NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
597451 |
2mx0   |
25380 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mx0
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 907
_Distance_constraint_stats_list.Viol_count 4026
_Distance_constraint_stats_list.Viol_total 46180.902
_Distance_constraint_stats_list.Viol_max 4.608
_Distance_constraint_stats_list.Viol_rms 0.3872
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1273
_Distance_constraint_stats_list.Viol_average_violations_only 0.5735
_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 MET 13.158 0.752 2 8 "[ + * * *1 - ** * 2]"
1 4 LYS 17.524 0.752 2 10 "[ + * * *1*- *** * 2]"
1 5 LEU 149.918 2.927 16 17 "[**********- ***+** 2]"
1 6 VAL 64.160 1.545 1 16 "[+***.*-**** * *****2]"
1 7 LEU 144.811 3.340 12 20 [*******-***+********]
1 8 ALA 6.455 0.411 18 0 "[ . 1 . 2]"
1 9 LYS 28.397 1.112 12 10 "[ ** . ** **+-*. * 2]"
1 10 ASN 37.886 2.095 4 12 "[ * +* *****-*.** 2]"
1 11 THR 25.697 1.112 12 15 "[**- **** **+**.* **2]"
1 12 ARG 21.393 1.127 20 16 "[****-* *** **.****+]"
1 13 LYS 17.912 2.095 4 6 "[ +** *1 .*- 2]"
1 14 SER 31.724 3.340 12 13 "[ ***** *** + -.* * *]"
1 15 ASP 6.367 0.587 12 1 "[ . 1 + . 2]"
1 16 ALA 11.084 0.939 3 6 "[ + *- *1 * .* 2]"
1 17 LYS 6.643 0.939 3 4 "[ + .* 1 * -. 2]"
1 18 SER 37.080 2.997 7 15 "[*-**.*+ ***** ** **2]"
1 19 VAL 63.032 2.762 7 16 "[-***.*+****** ** **2]"
1 20 GLU 82.250 2.997 7 15 "[****.*+* **** ** **2]"
1 21 LEU 119.982 3.045 18 20 [*****************+*-]
1 22 GLU 13.978 1.172 9 6 "[-* . *+1* * . 2]"
1 23 ASP 9.912 0.437 16 0 "[ . 1 . 2]"
1 24 LEU 114.473 3.201 17 20 [****-***********+***]
1 25 TYR 42.134 1.589 20 19 "[ ************-*****+]"
1 26 HIS 4.313 0.406 6 0 "[ . 1 . 2]"
1 27 GLU 11.693 1.699 19 4 "[ * . - 1 * +2]"
1 28 PHE 116.120 3.600 20 20 [**********-********+]
1 29 SER 19.245 1.435 19 8 "[ * .* **1- * * +2]"
1 30 GLU 73.162 2.066 19 20 [******-***********+*]
1 31 ASP 72.028 2.534 10 20 [********-+**********]
1 32 LYS 27.456 1.799 10 13 "[** *** *+ *.**-**]"
1 33 ARG 72.131 2.373 10 20 [*******-*+**********]
1 34 SER 47.234 1.762 9 19 "[*****-**+**** ******]"
1 35 ILE 153.047 4.608 2 19 "[ +*************-****]"
1 36 PHE 99.385 2.065 9 20 [********+******-****]
1 37 TYR 51.868 2.062 11 20 [**********+***-*****]
1 38 PHE 144.634 2.565 18 20 [*****-***********+**]
1 39 ALA 28.385 1.847 2 18 "[*+***** **** *****-*]"
1 40 PRO 2.447 0.339 8 0 "[ . 1 . 2]"
1 41 THR 82.579 2.848 8 20 [*******+*******-****]
1 42 ASN 4.530 0.456 1 0 "[ . 1 . 2]"
1 43 ALA 39.479 1.954 9 20 [******-*+***********]
1 44 HIS 90.734 2.108 20 20 [*******-***********+]
1 45 LYS 61.658 1.954 9 20 [******-*+***********]
1 46 ASP 12.856 0.596 9 2 "[ . +- . 2]"
1 47 MET 18.802 1.496 2 12 "[ +* ** **** *.- * *]"
1 48 LEU 85.755 2.108 20 16 "[****** ***** *.- **+]"
1 49 LYS 3.191 0.384 4 0 "[ . 1 . 2]"
1 50 ALA 6.839 3.673 2 1 "[ + . 1 . 2]"
1 51 VAL 5.316 0.390 2 0 "[ . 1 . 2]"
1 52 ASP 34.125 1.647 11 20 [**********+****-****]
1 53 PHE 11.019 0.844 2 1 "[ + . 1 . 2]"
1 54 PHE 100.834 4.608 2 20 [*+*********-********]
1 55 LYS 13.655 0.712 2 1 "[ + . 1 . 2]"
1 56 GLU 103.004 2.364 18 20 [********-********+**]
1 57 LYS 135.501 3.045 18 20 [********-********+**]
1 58 GLY 14.745 1.181 10 4 "[ * . *+ . - 2]"
1 59 HIS 57.259 1.589 20 20 [***************-***+]
1 60 THR 61.095 2.198 12 20 [***********+***-****]
1 61 ALA 25.009 1.536 12 17 "[** ********+* *** *-]"
1 62 TYR 53.419 2.114 11 17 "[* *******-+**** * **]"
1 63 LEU 64.652 2.114 11 20 [**********+***-*****]
1 64 ASP 14.052 1.096 9 6 "[ . * +1 ** * -]"
1 65 GLU 25.271 1.470 13 20 [**-*********+*******]
1 66 VAL 64.027 1.993 17 20 [****************+**-]
1 67 ARG 32.380 1.794 12 20 [******-****+********]
1 68 VAL 43.656 1.794 12 20 [******-****+********]
1 69 SER 31.452 1.216 18 16 "[*** *** **** ****+ -]"
1 70 THR 7.312 0.956 13 2 "[ . 1 + - 2]"
1 71 ASP 39.906 0.911 13 14 "[** *. * -***+***** 2]"
1 72 GLU 27.536 1.993 17 8 "[* * * 1 *.*+- *]"
1 73 LYS 111.564 2.848 8 20 [*******+-***********]
1 74 ASP 30.168 1.283 17 17 "[** ******1** ***+-**]"
1 75 PHE 118.942 3.106 1 20 [+************-******]
1 76 LEU 220.881 4.196 9 20 [********+**********-]
1 77 TYR 168.770 3.361 12 20 [***********+*-******]
1 78 GLU 188.497 4.196 9 20 [*******-+***********]
1 79 LEU 78.035 3.361 12 16 "[* *********+*-*** 2]"
1 80 HIS 105.218 3.201 17 20 [****-***********+***]
1 81 ILE 202.269 3.600 20 17 "[****** *-*****.** *+]"
1 82 ILE 32.976 1.866 4 18 "[***+***-** ** ******]"
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 MET H 1 4 LYS H . . 2.230 2.599 1.904 2.912 0.682 14 7 "[ * * * *1 - +* 2]" 1
2 1 3 MET H 1 4 LYS HA . . 4.370 4.636 4.281 5.122 0.752 2 3 "[ + - 1 . * 2]" 1
3 1 4 LYS H 1 5 LEU H . . 3.400 2.854 2.509 3.487 0.087 12 0 "[ . 1 . 2]" 1
4 1 4 LYS HA 1 5 LEU H . . 2.870 3.062 2.666 3.589 0.719 16 2 "[ . 1- .+ 2]" 1
5 1 5 LEU H 1 6 VAL H . . 4.630 4.413 4.179 4.714 0.084 16 0 "[ . 1 . 2]" 1
6 1 5 LEU H 1 6 VAL HA . . 4.980 4.931 4.718 5.430 0.450 16 0 "[ . 1 . 2]" 1
7 1 5 LEU H 1 35 ILE HA . . 5.310 5.156 4.781 5.498 0.188 20 0 "[ . 1 . 2]" 1
8 1 5 LEU H 1 35 ILE HB . . 4.710 5.562 4.533 7.637 2.927 16 8 "[ -* . *1* * *+* 2]" 1
9 1 5 LEU H 1 36 PHE H . . 4.660 4.766 4.566 4.908 0.248 9 0 "[ . 1 . 2]" 1
10 1 5 LEU HA 1 6 VAL H . . 2.530 2.210 2.051 2.322 . 0 0 "[ . 1 . 2]" 1
11 1 5 LEU HA 1 6 VAL HA . . 4.690 4.428 4.230 4.521 . 0 0 "[ . 1 . 2]" 1
12 1 5 LEU HA 1 6 VAL HB . . 4.970 4.506 4.231 4.879 . 0 0 "[ . 1 . 2]" 1
13 1 5 LEU HA 1 35 ILE HA . . 4.260 3.988 3.664 4.463 0.203 11 0 "[ . 1 . 2]" 1
14 1 5 LEU HA 1 36 PHE QB . . 4.970 3.226 2.897 4.596 . 0 0 "[ . 1 . 2]" 1
15 1 5 LEU HA 1 36 PHE QD . . 4.880 4.492 3.864 5.073 0.193 2 0 "[ . 1 . 2]" 1
16 1 5 LEU HA 1 37 TYR H . . 5.130 5.196 5.028 5.467 0.337 11 0 "[ . 1 . 2]" 1
17 1 5 LEU QB 1 6 VAL H . . 4.280 2.622 2.189 3.777 . 0 0 "[ . 1 . 2]" 1
18 1 5 LEU QB 1 7 LEU HG . . 5.690 4.122 3.484 4.579 . 0 0 "[ . 1 . 2]" 1
19 1 5 LEU QB 1 35 ILE HA . . 5.270 5.346 4.730 6.112 0.842 16 4 "[ *. * - .+ 2]" 1
20 1 5 LEU QB 1 35 ILE HB . . 5.480 5.633 4.318 7.419 1.939 16 8 "[ ** . *1* - *+* 2]" 1
21 1 5 LEU QB 1 36 PHE H . . 3.580 3.902 3.292 4.712 1.132 16 9 "[ **.*** *- .+* 2]" 1
22 1 5 LEU QB 1 36 PHE HA . . 5.570 5.373 4.738 6.205 0.635 16 3 "[ . * 1- .+ 2]" 1
23 1 5 LEU QB 1 36 PHE QB . . 4.770 3.205 2.460 4.425 . 0 0 "[ . 1 . 2]" 1
24 1 5 LEU QD 1 6 VAL H . . 4.820 3.204 2.183 4.111 . 0 0 "[ . 1 . 2]" 1
25 1 5 LEU QD 1 6 VAL HA . . 5.350 3.922 2.560 5.294 . 0 0 "[ . 1 . 2]" 1
26 1 5 LEU QD 1 7 LEU H . . 4.690 4.379 2.731 6.216 1.526 17 9 "[ **.*** * .-+* 2]" 1
27 1 5 LEU QD 1 7 LEU HA . . 4.960 4.519 3.396 5.981 1.021 18 5 "[ *-. * . *+ 2]" 1
28 1 5 LEU QD 1 7 LEU QB . . 5.290 4.633 3.467 6.174 0.884 18 4 "[ *. - 1 . *+ 2]" 1
29 1 5 LEU QD 1 7 LEU QD . . 3.480 2.759 1.973 3.878 0.398 18 0 "[ . 1 . 2]" 1
30 1 5 LEU QD 1 7 LEU HG . . 2.720 3.272 1.818 5.048 2.328 17 10 "[ **.*** *- .*+* 2]" 1
31 1 5 LEU QD 1 38 PHE HB3 . . 4.600 4.036 2.318 5.397 0.797 18 1 "[ . 1 . + 2]" 1
32 1 5 LEU QD 1 38 PHE QD . . 5.190 3.795 2.649 5.063 . 0 0 "[ . 1 . 2]" 1
33 1 5 LEU HG 1 6 VAL H . . 4.950 4.503 3.142 5.065 0.115 3 0 "[ . 1 . 2]" 1
34 1 5 LEU HG 1 6 VAL HA . . 5.210 5.719 3.732 6.568 1.358 3 9 "[ +*.*** * .-** 2]" 1
35 1 5 LEU HG 1 6 VAL MG2 . . 5.800 5.748 4.778 6.350 0.550 16 1 "[ . 1 .+ 2]" 1
36 1 5 LEU HG 1 7 LEU H . . 5.580 6.731 4.157 8.005 2.425 3 15 "[* +*-***** ****** 2]" 1
37 1 5 LEU HG 1 7 LEU HG . . 4.850 5.632 2.870 7.124 2.274 18 10 "[ -**.*** * .**+ 2]" 1
38 1 5 LEU HG 1 36 PHE H . . 5.620 4.755 2.643 5.910 0.290 9 0 "[ . 1 . 2]" 1
39 1 6 VAL H 1 7 LEU H . . 4.440 4.348 4.006 4.581 0.141 5 0 "[ . 1 . 2]" 1
40 1 6 VAL H 1 7 LEU HA . . 5.110 4.793 4.463 4.966 . 0 0 "[ . 1 . 2]" 1
41 1 6 VAL H 1 7 LEU HG . . 4.950 4.942 4.393 5.765 0.815 6 1 "[ .+ 1 . 2]" 1
42 1 6 VAL H 1 20 GLU QB . . 5.730 5.831 5.410 6.239 0.509 7 1 "[ . + 1 . 2]" 1
43 1 6 VAL H 1 35 ILE HB . . 4.550 4.695 3.642 6.070 1.520 2 8 "[ +* . *1* - *** 2]" 1
44 1 6 VAL H 1 35 ILE MD . . 4.650 4.228 3.220 5.531 0.881 11 2 "[ . 1+ - 2]" 1
45 1 6 VAL H 1 36 PHE H . . 4.180 4.175 3.858 4.606 0.426 10 0 "[ . 1 . 2]" 1
46 1 6 VAL H 1 36 PHE HA . . 5.180 5.182 5.088 5.307 0.127 10 0 "[ . 1 . 2]" 1
47 1 6 VAL H 1 36 PHE QB . . 5.570 4.187 3.844 5.161 . 0 0 "[ . 1 . 2]" 1
48 1 6 VAL H 1 37 TYR H . . 4.630 4.718 4.518 4.871 0.241 10 0 "[ . 1 . 2]" 1
49 1 6 VAL H 1 37 TYR HA . . 2.600 2.547 2.270 2.810 0.210 10 0 "[ . 1 . 2]" 1
50 1 6 VAL H 1 37 TYR QB . . 5.530 4.323 3.898 4.630 . 0 0 "[ . 1 . 2]" 1
51 1 6 VAL H 1 37 TYR QD . . 5.070 3.915 3.321 4.740 . 0 0 "[ . 1 . 2]" 1
52 1 6 VAL H 1 38 PHE H . . 3.400 3.285 3.016 3.578 0.178 12 0 "[ . 1 . 2]" 1
53 1 6 VAL H 1 38 PHE QB . . 5.030 4.323 3.643 5.016 . 0 0 "[ . 1 . 2]" 1
54 1 6 VAL HA 1 7 LEU H . . 2.460 2.209 2.018 2.385 . 0 0 "[ . 1 . 2]" 1
55 1 6 VAL HA 1 7 LEU HA . . 4.720 4.430 4.359 4.525 . 0 0 "[ . 1 . 2]" 1
56 1 6 VAL HA 1 7 LEU QD . . 5.740 4.267 3.050 4.647 . 0 0 "[ . 1 . 2]" 1
57 1 6 VAL HA 1 7 LEU HG . . 4.390 3.950 3.575 5.489 1.099 6 1 "[ .+ 1 . 2]" 1
58 1 6 VAL HA 1 16 ALA MB . . 4.940 4.949 4.559 5.476 0.536 6 1 "[ .+ 1 . 2]" 1
59 1 6 VAL HA 1 19 VAL HB . . 4.050 4.353 3.852 5.335 1.285 19 5 "[** . *- . +2]" 1
60 1 6 VAL HA 1 19 VAL QG . . 4.180 3.026 2.475 3.863 . 0 0 "[ . 1 . 2]" 1
61 1 6 VAL HA 1 20 GLU H . . 5.190 5.399 4.868 5.701 0.511 8 1 "[ . + 1 . 2]" 1
62 1 6 VAL HA 1 37 TYR QD . . 5.790 4.752 4.120 5.479 . 0 0 "[ . 1 . 2]" 1
63 1 6 VAL HA 1 38 PHE H . . 4.940 4.891 4.725 5.020 0.080 17 0 "[ . 1 . 2]" 1
64 1 6 VAL HB 1 7 LEU H . . 4.650 4.190 3.862 4.574 . 0 0 "[ . 1 . 2]" 1
65 1 6 VAL HB 1 7 LEU HA . . 5.270 4.933 4.525 5.204 . 0 0 "[ . 1 . 2]" 1
