1
760 1 47 GLU H 1 47 GLU HG3 . . 4.790 3.589 2.690 4.311 . 0 0 "[ . 1 . 2]" 1
761 1 47 GLU H 1 48 GLU H . . 3.300 2.955 2.791 3.135 . 0 0 "[ . 1 . 2]" 1
762 1 47 GLU H 1 48 GLU HA . . 5.500 5.591 5.488 5.671 0.171 5 0 "[ . 1 . 2]" 1
763 1 47 GLU H 1 48 GLU QG . . 7.260 6.581 6.207 6.814 . 0 0 "[ . 1 . 2]" 1
764 1 47 GLU H 1 49 TYR H . . 4.290 4.345 4.229 4.696 0.406 7 0 "[ . 1 . 2]" 1
765 1 47 GLU HA 1 49 TYR H . . 4.540 4.488 4.296 4.669 0.129 10 0 "[ . 1 . 2]" 1
766 1 47 GLU HA 1 50 ARG H . . 4.290 3.322 3.122 3.512 . 0 0 "[ . 1 . 2]" 1
767 1 47 GLU HA 1 50 ARG HB2 . . 4.260 4.624 4.146 4.824 0.564 18 3 "[- .* 1 . + 2]" 1
768 1 47 GLU HA 1 50 ARG HB3 . . 5.500 3.096 2.571 3.339 . 0 0 "[ . 1 . 2]" 1
769 1 47 GLU QB 1 48 GLU H . . 3.740 2.871 2.693 3.080 . 0 0 "[ . 1 . 2]" 1
770 1 47 GLU QB 1 49 TYR H . . 4.820 4.841 4.735 5.051 0.231 7 0 "[ . 1 . 2]" 1
771 1 47 GLU HB2 1 48 GLU H . . 3.980 3.209 2.915 3.491 . 0 0 "[ . 1 . 2]" 1
772 1 47 GLU HB2 1 48 GLU QG . . 7.260 6.387 5.540 6.748 . 0 0 "[ . 1 . 2]" 1
773 1 47 GLU HB2 1 49 TYR H . . 5.040 5.446 5.257 5.651 0.611 7 4 "[ . + 1 **- 2]" 1
774 1 47 GLU HB3 1 48 GLU H . . 3.980 3.285 2.886 3.669 . 0 0 "[ . 1 . 2]" 1
775 1 47 GLU HB3 1 48 GLU QG . . 7.260 5.762 4.853 6.393 . 0 0 "[ . 1 . 2]" 1
776 1 47 GLU HB3 1 49 TYR H . . 5.040 5.429 5.205 5.688 0.648 7 4 "[ . + 1 *. -*]" 1
777 1 47 GLU HG2 1 48 GLU H . . 5.500 5.203 4.776 5.601 0.101 7 0 "[ . 1 . 2]" 1
778 1 47 GLU HG3 1 48 GLU H . . 5.500 5.140 4.812 5.374 . 0 0 "[ . 1 . 2]" 1
779 1 47 GLU O 1 51 GLU H . . 2.600 2.660 2.410 2.976 0.376 17 0 "[ . 1 . 2]" 1
780 1 48 GLU H 1 48 GLU HA . . 2.650 2.903 2.847 2.943 0.293 6 0 "[ . 1 . 2]" 1
781 1 48 GLU H 1 48 GLU HB2 . . 4.110 2.271 2.091 2.513 . 0 0 "[ . 1 . 2]" 1
782 1 48 GLU H 1 48 GLU QB . . 3.560 2.190 2.064 2.317 . 0 0 "[ . 1 . 2]" 1
783 1 48 GLU H 1 48 GLU HB3 . . 4.110 2.983 2.703 3.263 . 0 0 "[ . 1 . 2]" 1
784 1 48 GLU H 1 48 GLU QG . . 4.500 3.989 3.634 4.166 . 0 0 "[ . 1 . 2]" 1
785 1 48 GLU H 1 49 TYR H . . 2.800 2.679 2.626 2.741 . 0 0 "[ . 1 . 2]" 1
786 1 48 GLU H 1 50 ARG H . . 4.140 4.250 4.030 4.370 0.230 11 0 "[ . 1 . 2]" 1
787 1 48 GLU HA 1 48 GLU QB . . 2.720 2.492 2.428 2.563 . 0 0 "[ . 1 . 2]" 1
788 1 48 GLU HA 1 50 ARG H . . 4.040 4.480 4.306 4.659 0.619 7 5 "[ -. +* 1* . * 2]" 1
789 1 48 GLU HA 1 51 GLU H . . 3.760 3.630 3.499 3.778 0.018 14 0 "[ . 1 . 2]" 1
790 1 48 GLU HA 1 51 GLU QB . . 4.680 3.162 2.933 3.460 . 0 0 "[ . 1 . 2]" 1
791 1 48 GLU HA 1 51 GLU QG . . 7.260 4.633 2.422 5.376 . 0 0 "[ . 1 . 2]" 1
792 1 48 GLU QB 1 49 TYR H . . 4.380 2.611 2.423 2.736 . 0 0 "[ . 1 . 2]" 1
793 1 48 GLU HB2 1 49 TYR H . . 4.850 3.536 3.198 3.850 . 0 0 "[ . 1 . 2]" 1
794 1 48 GLU HB3 1 49 TYR H . . 4.850 2.698 2.466 2.887 . 0 0 "[ . 1 . 2]" 1
795 1 48 GLU QG 1 49 TYR H . . 7.260 4.199 3.813 4.535 . 0 0 "[ . 1 . 2]" 1
796 1 48 GLU O 1 52 LYS H . . 2.600 2.690 2.484 2.940 0.340 4 0 "[ . 1 . 2]" 1
797 1 49 TYR H 1 49 TYR HB2 . . 3.210 2.592 2.355 2.887 . 0 0 "[ . 1 . 2]" 1
798 1 49 TYR H 1 49 TYR HB3 . . 3.210 2.464 2.073 2.748 . 0 0 "[ . 1 . 2]" 1
799 1 49 TYR H 1 50 ARG H . . 2.900 2.915 2.821 3.024 0.124 11 0 "[ . 1 . 2]" 1
800 1 49 TYR H 1 51 GLU H . . 4.510 4.344 4.235 4.401 . 0 0 "[ . 1 . 2]" 1
801 1 49 TYR H 1 55 LEU QD . . 9.130 6.908 6.011 8.175 . 0 0 "[ . 1 . 2]" 1
802 1 49 TYR HA 1 49 TYR HB2 . . 3.080 2.414 2.202 2.558 . 0 0 "[ . 1 . 2]" 1
803 1 49 TYR HA 1 49 TYR HB3 . . 3.080 3.018 2.940 3.053 . 0 0 "[ . 1 . 2]" 1
804 1 49 TYR HA 1 50 ARG H . . 3.550 3.628 3.591 3.677 0.127 4 0 "[ . 1 . 2]" 1
805 1 49 TYR HA 1 51 GLU H . . 4.200 4.175 4.042 4.321 0.121 11 0 "[ . 1 . 2]" 1