66 1 6 VAL HB 1 19 VAL HB . . 5.700 5.779 4.993 7.245 1.545 1 5 "[+* . *1 - . *2]" 1
67 1 6 VAL HB 1 20 GLU H . . 5.250 5.163 4.759 5.613 0.363 1 0 "[ . 1 . 2]" 1
68 1 6 VAL HB 1 20 GLU HA . . 5.060 4.521 3.982 5.227 0.167 1 0 "[ . 1 . 2]" 1
69 1 6 VAL HB 1 37 TYR HA . . 2.660 2.565 2.023 2.929 0.269 6 0 "[ . 1 . 2]" 1
70 1 6 VAL HB 1 37 TYR QB . . 4.760 3.372 2.640 3.813 . 0 0 "[ . 1 . 2]" 1
71 1 6 VAL HB 1 37 TYR QD . . 2.880 2.217 1.598 3.104 0.224 13 0 "[ . 1 . 2]" 1
72 1 6 VAL HB 1 38 PHE H . . 3.860 3.742 3.413 4.169 0.309 6 0 "[ . 1 . 2]" 1
73 1 6 VAL MG1 1 7 LEU H . . 3.540 2.465 1.915 3.270 . 0 0 "[ . 1 . 2]" 1
74 1 6 VAL MG1 1 7 LEU HA . . 4.580 3.798 3.555 4.066 . 0 0 "[ . 1 . 2]" 1
75 1 6 VAL MG1 1 7 LEU QD . . 5.440 4.423 3.852 4.625 . 0 0 "[ . 1 . 2]" 1
76 1 6 VAL MG1 1 7 LEU HG . . 5.770 4.746 4.334 5.511 . 0 0 "[ . 1 . 2]" 1
77 1 6 VAL MG1 1 8 ALA H . . 5.140 4.357 4.094 4.765 . 0 0 "[ . 1 . 2]" 1
78 1 6 VAL MG1 1 8 ALA HA . . 4.540 4.298 4.067 4.896 0.356 7 0 "[ . 1 . 2]" 1
79 1 6 VAL MG1 1 16 ALA MB . . 5.620 3.971 3.621 4.417 . 0 0 "[ . 1 . 2]" 1
80 1 6 VAL MG1 1 20 GLU QB . . 3.860 1.833 1.623 2.109 . 0 0 "[ . 1 . 2]" 1
81 1 6 VAL MG1 1 20 GLU QG . . 5.240 3.489 2.931 3.848 . 0 0 "[ . 1 . 2]" 1
82 1 6 VAL MG1 1 37 TYR HA . . 4.820 3.863 3.482 4.065 . 0 0 "[ . 1 . 2]" 1
83 1 6 VAL MG1 1 37 TYR QD . . 4.640 2.694 2.020 3.278 . 0 0 "[ . 1 . 2]" 1
84 1 6 VAL MG1 1 38 PHE H . . 4.950 4.141 3.706 4.411 . 0 0 "[ . 1 . 2]" 1
85 1 6 VAL MG2 1 7 LEU H . . 5.000 3.966 3.716 4.271 . 0 0 "[ . 1 . 2]" 1
86 1 6 VAL MG2 1 19 VAL HB . . 4.900 3.849 3.143 5.226 0.326 1 0 "[ . 1 . 2]" 1
87 1 6 VAL MG2 1 19 VAL QG . . 4.260 2.293 1.657 2.952 . 0 0 "[ . 1 . 2]" 1
88 1 6 VAL MG2 1 20 GLU H . . 4.980 3.490 3.113 3.848 . 0 0 "[ . 1 . 2]" 1
89 1 6 VAL MG2 1 20 GLU HA . . 3.720 2.190 1.948 2.657 . 0 0 "[ . 1 . 2]" 1
90 1 6 VAL MG2 1 35 ILE HB . . 4.140 3.623 2.792 4.457 0.317 11 0 "[ . 1 . 2]" 1
91 1 6 VAL MG2 1 35 ILE MG . . 4.980 2.952 1.864 3.637 . 0 0 "[ . 1 . 2]" 1
92 1 6 VAL MG2 1 36 PHE H . . 5.410 4.954 4.270 5.344 . 0 0 "[ . 1 . 2]" 1
93 1 6 VAL MG2 1 37 TYR HA . . 4.530 3.873 3.239 4.231 . 0 0 "[ . 1 . 2]" 1
94 1 6 VAL MG2 1 37 TYR QD . . 4.780 3.411 2.784 3.967 . 0 0 "[ . 1 . 2]" 1
95 1 6 VAL MG2 1 38 PHE H . . 5.790 4.990 4.672 5.302 . 0 0 "[ . 1 . 2]" 1
96 1 7 LEU H 1 8 ALA H . . 4.840 4.468 4.308 4.575 . 0 0 "[ . 1 . 2]" 1
97 1 7 LEU H 1 8 ALA HA . . 5.690 5.445 5.134 5.895 0.205 2 0 "[ . 1 . 2]" 1
98 1 7 LEU H 1 16 ALA HA . . 5.200 4.804 4.161 5.286 0.086 4 0 "[ . 1 . 2]" 1
99 1 7 LEU H 1 16 ALA MB . . 4.680 3.235 2.787 3.989 . 0 0 "[ . 1 . 2]" 1
100 1 7 LEU H 1 19 VAL HB . . 4.910 4.348 3.301 5.669 0.759 2 2 "[ + . -1 . 2]" 1
101 1 7 LEU H 1 19 VAL QG . . 5.330 3.454 2.545 4.309 . 0 0 "[ . 1 . 2]" 1
102 1 7 LEU H 1 37 TYR HA . . 5.600 5.456 5.284 5.574 . 0 0 "[ . 1 . 2]" 1
103 1 7 LEU H 1 38 PHE H . . 4.850 4.845 4.699 5.010 0.160 1 0 "[ . 1 . 2]" 1
104 1 7 LEU H 1 38 PHE QB . . 4.820 4.727 4.143 5.201 0.381 5 0 "[ . 1 . 2]" 1
105 1 7 LEU H 1 38 PHE QD . . 5.550 5.634 4.786 6.714 1.164 13 2 "[ . - 1 + . 2]" 1
106 1 7 LEU HA 1 8 ALA H . . 2.470 2.139 2.048 2.299 . 0 0 "[ . 1 . 2]" 1
107 1 7 LEU HA 1 8 ALA HA . . 4.650 4.459 4.374 4.589 . 0 0 "[ . 1 . 2]" 1
108 1 7 LEU HA 1 8 ALA MB . . 4.990 3.832 3.702 3.965 . 0 0 "[ . 1 . 2]" 1
109 1 7 LEU HA 1 16 ALA MB . . 5.160 4.202 4.010 4.584 . 0 0 "[ . 1 . 2]" 1
110 1 7 LEU HA 1 37 TYR HA . . 5.220 4.834 4.463 5.042 . 0 0 "[ . 1 . 2]" 1
111 1 7 LEU HA 1 38 PHE H . . 3.470 3.216 2.861 3.391 . 0 0 "[ . 1 . 2]" 1
112 1 7 LEU HA 1 38 PHE HA . . 5.070 4.847 4.557 5.045 . 0 0 "[ . 1 . 2]" 1
113 1 7 LEU HA 1 38 PHE QB . . 2.440 2.422 2.126 2.765 0.325 18 0 "[ . 1 . 2]" 1
114 1 7 LEU HA 1 39 ALA HA . . 5.350 4.682 4.396 4.881 . 0 0 "[ . 1 . 2]" 1
115 1 7 LEU QB 1 8 ALA H . . 3.470 2.971 2.679 3.195 . 0 0 "[ . 1 . 2]" 1
116 1 7 LEU QB 1 8 ALA HA . . 5.480 4.485 4.324 4.605 . 0 0 "[ . 1 . 2]" 1
117 1 7 LEU QB 1 8 ALA MB . . 5.310 3.987 3.755 4.259 . 0 0 "[ . 1 . 2]" 1
118 1 7 LEU QB 1 16 ALA MB . . 4.400 2.066 1.789 2.939 . 0 0 "[ . 1 . 2]" 1
119 1 7 LEU QB 1 38 PHE H . . 5.710 5.182 4.857 5.361 . 0 0 "[ . 1 . 2]" 1
120 1 7 LEU QB 1 38 PHE QB . . 4.030 3.896 3.407 4.069 0.039 3 0 "[ . 1 . 2]" 1
121 1 7 LEU QB 1 38 PHE QD . . 2.940 3.964 2.806 5.505 2.565 18 12 "[** **-** 1 *** +*2]" 1
122 1 7 LEU QD 1 8 ALA H . . 5.700 3.381 2.887 4.053 . 0 0 "[ . 1 . 2]" 1
123 1 7 LEU QD 1 14 SER HG . . 5.210 4.794 3.317 8.550 3.340 12 4 "[ .- * + . * 2]" 1
124 1 7 LEU QD 1 16 ALA HA . . 5.140 4.744 4.116 5.296 0.156 14 0 "[ . 1 . 2]" 1
125 1 7 LEU QD 1 16 ALA MB . . 5.010 3.137 2.309 4.010 . 0 0 "[ . 1 . 2]" 1
126 1 7 LEU QD 1 38 PHE QB . . 4.070 1.827 1.459 2.863 . 0 0 "[ . 1 . 2]" 1
127 1 7 LEU HG 1 8 ALA H . . 5.070 4.937 3.977 5.169 0.099 20 0 "[ . 1 . 2]" 1
128 1 7 LEU HG 1 16 ALA MB . . 4.700 4.148 3.542 5.544 0.844 6 1 "[ .+ 1 . 2]" 1
129 1 7 LEU HG 1 38 PHE H . . 4.790 5.075 4.184 5.559 0.769 2 4 "[ + . 1- .* *2]" 1
130 1 7 LEU HG 1 38 PHE QB . . 3.730 3.808 2.151 4.167 0.437 17 0 "[ . 1 . 2]" 1
131 1 7 LEU HG 1 38 PHE QD . . 3.940 4.665 3.283 5.378 1.438 13 17 "[ **** ***-**+ ******]" 1
132 1 8 ALA H 1 9 LYS H . . 4.930 4.604 4.491 4.709 . 0 0 "[ . 1 . 2]" 1
133 1 8 ALA H 1 9 LYS HA . . 5.780 5.703 5.366 5.906 0.126 20 0 "[ . 1 . 2]" 1
134 1 8 ALA H 1 10 ASN H . . 5.620 5.400 5.208 5.662 0.042 20 0 "[ . 1 . 2]" 1
135 1 8 ALA H 1 38 PHE H . . 4.600 4.225 3.843 4.507 . 0 0 "[ . 1 . 2]" 1
136 1 8 ALA HA 1 10 ASN QB . . 5.710 5.469 4.851 6.083 0.373 17 0 "[ . 1 . 2]" 1
137 1 8 ALA HA 1 39 ALA HA . . 4.620 4.088 3.713 4.386 . 0 0 "[ . 1 . 2]" 1
138 1 8 ALA HA 1 39 ALA MB . . 5.210 3.449 3.031 3.762 . 0 0 "[ . 1 . 2]" 1
139 1 8 ALA HA 1 40 PRO QD . . 4.970 4.278 3.686 4.765 . 0 0 "[ . 1 . 2]" 1
140 1 8 ALA HA 1 46 ASP HA . . 5.420 5.634 5.343 5.831 0.411 18 0 "[ . 1 . 2]" 1
141 1 8 ALA HA 1 46 ASP QB . . 3.710 3.117 2.821 3.305 . 0 0 "[ . 1 . 2]" 1
142 1 9 LYS H 1 10 ASN H . . 2.430 2.786 2.456 3.124 0.694 14 7 "[ * . * 1**-+. * 2]" 1
143 1 9 LYS H 1 10 ASN HA . . 4.860 5.079 4.829 5.286 0.426 17 0 "[ . 1 . 2]" 1
144 1 9 LYS H 1 10 ASN QB . . 4.460 4.738 4.102 5.269 0.809 14 4 "[ - . * +. * 2]" 1
145 1 9 LYS H 1 11 THR H . . 4.490 5.014 4.492 5.602 1.112 12 8 "[ *- . ** 1*+**. 2]" 1
146 1 10 ASN H 1 11 THR H . . 2.730 2.726 2.472 2.909 0.179 6 0 "[ . 1 . 2]" 1
147 1 10 ASN H 1 11 THR HA . . 5.410 5.312 5.079 5.492 0.082 6 0 "[ . 1 . 2]" 1
148 1 10 ASN H 1 12 ARG H . . 4.630 4.248 3.934 5.232 0.602 17 1 "[ . 1 . + 2]" 1
149 1 10 ASN H 1 46 ASP QB . . 5.430 3.956 3.688 4.339 . 0 0 "[ . 1 . 2]" 1
150 1 10 ASN HA 1 11 THR H . . 3.770 3.580 3.475 3.689 . 0 0 "[ . 1 . 2]" 1
151 1 10 ASN HA 1 11 THR HA . . 4.920 4.649 4.258 4.899 . 0 0 "[ . 1 . 2]" 1
152 1 10 ASN HA 1 13 LYS QG . . 4.890 4.010 2.441 6.985 2.095 4 4 "[ +- *1 .* 2]" 1
153 1 10 ASN HA 1 40 PRO QG . . 5.560 5.219 4.355 5.892 0.332 20 0 "[ . 1 . 2]" 1
154 1 10 ASN QB 1 45 LYS QB . . 3.880 4.037 3.646 4.634 0.754 16 1 "[ . 1 .+ 2]" 1
155 1 10 ASN QB 1 46 ASP H . . 3.810 4.054 3.754 4.406 0.596 9 2 "[ . +- . 2]" 1
156 1 10 ASN QB 1 46 ASP HA . . 5.640 5.591 4.784 6.108 0.468 9 0 "[ . 1 . 2]" 1
157 1 10 ASN QB 1 46 ASP QB . . 5.560 4.003 3.598 4.591 . 0 0 "[ . 1 . 2]" 1
158 1 11 THR H 1 12 ARG H . . 2.760 2.561 2.169 2.960 0.200 17 0 "[ . 1 . 2]" 1
159 1 11 THR H 1 12 ARG HA . . 5.330 5.188 4.805 5.392 0.062 12 0 "[ . 1 . 2]" 1
160 1 11 THR H 1 12 ARG QB . . 5.680 4.507 4.040 5.049 . 0 0 "[ . 1 . 2]" 1
161 1 11 THR HA 1 13 LYS H . . 5.430 5.136 4.422 5.690 0.260 13 0 "[ . 1 . 2]" 1
162 1 11 THR HA 1 40 PRO QB . . 5.310 4.672 4.072 5.335 0.025 3 0 "[ . 1 . 2]" 1
163 1 11 THR HA 1 40 PRO QG . . 5.770 5.436 4.447 6.109 0.339 8 0 "[ . 1 . 2]" 1
164 1 11 THR HB 1 12 ARG H . . 3.040 3.261 2.317 4.044 1.004 19 11 "[*** ** * **.* -+2]" 1
165 1 11 THR HB 1 12 ARG HA . . 4.230 4.361 4.054 4.655 0.425 17 0 "[ . 1 . 2]" 1
166 1 11 THR MG 1 12 ARG H . . 5.130 3.658 2.681 4.165 . 0 0 "[ . 1 . 2]" 1
167 1 11 THR MG 1 40 PRO HA . . 5.490 3.861 2.563 5.332 . 0 0 "[ . 1 . 2]" 1
168 1 11 THR MG 1 40 PRO QB . . 4.390 2.930 1.771 4.515 0.125 12 0 "[ . 1 . 2]" 1
169 1 12 ARG H 1 13 LYS H . . 2.760 2.357 1.983 3.319 0.559 17 1 "[ . 1 . + 2]" 1
170 1 12 ARG HA 1 13 LYS H . . 3.860 3.565 3.477 3.735 . 0 0 "[ . 1 . 2]" 1
171 1 12 ARG HA 1 13 LYS HA . . 5.650 5.289 4.934 5.433 . 0 0 "[ . 1 . 2]" 1
172 1 12 ARG QB 1 14 SER HA . . 4.910 5.322 4.904 6.037 1.127 20 6 "[ * *- **1 . +]" 1
173 1 12 ARG QB 1 16 ALA H . . 5.350 4.884 3.863 5.623 0.273 17 0 "[ . 1 . 2]" 1
174 1 13 LYS H 1 14 SER H . . 2.900 3.264 2.722 4.246 1.346 16 4 "[ **- 1 .+ 2]" 1
175 1 13 LYS H 1 16 ALA H . . 4.960 4.865 3.969 5.826 0.866 16 2 "[ - 1 .+ 2]" 1
176 1 13 LYS H 1 16 ALA MB . . 5.100 4.273 3.380 5.404 0.304 5 0 "[ . 1 . 2]" 1
177 1 13 LYS HA 1 14 SER H . . 3.200 2.923 2.472 3.527 0.327 6 0 "[ . 1 . 2]" 1
178 1 14 SER H 1 15 ASP H . . 2.930 2.857 2.149 3.517 0.587 12 1 "[ . 1 + . 2]" 1
179 1 14 SER H 1 15 ASP HA . . 5.180 4.878 4.399 5.580 0.400 12 0 "[ . 1 . 2]" 1
180 1 14 SER H 1 17 LYS H . . 5.750 5.827 4.565 6.633 0.883 12 4 "[ * .* 1 + -. 2]" 1
181 1 14 SER HA 1 15 ASP H . . 3.420 3.508 2.541 3.654 0.234 14 0 "[ . 1 . 2]" 1
182 1 14 SER HA 1 15 ASP HA . . 5.210 4.593 4.339 4.743 . 0 0 "[ . 1 . 2]" 1
183 1 15 ASP H 1 16 ALA H . . 2.640 2.318 1.854 2.777 0.137 17 0 "[ . 1 . 2]" 1
184 1 15 ASP H 1 16 ALA HA . . 5.260 3.828 3.326 5.400 0.140 12 0 "[ . 1 . 2]" 1
185 1 15 ASP HA 1 16 ALA H . . 3.170 3.150 2.783 3.393 0.223 13 0 "[ . 1 . 2]" 1
186 1 15 ASP HA 1 16 ALA HA . . 4.920 4.756 4.638 4.871 . 0 0 "[ . 1 . 2]" 1
187 1 16 ALA H 1 17 LYS H . . 2.640 2.655 2.249 3.579 0.939 3 1 "[ + . 1 . 2]" 1
188 1 16 ALA H 1 17 LYS HA . . 5.210 4.898 3.945 5.406 0.196 12 0 "[ . 1 . 2]" 1
189 1 16 ALA HA 1 19 VAL HB . . 4.840 4.150 3.021 5.595 0.755 9 2 "[ . +1 - . 2]" 1
190 1 17 LYS H 1 18 SER H . . 4.900 3.678 2.637 4.645 . 0 0 "[ . 1 . 2]" 1
191 1 17 LYS H 1 19 VAL H . . 5.160 4.604 3.952 5.196 0.036 9 0 "[ . 1 . 2]" 1
192 1 17 LYS HA 1 18 SER HA . . 4.860 4.434 3.809 4.896 0.036 14 0 "[ . 1 . 2]" 1
193 1 18 SER H 1 19 VAL H . . 2.880 2.594 1.996 3.017 0.137 17 0 "[ . 1 . 2]" 1
194 1 18 SER HA 1 19 VAL H . . 3.450 3.199 2.866 3.548 0.098 14 0 "[ . 1 . 2]" 1
195 1 18 SER HA 1 20 GLU QG . . 4.070 5.570 3.246 7.067 2.997 7 13 "[ ***.*+ **** ** *-2]" 1
196 1 18 SER HA 1 22 GLU H . . 5.310 5.000 4.121 5.302 . 0 0 "[ . 1 . 2]" 1
197 1 18 SER QB 1 19 VAL H . . 4.260 3.719 3.441 4.090 . 0 0 "[ . 1 . 2]" 1
198 1 18 SER QB 1 22 GLU QG . . 5.660 4.637 3.053 6.832 1.172 9 5 "[*- . +1* * . 2]" 1
199 1 19 VAL H 1 20 GLU QB . . 4.940 4.642 4.239 5.129 0.189 17 0 "[ . 1 . 2]" 1
200 1 19 VAL H 1 20 GLU QG . . 3.830 5.552 3.567 6.592 2.762 7 14 "[-***.*+ **** ** **2]" 1
201 1 19 VAL H 1 21 LEU H . . 4.280 4.337 3.970 4.506 0.226 6 0 "[ . 1 . 2]" 1
202 1 19 VAL H 1 22 GLU H . . 5.170 5.208 4.853 5.551 0.381 8 0 "[ . 1 . 2]" 1
203 1 19 VAL HA 1 20 GLU H . . 3.830 3.580 3.501 3.645 . 0 0 "[ . 1 . 2]" 1
204 1 19 VAL HA 1 20 GLU HA . . 5.140 4.766 4.669 4.903 . 0 0 "[ . 1 . 2]" 1
205 1 19 VAL HB 1 22 GLU H . . 5.730 5.908 5.076 6.327 0.597 8 2 "[- . + 1 . 2]" 1
206 1 19 VAL HB 1 23 ASP H . . 5.540 5.541 4.195 5.915 0.375 19 0 "[ . 1 . 2]" 1
207 1 19 VAL QG 1 20 GLU H . . 4.170 2.908 1.986 3.327 . 0 0 "[ . 1 . 2]" 1
208 1 19 VAL QG 1 20 GLU HA . . 4.130 3.177 2.949 3.549 . 0 0 "[ . 1 . 2]" 1
209 1 19 VAL QG 1 20 GLU QB . . 5.380 3.795 2.992 4.260 . 0 0 "[ . 1 . 2]" 1
210 1 20 GLU H 1 21 LEU H . . 3.070 2.769 2.535 2.977 . 0 0 "[ . 1 . 2]" 1
211 1 20 GLU H 1 21 LEU HA . . 5.660 5.307 5.147 5.545 . 0 0 "[ . 1 . 2]" 1
212 1 20 GLU H 1 22 GLU H . . 4.440 4.531 4.330 4.731 0.291 8 0 "[ . 1 . 2]" 1
213 1 20 GLU H 1 37 TYR QD . . 5.790 5.650 4.868 6.265 0.475 5 0 "[ . 1 . 2]" 1
214 1 20 GLU HA 1 21 LEU H . . 3.840 3.626 3.512 3.693 . 0 0 "[ . 1 . 2]" 1
215 1 20 GLU HA 1 21 LEU HA . . 5.110 4.721 4.634 4.843 . 0 0 "[ . 1 . 2]" 1
216 1 20 GLU HA 1 23 ASP QB . . 4.350 2.486 2.229 2.676 . 0 0 "[ . 1 . 2]" 1
217 1 20 GLU HA 1 24 LEU H . . 4.040 3.825 3.615 4.129 0.089 14 0 "[ . 1 . 2]" 1
218 1 20 GLU HA 1 24 LEU HA . . 5.500 5.636 5.430 5.996 0.496 14 0 "[ . 1 . 2]" 1
219 1 20 GLU QB 1 24 LEU QD . . 4.510 3.323 2.098 3.979 . 0 0 "[ . 1 . 2]" 1
220 1 21 LEU H 1 22 GLU H . . 2.980 2.747 2.490 2.956 . 0 0 "[ . 1 . 2]" 1
221 1 21 LEU H 1 22 GLU HA . . 5.600 5.376 5.151 5.571 . 0 0 "[ . 1 . 2]" 1
222 1 21 LEU H 1 23 ASP H . . 4.670 4.047 3.758 4.201 . 0 0 "[ . 1 . 2]" 1
223 1 21 LEU HA 1 22 GLU H . . 3.810 3.555 3.449 3.619 . 0 0 "[ . 1 . 2]" 1
224 1 21 LEU HA 1 22 GLU HA . . 4.990 4.809 4.640 4.973 . 0 0 "[ . 1 . 2]" 1
225 1 21 LEU HA 1 23 ASP H . . 5.250 4.493 4.305 4.617 . 0 0 "[ . 1 . 2]" 1
226 1 21 LEU HA 1 25 TYR H . . 5.170 4.597 4.302 4.888 . 0 0 "[ . 1 . 2]" 1
227 1 21 LEU QB 1 22 GLU H . . 3.180 2.420 2.275 2.623 . 0 0 "[ . 1 . 2]" 1
228 1 21 LEU QB 1 22 GLU HA . . 4.270 3.963 3.803 4.056 . 0 0 "[ . 1 . 2]" 1
229 1 21 LEU QB 1 22 GLU QG . . 5.390 3.883 2.950 5.293 . 0 0 "[ . 1 . 2]" 1
230 1 21 LEU QB 1 23 ASP H . . 5.610 4.649 4.487 4.789 . 0 0 "[ . 1 . 2]" 1
231 1 21 LEU QB 1 24 LEU H . . 5.790 4.920 4.750 5.053 . 0 0 "[ . 1 . 2]" 1
232 1 21 LEU QB 1 57 LYS QD . . 5.310 3.603 2.960 4.585 . 0 0 "[ . 1 . 2]" 1
233 1 21 LEU QD 1 22 GLU HA . . 5.350 5.176 5.053 5.273 . 0 0 "[ . 1 . 2]" 1
234 1 21 LEU QD 1 24 LEU QB . . 5.640 3.909 3.631 4.170 . 0 0 "[ . 1 . 2]" 1
235 1 21 LEU QD 1 53 PHE HA . . 4.860 3.916 3.135 4.524 . 0 0 "[ . 1 . 2]" 1
236 1 21 LEU QD 1 53 PHE QB . . 4.200 2.286 1.848 2.806 . 0 0 "[ . 1 . 2]" 1
237 1 21 LEU QD 1 53 PHE QD . . 5.320 3.141 2.052 3.547 . 0 0 "[ . 1 . 2]" 1
238 1 21 LEU HG 1 22 GLU H . . 5.310 4.299 4.149 4.474 . 0 0 "[ . 1 . 2]" 1
239 1 21 LEU HG 1 24 LEU QB . . 5.700 5.789 5.472 6.175 0.475 3 0 "[ . 1 . 2]" 1
240 1 21 LEU HG 1 53 PHE QB . . 4.510 4.221 3.427 4.915 0.405 14 0 "[ . 1 . 2]" 1
241 1 21 LEU HG 1 56 GLU QB . . 5.660 7.347 6.700 8.024 2.364 18 20 [*-***************+**] 1
242 1 21 LEU HG 1 57 LYS QB . . 5.350 6.486 5.704 7.371 2.021 14 19 [****.********+*****-] 1
243 1 21 LEU HG 1 57 LYS QD . . 3.250 5.057 4.247 6.295 3.045 18 20 [****-************+**] 1
244 1 21 LEU HG 1 57 LYS QG . . 5.130 6.213 4.520 7.341 2.211 14 16 "[****-*** 1***+*** *]" 1
245 1 22 GLU H 1 23 ASP H . . 2.810 2.739 2.495 2.993 0.183 1 0 "[ . 1 . 2]" 1
246 1 22 GLU H 1 23 ASP HA . . 5.440 5.338 5.169 5.467 0.027 2 0 "[ . 1 . 2]" 1
247 1 22 GLU HA 1 23 ASP H . . 3.860 3.576 3.471 3.696 . 0 0 "[ . 1 . 2]" 1
248 1 22 GLU HA 1 23 ASP HA . . 5.080 4.739 4.616 4.837 . 0 0 "[ . 1 . 2]" 1
249 1 22 GLU HA 1 26 HIS H . . 4.320 4.048 3.745 4.200 . 0 0 "[ . 1 . 2]" 1
250 1 22 GLU QB 1 23 ASP H . . 3.680 2.603 2.465 2.731 . 0 0 "[ . 1 . 2]" 1
251 1 22 GLU QB 1 23 ASP HA . . 4.560 3.947 3.746 4.238 . 0 0 "[ . 1 . 2]" 1
252 1 22 GLU QB 1 26 HIS QB . . 5.360 4.345 3.414 5.022 . 0 0 "[ . 1 . 2]" 1
253 1 23 ASP H 1 24 LEU H . . 2.940 2.588 2.462 2.679 . 0 0 "[ . 1 . 2]" 1
254 1 23 ASP H 1 24 LEU HA . . 5.490 5.185 5.091 5.275 . 0 0 "[ . 1 . 2]" 1
255 1 23 ASP H 1 24 LEU QD . . 5.750 4.416 3.418 4.976 . 0 0 "[ . 1 . 2]" 1
256 1 23 ASP H 1 26 HIS H . . 5.010 4.723 4.546 4.993 . 0 0 "[ . 1 . 2]" 1
257 1 23 ASP H 1 27 GLU H . . 5.400 5.458 5.341 5.706 0.306 14 0 "[ . 1 . 2]" 1
258 1 23 ASP HA 1 24 LEU H . . 3.760 3.554 3.441 3.602 . 0 0 "[ . 1 . 2]" 1
259 1 23 ASP HA 1 24 LEU HA . . 5.160 4.795 4.708 4.899 . 0 0 "[ . 1 . 2]" 1
260 1 23 ASP HA 1 25 TYR H . . 4.910 4.584 4.386 4.870 . 0 0 "[ . 1 . 2]" 1
261 1 23 ASP HA 1 27 GLU HA . . 5.070 5.090 4.794 5.315 0.245 13 0 "[ . 1 . 2]" 1
262 1 23 ASP HA 1 27 GLU QB . . 4.840 3.999 3.387 4.445 . 0 0 "[ . 1 . 2]" 1
263 1 23 ASP HA 1 28 PHE H . . 5.350 5.470 5.274 5.663 0.313 1 0 "[ . 1 . 2]" 1
264 1 23 ASP QB 1 24 LEU H . . 4.000 2.716 2.518 2.860 . 0 0 "[ . 1 . 2]" 1
265 1 23 ASP QB 1 24 LEU HA . . 4.580 3.854 3.659 4.033 . 0 0 "[ . 1 . 2]" 1
266 1 23 ASP QB 1 27 GLU QB . . 4.290 3.542 2.911 4.035 . 0 0 "[ . 1 . 2]" 1
267 1 23 ASP QB 1 35 ILE HB . . 5.530 5.524 4.935 5.967 0.437 16 0 "[ . 1 . 2]" 1
268 1 24 LEU H 1 25 TYR H . . 3.200 2.869 2.710 3.039 . 0 0 "[ . 1 . 2]" 1
269 1 24 LEU H 1 25 TYR HA . . 5.730 5.446 5.324 5.537 . 0 0 "[ . 1 . 2]" 1
270 1 24 LEU H 1 25 TYR QB . . 5.670 4.657 4.439 4.908 . 0 0 "[ . 1 . 2]" 1
271 1 24 LEU H 1 26 HIS H . . 4.170 4.128 3.873 4.305 0.135 4 0 "[ . 1 . 2]" 1
272 1 24 LEU H 1 27 GLU H . . 4.830 4.689 4.554 4.761 . 0 0 "[ . 1 . 2]" 1
273 1 24 LEU HA 1 25 TYR H . . 3.870 3.601 3.544 3.723 . 0 0 "[ . 1 . 2]" 1
274 1 24 LEU HA 1 25 TYR HA . . 4.940 4.773 4.614 4.872 . 0 0 "[ . 1 . 2]" 1
275 1 24 LEU HA 1 26 HIS H . . 5.020 4.631 4.294 4.946 . 0 0 "[ . 1 . 2]" 1
276 1 24 LEU HA 1 28 PHE H . . 4.560 4.016 3.720 4.199 . 0 0 "[ . 1 . 2]" 1
277 1 24 LEU HA 1 35 ILE MD . . 4.320 4.679 3.686 6.647 2.327 4 4 "[ -*+. 1 .* 2]" 1
278 1 24 LEU HA 1 54 PHE QE . . 5.680 6.523 5.604 7.953 2.273 2 15 "[ + *** ****-* ** ***]" 1
279 1 24 LEU HA 1 59 HIS QB . . 3.710 3.396 3.175 3.682 . 0 0 "[ . 1 . 2]" 1
280 1 24 LEU HA 1 80 HIS HE1 . . 2.290 3.676 2.572 5.491 3.201 17 18 "[****-****** *** +***]" 1
281 1 24 LEU QB 1 25 TYR H . . 2.860 2.358 2.098 2.586 . 0 0 "[ . 1 . 2]" 1
282 1 24 LEU QB 1 25 TYR HA . . 4.190 3.757 3.423 3.909 . 0 0 "[ . 1 . 2]" 1
283 1 24 LEU QB 1 59 HIS H . . 5.240 3.970 3.332 4.469 . 0 0 "[ . 1 . 2]" 1
284 1 24 LEU QB 1 60 THR H . . 5.460 4.418 3.626 5.792 0.332 1 0 "[ . 1 . 2]" 1
285 1 24 LEU QB 1 80 HIS HE1 . . 4.800 5.033 3.869 6.741 1.941 17 6 "[ * . * -1* * . + 2]" 1
286 1 24 LEU QD 1 35 ILE QG . . 5.430 4.378 3.566 5.447 0.017 11 0 "[ . 1 . 2]" 1
287 1 24 LEU QD 1 35 ILE MG . . 5.380 4.205 3.383 5.280 . 0 0 "[ . 1 . 2]" 1
288 1 24 LEU QD 1 59 HIS QB . . 4.030 2.479 1.704 3.006 . 0 0 "[ . 1 . 2]" 1
289 1 24 LEU QD 1 59 HIS HE1 . . 5.220 5.881 4.539 6.760 1.540 5 14 "[ ***+ ** ****** - *2]" 1
290 1 24 LEU QD 1 60 THR H . . 3.800 3.327 2.132 4.792 0.992 1 2 "[+ . -1 . 2]" 1
291 1 24 LEU QD 1 60 THR HB . . 3.870 3.015 1.909 4.724 0.854 1 1 "[+ . 1 . 2]" 1
292 1 24 LEU HG 1 25 TYR H . . 5.010 4.567 4.026 5.124 0.114 9 0 "[ . 1 . 2]" 1
293 1 24 LEU HG 1 25 TYR HA . . 5.800 6.340 5.599 6.575 0.775 12 15 "[ ***.**- * +***** **]" 1
294 1 24 LEU HG 1 35 ILE MD . . 5.340 4.516 3.602 6.334 0.994 4 3 "[ *+. 1 .- 2]" 1
295 1 24 LEU HG 1 80 HIS HE1 . . 3.390 3.845 1.828 5.972 2.582 17 10 "[ ***. ***1* * . + -2]" 1
296 1 25 TYR H 1 26 HIS H . . 2.650 2.675 2.508 2.836 0.186 11 0 "[ . 1 . 2]" 1
297 1 25 TYR H 1 26 HIS HA . . 5.300 5.255 5.108 5.380 0.080 8 0 "[ . 1 . 2]" 1
298 1 25 TYR H 1 27 GLU H . . 4.730 4.376 4.224 4.550 . 0 0 "[ . 1 . 2]" 1
299 1 25 TYR H 1 28 PHE H . . 4.970 4.888 4.670 5.156 0.186 14 0 "[ . 1 . 2]" 1
300 1 25 TYR H 1 59 HIS HE1 . . 5.040 5.428 3.747 6.629 1.589 20 11 "[ **-* * ** * **+]" 1
301 1 25 TYR HA 1 26 HIS H . . 3.810 3.587 3.451 3.661 . 0 0 "[ . 1 . 2]" 1
302 1 25 TYR HA 1 26 HIS HA . . 5.100 4.644 4.525 4.817 . 0 0 "[ . 1 . 2]" 1
303 1 25 TYR HA 1 27 GLU H . . 5.260 4.888 4.738 5.089 . 0 0 "[ . 1 . 2]" 1
304 1 25 TYR HA 1 29 SER H . . 4.300 4.345 4.167 4.937 0.637 9 1 "[ . +1 . 2]" 1
305 1 25 TYR HA 1 29 SER HG . . 5.590 5.761 5.219 6.415 0.825 17 3 "[ .* 1- . + 2]" 1
306 1 25 TYR HA 1 59 HIS HA . . 4.790 5.066 4.195 5.682 0.892 2 6 "[ + * - 1 **. * 2]" 1
307 1 25 TYR HA 1 59 HIS QB . . 3.560 3.453 2.644 4.097 0.537 14 1 "[ . 1 +. 2]" 1