806 1 49 TYR HA 1 52 LYS H . . 3.860 3.306 3.126 3.730 . 0 0 "[ . 1 . 2]" 1
807 1 49 TYR HA 1 52 LYS HB2 . . 4.970 3.721 3.353 5.649 0.679 20 1 "[ . 1 . +]" 1
808 1 49 TYR HA 1 52 LYS QB . . 4.270 2.890 2.599 4.189 . 0 0 "[ . 1 . 2]" 1
809 1 49 TYR HA 1 52 LYS HB3 . . 4.970 3.017 2.707 4.318 . 0 0 "[ . 1 . 2]" 1
810 1 49 TYR HA 1 53 TRP HD1 . . 5.500 4.590 3.943 4.962 . 0 0 "[ . 1 . 2]" 1
811 1 49 TYR QB 1 50 ARG H . . 4.070 2.756 2.664 2.856 . 0 0 "[ . 1 . 2]" 1
812 1 49 TYR QB 1 50 ARG QD . . 7.250 6.392 6.285 6.690 . 0 0 "[ . 1 . 2]" 1
813 1 49 TYR QB 1 53 TRP HD1 . . 6.380 5.003 4.367 5.428 . 0 0 "[ . 1 . 2]" 1
814 1 49 TYR HB2 1 50 ARG H . . 4.600 4.069 3.948 4.172 . 0 0 "[ . 1 . 2]" 1
815 1 49 TYR HB2 1 61 MET ME . . 7.560 4.564 2.960 6.092 . 0 0 "[ . 1 . 2]" 1
816 1 49 TYR HB3 1 50 ARG H . . 4.600 2.804 2.703 2.914 . 0 0 "[ . 1 . 2]" 1
817 1 49 TYR HB3 1 61 MET ME . . 7.560 3.199 1.931 5.195 . 0 0 "[ . 1 . 2]" 1
818 1 49 TYR QD 1 53 TRP HH2 . . 9.780 8.819 7.978 9.324 . 0 0 "[ . 1 . 2]" 1
819 1 49 TYR HH 1 55 LEU QD . . 9.130 5.520 2.701 6.875 . 0 0 "[ . 1 . 2]" 1
820 1 49 TYR O 1 53 TRP H . . 2.600 2.503 2.331 2.696 0.096 4 0 "[ . 1 . 2]" 1
821 1 50 ARG H 1 50 ARG HA . . 2.740 2.855 2.772 2.907 0.167 1 0 "[ . 1 . 2]" 1
822 1 50 ARG H 1 50 ARG HB2 . . 3.760 3.586 3.499 3.664 . 0 0 "[ . 1 . 2]" 1
823 1 50 ARG H 1 50 ARG HB3 . . 2.800 2.261 2.148 2.370 . 0 0 "[ . 1 . 2]" 1
824 1 50 ARG H 1 50 ARG QG . . 3.680 2.956 2.814 3.061 . 0 0 "[ . 1 . 2]" 1
825 1 50 ARG H 1 51 GLU H . . 2.800 2.836 2.736 3.007 0.207 17 0 "[ . 1 . 2]" 1
826 1 50 ARG H 1 52 LYS H . . 4.820 4.447 4.336 4.737 . 0 0 "[ . 1 . 2]" 1
827 1 50 ARG H 1 55 LEU MD1 . . 7.560 6.194 4.003 7.180 . 0 0 "[ . 1 . 2]" 1
828 1 50 ARG H 1 55 LEU MD2 . . 7.560 5.602 4.196 6.845 . 0 0 "[ . 1 . 2]" 1
829 1 50 ARG H 1 61 MET ME . . 7.560 3.375 2.728 5.101 . 0 0 "[ . 1 . 2]" 1
830 1 50 ARG HA 1 50 ARG HB3 . . 2.800 2.502 2.431 2.554 . 0 0 "[ . 1 . 2]" 1
831 1 50 ARG HA 1 52 LYS H . . 5.500 4.452 4.329 4.636 . 0 0 "[ . 1 . 2]" 1
832 1 50 ARG HA 1 53 TRP H . . 5.500 3.695 3.530 3.802 . 0 0 "[ . 1 . 2]" 1
833 1 50 ARG HA 1 53 TRP QB . . 3.990 3.344 2.674 3.855 . 0 0 "[ . 1 . 2]" 1
834 1 50 ARG HA 1 53 TRP HD1 . . 5.500 4.569 3.657 4.992 . 0 0 "[ . 1 . 2]" 1
835 1 50 ARG HA 1 55 LEU H . . 3.210 3.339 3.140 3.498 0.288 4 0 "[ . 1 . 2]" 1
836 1 50 ARG HA 1 55 LEU HB2 . . 5.500 2.445 1.969 2.800 . 0 0 "[ . 1 . 2]" 1
837 1 50 ARG HA 1 55 LEU HB3 . . 5.500 3.429 2.712 4.493 . 0 0 "[ . 1 . 2]" 1
838 1 50 ARG HA 1 55 LEU MD1 . . 7.560 3.910 1.926 5.057 . 0 0 "[ . 1 . 2]" 1
839 1 50 ARG HA 1 55 LEU QD . . 7.130 2.925 1.923 4.131 . 0 0 "[ . 1 . 2]" 1
840 1 50 ARG HA 1 55 LEU MD2 . . 7.560 3.475 1.953 4.707 . 0 0 "[ . 1 . 2]" 1
841 1 50 ARG HA 1 55 LEU HG . . 5.500 4.602 3.663 5.507 0.007 5 0 "[ . 1 . 2]" 1
842 1 50 ARG HA 1 61 MET ME . . 7.560 3.328 2.315 4.667 . 0 0 "[ . 1 . 2]" 1
843 1 50 ARG HB2 1 51 GLU H . . 4.540 4.182 4.077 4.294 . 0 0 "[ . 1 . 2]" 1
844 1 50 ARG HB2 1 55 LEU MD1 . . 7.560 4.315 3.072 5.288 . 0 0 "[ . 1 . 2]" 1
845 1 50 ARG HB2 1 55 LEU MD2 . . 7.560 3.768 1.965 5.015 . 0 0 "[ . 1 . 2]" 1
846 1 50 ARG HB3 1 55 LEU MD1 . . 7.560 5.336 3.421 6.438 . 0 0 "[ . 1 . 2]" 1
847 1 50 ARG HB3 1 55 LEU MD2 . . 7.560 4.630 2.974 6.136 . 0 0 "[ . 1 . 2]" 1
848 1 50 ARG QD 1 56 PRO HB3 . . 6.380 6.384 6.193 6.654 0.274 2 0 "[ . 1 . 2]" 1
849 1 50 ARG QD 1 57 VAL QG . . 10.620 5.469 4.899 5.845 . 0 0 "[ . 1 . 2]" 1
850 1 50 ARG QD 1 59 TYR H . . 6.380 4.185 3.845 4.519 . 0 0 "[ . 1 . 2]" 1
851 1 50 ARG HE 1 55 LEU MD1 . . 7.560 6.960 4.953 7.876 0.316 20 0 "[ . 1 . 2]" 1
852 1 50 ARG HE 1 55 LEU MD2 . . 7.560 6.771 4.887 7.875 0.315 6 0 "[ . 1 . 2]" 1