308 1 25 TYR QB 1 26 HIS H . . 3.070 2.566 2.381 2.813 . 0 0 "[ . 1 . 2]" 1
309 1 25 TYR QD 1 28 PHE H . . 5.600 5.764 5.446 6.581 0.981 14 3 "[ * . 1 +. - 2]" 1
310 1 26 HIS H 1 27 GLU H . . 3.160 2.556 2.384 2.691 . 0 0 "[ . 1 . 2]" 1
311 1 26 HIS H 1 27 GLU HA . . 5.700 5.205 5.022 5.297 . 0 0 "[ . 1 . 2]" 1
312 1 26 HIS H 1 27 GLU QB . . 5.630 4.507 4.167 4.792 . 0 0 "[ . 1 . 2]" 1
313 1 26 HIS H 1 28 PHE H . . 4.260 3.988 3.675 4.135 . 0 0 "[ . 1 . 2]" 1
314 1 26 HIS H 1 28 PHE QB . . 5.000 4.704 4.098 5.406 0.406 6 0 "[ . 1 . 2]" 1
315 1 26 HIS H 1 29 SER H . . 4.850 4.814 4.627 4.974 0.124 12 0 "[ . 1 . 2]" 1
316 1 26 HIS HA 1 27 GLU H . . 3.870 3.534 3.462 3.610 . 0 0 "[ . 1 . 2]" 1
317 1 26 HIS HA 1 27 GLU HA . . 5.070 4.778 4.595 4.870 . 0 0 "[ . 1 . 2]" 1
318 1 26 HIS HA 1 28 PHE H . . 4.800 4.341 4.037 4.725 . 0 0 "[ . 1 . 2]" 1
319 1 26 HIS HA 1 29 SER HG . . 5.370 2.588 2.083 3.636 . 0 0 "[ . 1 . 2]" 1
320 1 26 HIS QB 1 27 GLU H . . 3.370 2.586 2.411 2.748 . 0 0 "[ . 1 . 2]" 1
321 1 26 HIS QB 1 27 GLU HA . . 4.400 3.943 3.715 4.294 . 0 0 "[ . 1 . 2]" 1
322 1 26 HIS QB 1 30 GLU QB . . 4.560 4.358 3.948 4.886 0.326 3 0 "[ . 1 . 2]" 1
323 1 27 GLU H 1 28 PHE H . . 3.020 2.605 2.442 2.726 . 0 0 "[ . 1 . 2]" 1
324 1 27 GLU H 1 28 PHE HA . . 5.620 5.210 5.066 5.334 . 0 0 "[ . 1 . 2]" 1
325 1 27 GLU H 1 30 GLU QG . . 5.400 5.566 5.043 7.099 1.699 19 4 "[ * . - 1 * +2]" 1
326 1 27 GLU HA 1 28 PHE H . . 3.830 3.542 3.438 3.661 . 0 0 "[ . 1 . 2]" 1
327 1 27 GLU HA 1 28 PHE HA . . 5.080 4.780 4.534 4.907 . 0 0 "[ . 1 . 2]" 1
328 1 27 GLU HA 1 29 SER H . . 4.460 4.587 4.189 4.778 0.318 13 0 "[ . 1 . 2]" 1
329 1 27 GLU HA 1 31 ASP H . . 3.940 3.567 3.235 3.844 . 0 0 "[ . 1 . 2]" 1
330 1 27 GLU QB 1 28 PHE H . . 2.960 2.570 2.442 2.744 . 0 0 "[ . 1 . 2]" 1
331 1 27 GLU QB 1 28 PHE HA . . 4.260 3.873 3.676 4.186 . 0 0 "[ . 1 . 2]" 1
332 1 28 PHE H 1 29 SER H . . 2.890 2.781 2.696 2.898 0.008 11 0 "[ . 1 . 2]" 1
333 1 28 PHE H 1 29 SER HA . . 5.530 5.382 5.288 5.478 . 0 0 "[ . 1 . 2]" 1
334 1 28 PHE H 1 30 GLU QG . . 5.230 5.943 5.425 7.296 2.066 19 9 "[ * **-* 1 ** +*]" 1
335 1 28 PHE H 1 31 ASP H . . 4.940 4.727 4.560 4.892 . 0 0 "[ . 1 . 2]" 1
336 1 28 PHE H 1 59 HIS QB . . 5.290 4.391 4.078 4.907 . 0 0 "[ . 1 . 2]" 1
337 1 28 PHE H 1 81 ILE MG . . 5.630 7.005 5.100 8.018 2.388 10 16 "[** *** **+**-*.** **]" 1
338 1 28 PHE HA 1 29 SER H . . 3.790 3.572 3.519 3.612 . 0 0 "[ . 1 . 2]" 1
339 1 28 PHE HA 1 29 SER HA . . 4.960 4.777 4.677 4.844 . 0 0 "[ . 1 . 2]" 1
340 1 28 PHE HA 1 30 GLU H . . 4.360 4.558 4.301 4.836 0.476 15 0 "[ . 1 . 2]" 1
341 1 28 PHE HA 1 32 LYS QB . . 5.430 5.332 4.570 6.176 0.746 1 1 "[+ . 1 . 2]" 1
342 1 28 PHE HA 1 33 ARG H . . 4.990 5.096 4.770 5.684 0.694 2 2 "[ + . - 1 . 2]" 1
343 1 28 PHE HA 1 80 HIS QB . . 3.820 3.417 3.206 3.944 0.124 2 0 "[ . 1 . 2]" 1
344 1 28 PHE HA 1 81 ILE MD . . 4.960 3.939 1.945 6.401 1.441 10 3 "[ - . +* . 2]" 1
345 1 28 PHE QB 1 29 SER H . . 3.260 2.500 2.088 3.419 0.159 6 0 "[ . 1 . 2]" 1
346 1 28 PHE QB 1 29 SER HA . . 5.060 4.271 3.934 4.798 . 0 0 "[ . 1 . 2]" 1
347 1 28 PHE QB 1 81 ILE MG . . 5.050 5.259 3.598 6.116 1.066 12 12 "[-* ** ****+ .** *2]" 1
348 1 28 PHE QD 1 32 LYS HA . . 5.170 5.678 5.141 6.288 1.118 2 8 "[*+ *** 1 . * *-]" 1
349 1 28 PHE QD 1 32 LYS QB . . 5.650 6.122 5.025 7.232 1.582 1 9 "[+* ** *1 *.* -*2]" 1
350 1 28 PHE QD 1 80 HIS QB . . 3.890 3.651 2.814 4.917 1.027 20 2 "[ .- 1 . +]" 1
351 1 28 PHE QD 1 81 ILE MD . . 5.060 3.214 1.593 4.089 . 0 0 "[ . 1 . 2]" 1
352 1 28 PHE QE 1 59 HIS HA . . 5.770 3.902 2.750 4.877 . 0 0 "[ . 1 . 2]" 1
353 1 28 PHE QE 1 81 ILE H . . 4.890 4.593 3.480 7.879 2.989 20 2 "[ .- 1 . +]" 1
354 1 28 PHE QE 1 81 ILE HA . . 4.250 4.667 3.293 7.850 3.600 20 7 "[ .* *- **. * +]" 1
355 1 29 SER H 1 30 GLU H . . 2.600 2.651 2.486 2.781 0.181 13 0 "[ . 1 . 2]" 1
356 1 29 SER H 1 30 GLU HA . . 5.250 5.279 5.141 5.383 0.133 15 0 "[ . 1 . 2]" 1
357 1 29 SER H 1 30 GLU QB . . 4.530 4.577 4.200 4.816 0.286 5 0 "[ . 1 . 2]" 1
358 1 29 SER H 1 30 GLU QG . . 4.990 4.685 4.114 6.425 1.435 19 4 "[ * . - 1 * +2]" 1
359 1 29 SER HA 1 31 ASP H . . 4.810 4.692 4.433 5.041 0.231 2 0 "[ . 1 . 2]" 1
360 1 29 SER QB 1 30 GLU H . . 4.260 3.342 2.509 3.485 . 0 0 "[ . 1 . 2]" 1
361 1 29 SER QB 1 30 GLU HA . . 4.760 4.227 3.769 4.485 . 0 0 "[ . 1 . 2]" 1
362 1 29 SER QB 1 30 GLU QB . . 5.370 4.776 3.947 5.039 . 0 0 "[ . 1 . 2]" 1
363 1 30 GLU H 1 31 ASP H . . 2.540 2.478 2.348 2.635 0.095 4 0 "[ . 1 . 2]" 1
364 1 30 GLU H 1 31 ASP HA . . 5.080 5.137 4.995 5.308 0.228 15 0 "[ . 1 . 2]" 1
365 1 30 GLU H 1 31 ASP QB . . 5.420 4.670 4.189 5.239 . 0 0 "[ . 1 . 2]" 1
366 1 30 GLU HA 1 31 ASP H . . 3.820 3.549 3.462 3.640 . 0 0 "[ . 1 . 2]" 1
367 1 30 GLU HA 1 31 ASP HA . . 4.930 4.635 4.526 4.753 . 0 0 "[ . 1 . 2]" 1
368 1 30 GLU HA 1 31 ASP QB . . 4.820 4.550 4.191 5.284 0.464 10 0 "[ . 1 . 2]" 1
369 1 30 GLU QB 1 31 ASP H . . 3.900 2.628 2.479 2.848 . 0 0 "[ . 1 . 2]" 1
370 1 30 GLU QB 1 31 ASP QB . . 5.400 3.058 2.593 3.659 . 0 0 "[ . 1 . 2]" 1
371 1 30 GLU QG 1 31 ASP H . . 2.260 4.047 3.510 4.246 1.986 18 20 [*******-*********+**] 1
372 1 31 ASP H 1 32 LYS H . . 4.650 4.502 4.403 4.604 . 0 0 "[ . 1 . 2]" 1
373 1 31 ASP H 1 32 LYS HA . . 4.910 4.658 4.421 5.028 0.118 1 0 "[ . 1 . 2]" 1
374 1 31 ASP H 1 81 ILE MG . . 5.520 6.521 5.163 8.046 2.526 10 16 "[** *** **+**-*.** **]" 1
375 1 31 ASP HA 1 32 LYS H . . 2.740 2.481 2.351 2.608 . 0 0 "[ . 1 . 2]" 1
376 1 31 ASP HA 1 32 LYS HA . . 4.670 4.461 4.292 4.577 . 0 0 "[ . 1 . 2]" 1
377 1 31 ASP HA 1 32 LYS QB . . 5.000 4.474 4.052 4.716 . 0 0 "[ . 1 . 2]" 1
378 1 31 ASP HA 1 32 LYS QG . . 5.010 3.744 3.292 4.163 . 0 0 "[ . 1 . 2]" 1
379 1 31 ASP HA 1 81 ILE MG . . 5.790 6.409 5.568 8.324 2.534 10 13 "[ * ** *-+** *.** **]" 1
380 1 31 ASP QB 1 32 LYS H . . 4.210 3.084 2.337 3.678 . 0 0 "[ . 1 . 2]" 1
381 1 32 LYS H 1 33 ARG H . . 4.790 4.646 4.471 4.813 0.023 19 0 "[ . 1 . 2]" 1
382 1 32 LYS H 1 81 ILE MG . . 5.210 5.227 4.577 7.009 1.799 10 1 "[ . + . 2]" 1
383 1 32 LYS HA 1 33 ARG H . . 2.470 2.379 2.191 2.566 0.096 1 0 "[ . 1 . 2]" 1
384 1 32 LYS HA 1 33 ARG HA . . 4.750 4.442 4.336 4.562 . 0 0 "[ . 1 . 2]" 1
385 1 32 LYS HA 1 33 ARG QB . . 5.430 3.500 3.096 3.904 . 0 0 "[ . 1 . 2]" 1
386 1 33 ARG H 1 34 SER H . . 4.620 4.433 4.299 4.598 . 0 0 "[ . 1 . 2]" 1
387 1 33 ARG H 1 34 SER HA . . 4.880 4.642 4.506 4.943 0.063 19 0 "[ . 1 . 2]" 1
388 1 33 ARG H 1 80 HIS H . . 4.190 3.559 3.260 3.859 . 0 0 "[ . 1 . 2]" 1
389 1 33 ARG H 1 81 ILE MG . . 3.090 4.203 3.037 5.463 2.373 10 16 "[** *** -*+****.** **]" 1
390 1 33 ARG H 1 82 ILE HA . . 5.150 4.622 3.650 5.439 0.289 4 0 "[ . 1 . 2]" 1
391 1 33 ARG HA 1 34 SER H . . 3.090 2.572 2.268 2.906 . 0 0 "[ . 1 . 2]" 1
392 1 33 ARG HA 1 34 SER HA . . 4.760 4.501 4.370 4.663 . 0 0 "[ . 1 . 2]" 1
393 1 33 ARG HA 1 80 HIS H . . 4.920 4.903 4.600 5.092 0.172 19 0 "[ . 1 . 2]" 1
394 1 33 ARG HA 1 81 ILE MG . . 5.450 6.345 5.404 7.534 2.084 10 16 "[** -** **+****.** **]" 1
395 1 33 ARG HA 1 82 ILE HA . . 5.010 5.846 4.808 6.876 1.866 4 15 "[***+***-** * * ***2]" 1
396 1 33 ARG QB 1 34 SER H . . 2.450 2.804 1.898 3.503 1.053 16 10 "[ ** . -**** .+ **2]" 1
397 1 33 ARG QB 1 34 SER HA . . 4.460 4.343 3.968 4.796 0.336 11 0 "[ . 1 . 2]" 1
398 1 33 ARG QD 1 34 SER H . . 4.740 3.896 2.780 4.871 0.131 7 0 "[ . 1 . 2]" 1
399 1 33 ARG QG 1 34 SER QB . . 5.170 4.526 3.747 5.780 0.610 20 1 "[ . 1 . +]" 1
400 1 34 SER H 1 35 ILE H . . 4.780 4.396 4.139 4.576 . 0 0 "[ . 1 . 2]" 1
401 1 34 SER H 1 79 LEU HA . . 4.870 4.948 4.640 5.268 0.398 19 0 "[ . 1 . 2]" 1
402 1 34 SER H 1 79 LEU QD . . 4.810 5.356 4.198 6.557 1.747 12 13 "[* ****-**1*+* * * 2]" 1
403 1 34 SER H 1 80 HIS H . . 4.570 4.580 4.262 4.715 0.145 9 0 "[ . 1 . 2]" 1
404 1 34 SER HA 1 35 ILE H . . 2.600 2.361 2.166 2.510 . 0 0 "[ . 1 . 2]" 1
405 1 34 SER HA 1 35 ILE HA . . 4.710 4.430 4.169 4.539 . 0 0 "[ . 1 . 2]" 1
406 1 34 SER HA 1 78 GLU QB . . 5.070 5.095 4.511 5.631 0.561 15 1 "[ . 1 + 2]" 1
407 1 34 SER HA 1 80 HIS QB . . 5.210 3.859 3.449 4.324 . 0 0 "[ . 1 . 2]" 1
408 1 34 SER QB 1 35 ILE H . . 4.450 2.596 2.328 3.523 . 0 0 "[ . 1 . 2]" 1
409 1 34 SER QB 1 36 PHE QE . . 5.060 5.519 5.054 6.822 1.762 9 8 "[ .* *+1-** . **]" 1
410 1 34 SER QB 1 79 LEU QD . . 2.390 2.571 1.435 3.755 1.365 12 8 "[* * *- *1*+ . * 2]" 1
411 1 34 SER QB 1 80 HIS H . . 4.190 3.379 2.888 4.110 . 0 0 "[ . 1 . 2]" 1
412 1 35 ILE H 1 36 PHE H . . 4.790 4.379 4.270 4.478 . 0 0 "[ . 1 . 2]" 1
413 1 35 ILE H 1 36 PHE HA . . 5.220 4.915 4.714 5.203 . 0 0 "[ . 1 . 2]" 1
414 1 35 ILE H 1 36 PHE QD . . 5.130 5.372 4.857 5.885 0.755 2 3 "[ + . *1 . -2]" 1
415 1 35 ILE H 1 36 PHE QE . . 5.500 6.098 5.305 7.565 2.065 9 11 "[ * .** +1 ****- **]" 1
416 1 35 ILE H 1 77 TYR HA . . 5.010 4.935 4.537 5.389 0.379 9 0 "[ . 1 . 2]" 1
417 1 35 ILE H 1 78 GLU H . . 3.320 3.304 2.925 3.590 0.270 3 0 "[ . 1 . 2]" 1
418 1 35 ILE H 1 78 GLU HA . . 4.870 4.900 4.798 5.054 0.184 9 0 "[ . 1 . 2]" 1
419 1 35 ILE H 1 79 LEU QD . . 5.740 3.777 2.908 5.174 . 0 0 "[ . 1 . 2]" 1
420 1 35 ILE H 1 80 HIS H . . 4.010 4.407 4.108 4.697 0.687 13 4 "[ . - 1* + . * 2]" 1
421 1 35 ILE HA 1 36 PHE H . . 2.600 2.236 2.048 2.356 . 0 0 "[ . 1 . 2]" 1
422 1 35 ILE HA 1 36 PHE HA . . 4.700 4.482 4.393 4.602 . 0 0 "[ . 1 . 2]" 1
423 1 35 ILE HA 1 36 PHE QD . . 4.840 3.847 3.291 4.557 . 0 0 "[ . 1 . 2]" 1
424 1 35 ILE HB 1 37 TYR HA . . 5.530 5.372 4.629 6.541 1.011 17 4 "[ * . 1* - + 2]" 1
425 1 35 ILE HB 1 78 GLU H . . 5.390 4.751 3.704 5.462 0.072 20 0 "[ . 1 . 2]" 1
426 1 35 ILE HB 1 78 GLU QB . . 5.620 3.879 2.136 4.879 . 0 0 "[ . 1 . 2]" 1