853 1 50 ARG HE 1 57 VAL HA . . 5.500 5.406 4.450 6.117 0.617 8 3 "[ . + 1 *. -]" 1
854 1 50 ARG QG 1 55 LEU H . . 5.260 4.741 4.584 4.830 . 0 0 "[ . 1 . 2]" 1
855 1 50 ARG QG 1 55 LEU QD . . 9.090 4.746 3.342 5.478 . 0 0 "[ . 1 . 2]" 1
856 1 50 ARG QG 1 56 PRO QG . . 8.140 7.717 7.545 7.956 . 0 0 "[ . 1 . 2]" 1
857 1 50 ARG QG 1 58 ASP HA . . 6.380 2.384 2.024 3.227 . 0 0 "[ . 1 . 2]" 1
858 1 50 ARG QG 1 59 TYR QB . . 7.250 5.622 5.024 6.641 . 0 0 "[ . 1 . 2]" 1
859 1 50 ARG QG 1 59 TYR QD . . 10.660 6.191 4.756 7.262 . 0 0 "[ . 1 . 2]" 1
860 1 50 ARG HG2 1 55 LEU MD1 . . 10.700 6.355 5.177 7.453 . 0 0 "[ . 1 . 2]" 1
861 1 50 ARG HG2 1 55 LEU MD2 . . 10.700 5.838 3.494 7.161 . 0 0 "[ . 1 . 2]" 1
862 1 50 ARG HG2 1 58 ASP HB2 . . 5.500 2.454 2.227 2.931 . 0 0 "[ . 1 . 2]" 1
863 1 50 ARG HG3 1 55 LEU MD1 . . 10.700 6.561 5.081 7.436 . 0 0 "[ . 1 . 2]" 1
864 1 50 ARG HG3 1 55 LEU MD2 . . 10.700 6.154 4.426 7.164 . 0 0 "[ . 1 . 2]" 1
865 1 50 ARG HG3 1 58 ASP HB2 . . 5.500 4.071 3.807 4.683 . 0 0 "[ . 1 . 2]" 1
866 1 51 GLU H 1 51 GLU HA . . 2.740 2.895 2.829 2.930 0.190 2 0 "[ . 1 . 2]" 1
867 1 51 GLU H 1 51 GLU HG2 . . 5.500 4.205 2.485 4.660 . 0 0 "[ . 1 . 2]" 1
868 1 51 GLU H 1 51 GLU HG3 . . 5.500 4.052 2.406 4.555 . 0 0 "[ . 1 . 2]" 1
869 1 51 GLU H 1 52 LYS H . . 3.210 2.783 2.707 2.931 . 0 0 "[ . 1 . 2]" 1
870 1 51 GLU H 1 53 TRP H . . 5.130 4.544 4.301 4.775 . 0 0 "[ . 1 . 2]" 1
871 1 51 GLU HA 1 52 LYS H . . 3.580 3.600 3.563 3.676 0.096 20 0 "[ . 1 . 2]" 1
872 1 51 GLU HA 1 54 ASP H . . 3.550 3.420 3.263 3.618 0.068 8 0 "[ . 1 . 2]" 1
873 1 51 GLU QB 1 52 LYS HA . . 6.790 4.244 3.958 4.847 . 0 0 "[ . 1 . 2]" 1
874 1 51 GLU QB 1 52 LYS QG . . 8.140 5.771 4.890 5.993 . 0 0 "[ . 1 . 2]" 1
875 1 51 GLU QG 1 52 LYS H . . 6.380 4.042 2.333 4.511 . 0 0 "[ . 1 . 2]" 1
876 1 52 LYS H 1 52 LYS HA . . 2.900 2.852 2.804 2.889 . 0 0 "[ . 1 . 2]" 1
877 1 52 LYS H 1 52 LYS HB2 . . 3.480 2.760 2.541 3.645 0.165 20 0 "[ . 1 . 2]" 1
878 1 52 LYS H 1 52 LYS HB3 . . 3.480 2.302 2.162 2.587 . 0 0 "[ . 1 . 2]" 1
879 1 52 LYS H 1 52 LYS QE . . 6.380 5.796 5.005 5.996 . 0 0 "[ . 1 . 2]" 1
880 1 52 LYS H 1 52 LYS QG . . 5.040 3.813 2.089 4.077 . 0 0 "[ . 1 . 2]" 1
881 1 52 LYS H 1 53 TRP H . . 2.930 2.916 2.659 3.071 0.141 5 0 "[ . 1 . 2]" 1
882 1 52 LYS H 1 54 ASP H . . 3.610 3.957 3.831 4.045 0.435 8 0 "[ . 1 . 2]" 1
883 1 52 LYS HA 1 54 ASP H . . 4.350 3.933 3.811 4.026 . 0 0 "[ . 1 . 2]" 1
884 1 52 LYS HB2 1 53 TRP H . . 4.540 3.920 3.835 4.003 . 0 0 "[ . 1 . 2]" 1
885 1 52 LYS HB2 1 53 TRP HD1 . . 5.500 4.639 4.324 5.634 0.134 20 0 "[ . 1 . 2]" 1
886 1 52 LYS HB3 1 53 TRP H . . 4.540 2.641 2.342 4.067 . 0 0 "[ . 1 . 2]" 1
887 1 52 LYS HB3 1 53 TRP HD1 . . 5.500 3.194 2.652 5.410 . 0 0 "[ . 1 . 2]" 1
888 1 52 LYS QD 1 53 TRP HE1 . . 6.380 4.747 2.591 5.197 . 0 0 "[ . 1 . 2]" 1
889 1 52 LYS HE2 1 53 TRP HE1 . . 5.500 4.055 3.138 4.649 . 0 0 "[ . 1 . 2]" 1
890 1 52 LYS HE2 1 53 TRP HZ2 . . 5.500 4.974 4.319 5.407 . 0 0 "[ . 1 . 2]" 1
891 1 52 LYS HE3 1 53 TRP HE1 . . 5.500 3.896 3.010 5.611 0.111 1 0 "[ . 1 . 2]" 1
892 1 52 LYS HE3 1 53 TRP HZ2 . . 5.500 4.508 3.016 6.266 0.766 1 1 "[+ . 1 . 2]" 1
893 1 52 LYS QG 1 53 TRP H . . 6.380 2.978 2.325 3.349 . 0 0 "[ . 1 . 2]" 1
894 1 52 LYS QG 1 53 TRP HD1 . . 5.500 2.621 2.344 3.109 . 0 0 "[ . 1 . 2]" 1
895 1 52 LYS QG 1 53 TRP HZ2 . . 5.500 4.841 4.584 5.242 . 0 0 "[ . 1 . 2]" 1
896 1 53 TRP H 1 53 TRP HB2 . . 3.730 2.311 2.243 2.402 . 0 0 "[ . 1 . 2]" 1
897 1 53 TRP H 1 53 TRP QB . . 3.520 2.284 2.219 2.371 . 0 0 "[ . 1 . 2]" 1
898 1 53 TRP H 1 53 TRP HB3 . . 3.730 3.577 3.505 3.649 . 0 0 "[ . 1 . 2]" 1
899 1 53 TRP H 1 53 TRP HD1 . . 5.500 2.683 2.506 2.927 . 0 0 "[ . 1 . 2]" 1
900 1 53 TRP H 1 54 ASP H . . 2.680 2.771 2.635 3.059 0.379 5 0 "[ . 1 . 2]" 1
901 1 53 TRP H 1 55 LEU H . . 5.070 3.850 3.626 4.158 . 0 0 "[ . 1 . 2]" 1
902 1 53 TRP H 1 55 LEU MD1 . . 7.560 4.667 3.022 6.614 . 0 0 "[ . 1 . 2]" 1
903 1 53 TRP H 1 55 LEU MD2 . . 7.560 4.725 3.317 5.776 . 0 0 "[ . 1 . 2]" 1
904 1 53 TRP HA 1 53 TRP QB . . 2.700 2.458 2.434 2.504 . 0 0 "[ . 1 . 2]" 1
905 1 53 TRP HA 1 53 TRP HE3 . . 5.470 3.171 2.692 3.443 . 0 0 "[ . 1 . 2]" 1
906 1 53 TRP HA 1 54 ASP H . . 3.390 3.205 3.133 3.398 0.008 20 0 "[ . 1 . 2]" 1
907 1 53 TRP QB 1 54 ASP H . . 5.020 3.610 3.411 3.737 . 0 0 "[ . 1 . 2]" 1
908 1 53 TRP QB 1 55 LEU HA . . 4.520 4.032 3.824 4.235 . 0 0 "[ . 1 . 2]" 1
909 1 53 TRP QB 1 55 LEU QB . . 6.320 2.930 2.345 3.832 . 0 0 "[ . 1 . 2]" 1
910 1 53 TRP QB 1 55 LEU QD . . 6.850 1.835 1.564 2.938 . 0 0 "[ . 1 . 2]" 1
911 1 53 TRP HB2 1 55 LEU HB2 . . 7.250 3.118 2.540 4.235 . 0 0 "[ . 1 . 2]" 1
912 1 53 TRP HB2 1 55 LEU HB3 . . 7.250 4.666 4.206 5.381 . 0 0 "[ . 1 . 2]" 1
913 1 53 TRP HB2 1 55 LEU MD1 . . 7.560 2.956 1.974 5.012 . 0 0 "[ . 1 . 2]" 1
914 1 53 TRP HB2 1 55 LEU MD2 . . 7.560 2.968 1.817 4.262 . 0 0 "[ . 1 . 2]" 1
915 1 53 TRP HB3 1 55 LEU HB2 . . 7.250 3.857 2.825 5.135 . 0 0 "[ . 1 . 2]" 1
916 1 53 TRP HB3 1 55 LEU HB3 . . 7.250 5.211 4.361 5.791 . 0 0 "[ . 1 . 2]" 1
917 1 53 TRP HB3 1 55 LEU MD1 . . 7.560 2.709 1.636 4.715 . 0 0 "[ . 1 . 2]" 1
918 1 53 TRP HB3 1 55 LEU MD2 . . 7.560 3.092 1.608 5.008 . 0 0 "[ . 1 . 2]" 1
919 1 53 TRP HD1 1 55 LEU MD1 . . 7.560 4.905 3.372 6.953 . 0 0 "[ . 1 . 2]" 1
920 1 53 TRP HD1 1 55 LEU MD2 . . 7.560 4.684 3.574 5.909 . 0 0 "[ . 1 . 2]" 1
921 1 53 TRP HE3 1 55 LEU MD1 . . 7.560 4.189 2.969 5.870 . 0 0 "[ . 1 . 2]" 1
922 1 53 TRP HE3 1 55 LEU MD2 . . 7.560 4.648 3.084 6.671 . 0 0 "[ . 1 . 2]" 1
923 1 53 TRP HZ3 1 55 LEU QD . . 9.130 5.228 4.560 6.225 . 0 0 "[ . 1 . 2]" 1
924 1 54 ASP H 1 54 ASP HA . . 2.400 2.338 2.245 2.401 0.001 19 0 "[ . 1 . 2]" 1
925 1 54 ASP H 1 54 ASP HB2 . . 4.070 3.742 3.650 3.962 . 0 0 "[ . 1 . 2]" 1
926 1 54 ASP H 1 54 ASP HB3 . . 3.890 3.775 2.901 4.027 0.137 13 0 "[ . 1 . 2]" 1
927 1 54 ASP H 1 55 LEU H . . 3.420 2.930 2.826 3.196 . 0 0 "[ . 1 . 2]" 1
928 1 54 ASP HA 1 54 ASP HB2 . . 2.860 2.913 2.511 3.058 0.198 8 0 "[ . 1 . 2]" 1
929 1 54 ASP HA 1 54 ASP HB3 . . 2.710 2.293 2.081 2.447 . 0 0 "[ . 1 . 2]" 1
930 1 54 ASP HA 1 55 LEU QD . . 9.130 4.964 4.414 5.605 . 0 0 "[ . 1 . 2]" 1
931 1 54 ASP HB2 1 55 LEU H . . 4.070 4.272 4.168 4.362 0.292 5 0 "[ . 1 . 2]" 1
932 1 54 ASP HB3 1 55 LEU H . . 4.850 4.561 4.507 4.618 . 0 0 "[ . 1 . 2]" 1
933 1 55 LEU H 1 55 LEU HB2 . . 3.210 2.085 1.913 2.420 . 0 0 "[ . 1 . 2]" 1
934 1 55 LEU H 1 55 LEU QB . . 2.870 2.055 1.894 2.388 . 0 0 "[ . 1 . 2]" 1
935 1 55 LEU H 1 55 LEU HB3 . . 3.210 3.222 2.543 3.681 0.471 10 0 "[ . 1 . 2]" 1
936 1 55 LEU H 1 55 LEU HG . . 5.380 4.105 2.706 4.551 . 0 0 "[ . 1 . 2]" 1
937 1 55 LEU H 1 56 PRO QD . . 5.500 4.157 4.079 4.223 . 0 0 "[ . 1 . 2]" 1
938 1 55 LEU QB 1 56 PRO QD . . 6.380 3.385 3.073 3.596 . 0 0 "[ . 1 . 2]" 1
939 1 55 LEU QB 1 59 TYR H . . 6.100 3.220 2.545 4.094 . 0 0 "[ . 1 . 2]" 1
940 1 55 LEU QB 1 59 TYR QD . . 10.660 3.772 2.149 5.209 . 0 0 "[ . 1 . 2]" 1
941 1 55 LEU HB2 1 56 PRO QD . . 5.500 4.147 3.913 4.278 . 0 0 "[ . 1 . 2]" 1
942 1 55 LEU HB2 1 59 TYR QE . . 9.760 6.457 3.533 7.950 . 0 0 "[ . 1 . 2]" 1
943 1 55 LEU HB3 1 56 PRO QD . . 5.500 3.608 3.166 4.194 . 0 0 "[ . 1 . 2]" 1
944 1 55 LEU HB3 1 59 TYR QE . . 9.760 5.822 3.411 7.970 . 0 0 "[ . 1 . 2]" 1