427 1 35 ILE MD 1 37 TYR QD . . 4.600 4.256 2.839 6.662 2.062 11 5 "[ * . 1+ * -* 2]" 1
428 1 35 ILE MD 1 54 PHE QE . . 3.040 4.727 3.192 7.648 4.608 2 18 "[ +**** ****-********]" 1
429 1 35 ILE QG 1 36 PHE H . . 4.260 3.706 2.340 4.493 0.233 16 0 "[ . 1 . 2]" 1
430 1 35 ILE QG 1 36 PHE HA . . 4.400 4.393 3.577 5.904 1.504 16 6 "[ * . -1* * *+ 2]" 1
431 1 35 ILE QG 1 76 LEU QB . . 5.740 6.005 4.602 8.312 2.572 9 6 "[ - . +1* * ** 2]" 1
432 1 35 ILE MG 1 36 PHE H . . 5.430 3.307 2.021 4.049 . 0 0 "[ . 1 . 2]" 1
433 1 35 ILE MG 1 78 GLU QB . . 5.210 3.763 1.625 4.655 . 0 0 "[ . 1 . 2]" 1
434 1 36 PHE H 1 37 TYR H . . 4.540 4.437 4.120 4.649 0.109 10 0 "[ . 1 . 2]" 1
435 1 36 PHE H 1 37 TYR HA . . 5.160 4.989 4.667 5.357 0.197 10 0 "[ . 1 . 2]" 1
436 1 36 PHE H 1 77 TYR HA . . 5.580 5.195 4.935 5.460 . 0 0 "[ . 1 . 2]" 1
437 1 36 PHE H 1 78 GLU H . . 5.230 4.948 4.796 5.098 . 0 0 "[ . 1 . 2]" 1
438 1 36 PHE HA 1 37 TYR H . . 2.440 2.207 2.070 2.327 . 0 0 "[ . 1 . 2]" 1
439 1 36 PHE HA 1 37 TYR HA . . 4.700 4.434 4.340 4.555 . 0 0 "[ . 1 . 2]" 1
440 1 36 PHE HA 1 37 TYR QB . . 5.050 4.078 3.884 4.458 . 0 0 "[ . 1 . 2]" 1
441 1 36 PHE HA 1 76 LEU QD . . 5.540 5.732 5.462 5.976 0.436 16 0 "[ . 1 . 2]" 1
442 1 36 PHE HA 1 77 TYR H . . 4.990 5.031 4.838 5.364 0.374 2 0 "[ . 1 . 2]" 1
443 1 36 PHE HA 1 77 TYR HA . . 3.260 2.730 2.445 3.072 . 0 0 "[ . 1 . 2]" 1
444 1 36 PHE HA 1 77 TYR QD . . 4.190 3.616 2.895 4.539 0.349 17 0 "[ . 1 . 2]" 1
445 1 36 PHE HA 1 78 GLU H . . 3.730 3.340 2.855 3.663 . 0 0 "[ . 1 . 2]" 1
446 1 36 PHE QB 1 37 TYR H . . 3.910 3.124 2.546 3.571 . 0 0 "[ . 1 . 2]" 1
447 1 36 PHE QB 1 37 TYR HA . . 5.370 4.254 4.061 4.530 . 0 0 "[ . 1 . 2]" 1
448 1 36 PHE QB 1 75 PHE QD . . 5.700 2.288 1.524 4.211 . 0 0 "[ . 1 . 2]" 1
449 1 36 PHE QB 1 77 TYR HA . . 4.770 4.432 3.091 5.023 0.253 2 0 "[ . 1 . 2]" 1
450 1 36 PHE QB 1 77 TYR QD . . 4.230 4.442 2.294 5.028 0.798 17 8 "[ -* . * *. +***]" 1
451 1 36 PHE QD 1 37 TYR H . . 4.560 3.965 3.497 4.797 0.237 1 0 "[ . 1 . 2]" 1
452 1 36 PHE QD 1 75 PHE QB . . 4.870 2.879 1.865 6.030 1.160 18 3 "[- . 1 *. + 2]" 1
453 1 36 PHE QD 1 76 LEU N . . 5.520 4.776 4.210 5.562 0.042 1 0 "[ . 1 . 2]" 1
454 1 36 PHE QD 1 77 TYR QD . . 3.270 3.414 2.478 4.323 1.053 2 4 "[ + . *- . * 2]" 1
455 1 36 PHE QD 1 78 GLU H . . 3.790 5.016 3.746 5.762 1.972 9 17 "[ **-****+**** *** **]" 1
456 1 37 TYR H 1 38 PHE H . . 4.640 4.274 3.964 4.484 . 0 0 "[ . 1 . 2]" 1
457 1 37 TYR H 1 38 PHE HA . . 5.420 4.979 4.632 5.634 0.214 1 0 "[ . 1 . 2]" 1
458 1 37 TYR H 1 76 LEU H . . 2.660 2.958 2.592 3.447 0.787 16 3 "[- . * 1 .+ 2]" 1
459 1 37 TYR H 1 76 LEU HA . . 4.550 4.586 4.373 4.842 0.292 7 0 "[ . 1 . 2]" 1
460 1 37 TYR H 1 78 GLU QG . . 5.320 6.590 5.096 7.288 1.968 9 19 "[ *******+**********-]" 1
461 1 37 TYR HA 1 38 PHE H . . 2.450 2.103 1.927 2.207 . 0 0 "[ . 1 . 2]" 1
462 1 37 TYR HA 1 38 PHE HA . . 4.700 4.441 4.228 4.565 . 0 0 "[ . 1 . 2]" 1
463 1 37 TYR HA 1 38 PHE QB . . 4.790 4.051 3.646 4.502 . 0 0 "[ . 1 . 2]" 1
464 1 37 TYR HA 1 76 LEU QB . . 4.970 4.581 4.301 5.100 0.130 9 0 "[ . 1 . 2]" 1
465 1 37 TYR QB 1 38 PHE H . . 4.590 3.756 3.131 3.921 . 0 0 "[ . 1 . 2]" 1
466 1 37 TYR QB 1 38 PHE HA . . 5.170 4.748 4.215 5.011 . 0 0 "[ . 1 . 2]" 1
467 1 37 TYR QB 1 76 LEU QD . . 5.020 2.776 2.175 3.417 . 0 0 "[ . 1 . 2]" 1
468 1 37 TYR QD 1 76 LEU QB . . 5.180 3.291 2.262 3.832 . 0 0 "[ . 1 . 2]" 1
469 1 38 PHE H 1 39 ALA H . . 4.580 4.097 3.884 4.322 . 0 0 "[ . 1 . 2]" 1
470 1 38 PHE H 1 39 ALA HA . . 5.500 5.072 4.381 5.318 . 0 0 "[ . 1 . 2]" 1
471 1 38 PHE H 1 39 ALA MB . . 5.430 4.189 3.215 4.514 . 0 0 "[ . 1 . 2]" 1
472 1 38 PHE H 1 75 PHE HA . . 4.680 4.774 4.464 5.302 0.622 18 2 "[ . 1 -. + 2]" 1
473 1 38 PHE HA 1 39 ALA H . . 2.460 2.176 1.986 2.359 . 0 0 "[ . 1 . 2]" 1
474 1 38 PHE HA 1 39 ALA HA . . 4.690 4.377 4.272 4.432 . 0 0 "[ . 1 . 2]" 1
475 1 38 PHE HA 1 75 PHE HA . . 2.830 2.882 2.592 3.126 0.296 18 0 "[ . 1 . 2]" 1
476 1 38 PHE HA 1 75 PHE QB . . 4.760 4.524 4.099 4.785 0.025 10 0 "[ . 1 . 2]" 1
477 1 38 PHE HA 1 75 PHE QD . . 2.550 3.664 2.149 4.950 2.400 1 18 "[+ **.****-**********]" 1
478 1 38 PHE HA 1 75 PHE QE . . 4.110 4.285 3.253 6.004 1.894 18 3 "[* . 1 -. + 2]" 1
479 1 38 PHE HA 1 76 LEU H . . 4.150 4.098 3.800 4.363 0.213 19 0 "[ . 1 . 2]" 1
480 1 38 PHE QB 1 39 ALA H . . 4.770 3.881 3.264 4.077 . 0 0 "[ . 1 . 2]" 1
481 1 38 PHE QB 1 39 ALA HA . . 5.270 4.554 4.134 4.785 . 0 0 "[ . 1 . 2]" 1
482 1 38 PHE QB 1 75 PHE QD . . 4.260 3.755 2.996 5.623 1.363 18 3 "[* . 1 -. + 2]" 1
483 1 38 PHE QD 1 39 ALA H . . 3.120 4.085 2.457 4.967 1.847 2 18 "[*+***** **** *****-*]" 1
484 1 38 PHE QD 1 75 PHE H . . 4.750 5.812 4.920 6.877 2.127 5 19 "[****+******-**** ***]" 1
485 1 38 PHE QD 1 75 PHE HA . . 4.140 4.659 3.959 5.206 1.066 19 11 "[ -*** ** * * ** +2]" 1
486 1 39 ALA H 1 40 PRO HA . . 5.540 4.482 4.121 4.826 . 0 0 "[ . 1 . 2]" 1
487 1 39 ALA H 1 40 PRO QD . . 5.330 4.655 4.524 4.891 . 0 0 "[ . 1 . 2]" 1
488 1 39 ALA H 1 74 ASP H . . 5.690 5.785 5.428 6.026 0.336 4 0 "[ . 1 . 2]" 1
489 1 39 ALA H 1 74 ASP HA . . 3.470 3.490 3.039 3.738 0.268 5 0 "[ . 1 . 2]" 1
490 1 39 ALA H 1 75 PHE HA . . 4.020 3.735 3.514 4.134 0.114 18 0 "[ . 1 . 2]" 1
491 1 39 ALA H 1 76 LEU H . . 4.950 4.331 3.908 4.725 . 0 0 "[ . 1 . 2]" 1
492 1 39 ALA HA 1 40 PRO HA . . 4.690 3.318 3.116 3.482 . 0 0 "[ . 1 . 2]" 1
493 1 39 ALA HA 1 40 PRO QB . . 5.170 4.147 3.846 4.551 . 0 0 "[ . 1 . 2]" 1
494 1 39 ALA HA 1 74 ASP HA . . 5.610 5.379 4.944 5.734 0.124 7 0 "[ . 1 . 2]" 1
495 1 39 ALA HA 1 74 ASP QB . . 5.560 5.188 3.658 6.518 0.958 2 2 "[ + . 1 . -2]" 1
496 1 39 ALA MB 1 40 PRO HA . . 5.790 4.317 4.222 4.416 . 0 0 "[ . 1 . 2]" 1
497 1 39 ALA MB 1 40 PRO QD . . 3.630 2.320 1.998 2.851 . 0 0 "[ . 1 . 2]" 1
498 1 39 ALA MB 1 40 PRO QG . . 5.100 3.974 3.386 4.297 . 0 0 "[ . 1 . 2]" 1
499 1 39 ALA MB 1 46 ASP H . . 4.090 3.941 3.550 4.526 0.436 19 0 "[ . 1 . 2]" 1
500 1 39 ALA MB 1 46 ASP HA . . 4.740 4.165 3.919 4.613 . 0 0 "[ . 1 . 2]" 1
501 1 39 ALA MB 1 46 ASP QB . . 2.550 2.130 1.625 2.634 0.084 19 0 "[ . 1 . 2]" 1
502 1 39 ALA MB 1 47 MET N . . 3.150 2.496 2.247 2.835 . 0 0 "[ . 1 . 2]" 1
503 1 41 THR H 1 42 ASN H . . 2.770 2.526 2.241 2.770 0.000 7 0 "[ . 1 . 2]" 1
504 1 41 THR H 1 42 ASN HA . . 5.420 5.143 4.924 5.379 . 0 0 "[ . 1 . 2]" 1
505 1 41 THR HA 1 43 ALA H . . 4.930 4.841 4.553 5.488 0.558 15 1 "[ . 1 + 2]" 1
506 1 41 THR HA 1 44 HIS H . . 4.420 4.389 4.170 4.691 0.271 1 0 "[ . 1 . 2]" 1
507 1 41 THR HA 1 44 HIS HA . . 4.590 4.793 4.370 5.116 0.526 8 1 "[ . + 1 . 2]" 1
508 1 41 THR HB 1 73 LYS HA . . 5.530 7.518 6.050 8.378 2.848 8 20 [*******+*******-****] 1
509 1 41 THR HB 1 73 LYS QB . . 3.920 5.278 4.268 6.094 2.174 11 19 "[**********+****- ***]" 1
510 1 41 THR HB 1 74 ASP QB . . 4.900 5.081 3.697 5.981 1.081 17 11 "[ *** *-1** ** + *]" 1
511 1 42 ASN H 1 43 ALA H . . 2.590 2.762 2.520 3.046 0.456 1 0 "[ . 1 . 2]" 1
512 1 42 ASN H 1 43 ALA HA . . 5.290 5.295 5.152 5.481 0.191 7 0 "[ . 1 . 2]" 1
513 1 42 ASN H 1 44 HIS H . . 4.210 4.013 3.575 4.400 0.190 13 0 "[ . 1 . 2]" 1
514 1 42 ASN HA 1 43 ALA H . . 3.820 3.623 3.507 3.759 . 0 0 "[ . 1 . 2]" 1
515 1 42 ASN HA 1 43 ALA HA . . 4.990 4.490 4.260 4.722 . 0 0 "[ . 1 . 2]" 1
516 1 42 ASN QB 1 43 ALA HA . . 4.830 4.055 3.751 4.608 . 0 0 "[ . 1 . 2]" 1
517 1 42 ASN QB 1 43 ALA MB . . 5.420 3.427 3.135 4.363 . 0 0 "[ . 1 . 2]" 1
518 1 43 ALA H 1 44 HIS H . . 2.820 2.162 1.842 2.862 0.042 15 0 "[ . 1 . 2]" 1
519 1 43 ALA H 1 44 HIS HA . . 5.020 4.342 4.057 5.060 0.040 15 0 "[ . 1 . 2]" 1
520 1 43 ALA HA 1 45 LYS H . . 4.390 4.463 3.841 4.959 0.569 18 1 "[ . 1 . + 2]" 1
521 1 43 ALA HA 1 45 LYS QD . . 4.000 5.504 4.532 5.954 1.954 9 20 [******-*+***********] 1
522 1 43 ALA MB 1 44 HIS H . . 2.880 2.859 2.290 3.288 0.408 13 0 "[ . 1 . 2]" 1
523 1 44 HIS H 1 45 LYS H . . 2.910 2.805 2.573 3.329 0.419 13 0 "[ . 1 . 2]" 1
524 1 44 HIS HA 1 45 LYS HA . . 5.030 4.593 4.420 4.813 . 0 0 "[ . 1 . 2]" 1
525 1 44 HIS HA 1 45 LYS QD . . 5.680 6.903 6.430 7.273 1.593 13 20 [************+**-****] 1
526 1 44 HIS HA 1 48 LEU H . . 4.110 4.266 3.960 4.450 0.340 13 0 "[ . 1 . 2]" 1
527 1 44 HIS HA 1 48 LEU QD . . 4.620 5.146 4.020 5.929 1.309 2 11 "[ +* -* **** *. * *]" 1
528 1 44 HIS QB 1 45 LYS H . . 4.400 3.799 3.228 4.013 . 0 0 "[ . 1 . 2]" 1
529 1 44 HIS QB 1 48 LEU QD . . 2.490 3.587 2.044 4.407 1.917 20 13 "[-** ** **** *. **+]" 1
530 1 44 HIS QB 1 48 LEU HG . . 4.810 4.951 2.054 6.918 2.108 20 11 "[ ** ** **** *. - +]" 1
531 1 45 LYS H 1 46 ASP H . . 2.990 2.420 2.113 2.921 . 0 0 "[ . 1 . 2]" 1
532 1 45 LYS H 1 46 ASP HA . . 5.570 5.042 4.696 5.451 . 0 0 "[ . 1 . 2]" 1
533 1 46 ASP H 1 47 MET H . . 2.810 2.676 2.527 2.933 0.123 16 0 "[ . 1 . 2]" 1
534 1 46 ASP H 1 47 MET HA . . 5.420 5.285 5.209 5.420 . 0 0 "[ . 1 . 2]" 1
535 1 46 ASP H 1 47 MET QB . . 5.660 4.413 4.089 5.162 . 0 0 "[ . 1 . 2]" 1
536 1 46 ASP HA 1 47 MET H . . 3.780 3.576 3.488 3.689 . 0 0 "[ . 1 . 2]" 1
537 1 46 ASP HA 1 47 MET HA . . 5.080 4.775 4.618 4.861 . 0 0 "[ . 1 . 2]" 1
538 1 46 ASP HA 1 53 PHE QE . . 5.640 5.035 4.585 5.676 0.036 19 0 "[ . 1 . 2]" 1
539 1 46 ASP QB 1 47 MET H . . 3.680 2.749 2.609 2.880 . 0 0 "[ . 1 . 2]" 1
540 1 46 ASP QB 1 47 MET HA . . 4.320 3.929 3.816 3.996 . 0 0 "[ . 1 . 2]" 1
541 1 46 ASP QB 1 49 LYS H . . 5.720 4.972 4.820 5.146 . 0 0 "[ . 1 . 2]" 1
542 1 46 ASP QB 1 50 ALA H . . 5.210 4.703 4.527 4.893 . 0 0 "[ . 1 . 2]" 1
543 1 47 MET H 1 48 LEU QD . . 5.660 5.358 4.709 5.803 0.143 9 0 "[ . 1 . 2]" 1
544 1 47 MET H 1 49 LYS H . . 4.400 4.199 4.074 4.318 . 0 0 "[ . 1 . 2]" 1
545 1 47 MET H 1 50 ALA MB . . 5.450 4.577 4.401 4.769 . 0 0 "[ . 1 . 2]" 1
546 1 47 MET HA 1 48 LEU H . . 3.850 3.588 3.521 3.641 . 0 0 "[ . 1 . 2]" 1