945 1 55 LEU QD 1 56 PRO HB2 . . 9.130 5.598 4.575 6.066 . 0 0 "[ . 1 . 2]" 1
946 1 55 LEU QD 1 56 PRO QD . . 9.130 2.375 1.626 2.951 . 0 0 "[ . 1 . 2]" 1
947 1 55 LEU QD 1 58 ASP HA . . 9.130 4.526 2.585 4.925 . 0 0 "[ . 1 . 2]" 1
948 1 55 LEU QD 1 59 TYR HA . . 9.130 4.655 3.786 5.863 . 0 0 "[ . 1 . 2]" 1
949 1 55 LEU QD 1 61 MET ME . . 11.190 2.950 1.902 5.515 . 0 0 "[ . 1 . 2]" 1
950 1 55 LEU MD1 1 56 PRO QD . . 7.560 2.818 1.642 4.678 . 0 0 "[ . 1 . 2]" 1
951 1 55 LEU MD1 1 56 PRO QG . . 9.300 4.320 2.868 6.108 . 0 0 "[ . 1 . 2]" 1
952 1 55 LEU MD1 1 59 TYR QD . . 11.840 3.853 2.260 4.860 . 0 0 "[ . 1 . 2]" 1
953 1 55 LEU MD1 1 59 TYR QE . . 11.820 4.900 2.293 6.452 . 0 0 "[ . 1 . 2]" 1
954 1 55 LEU MD2 1 56 PRO QD . . 7.560 3.562 1.891 4.548 . 0 0 "[ . 1 . 2]" 1
955 1 55 LEU MD2 1 56 PRO QG . . 9.300 4.893 3.388 6.036 . 0 0 "[ . 1 . 2]" 1
956 1 55 LEU MD2 1 59 TYR QD . . 11.840 2.980 1.954 4.907 . 0 0 "[ . 1 . 2]" 1
957 1 55 LEU MD2 1 59 TYR QE . . 11.820 4.026 1.881 5.904 . 0 0 "[ . 1 . 2]" 1
958 1 55 LEU HG 1 61 MET ME . . 7.560 4.804 3.313 6.240 . 0 0 "[ . 1 . 2]" 1
959 1 56 PRO HA 1 57 VAL H . . 2.400 2.081 1.978 2.188 . 0 0 "[ . 1 . 2]" 1
960 1 56 PRO HA 1 57 VAL HA . . 4.820 4.228 4.166 4.276 . 0 0 "[ . 1 . 2]" 1
961 1 56 PRO HA 1 57 VAL QG . . 9.740 4.253 4.194 4.324 . 0 0 "[ . 1 . 2]" 1
962 1 56 PRO HA 1 58 ASP H . . 4.540 3.375 3.191 3.608 . 0 0 "[ . 1 . 2]" 1
963 1 56 PRO HA 1 59 TYR QB . . 6.380 5.765 5.341 6.367 . 0 0 "[ . 1 . 2]" 1
964 1 56 PRO HB2 1 57 VAL H . . 2.960 2.996 2.861 3.191 0.231 8 0 "[ . 1 . 2]" 1
965 1 56 PRO HB2 1 57 VAL QG . . 9.740 3.454 3.302 3.686 . 0 0 "[ . 1 . 2]" 1
966 1 56 PRO HB2 1 58 ASP H . . 4.720 5.055 4.943 5.186 0.466 8 0 "[ . 1 . 2]" 1
967 1 56 PRO HB2 1 59 TYR QB . . 6.380 5.710 5.066 6.412 0.032 5 0 "[ . 1 . 2]" 1
968 1 56 PRO HB3 1 57 VAL QG . . 9.740 4.759 4.651 4.916 . 0 0 "[ . 1 . 2]" 1
969 1 56 PRO QD 1 57 VAL H . . 5.500 4.873 4.829 4.912 . 0 0 "[ . 1 . 2]" 1
970 1 56 PRO QD 1 59 TYR H . . 5.500 4.894 4.610 5.255 . 0 0 "[ . 1 . 2]" 1
971 1 56 PRO QD 1 59 TYR QB . . 6.380 4.242 3.664 4.885 . 0 0 "[ . 1 . 2]" 1
972 1 56 PRO QD 1 59 TYR QD . . 9.780 5.363 4.305 6.375 . 0 0 "[ . 1 . 2]" 1
973 1 56 PRO QG 1 58 ASP H . . 7.260 5.349 5.206 5.488 . 0 0 "[ . 1 . 2]" 1
974 1 56 PRO QG 1 59 TYR QD . . 11.540 5.340 3.681 6.321 . 0 0 "[ . 1 . 2]" 1
975 1 57 VAL H 1 57 VAL HA . . 2.400 2.267 2.221 2.303 . 0 0 "[ . 1 . 2]" 1
976 1 57 VAL H 1 57 VAL HB . . 3.230 2.851 2.753 2.945 . 0 0 "[ . 1 . 2]" 1
977 1 57 VAL H 1 58 ASP H . . 3.610 2.936 2.867 3.050 . 0 0 "[ . 1 . 2]" 1
978 1 57 VAL HA 1 57 VAL HB . . 2.690 2.425 2.396 2.458 . 0 0 "[ . 1 . 2]" 1
979 1 57 VAL HA 1 59 TYR H . . 5.500 4.940 4.549 5.548 0.048 5 0 "[ . 1 . 2]" 1
980 1 57 VAL HA 1 59 TYR QD . . 9.780 7.365 6.752 7.723 . 0 0 "[ . 1 . 2]" 1
981 1 57 VAL HB 1 58 ASP H . . 4.540 4.578 4.518 4.632 0.092 17 0 "[ . 1 . 2]" 1
982 1 57 VAL HB 1 59 TYR QD . . 9.780 6.907 5.724 8.123 . 0 0 "[ . 1 . 2]" 1
983 1 57 VAL HB 1 59 TYR QE . . 9.760 8.902 7.312 10.274 0.514 8 1 "[ . + 1 . 2]" 1
984 1 57 VAL QG 1 58 ASP H . . 8.070 3.590 3.498 3.643 . 0 0 "[ . 1 . 2]" 1
985 1 57 VAL QG 1 58 ASP HB2 . . 9.740 5.220 5.150 5.324 . 0 0 "[ . 1 . 2]" 1
986 1 57 VAL QG 1 58 ASP HB3 . . 9.740 4.983 4.857 5.087 . 0 0 "[ . 1 . 2]" 1
987 1 57 VAL QG 1 59 TYR H . . 9.740 3.255 2.786 3.705 . 0 0 "[ . 1 . 2]" 1
988 1 58 ASP H 1 58 ASP HA . . 2.620 2.323 2.221 2.414 . 0 0 "[ . 1 . 2]" 1
989 1 58 ASP H 1 58 ASP HB2 . . 3.980 4.009 3.935 4.058 0.078 1 0 "[ . 1 . 2]" 1
990 1 58 ASP H 1 58 ASP HB3 . . 3.610 3.017 2.909 3.130 . 0 0 "[ . 1 . 2]" 1
991 1 58 ASP H 1 59 TYR H . . 3.390 2.919 2.720 3.205 . 0 0 "[ . 1 . 2]" 1
992 1 58 ASP H 1 59 TYR QB . . 5.760 4.644 4.454 4.873 . 0 0 "[ . 1 . 2]" 1
993 1 58 ASP HA 1 58 ASP HB2 . . 2.650 2.355 2.289 2.418 . 0 0 "[ . 1 . 2]" 1
994 1 58 ASP HA 1 58 ASP HB3 . . 2.400 2.250 2.185 2.312 . 0 0 "[ . 1 . 2]" 1
995 1 58 ASP HA 1 59 TYR H . . 2.740 2.631 2.343 2.837 0.097 4 0 "[ . 1 . 2]" 1
996 1 58 ASP HB2 1 59 TYR H . . 4.720 4.345 4.152 4.452 . 0 0 "[ . 1 . 2]" 1
997 1 58 ASP HB3 1 59 TYR H . . 5.500 4.544 4.439 4.591 . 0 0 "[ . 1 . 2]" 1
998 1 59 TYR H 1 59 TYR HA . . 2.680 2.664 2.537 2.811 0.131 8 0 "[ . 1 . 2]" 1
999 1 59 TYR H 1 59 TYR HB2 . . 3.270 2.725 2.170 3.514 0.244 5 0 "[ . 1 . 2]" 1
1000 1 59 TYR H 1 59 TYR QB . . 3.010 2.199 2.003 2.337 . 0 0 "[ . 1 . 2]" 1
1001 1 59 TYR H 1 59 TYR HB3 . . 3.270 2.562 2.017 3.119 . 0 0 "[ . 1 . 2]" 1
1002 1 59 TYR H 1 60 PRO QD . . 6.380 4.194 3.951 4.395 . 0 0 "[ . 1 . 2]" 1
1003 1 59 TYR HA 1 60 PRO HA . . 4.290 4.454 4.370 4.515 0.225 19 0 "[ . 1 . 2]" 1
1004 1 59 TYR HA 1 61 MET ME . . 7.560 5.251 4.800 7.089 . 0 0 "[ . 1 . 2]" 1
1005 1 59 TYR HB2 1 61 MET ME . . 7.560 5.137 3.977 6.952 . 0 0 "[ . 1 . 2]" 1
1006 1 59 TYR HB3 1 61 MET ME . . 7.560 4.022 2.730 6.713 . 0 0 "[ . 1 . 2]" 1
1007 1 59 TYR QD 1 60 PRO HD2 . . 9.780 2.852 2.527 3.481 . 0 0 "[ . 1 . 2]" 1
1008 1 59 TYR QD 1 60 PRO HD3 . . 9.780 4.297 3.979 4.854 . 0 0 "[ . 1 . 2]" 1
1009 1 59 TYR QD 1 61 MET ME . . 11.840 3.069 2.341 4.641 . 0 0 "[ . 1 . 2]" 1
1010 1 59 TYR QD 1 65 ALA HA . . 9.780 10.116 9.027 10.426 0.646 19 5 "[* * . 1- . +*]" 1
1011 1 59 TYR QE 1 61 MET HA . . 9.760 3.873 3.121 5.776 . 0 0 "[ . 1 . 2]" 1
1012 1 59 TYR QE 1 61 MET ME . . 11.820 3.820 1.735 5.803 . 0 0 "[ . 1 . 2]" 1
1013 1 59 TYR QE 1 61 MET QG . . 11.520 4.901 2.764 6.484 . 0 0 "[ . 1 . 2]" 1
1014 1 60 PRO HA 1 61 MET H . . 2.550 2.060 1.958 2.129 . 0 0 "[ . 1 . 2]" 1
1015 1 60 PRO HA 1 61 MET HA . . 4.170 4.404 4.334 4.471 0.301 6 0 "[ . 1 . 2]" 1
1016 1 60 PRO HA 1 62 VAL H . . 3.730 3.910 3.477 4.245 0.515 4 1 "[ +. 1 . 2]" 1
1017 1 60 PRO QB 1 61 MET H . . 2.960 3.217 3.018 3.483 0.523 20 2 "[ . - 1 . +]" 1
1018 1 60 PRO QB 1 62 VAL H . . 3.420 2.691 2.376 3.046 . 0 0 "[ . 1 . 2]" 1
1019 1 60 PRO QD 1 61 MET ME . . 8.440 5.334 4.602 6.887 . 0 0 "[ . 1 . 2]" 1
1020 1 61 MET H 1 62 VAL H . . 2.860 3.028 2.437 3.391 0.531 4 1 "[ +. 1 . 2]" 1
1021 1 61 MET QB 1 62 VAL HA . . 5.330 4.431 4.105 4.718 . 0 0 "[ . 1 . 2]" 1
1022 1 61 MET QB 1 63 ALA H . . 6.570 6.516 6.060 6.915 0.345 13 0 "[ . 1 . 2]" 1
1023 1 61 MET QG 1 62 VAL H . . 6.380 4.696 4.280 4.904 . 0 0 "[ . 1 . 2]" 1
1024 1 62 VAL H 1 62 VAL HB . . 2.550 3.083 2.779 3.225 0.675 8 13 "[ *** +** **-* * **]" 1
1025 1 62 VAL HA 1 62 VAL HB . . 3.020 3.016 2.982 3.081 0.061 18 0 "[ . 1 . 2]" 1
1026 1 62 VAL HA 1 63 ALA H . . 2.830 2.426 2.173 2.691 . 0 0 "[ . 1 . 2]" 1
1027 1 62 VAL HA 1 63 ALA HA . . 4.630 4.489 4.354 4.626 . 0 0 "[ . 1 . 2]" 1
1028 1 62 VAL HA 1 63 ALA MB . . 7.060 4.227 4.057 4.457 . 0 0 "[ . 1 . 2]" 1
1029 1 62 VAL HB 1 63 ALA H . . 3.330 3.388 2.916 3.920 0.590 2 2 "[ + . 1 . - 2]" 1
1030 1 62 VAL HB 1 63 ALA MB . . 7.560 4.157 3.743 4.514 . 0 0 "[ . 1 . 2]" 1
1031 1 62 VAL HB 1 66 TYR QD . . 9.780 3.659 2.642 4.712 . 0 0 "[ . 1 . 2]" 1
1032 1 62 VAL QG 1 63 ALA H . . 7.130 1.957 1.578 2.405 . 0 0 "[ . 1 . 2]" 1
1033 1 62 VAL QG 1 66 TYR H . . 9.120 4.407 4.064 4.625 . 0 0 "[ . 1 . 2]" 1
1034 1 62 VAL QG 1 66 TYR HB2 . . 9.120 2.655 2.383 2.918 . 0 0 "[ . 1 . 2]" 1
1035 1 62 VAL QG 1 66 TYR HB3 . . 9.120 2.994 2.348 3.999 . 0 0 "[ . 1 . 2]" 1
1036 1 62 VAL QG 1 66 TYR QD . . 13.400 2.659 2.288 2.773 . 0 0 "[ . 1 . 2]" 1