547 1 47 MET HA 1 48 LEU HA . . 5.120 4.815 4.735 4.901 . 0 0 "[ . 1 . 2]" 1
548 1 47 MET HA 1 51 VAL QG . . 4.670 4.505 4.281 4.693 0.023 1 0 "[ . 1 . 2]" 1
549 1 47 MET QB 1 48 LEU H . . 2.860 2.565 2.368 3.543 0.683 16 1 "[ . 1 .+ 2]" 1
550 1 47 MET QB 1 48 LEU HA . . 4.130 4.224 4.034 4.361 0.231 16 0 "[ . 1 . 2]" 1
551 1 47 MET QB 1 48 LEU HG . . 5.060 5.179 3.291 6.556 1.496 2 11 "[ +* ** ***- *. * *]" 1
552 1 47 MET QB 1 51 VAL H . . 5.680 5.585 5.036 5.761 0.081 7 0 "[ . 1 . 2]" 1
553 1 47 MET QB 1 51 VAL QG . . 5.020 4.725 4.000 4.947 . 0 0 "[ . 1 . 2]" 1
554 1 47 MET QG 1 48 LEU H . . 5.250 3.443 2.059 4.114 . 0 0 "[ . 1 . 2]" 1
555 1 47 MET QG 1 50 ALA MB . . 5.670 3.456 3.179 4.641 . 0 0 "[ . 1 . 2]" 1
556 1 47 MET QG 1 51 VAL QG . . 5.450 3.330 2.969 4.462 . 0 0 "[ . 1 . 2]" 1
557 1 48 LEU H 1 49 LYS H . . 3.050 2.686 2.564 2.777 . 0 0 "[ . 1 . 2]" 1
558 1 48 LEU H 1 49 LYS HA . . 5.660 5.334 5.259 5.425 . 0 0 "[ . 1 . 2]" 1
559 1 48 LEU H 1 49 LYS QG . . 5.110 4.429 4.290 4.643 . 0 0 "[ . 1 . 2]" 1
560 1 48 LEU H 1 50 ALA H . . 4.230 4.086 3.995 4.236 0.006 18 0 "[ . 1 . 2]" 1
561 1 48 LEU H 1 51 VAL H . . 5.540 5.117 4.945 5.221 . 0 0 "[ . 1 . 2]" 1
562 1 48 LEU H 1 51 VAL QG . . 5.730 4.793 4.616 4.918 . 0 0 "[ . 1 . 2]" 1
563 1 48 LEU HA 1 49 LYS H . . 3.830 3.554 3.444 3.607 . 0 0 "[ . 1 . 2]" 1
564 1 48 LEU HA 1 49 LYS HA . . 5.000 4.821 4.757 4.888 . 0 0 "[ . 1 . 2]" 1
565 1 48 LEU HA 1 50 ALA H . . 4.580 4.336 4.242 4.423 . 0 0 "[ . 1 . 2]" 1
566 1 48 LEU HA 1 50 ALA MB . . 5.510 4.691 4.511 4.817 . 0 0 "[ . 1 . 2]" 1
567 1 48 LEU HA 1 52 ASP QB . . 5.630 6.023 5.806 6.198 0.568 4 4 "[ +. **1 .- 2]" 1
568 1 48 LEU QB 1 49 LYS H . . 3.290 2.590 2.486 2.718 . 0 0 "[ . 1 . 2]" 1
569 1 48 LEU QB 1 49 LYS HA . . 4.220 4.136 3.911 4.362 0.142 10 0 "[ . 1 . 2]" 1
570 1 48 LEU QB 1 49 LYS QE . . 5.400 4.699 4.373 4.846 . 0 0 "[ . 1 . 2]" 1
571 1 48 LEU QB 1 49 LYS QG . . 3.850 3.311 3.163 3.472 . 0 0 "[ . 1 . 2]" 1
572 1 48 LEU QD 1 49 LYS H . . 5.620 4.007 3.840 4.191 . 0 0 "[ . 1 . 2]" 1
573 1 49 LYS H 1 50 ALA H . . 2.700 2.704 2.560 2.800 0.100 11 0 "[ . 1 . 2]" 1
574 1 49 LYS H 1 50 ALA HA . . 5.310 5.313 5.199 5.410 0.100 18 0 "[ . 1 . 2]" 1
575 1 49 LYS H 1 50 ALA MB . . 4.890 4.232 4.024 4.386 . 0 0 "[ . 1 . 2]" 1
576 1 49 LYS HA 1 51 VAL H . . 5.160 4.369 4.217 4.536 . 0 0 "[ . 1 . 2]" 1
577 1 49 LYS HA 1 52 ASP H . . 3.780 3.473 3.302 3.635 . 0 0 "[ . 1 . 2]" 1
578 1 49 LYS HA 1 52 ASP HA . . 5.590 5.566 5.368 5.974 0.384 4 0 "[ . 1 . 2]" 1
579 1 49 LYS HA 1 53 PHE QE . . 5.170 4.492 3.907 4.865 . 0 0 "[ . 1 . 2]" 1
580 1 49 LYS QB 1 50 ALA H . . 4.110 2.690 2.589 2.765 . 0 0 "[ . 1 . 2]" 1
581 1 49 LYS QB 1 50 ALA HA . . 4.720 3.943 3.846 4.030 . 0 0 "[ . 1 . 2]" 1
582 1 49 LYS QB 1 53 PHE QE . . 2.750 2.590 1.904 3.004 0.254 9 0 "[ . 1 . 2]" 1
583 1 49 LYS QG 1 50 ALA H . . 4.860 4.206 4.105 4.293 . 0 0 "[ . 1 . 2]" 1
584 1 49 LYS QG 1 52 ASP QB . . 5.670 4.320 3.988 5.032 . 0 0 "[ . 1 . 2]" 1
585 1 50 ALA H 1 51 VAL H . . 3.230 2.820 2.743 2.901 . 0 0 "[ . 1 . 2]" 1
586 1 50 ALA H 1 51 VAL HA . . 5.750 5.433 5.351 5.510 . 0 0 "[ . 1 . 2]" 1
587 1 50 ALA H 1 51 VAL HB . . 5.360 5.057 4.864 5.184 . 0 0 "[ . 1 . 2]" 1
588 1 50 ALA H 1 51 VAL QG . . 4.960 4.197 3.995 4.350 . 0 0 "[ . 1 . 2]" 1
589 1 50 ALA HA 1 52 ASP H . . 4.590 4.436 4.239 4.569 . 0 0 "[ . 1 . 2]" 1
590 1 50 ALA HA 1 52 ASP QB . . 5.630 5.013 4.708 5.274 . 0 0 "[ . 1 . 2]" 1
591 1 50 ALA HA 1 53 PHE QE . . 4.970 4.397 3.758 5.097 0.127 4 0 "[ . 1 . 2]" 1
592 1 50 ALA HA 1 54 PHE QE . . 5.130 4.356 3.717 8.803 3.673 2 1 "[ + . 1 . 2]" 1
593 1 50 ALA MB 1 51 VAL H . . 3.660 2.512 2.415 2.649 . 0 0 "[ . 1 . 2]" 1
594 1 50 ALA MB 1 51 VAL HA . . 4.730 3.737 3.566 3.946 . 0 0 "[ . 1 . 2]" 1
595 1 50 ALA MB 1 51 VAL QG . . 4.830 3.190 3.073 3.384 . 0 0 "[ . 1 . 2]" 1
596 1 50 ALA MB 1 54 PHE QE . . 5.640 2.889 2.198 7.391 1.751 2 1 "[ + . 1 . 2]" 1
597 1 50 ALA MB 1 76 LEU QB . . 5.270 4.084 3.800 4.371 . 0 0 "[ . 1 . 2]" 1
598 1 51 VAL H 1 52 ASP H . . 3.030 2.744 2.664 2.875 . 0 0 "[ . 1 . 2]" 1
599 1 51 VAL H 1 52 ASP HA . . 5.630 5.379 5.300 5.531 . 0 0 "[ . 1 . 2]" 1
600 1 51 VAL H 1 52 ASP QB . . 5.030 4.611 4.468 4.744 . 0 0 "[ . 1 . 2]" 1
601 1 51 VAL HA 1 52 ASP H . . 3.810 3.574 3.503 3.640 . 0 0 "[ . 1 . 2]" 1
602 1 51 VAL HA 1 52 ASP HA . . 5.030 4.813 4.738 4.916 . 0 0 "[ . 1 . 2]" 1
603 1 51 VAL HA 1 53 PHE H . . 4.430 4.631 4.507 4.785 0.355 17 0 "[ . 1 . 2]" 1
604 1 51 VAL HA 1 54 PHE H . . 3.890 3.784 3.603 3.992 0.102 14 0 "[ . 1 . 2]" 1
605 1 51 VAL HA 1 54 PHE QB . . 5.050 3.227 2.897 3.425 . 0 0 "[ . 1 . 2]" 1
606 1 51 VAL HA 1 76 LEU QD . . 5.560 3.831 3.381 4.240 . 0 0 "[ . 1 . 2]" 1
607 1 51 VAL HB 1 52 ASP H . . 3.070 2.518 2.387 2.636 . 0 0 "[ . 1 . 2]" 1
608 1 51 VAL HB 1 52 ASP HA . . 4.570 4.356 4.151 4.522 . 0 0 "[ . 1 . 2]" 1
609 1 51 VAL QG 1 52 ASP H . . 5.040 3.164 3.052 3.232 . 0 0 "[ . 1 . 2]" 1
610 1 51 VAL QG 1 54 PHE QD . . 4.000 3.779 3.467 4.390 0.390 2 0 "[ . 1 . 2]" 1
611 1 51 VAL QG 1 63 LEU QD . . 3.750 2.247 1.785 2.562 . 0 0 "[ . 1 . 2]" 1
612 1 52 ASP CG 1 56 GLU CD . . 5.000 6.219 5.674 6.647 1.647 11 20 [***-******+*********] 1
613 1 52 ASP H 1 53 PHE H . . 2.770 2.752 2.564 2.928 0.158 17 0 "[ . 1 . 2]" 1
614 1 52 ASP H 1 53 PHE HA . . 5.400 5.332 5.153 5.471 0.071 17 0 "[ . 1 . 2]" 1
615 1 52 ASP H 1 55 LYS H . . 5.260 5.196 4.970 5.460 0.200 11 0 "[ . 1 . 2]" 1
616 1 52 ASP H 1 55 LYS QB . . 5.750 5.374 5.068 5.775 0.025 11 0 "[ . 1 . 2]" 1
617 1 52 ASP HA 1 53 PHE H . . 3.770 3.593 3.545 3.673 . 0 0 "[ . 1 . 2]" 1
618 1 52 ASP HA 1 53 PHE HA . . 5.040 4.757 4.600 4.887 . 0 0 "[ . 1 . 2]" 1
619 1 52 ASP HA 1 55 LYS QD . . 4.730 3.016 2.683 3.434 . 0 0 "[ . 1 . 2]" 1
620 1 52 ASP HA 1 56 GLU H . . 4.690 4.297 3.983 4.486 . 0 0 "[ . 1 . 2]" 1
621 1 52 ASP QB 1 53 PHE H . . 3.340 2.622 2.453 2.706 . 0 0 "[ . 1 . 2]" 1
622 1 52 ASP QB 1 54 PHE H . . 5.720 4.608 4.379 4.764 . 0 0 "[ . 1 . 2]" 1
623 1 53 PHE H 1 54 PHE H . . 2.850 2.693 2.590 2.782 . 0 0 "[ . 1 . 2]" 1
624 1 53 PHE H 1 54 PHE HA . . 5.470 5.224 5.128 5.343 . 0 0 "[ . 1 . 2]" 1
625 1 53 PHE H 1 54 PHE QD . . 5.570 5.155 4.898 6.414 0.844 2 1 "[ + . 1 . 2]" 1
626 1 53 PHE H 1 55 LYS H . . 4.220 4.426 4.263 4.587 0.367 3 0 "[ . 1 . 2]" 1
627 1 53 PHE HA 1 54 PHE H . . 3.850 3.529 3.471 3.576 . 0 0 "[ . 1 . 2]" 1
628 1 53 PHE HA 1 56 GLU QG . . 5.350 3.219 2.752 3.594 . 0 0 "[ . 1 . 2]" 1
629 1 53 PHE HA 1 57 LYS H . . 4.740 4.324 4.029 4.550 . 0 0 "[ . 1 . 2]" 1
630 1 53 PHE HA 1 57 LYS QG . . 5.680 4.573 3.674 5.079 . 0 0 "[ . 1 . 2]" 1
631 1 53 PHE QB 1 57 LYS H . . 5.620 4.799 4.602 5.043 . 0 0 "[ . 1 . 2]" 1
632 1 53 PHE QD 1 54 PHE H . . 5.310 4.530 4.353 4.677 . 0 0 "[ . 1 . 2]" 1
633 1 54 PHE H 1 55 LYS H . . 2.980 2.423 2.030 2.735 . 0 0 "[ . 1 . 2]" 1
634 1 54 PHE H 1 55 LYS HA . . 5.600 5.124 4.765 5.395 . 0 0 "[ . 1 . 2]" 1
635 1 54 PHE H 1 55 LYS QB . . 5.170 4.187 3.758 4.685 . 0 0 "[ . 1 . 2]" 1
636 1 54 PHE H 1 56 GLU H . . 4.210 3.838 3.588 4.062 . 0 0 "[ . 1 . 2]" 1
637 1 54 PHE H 1 63 LEU QD . . 5.720 4.270 3.789 4.611 . 0 0 "[ . 1 . 2]" 1
638 1 54 PHE HA 1 55 LYS H . . 3.800 3.495 3.406 3.582 . 0 0 "[ . 1 . 2]" 1
639 1 54 PHE HA 1 55 LYS HA . . 4.970 4.836 4.739 4.910 . 0 0 "[ . 1 . 2]" 1
640 1 54 PHE HA 1 60 THR HB . . 5.440 5.093 4.204 5.846 0.406 19 0 "[ . 1 . 2]" 1
641 1 54 PHE QB 1 55 LYS H . . 4.090 2.491 2.310 2.616 . 0 0 "[ . 1 . 2]" 1
642 1 54 PHE QB 1 55 LYS HA . . 4.780 4.034 3.897 4.134 . 0 0 "[ . 1 . 2]" 1
643 1 54 PHE QB 1 63 LEU QD . . 5.230 2.587 1.947 2.973 . 0 0 "[ . 1 . 2]" 1
644 1 54 PHE QB 1 78 GLU QG . . 5.540 3.979 3.380 4.685 . 0 0 "[ . 1 . 2]" 1
645 1 54 PHE QD 1 55 LYS H . . 5.210 4.344 3.025 4.481 . 0 0 "[ . 1 . 2]" 1
646 1 54 PHE QD 1 76 LEU QD . . 4.120 3.714 3.133 5.529 1.409 2 1 "[ + . 1 . 2]" 1
647 1 54 PHE QD 1 76 LEU HG . . 4.850 6.862 6.274 9.026 4.176 2 20 [*+***-**************] 1
648 1 54 PHE QD 1 78 GLU QG . . 4.260 3.865 2.923 4.324 0.064 20 0 "[ . 1 . 2]" 1
649 1 54 PHE QE 1 63 LEU QB . . 5.600 4.278 2.855 5.011 . 0 0 "[ . 1 . 2]" 1
650 1 54 PHE QE 1 63 LEU QD . . 4.130 2.280 1.677 3.805 . 0 0 "[ . 1 . 2]" 1
651 1 55 LYS H 1 56 GLU H . . 2.620 2.744 2.552 2.948 0.328 14 0 "[ . 1 . 2]" 1
652 1 55 LYS H 1 56 GLU HA . . 5.250 5.322 5.135 5.498 0.248 14 0 "[ . 1 . 2]" 1
653 1 55 LYS H 1 56 GLU QB . . 4.890 4.689 4.465 4.853 . 0 0 "[ . 1 . 2]" 1
654 1 55 LYS H 1 57 LYS H . . 4.290 4.295 4.048 4.596 0.306 14 0 "[ . 1 . 2]" 1
655 1 55 LYS H 1 63 LEU QD . . 5.490 4.566 3.752 5.100 . 0 0 "[ . 1 . 2]" 1
656 1 55 LYS HA 1 56 GLU H . . 3.730 3.607 3.501 3.692 . 0 0 "[ . 1 . 2]" 1
657 1 55 LYS HA 1 56 GLU HA . . 5.030 4.806 4.682 4.901 . 0 0 "[ . 1 . 2]" 1
658 1 55 LYS HA 1 57 LYS H . . 4.210 4.278 3.984 4.582 0.372 18 0 "[ . 1 . 2]" 1
659 1 55 LYS HA 1 58 GLY HA2 . . 5.570 5.513 4.989 6.282 0.712 2 1 "[ + . 1 . 2]" 1
660 1 55 LYS QB 1 56 GLU H . . 3.390 2.567 2.445 2.730 . 0 0 "[ . 1 . 2]" 1
661 1 55 LYS QB 1 56 GLU HA . . 4.750 3.865 3.713 4.028 . 0 0 "[ . 1 . 2]" 1
662 1 55 LYS QB 1 56 GLU QB . . 5.620 4.420 4.278 4.556 . 0 0 "[ . 1 . 2]" 1
663 1 55 LYS QB 1 57 LYS H . . 5.440 4.669 4.406 4.793 . 0 0 "[ . 1 . 2]" 1
664 1 56 GLU H 1 57 LYS H . . 2.740 2.803 2.629 2.923 0.183 11 0 "[ . 1 . 2]" 1
665 1 56 GLU H 1 57 LYS HA . . 5.420 5.428 5.268 5.599 0.179 14 0 "[ . 1 . 2]" 1
666 1 56 GLU H 1 57 LYS HG3 . . 5.160 5.108 4.582 5.972 0.812 10 4 "[ . *+ . -*2]" 1
667 1 56 GLU HA 1 57 LYS H . . 3.750 3.558 3.401 3.658 . 0 0 "[ . 1 . 2]" 1
668 1 56 GLU HA 1 57 LYS HA . . 4.810 4.658 4.415 4.827 0.017 18 0 "[ . 1 . 2]" 1
669 1 56 GLU HA 1 57 LYS QE . . 4.630 6.293 5.913 6.700 2.070 4 20 [*-*+****************] 1
670 1 56 GLU HA 1 57 LYS QG . . 4.610 4.660 4.283 5.209 0.599 10 2 "[ . -+ . 2]" 1
671 1 56 GLU QB 1 57 LYS H . . 3.300 2.702 2.474 2.897 . 0 0 "[ . 1 . 2]" 1
672 1 56 GLU QB 1 57 LYS HA . . 5.110 4.092 3.674 4.321 . 0 0 "[ . 1 . 2]" 1
673 1 57 LYS H 1 58 GLY H . . 4.640 4.338 3.018 4.661 0.021 17 0 "[ . 1 . 2]" 1
674 1 57 LYS H 1 58 GLY HA2 . . 5.010 5.248 5.024 5.485 0.475 6 0 "[ . 1 . 2]" 1
675 1 57 LYS H 1 59 HIS H . . 5.470 5.146 4.709 5.664 0.194 5 0 "[ . 1 . 2]" 1
676 1 57 LYS HA 1 58 GLY H . . 2.510 2.449 2.126 3.691 1.181 10 3 "[ . *+ . - 2]" 1
677 1 57 LYS HA 1 58 GLY HA2 . . 4.660 4.436 4.139 5.401 0.741 9 3 "[ . +* . - 2]" 1
678 1 57 LYS QB 1 58 GLY H . . 3.320 2.750 2.550 3.023 . 0 0 "[ . 1 . 2]" 1
679 1 57 LYS QB 1 59 HIS H . . 4.830 2.965 2.311 3.522 . 0 0 "[ . 1 . 2]" 1
680 1 58 GLY H 1 59 HIS H . . 4.360 2.985 2.684 3.620 . 0 0 "[ . 1 . 2]" 1
681 1 58 GLY H 1 59 HIS HA . . 5.540 4.992 4.414 5.550 0.010 10 0 "[ . 1 . 2]" 1
682 1 58 GLY HA2 1 59 HIS HA . . 4.680 4.747 4.442 4.912 0.232 1 0 "[ . 1 . 2]" 1
683 1 58 GLY HA3 1 60 THR H . . 5.320 5.181 4.252 5.608 0.288 2 0 "[ . 1 . 2]" 1
684 1 59 HIS H 1 60 THR H . . 2.110 2.776 2.307 3.111 1.001 7 17 "[* ****+ -1**********]" 1
685 1 59 HIS H 1 60 THR HA . . 4.870 5.175 4.441 5.638 0.768 7 9 "[ **. + 1* **.-** 2]" 1
686 1 59 HIS HA 1 60 THR H . . 3.800 3.476 2.995 3.638 . 0 0 "[ . 1 . 2]" 1
687 1 60 THR H 1 61 ALA H . . 4.860 4.564 4.171 4.741 . 0 0 "[ . 1 . 2]" 1
688 1 60 THR H 1 61 ALA HA . . 5.550 5.173 3.922 5.812 0.262 15 0 "[ . 1 . 2]" 1
689 1 60 THR H 1 80 HIS HA . . 5.440 4.730 4.404 5.227 . 0 0 "[ . 1 . 2]" 1
690 1 60 THR HA 1 61 ALA H . . 2.530 2.456 2.126 3.314 0.784 12 3 "[ . *1 + . -]" 1
691 1 60 THR HA 1 61 ALA HA . . 4.640 4.482 4.356 4.778 0.138 20 0 "[ . 1 . 2]" 1
692 1 60 THR HA 1 81 ILE H . . 3.500 3.311 2.619 4.329 0.829 12 5 "[* . *1 + . *-]" 1
693 1 60 THR HA 1 81 ILE HA . . 5.710 5.419 4.574 6.491 0.781 12 5 "[* . *1 + . *-]" 1
694 1 60 THR HA 1 81 ILE MG . . 5.320 6.447 5.074 7.518 2.198 12 16 "[** *** **-*+**.** **]" 1
695 1 60 THR HB 1 61 ALA H . . 4.270 3.602 2.103 4.201 . 0 0 "[ . 1 . 2]" 1
696 1 60 THR HB 1 62 TYR H . . 5.050 4.292 3.081 4.976 . 0 0 "[ . 1 . 2]" 1
697 1 60 THR HB 1 80 HIS QB . . 5.470 4.969 4.320 5.586 0.116 1 0 "[ . 1 . 2]" 1
698 1 61 ALA H 1 62 TYR H . . 2.710 2.200 1.773 2.802 0.092 16 0 "[ . 1 . 2]" 1
699 1 61 ALA H 1 62 TYR HA . . 5.300 4.732 3.625 5.318 0.018 6 0 "[ . 1 . 2]" 1
700 1 61 ALA H 1 78 GLU QB . . 5.790 6.372 5.386 6.780 0.990 16 12 "[ * ***** ** - *+* 2]" 1
701 1 61 ALA H 1 81 ILE HA . . 4.570 4.447 3.303 6.106 1.536 12 5 "[- . *1 + . **]" 1
702 1 61 ALA H 1 82 ILE H . . 4.950 4.191 3.089 6.456 1.506 12 2 "[ . 1 + . -]" 1
703 1 61 ALA HA 1 62 TYR H . . 3.830 3.555 3.446 3.643 . 0 0 "[ . 1 . 2]" 1
704 1 61 ALA HA 1 62 TYR HA . . 4.850 4.617 4.467 4.734 . 0 0 "[ . 1 . 2]" 1
705 1 61 ALA HA 1 81 ILE HA . . 4.930 4.253 3.455 5.238 0.308 4 0 "[ . 1 . 2]" 1
706 1 61 ALA MB 1 79 LEU HB2 . . 3.770 3.285 2.769 4.193 0.423 17 0 "[ . 1 . 2]" 1
707 1 61 ALA MB 1 79 LEU QD . . 5.080 3.774 2.525 4.246 . 0 0 "[ . 1 . 2]" 1
708 1 62 TYR H 1 63 LEU H . . 4.690 4.410 4.165 4.523 . 0 0 "[ . 1 . 2]" 1
709 1 62 TYR H 1 63 LEU HA . . 5.070 4.818 4.652 4.990 . 0 0 "[ . 1 . 2]" 1
710 1 62 TYR H 1 80 HIS HA . . 4.220 4.152 3.960 4.349 0.129 17 0 "[ . 1 . 2]" 1
711 1 62 TYR H 1 81 ILE H . . 4.850 4.991 4.407 5.372 0.522 10 1 "[ . + . 2]" 1
712 1 62 TYR HA 1 63 LEU H . . 2.620 2.302 2.151 2.405 . 0 0 "[ . 1 . 2]" 1
713 1 62 TYR HA 1 63 LEU HA . . 4.760 4.478 4.363 4.605 . 0 0 "[ . 1 . 2]" 1
714 1 62 TYR HA 1 63 LEU QB . . 4.360 4.136 3.998 4.442 0.082 5 0 "[ . 1 . 2]" 1
715 1 62 TYR HA 1 63 LEU QD . . 5.270 5.136 3.216 5.401 0.131 15 0 "[ . 1 . 2]" 1
716 1 62 TYR QB 1 79 LEU H . . 3.770 3.586 3.247 3.900 0.130 12 0 "[ . 1 . 2]" 1
717 1 62 TYR QB 1 79 LEU QB . . 4.870 2.972 1.951 4.528 . 0 0 "[ . 1 . 2]" 1
718 1 62 TYR QB 1 79 LEU QD . . 4.620 2.669 1.708 3.526 . 0 0 "[ . 1 . 2]" 1
719 1 62 TYR QB 1 79 LEU HG . . 4.680 4.481 2.402 5.663 0.983 13 7 "[- * *** + * 2]" 1
720 1 62 TYR QD 1 63 LEU H . . 2.770 3.481 2.585 4.063 1.293 6 13 "[* **.+* *1** *- * **]" 1
721 1 62 TYR QE 1 63 LEU H . . 5.050 4.990 3.476 6.196 1.146 6 10 "[* * .+ *1** *. - **]" 1
722 1 62 TYR QE 1 63 LEU QD . . 5.710 6.361 4.323 7.824 2.114 11 10 "[- * .* *1+* *. * **]" 1
723 1 63 LEU H 1 64 ASP H . . 4.570 4.407 4.288 4.572 0.002 12 0 "[ . 1 . 2]" 1
724 1 63 LEU H 1 64 ASP HA . . 5.290 5.144 5.039 5.341 0.051 6 0 "[ . 1 . 2]" 1
725 1 63 LEU HA 1 76 LEU QD . . 4.240 5.112 4.784 5.768 1.528 9 20 [********+***-*******] 1
726 1 63 LEU HA 1 77 TYR QB . . 5.700 5.129 4.519 5.587 . 0 0 "[ . 1 . 2]" 1
727 1 63 LEU HA 1 78 GLU H . . 5.050 5.020 4.852 5.158 0.108 20 0 "[ . 1 . 2]" 1
728 1 63 LEU QB 1 64 ASP H . . 4.640 3.700 2.878 3.966 . 0 0 "[ . 1 . 2]" 1
729 1 63 LEU QB 1 76 LEU QD . . 4.680 4.361 3.340 4.935 0.255 9 0 "[ . 1 . 2]" 1
730 1 63 LEU QB 1 78 GLU QB . . 5.230 3.706 2.818 4.874 . 0 0 "[ . 1 . 2]" 1
731 1 63 LEU QB 1 78 GLU QG . . 4.410 2.689 1.935 4.484 0.074 11 0 "[ . 1 . 2]" 1
732 1 63 LEU QB 1 79 LEU H . . 5.340 4.508 4.099 4.884 . 0 0 "[ . 1 . 2]" 1
733 1 63 LEU QD 1 64 ASP H . . 5.450 2.334 1.886 4.101 . 0 0 "[ . 1 . 2]" 1
734 1 63 LEU QD 1 76 LEU QD . . 3.720 2.095 1.289 2.657 . 0 0 "[ . 1 . 2]" 1
735 1 63 LEU QD 1 76 LEU HG . . 4.900 4.206 3.721 5.326 0.426 5 0 "[ . 1 . 2]" 1
736 1 63 LEU HG 1 64 ASP H . . 4.090 2.989 2.361 3.974 . 0 0 "[ . 1 . 2]" 1
737 1 63 LEU HG 1 64 ASP HA . . 3.770 3.476 2.923 4.376 0.606 15 2 "[ . 1 + - 2]" 1
738 1 64 ASP H 1 65 GLU H . . 4.680 4.483 4.343 4.608 . 0 0 "[ . 1 . 2]" 1
739 1 64 ASP H 1 65 GLU HA . . 5.060 4.902 4.716 5.132 0.072 2 0 "[ . 1 . 2]" 1
740 1 64 ASP H 1 76 LEU HA . . 5.190 5.120 4.835 5.585 0.395 9 0 "[ . 1 . 2]" 1
741 1 64 ASP H 1 76 LEU QB . . 5.490 4.374 3.984 4.950 . 0 0 "[ . 1 . 2]" 1
742 1 64 ASP H 1 77 TYR HA . . 5.080 4.980 4.856 5.208 0.128 6 0 "[ . 1 . 2]" 1
743 1 64 ASP H 1 79 LEU H . . 4.750 5.010 4.564 5.297 0.547 14 1 "[ . 1 +. 2]" 1
744 1 64 ASP HA 1 65 GLU H . . 2.690 2.511 2.340 2.727 0.037 14 0 "[ . 1 . 2]" 1
745 1 64 ASP HA 1 65 GLU HA . . 4.620 4.418 4.229 4.582 . 0 0 "[ . 1 . 2]" 1
746 1 64 ASP HA 1 65 GLU QB . . 4.810 4.617 4.083 4.871 0.061 4 0 "[ . 1 . 2]" 1
747 1 64 ASP HA 1 76 LEU QD . . 4.120 4.328 3.625 5.216 1.096 9 3 "[ . * +1 . -]" 1
748 1 64 ASP HA 1 77 TYR H . . 5.420 4.894 4.699 5.077 . 0 0 "[ . 1 . 2]" 1
749 1 64 ASP QB 1 65 GLU H . . 3.580 3.180 2.535 3.680 0.100 6 0 "[ . 1 . 2]" 1
750 1 64 ASP QB 1 65 GLU HA . . 5.070 4.617 4.125 4.983 . 0 0 "[ . 1 . 2]" 1
751 1 64 ASP QB 1 77 TYR QB . . 4.030 3.175 2.163 4.002 . 0 0 "[ . 1 . 2]" 1
752 1 64 ASP QB 1 77 TYR QD . . 5.660 3.663 2.358 4.767 . 0 0 "[ . 1 . 2]" 1
753 1 65 GLU H 1 66 VAL H . . 4.910 4.754 4.591 4.838 . 0 0 "[ . 1 . 2]" 1
754 1 65 GLU H 1 76 LEU QD . . 5.140 4.000 3.440 4.420 . 0 0 "[ . 1 . 2]" 1
755 1 65 GLU H 1 77 TYR H . . 4.870 4.623 4.458 4.803 . 0 0 "[ . 1 . 2]" 1
756 1 65 GLU HA 1 66 VAL H . . 2.670 2.433 2.243 2.642 . 0 0 "[ . 1 . 2]" 1
757 1 65 GLU HA 1 76 LEU H . . 5.410 5.158 4.911 5.509 0.099 20 0 "[ . 1 . 2]" 1
758 1 65 GLU HA 1 76 LEU HA . . 2.570 2.358 2.121 2.686 0.116 20 0 "[ . 1 . 2]" 1
759 1 65 GLU HA 1 77 TYR H . . 3.160 3.011 2.760 3.409 0.249 20 0 "[ . 1 . 2]" 1
760 1 65 GLU HA 1 77 TYR QD . . 5.230 6.325 5.902 6.700 1.470 13 20 [************+****-**] 1
761 1 65 GLU QB 1 66 VAL H . . 4.120 2.814 2.495 3.645 . 0 0 "[ . 1 . 2]" 1
762 1 65 GLU QB 1 66 VAL MG1 . . 5.560 4.778 4.278 5.897 0.337 3 0 "[ . 1 . 2]" 1
763 1 65 GLU QB 1 69 SER HA . . 5.800 5.155 4.535 6.876 1.076 3 1 "[ + . 1 . 2]" 1
764 1 65 GLU QB 1 69 SER QB . . 3.910 2.815 2.268 4.581 0.671 3 1 "[ + . 1 . 2]" 1
765 1 65 GLU QB 1 76 LEU QD . . 3.850 3.411 2.864 3.833 . 0 0 "[ . 1 . 2]" 1
766 1 66 VAL H 1 67 ARG H . . 4.930 4.643 4.455 4.861 . 0 0 "[ . 1 . 2]" 1
767 1 66 VAL H 1 68 VAL H . . 5.460 5.095 4.659 5.672 0.212 4 0 "[ . 1 . 2]" 1
768 1 66 VAL H 1 68 VAL MG2 . . 5.580 4.842 4.458 5.413 . 0 0 "[ . 1 . 2]" 1
769 1 66 VAL H 1 76 LEU H . . 5.260 4.710 4.461 4.864 . 0 0 "[ . 1 . 2]" 1
770 1 66 VAL HA 1 68 VAL MG2 . . 5.400 4.694 4.427 5.073 . 0 0 "[ . 1 . 2]" 1
771 1 66 VAL HA 1 69 SER H . . 5.260 4.994 4.489 5.761 0.501 20 1 "[ . 1 . +]" 1
772 1 66 VAL HA 1 76 LEU HA . . 4.960 5.290 4.975 5.568 0.608 1 2 "[+ . 1 . -2]" 1
773 1 66 VAL HA 1 77 TYR H . . 3.900 4.849 4.496 5.668 1.768 9 20 [********+***-*******] 1
774 1 66 VAL HA 1 77 TYR HA . . 5.430 6.063 5.782 6.334 0.904 16 17 "[*** ***********+*- 2]" 1
775 1 66 VAL QG 1 69 SER HA . . 3.980 4.348 2.905 5.196 1.216 18 13 "[* * *** -** *.**+ *]" 1
776 1 66 VAL QG 1 69 SER QB . . 4.650 3.743 2.322 4.603 . 0 0 "[ . 1 . 2]" 1
777 1 66 VAL QG 1 72 GLU H . . 5.590 5.739 4.496 6.808 1.218 18 5 "[* * 1 -. *+ 2]" 1
778 1 66 VAL QG 1 72 GLU QB . . 5.120 5.157 3.545 7.113 1.993 17 3 "[ . 1 . +* -]" 1
779 1 67 ARG H 1 68 VAL H . . 3.150 3.257 2.436 3.779 0.629 12 2 "[ . - 1 + . 2]" 1
780 1 67 ARG H 1 68 VAL HA . . 5.740 5.529 5.070 5.809 0.069 7 0 "[ . 1 . 2]" 1
781 1 67 ARG H 1 68 VAL HB . . 5.590 6.894 6.197 7.384 1.794 12 20 [*-*********+********] 1
782 1 67 ARG H 1 68 VAL MG2 . . 4.810 4.592 3.878 5.139 0.329 12 0 "[ . 1 . 2]" 1
783 1 68 VAL H 1 69 SER H . . 3.250 2.519 2.178 2.801 . 0 0 "[ . 1 . 2]" 1
784 1 68 VAL H 1 69 SER HA . . 5.010 4.653 4.297 5.336 0.326 4 0 "[ . 1 . 2]" 1
785 1 68 VAL HA 1 71 ASP H . . 3.830 3.334 2.584 3.664 . 0 0 "[ . 1 . 2]" 1
786 1 68 VAL HA 1 71 ASP QB . . 4.350 3.060 2.750 3.490 . 0 0 "[ . 1 . 2]" 1
787 1 68 VAL HA 1 72 GLU H . . 4.540 4.372 4.040 4.694 0.154 9 0 "[ . 1 . 2]" 1