1037 1 62 VAL QG 1 67 ALA H . . 9.120 4.624 3.952 5.648 . 0 0 "[ . 1 . 2]" 1
1038 1 62 VAL QG 1 67 ALA MB . . 10.960 4.448 4.103 5.498 . 0 0 "[ . 1 . 2]" 1
1039 1 62 VAL MG1 1 63 ALA H . . 7.560 1.961 1.579 2.422 . 0 0 "[ . 1 . 2]" 1
1040 1 62 VAL MG1 1 63 ALA HA . . 7.560 4.232 4.021 4.412 . 0 0 "[ . 1 . 2]" 1
1041 1 62 VAL MG1 1 67 ALA HA . . 7.560 6.836 6.167 7.519 . 0 0 "[ . 1 . 2]" 1
1042 1 62 VAL MG2 1 63 ALA H . . 7.560 4.124 3.906 4.280 . 0 0 "[ . 1 . 2]" 1
1043 1 62 VAL MG2 1 63 ALA HA . . 7.560 5.945 5.866 6.004 . 0 0 "[ . 1 . 2]" 1
1044 1 62 VAL MG2 1 67 ALA HA . . 7.560 7.422 6.793 7.966 0.406 2 0 "[ . 1 . 2]" 1
1045 1 63 ALA H 1 63 ALA HA . . 2.590 2.684 2.524 2.828 0.238 6 0 "[ . 1 . 2]" 1
1046 1 63 ALA H 1 64 PRO QD . . 7.260 4.303 4.203 4.407 . 0 0 "[ . 1 . 2]" 1
1047 1 63 ALA H 1 66 TYR QD . . 9.780 4.228 3.545 5.628 . 0 0 "[ . 1 . 2]" 1
1048 1 63 ALA HA 1 64 PRO HG2 . . 5.500 4.392 4.215 4.593 . 0 0 "[ . 1 . 2]" 1
1049 1 63 ALA HA 1 64 PRO HG3 . . 5.500 4.548 4.466 4.657 . 0 0 "[ . 1 . 2]" 1
1050 1 63 ALA HA 1 65 ALA H . . 4.540 4.474 4.155 4.781 0.241 11 0 "[ . 1 . 2]" 1
1051 1 63 ALA MB 1 65 ALA H . . 6.260 3.239 2.888 3.590 . 0 0 "[ . 1 . 2]" 1
1052 1 63 ALA MB 1 66 TYR H . . 5.730 3.141 2.803 4.523 . 0 0 "[ . 1 . 2]" 1
1053 1 63 ALA MB 1 66 TYR HB2 . . 7.560 1.880 1.498 4.551 . 0 0 "[ . 1 . 2]" 1
1054 1 63 ALA MB 1 66 TYR HB3 . . 7.560 3.467 3.050 5.844 . 0 0 "[ . 1 . 2]" 1
1055 1 63 ALA MB 1 66 TYR QD . . 11.840 2.745 2.053 5.136 . 0 0 "[ . 1 . 2]" 1
1056 1 63 ALA MB 1 66 TYR QE . . 11.820 4.561 3.818 6.734 . 0 0 "[ . 1 . 2]" 1
1057 1 64 PRO HA 1 65 ALA MB . . 7.560 4.718 4.408 4.823 . 0 0 "[ . 1 . 2]" 1
1058 1 64 PRO HA 1 66 TYR H . . 4.660 4.318 3.623 4.578 . 0 0 "[ . 1 . 2]" 1
1059 1 64 PRO HA 1 66 TYR QE . . 9.760 9.345 8.853 9.624 . 0 0 "[ . 1 . 2]" 1
1060 1 64 PRO HA 1 69 ALA MB . . 7.560 5.365 3.658 7.499 . 0 0 "[ . 1 . 2]" 1
1061 1 64 PRO QB 1 65 ALA H . . 4.270 3.085 2.591 3.878 . 0 0 "[ . 1 . 2]" 1
1062 1 64 PRO QB 1 65 ALA MB . . 8.440 3.509 3.236 4.218 . 0 0 "[ . 1 . 2]" 1
1063 1 64 PRO QB 1 67 ALA MB . . 8.440 8.482 7.988 8.835 0.395 4 0 "[ . 1 . 2]" 1
1064 1 64 PRO HB2 1 65 ALA H . . 4.570 3.184 2.629 4.248 . 0 0 "[ . 1 . 2]" 1
1065 1 64 PRO HB3 1 65 ALA H . . 4.570 4.202 3.915 4.479 . 0 0 "[ . 1 . 2]" 1
1066 1 64 PRO HD2 1 65 ALA H . . 5.500 3.451 3.219 4.489 . 0 0 "[ . 1 . 2]" 1
1067 1 64 PRO HD3 1 65 ALA H . . 5.500 4.320 4.197 4.729 . 0 0 "[ . 1 . 2]" 1
1068 1 64 PRO QG 1 65 ALA MB . . 8.440 3.669 3.473 4.283 . 0 0 "[ . 1 . 2]" 1
1069 1 65 ALA H 1 66 TYR H . . 3.240 2.709 1.773 3.008 . 0 0 "[ . 1 . 2]" 1
1070 1 65 ALA H 1 66 TYR HB2 . . 4.420 4.454 3.736 4.783 0.363 11 0 "[ . 1 . 2]" 1
1071 1 65 ALA H 1 66 TYR QD . . 9.780 5.799 5.286 6.211 . 0 0 "[ . 1 . 2]" 1
1072 1 65 ALA HA 1 66 TYR H . . 3.140 2.903 2.654 3.121 . 0 0 "[ . 1 . 2]" 1
1073 1 65 ALA HA 1 68 GLU QB . . 6.260 6.113 4.860 7.144 0.884 20 5 "[ . * - . ** +]" 1
1074 1 65 ALA MB 1 66 TYR HA . . 7.560 4.432 4.179 4.656 . 0 0 "[ . 1 . 2]" 1
1075 1 65 ALA MB 1 66 TYR QD . . 11.840 5.992 5.637 6.184 . 0 0 "[ . 1 . 2]" 1
1076 1 65 ALA MB 1 66 TYR QE . . 11.820 7.652 7.392 7.811 . 0 0 "[ . 1 . 2]" 1
1077 1 65 ALA MB 1 69 ALA MB . . 9.620 4.916 2.677 7.529 . 0 0 "[ . 1 . 2]" 1
1078 1 66 TYR H 1 66 TYR HA . . 2.770 2.852 2.790 2.940 0.170 10 0 "[ . 1 . 2]" 1
1079 1 66 TYR H 1 66 TYR HB2 . . 2.900 2.522 2.338 2.683 . 0 0 "[ . 1 . 2]" 1
1080 1 66 TYR H 1 66 TYR HB3 . . 2.590 2.573 2.345 2.800 0.210 19 0 "[ . 1 . 2]" 1
1081 1 66 TYR H 1 67 ALA H . . 3.330 2.993 2.694 3.815 0.485 5 0 "[ . 1 . 2]" 1
1082 1 66 TYR HA 1 66 TYR HB3 . . 2.710 3.022 2.973 3.066 0.356 9 0 "[ . 1 . 2]" 1
1083 1 66 TYR HA 1 69 ALA MB . . 7.530 7.113 5.975 7.710 0.180 17 0 "[ . 1 . 2]" 1
1084 1 66 TYR HB2 1 67 ALA H . . 3.890 3.779 3.529 4.003 0.113 18 0 "[ . 1 . 2]" 1
1085 1 66 TYR HB3 1 67 ALA H . . 4.790 2.438 2.055 2.849 . 0 0 "[ . 1 . 2]" 1
1086 1 66 TYR QD 1 67 ALA HA . . 9.780 4.597 4.011 5.156 . 0 0 "[ . 1 . 2]" 1
1087 1 66 TYR QD 1 69 ALA HA . . 9.780 7.660 5.378 9.754 . 0 0 "[ . 1 . 2]" 1
1088 1 66 TYR QE 1 67 ALA HA . . 9.760 5.867 4.504 6.650 . 0 0 "[ . 1 . 2]" 1
1089 1 67 ALA H 1 67 ALA HA . . 2.770 2.901 2.774 3.037 0.267 3 0 "[ . 1 . 2]" 1
1090 1 67 ALA HA 1 68 GLU H . . 2.650 2.400 2.158 2.868 0.218 4 0 "[ . 1 . 2]" 1
1091 1 68 GLU H 1 68 GLU HA . . 2.740 2.507 2.237 2.939 0.199 6 0 "[ . 1 . 2]" 1
1092 1 68 GLU HA 1 69 ALA H . . 3.300 2.891 2.384 3.446 0.146 18 0 "[ . 1 . 2]" 1
1093 1 68 GLU QB 1 73 LEU HA . . 7.260 5.565 2.949 7.045 . 0 0 "[ . 1 . 2]" 1
1094 1 68 GLU QG 1 73 LEU HA . . 7.260 6.188 3.138 7.718 0.458 17 0 "[ . 1 . 2]" 1
1095 1 69 ALA H 1 69 ALA HA . . 2.430 2.303 2.227 2.372 . 0 0 "[ . 1 . 2]" 1
1096 1 69 ALA HA 1 70 ARG H . . 2.520 2.683 2.182 3.009 0.489 5 0 "[ . 1 . 2]" 1
1097 1 69 ALA HA 1 70 ARG QB . . 5.370 4.565 4.208 4.928 . 0 0 "[ . 1 . 2]" 1
1098 1 69 ALA HA 1 71 SER QB . . 7.260 6.765 5.747 7.562 0.302 15 0 "[ . 1 . 2]" 1
1099 1 69 ALA HA 1 72 ARG QB . . 7.260 7.245 6.011 7.888 0.628 19 2 "[ . 1 . +-]" 1
1100 1 69 ALA MB 1 70 ARG QB . . 9.300 4.576 3.725 5.179 . 0 0 "[ . 1 . 2]" 1
1101 1 69 ALA MB 1 71 SER HA . . 7.560 6.428 5.004 7.573 0.013 10 0 "[ . 1 . 2]" 1
1102 1 70 ARG HA 1 73 LEU QD . . 9.760 5.251 3.620 6.877 . 0 0 "[ . 1 . 2]" 1
1103 1 70 ARG QB 1 73 LEU HA . . 4.590 4.092 2.193 5.109 0.519 20 2 "[ . - 1 . +]" 1
1104 1 70 ARG QD 1 73 LEU HA . . 7.260 5.776 2.991 7.456 0.196 20 0 "[ . 1 . 2]" 1
1105 1 71 SER HA 1 73 LEU H . . 4.170 4.176 3.333 4.763 0.593 12 1 "[ . 1 + . 2]" 1
1106 1 72 ARG HA 1 73 LEU H . . 3.170 2.860 2.188 3.397 0.227 7 0 "[ . 1 . 2]" 1
1107 1 73 LEU H 1 73 LEU HA . . 2.830 2.507 2.236 3.011 0.181 12 0 "[ . 1 . 2]" 1
1108 1 73 LEU QB 1 74 ALA HA . . 5.210 4.645 4.049 5.357 0.147 17 0 "[ . 1 . 2]" 1
1109 1 73 LEU QB 1 74 ALA MB . . 9.150 4.073 3.179 4.802 . 0 0 "[ . 1 . 2]" 1
1110 1 73 LEU QD 1 74 ALA MB . . 11.820 3.834 2.320 5.072 . 0 0 "[ . 1 . 2]" 1
1111 1 74 ALA H 1 74 ALA HA . . 2.800 2.813 2.308 3.030 0.230 12 0 "[ . 1 . 2]" 1
1112 1 74 ALA HA 1 76 GLU QB . . 5.150 5.270 4.458 5.942 0.792 13 6 "[ - .** 1 *+ * 2]" 1
1113 1 75 LYS H 1 75 LYS HA . . 2.930 2.602 2.238 3.051 0.121 3 0 "[ . 1 . 2]" 1
1114 1 75 LYS HA 1 76 GLU H . . 2.430 2.384 2.017 2.812 0.382 7 0 "[ . 1 . 2]" 1
1115 1 75 LYS QB 1 76 GLU H . . 5.580 3.586 1.742 4.091 . 0 0 "[ . 1 . 2]" 1
1116 1 75 LYS QE 1 76 GLU QG . . 9.000 6.446 3.409 8.868 . 0 0 "[ . 1 . 2]" 1
1117 1 76 GLU H 1 76 GLU HA . . 2.710 2.781 2.330 2.993 0.283 11 0 "[ . 1 . 2]" 1
1118 1 76 GLU HA 1 77 MET H . . 2.930 2.317 2.015 2.762 . 0 0 "[ . 1 . 2]" 1
1119 1 79 LEU QB 1 81 GLN HA . . 4.590 4.714 4.506 5.186 0.596 11 2 "[ . 1+ -. 2]" 1
1120 1 79 LEU QD 1 81 GLN HA . . 9.130 5.066 3.553 6.002 . 0 0 "[ . 1 . 2]" 1
1121 1 79 LEU HG 1 80 GLY QA . . 7.260 5.927 4.975 6.285 . 0 0 "[ . 1 . 2]" 1
1122 1 81 GLN HA 1 82 ARG H . . 2.830 2.252 2.016 2.894 0.064 14 0 "[ . 1 . 2]" 1
1123 1 82 ARG H 1 82 ARG HB2 . . 3.480 3.193 1.944 3.977 0.497 9 0 "[ . 1 . 2]" 1
1124 1 82 ARG H 1 82 ARG QB . . 3.260 2.730 1.925 3.350 0.090 9 0 "[ . 1 . 2]" 1
1125 1 82 ARG H 1 82 ARG HB3 . . 3.480 3.127 2.467 3.928 0.448 13 0 "[ . 1 . 2]" 1
1126 1 87 ARG HA 1 87 ARG QB . . 2.610 2.254 2.028 2.452 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 5:32:07 PM GMT (wattos1)