788 1 68 VAL HA 1 73 LYS H . . 5.370 5.486 4.915 6.162 0.792 18 1 "[ . 1 . + 2]" 1
789 1 68 VAL HB 1 69 SER H . . 4.870 4.429 4.278 4.532 . 0 0 "[ . 1 . 2]" 1
790 1 68 VAL HB 1 71 ASP H . . 5.750 4.402 3.859 4.837 . 0 0 "[ . 1 . 2]" 1
791 1 68 VAL QG 1 73 LYS H . . 3.870 4.040 3.029 5.235 1.365 18 7 "[ *. * 1 * ** -+ 2]" 1
792 1 68 VAL QG 1 73 LYS HA . . 5.490 4.813 4.365 5.356 . 0 0 "[ . 1 . 2]" 1
793 1 68 VAL QG 1 74 ASP H . . 4.760 3.904 3.375 4.723 . 0 0 "[ . 1 . 2]" 1
794 1 69 SER H 1 70 THR H . . 3.070 2.688 2.123 3.347 0.277 8 0 "[ . 1 . 2]" 1
795 1 69 SER H 1 70 THR HA . . 5.630 5.234 4.701 5.620 . 0 0 "[ . 1 . 2]" 1
796 1 69 SER H 1 73 LYS H . . 4.480 4.573 4.137 5.330 0.850 18 1 "[ . 1 . + 2]" 1
797 1 69 SER H 1 73 LYS HA . . 4.900 4.897 4.400 5.324 0.424 17 0 "[ . 1 . 2]" 1
798 1 69 SER HA 1 70 THR H . . 3.870 3.561 3.100 3.728 . 0 0 "[ . 1 . 2]" 1
799 1 69 SER HA 1 70 THR HA . . 5.090 4.688 4.009 4.877 . 0 0 "[ . 1 . 2]" 1
800 1 69 SER HA 1 71 ASP H . . 3.910 4.292 3.434 4.649 0.739 15 8 "[** . - * * *+ * 2]" 1
801 1 69 SER HA 1 74 ASP H . . 3.720 3.491 2.465 4.407 0.687 16 1 "[ . 1 .+ 2]" 1
802 1 69 SER HA 1 75 PHE H . . 4.890 4.068 3.295 4.559 . 0 0 "[ . 1 . 2]" 1
803 1 69 SER QB 1 70 THR H . . 4.030 3.366 2.586 3.931 . 0 0 "[ . 1 . 2]" 1
804 1 69 SER QB 1 71 ASP H . . 5.500 5.029 4.713 5.294 . 0 0 "[ . 1 . 2]" 1
805 1 69 SER QB 1 76 LEU QD . . 5.610 4.710 3.812 5.664 0.054 10 0 "[ . 1 . 2]" 1
806 1 70 THR H 1 71 ASP H . . 3.030 2.599 2.060 2.837 . 0 0 "[ . 1 . 2]" 1
807 1 70 THR H 1 71 ASP HA . . 5.600 5.256 4.767 5.440 . 0 0 "[ . 1 . 2]" 1
808 1 70 THR H 1 73 LYS HA . . 5.310 5.291 4.924 5.632 0.322 13 0 "[ . 1 . 2]" 1
809 1 70 THR HA 1 71 ASP H . . 3.650 3.526 3.394 3.611 . 0 0 "[ . 1 . 2]" 1
810 1 70 THR HA 1 71 ASP HA . . 4.870 4.780 4.607 4.899 0.029 12 0 "[ . 1 . 2]" 1
811 1 70 THR HA 1 72 GLU H . . 5.080 4.737 4.481 5.091 0.011 11 0 "[ . 1 . 2]" 1
812 1 70 THR HA 1 73 LYS H . . 5.360 4.874 4.245 5.738 0.378 7 0 "[ . 1 . 2]" 1
813 1 70 THR HA 1 73 LYS QB . . 5.420 5.031 4.042 6.114 0.694 15 1 "[ . 1 + 2]" 1
814 1 70 THR HA 1 73 LYS QD . . 5.320 4.865 3.698 6.276 0.956 13 1 "[ . 1 + . 2]" 1
815 1 70 THR HB 1 71 ASP H . . 4.560 3.210 2.398 3.853 . 0 0 "[ . 1 . 2]" 1
816 1 70 THR HB 1 71 ASP HA . . 5.080 4.494 4.012 4.800 . 0 0 "[ . 1 . 2]" 1
817 1 71 ASP H 1 72 GLU H . . 2.450 2.740 2.491 2.908 0.458 2 0 "[ . 1 . 2]" 1
818 1 71 ASP H 1 72 GLU HA . . 5.090 5.331 5.214 5.439 0.349 11 0 "[ . 1 . 2]" 1
819 1 71 ASP H 1 73 LYS H . . 3.660 4.140 3.634 4.509 0.849 16 10 "[** . * ** ** *+ - 2]" 1
820 1 71 ASP H 1 73 LYS HA . . 5.290 5.802 5.289 6.201 0.911 13 11 "[** *. * -1**+ *** 2]" 1
821 1 71 ASP HA 1 72 GLU H . . 3.840 3.601 3.502 3.714 . 0 0 "[ . 1 . 2]" 1
822 1 71 ASP HA 1 72 GLU HA . . 4.840 4.536 4.434 4.649 . 0 0 "[ . 1 . 2]" 1
823 1 71 ASP HA 1 72 GLU QG . . 5.340 4.402 3.902 6.199 0.859 16 1 "[ . 1 .+ 2]" 1
824 1 71 ASP HA 1 73 LYS H . . 5.600 5.213 4.818 5.685 0.085 16 0 "[ . 1 . 2]" 1
825 1 71 ASP QB 1 72 GLU H . . 3.190 2.683 2.581 2.802 . 0 0 "[ . 1 . 2]" 1
826 1 72 GLU H 1 73 LYS H . . 2.260 1.980 1.707 2.255 . 0 0 "[ . 1 . 2]" 1
827 1 72 GLU H 1 73 LYS HA . . 4.470 4.101 3.819 4.360 . 0 0 "[ . 1 . 2]" 1
828 1 72 GLU H 1 73 LYS QB . . 4.930 4.302 3.402 4.873 . 0 0 "[ . 1 . 2]" 1
829 1 72 GLU H 1 74 ASP H . . 5.150 4.469 4.075 5.013 . 0 0 "[ . 1 . 2]" 1
830 1 72 GLU HA 1 73 LYS H . . 3.840 3.472 3.254 3.681 . 0 0 "[ . 1 . 2]" 1
831 1 72 GLU HA 1 73 LYS HA . . 5.640 5.279 4.876 5.466 . 0 0 "[ . 1 . 2]" 1
832 1 72 GLU HA 1 73 LYS QB . . 4.730 4.205 3.479 4.665 . 0 0 "[ . 1 . 2]" 1
833 1 72 GLU HA 1 74 ASP H . . 5.630 4.865 4.150 5.561 . 0 0 "[ . 1 . 2]" 1
834 1 72 GLU QB 1 73 LYS QB . . 5.430 4.439 4.215 4.717 . 0 0 "[ . 1 . 2]" 1
835 1 72 GLU QB 1 74 ASP H . . 3.810 3.110 2.305 5.093 1.283 17 1 "[ . 1 . + 2]" 1
836 1 72 GLU QB 1 74 ASP HA . . 5.390 5.095 4.399 6.091 0.701 7 3 "[ . + 1 . *- 2]" 1
837 1 73 LYS H 1 74 ASP H . . 3.380 3.098 2.670 4.292 0.912 18 1 "[ . 1 . + 2]" 1
838 1 73 LYS H 1 74 ASP HA . . 5.750 5.515 5.341 5.955 0.205 18 0 "[ . 1 . 2]" 1
839 1 73 LYS HA 1 75 PHE H . . 4.260 3.798 2.629 4.803 0.543 17 1 "[ . 1 . + 2]" 1
840 1 73 LYS QB 1 74 ASP H . . 4.750 3.927 3.635 4.114 . 0 0 "[ . 1 . 2]" 1
841 1 73 LYS QB 1 74 ASP HA . . 5.230 4.370 4.114 4.827 . 0 0 "[ . 1 . 2]" 1
842 1 74 ASP H 1 75 PHE H . . 2.150 2.377 1.833 3.223 1.073 1 4 "[+ -. 1 *.* 2]" 1
843 1 74 ASP H 1 75 PHE HA . . 4.870 4.832 4.180 5.322 0.452 16 0 "[ . 1 . 2]" 1
844 1 74 ASP HA 1 75 PHE H . . 3.820 3.492 3.212 3.666 . 0 0 "[ . 1 . 2]" 1
845 1 74 ASP HA 1 75 PHE HA . . 4.910 4.535 4.404 4.712 . 0 0 "[ . 1 . 2]" 1
846 1 75 PHE H 1 76 LEU H . . 4.750 4.257 3.802 4.490 . 0 0 "[ . 1 . 2]" 1
847 1 75 PHE H 1 76 LEU HA . . 5.420 5.168 4.229 5.478 0.058 10 0 "[ . 1 . 2]" 1
848 1 75 PHE H 1 76 LEU QD . . 5.760 4.856 3.538 5.452 . 0 0 "[ . 1 . 2]" 1
849 1 75 PHE HA 1 76 LEU H . . 2.450 2.128 2.022 2.257 . 0 0 "[ . 1 . 2]" 1
850 1 75 PHE HA 1 76 LEU HA . . 4.690 4.441 4.397 4.518 . 0 0 "[ . 1 . 2]" 1
851 1 75 PHE HA 1 76 LEU QB . . 5.310 4.305 4.119 4.489 . 0 0 "[ . 1 . 2]" 1
852 1 75 PHE QB 1 76 LEU H . . 3.650 3.494 3.141 3.969 0.319 1 0 "[ . 1 . 2]" 1
853 1 75 PHE QB 1 76 LEU HA . . 5.200 4.275 4.053 4.753 . 0 0 "[ . 1 . 2]" 1
854 1 75 PHE QB 1 77 TYR H . . 5.530 5.121 4.595 6.150 0.620 14 2 "[ . 1 +. - 2]" 1
855 1 75 PHE QB 1 77 TYR QD . . 3.950 5.488 4.391 7.056 3.106 1 19 "[+******* *********-*]" 1
856 1 75 PHE QD 1 77 TYR QD . . 5.770 5.960 5.205 7.370 1.600 2 3 "[ + * 1 . - 2]" 1
857 1 76 LEU H 1 77 TYR H . . 4.550 4.560 4.378 4.639 0.089 8 0 "[ . 1 . 2]" 1
858 1 76 LEU H 1 77 TYR HA . . 5.250 5.182 4.814 5.632 0.382 10 0 "[ . 1 . 2]" 1
859 1 76 LEU HA 1 77 TYR H . . 2.450 2.230 2.098 2.481 0.031 9 0 "[ . 1 . 2]" 1
860 1 76 LEU HA 1 77 TYR HA . . 4.710 4.423 4.216 4.593 . 0 0 "[ . 1 . 2]" 1
861 1 76 LEU HA 1 77 TYR QD . . 4.220 5.841 5.401 6.156 1.936 3 20 [**+*****-***********] 1
862 1 76 LEU QB 1 77 TYR H . . 4.400 2.933 2.580 3.209 . 0 0 "[ . 1 . 2]" 1
863 1 76 LEU QB 1 77 TYR HA . . 5.130 4.223 3.941 4.482 . 0 0 "[ . 1 . 2]" 1
864 1 76 LEU QD 1 77 TYR H . . 4.040 3.396 3.165 3.654 . 0 0 "[ . 1 . 2]" 1
865 1 76 LEU QD 1 78 GLU H . . 5.560 5.591 5.215 6.216 0.656 16 2 "[ . 1 .+ -]" 1
866 1 76 LEU QD 1 78 GLU HA . . 5.160 5.513 5.145 6.251 1.091 9 7 "[ . *-+1 * *.* *]" 1
867 1 76 LEU QD 1 78 GLU QG . . 4.540 5.206 4.343 6.111 1.571 9 10 "[ - *+1** *.* ***]" 1
868 1 76 LEU HG 1 77 TYR H . . 5.410 5.018 4.839 5.238 . 0 0 "[ . 1 . 2]" 1
869 1 76 LEU HG 1 78 GLU QG . . 4.690 7.973 7.042 8.886 4.196 9 20 [********+*******-***] 1
870 1 77 TYR H 1 78 GLU H . . 4.650 4.256 4.033 4.515 . 0 0 "[ . 1 . 2]" 1
871 1 77 TYR H 1 78 GLU HA . . 5.620 4.873 4.471 5.093 . 0 0 "[ . 1 . 2]" 1
872 1 77 TYR HA 1 78 GLU H . . 2.460 2.160 1.956 2.400 . 0 0 "[ . 1 . 2]" 1
873 1 77 TYR HA 1 78 GLU HA . . 4.700 4.437 4.266 4.615 . 0 0 "[ . 1 . 2]" 1
874 1 77 TYR QB 1 79 LEU HG . . 4.450 5.667 4.542 7.811 3.361 12 16 "[* *********+*-*** 2]" 1
875 1 77 TYR QD 1 78 GLU H . . 5.640 3.410 2.205 4.297 . 0 0 "[ . 1 . 2]" 1
876 1 77 TYR QD 1 79 LEU HG . . 4.990 4.214 2.987 6.115 1.125 12 1 "[ . 1 + . 2]" 1
877 1 78 GLU H 1 79 LEU H . . 4.540 4.476 4.334 4.594 0.054 11 0 "[ . 1 . 2]" 1
878 1 78 GLU H 1 79 LEU HA . . 5.160 4.725 4.400 4.952 . 0 0 "[ . 1 . 2]" 1
879 1 78 GLU H 1 79 LEU HG . . 5.380 4.984 3.945 7.309 1.929 12 3 "[ * . 1 + . - 2]" 1
880 1 78 GLU HA 1 79 LEU H . . 2.440 2.296 2.255 2.393 . 0 0 "[ . 1 . 2]" 1
881 1 78 GLU HA 1 79 LEU HA . . 4.700 4.413 4.334 4.501 . 0 0 "[ . 1 . 2]" 1
882 1 78 GLU HA 1 79 LEU QD . . 5.780 3.060 2.275 4.337 . 0 0 "[ . 1 . 2]" 1
883 1 78 GLU HA 1 79 LEU HG . . 4.620 4.490 3.430 5.342 0.722 12 1 "[ . 1 + . 2]" 1
884 1 78 GLU HA 1 80 HIS HD2 . . 4.830 5.917 4.493 7.974 3.144 7 9 "[* * . + *1* **. *- 2]" 1
885 1 78 GLU QB 1 79 LEU H . . 4.010 3.712 3.390 3.869 . 0 0 "[ . 1 . 2]" 1
886 1 78 GLU QB 1 79 LEU HA . . 5.000 4.538 4.071 4.919 . 0 0 "[ . 1 . 2]" 1
887 1 79 LEU H 1 80 HIS H . . 4.640 4.442 4.311 4.578 . 0 0 "[ . 1 . 2]" 1
888 1 79 LEU H 1 80 HIS HA . . 5.500 4.718 4.429 5.005 . 0 0 "[ . 1 . 2]" 1
889 1 79 LEU HA 1 80 HIS H . . 2.450 2.233 2.127 2.383 . 0 0 "[ . 1 . 2]" 1
890 1 79 LEU HA 1 80 HIS HA . . 4.710 4.356 4.241 4.469 . 0 0 "[ . 1 . 2]" 1
891 1 79 LEU QB 1 80 HIS H . . 3.980 3.041 2.782 3.316 . 0 0 "[ . 1 . 2]" 1
892 1 79 LEU QB 1 80 HIS HA . . 5.080 4.399 4.160 4.788 . 0 0 "[ . 1 . 2]" 1
893 1 79 LEU QB 1 80 HIS HD2 . . 5.790 5.438 4.243 7.117 1.327 3 7 "[ + . * *1* -*. * 2]" 1
894 1 79 LEU QB 1 82 ILE MD . . 4.880 2.735 1.886 4.079 . 0 0 "[ . 1 . 2]" 1
895 1 79 LEU QB 1 82 ILE QG . . 5.040 2.942 1.868 4.046 . 0 0 "[ . 1 . 2]" 1
896 1 79 LEU QD 1 82 ILE HB . . 4.950 3.142 1.647 4.639 . 0 0 "[ . 1 . 2]" 1
897 1 79 LEU QD 1 82 ILE MD . . 4.020 2.080 1.452 3.110 . 0 0 "[ . 1 . 2]" 1
898 1 79 LEU QD 1 82 ILE QG . . 5.520 2.526 1.636 3.948 . 0 0 "[ . 1 . 2]" 1
899 1 79 LEU HG 1 80 HIS H . . 5.120 4.567 4.010 5.198 0.078 2 0 "[ . 1 . 2]" 1
900 1 80 HIS H 1 81 ILE H . . 4.730 4.398 4.009 4.609 . 0 0 "[ . 1 . 2]" 1
901 1 80 HIS H 1 81 ILE MG . . 5.270 5.703 4.515 6.244 0.974 14 14 "[-* ** *****+.** **]" 1
902 1 80 HIS H 1 82 ILE HA . . 5.660 4.862 4.262 5.703 0.043 4 0 "[ . 1 . 2]" 1
903 1 80 HIS HA 1 81 ILE H . . 2.440 2.166 1.987 2.369 . 0 0 "[ . 1 . 2]" 1
904 1 81 ILE H 1 82 ILE H . . 3.800 3.479 3.148 4.142 0.342 10 0 "[ . 1 . 2]" 1
905 1 81 ILE H 1 82 ILE HA . . 5.610 5.622 5.182 5.972 0.362 2 0 "[ . 1 . 2]" 1
906 1 81 ILE HA 1 82 ILE H . . 2.610 2.994 2.287 3.767 1.157 2 6 "[ + *. - 1 * .* *]" 1
907 1 81 ILE HA 1 82 ILE HA . . 4.840 4.827 4.500 5.473 0.633 8 4 "[ . + 1 - .* *]" 1
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