NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
557076 |
2m33   |
18919 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m33
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 1420
_Distance_constraint_stats_list.Viol_count 6267
_Distance_constraint_stats_list.Viol_total 57741.316
_Distance_constraint_stats_list.Viol_max 3.389
_Distance_constraint_stats_list.Viol_rms 0.2421
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0769
_Distance_constraint_stats_list.Viol_average_violations_only 0.4006
_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 4 GLN 0.001 0.001 21 0 "[ . 1 . 2 ]"
1 6 ASP 3.337 0.321 3 0 "[ . 1 . 2 ]"
1 7 LYS 24.572 1.077 22 12 "[ ***. * ** **.** -2 + ]"
1 8 ASP 22.918 0.854 6 12 "[ *.+ ****- .* *** * ]"
1 9 VAL 39.941 0.875 3 13 "[ +*.* ***-* .* *** * ]"
1 10 LYS 68.088 2.232 2 13 "[ +-*** **1 ** . *2***]"
1 11 TYR 66.330 2.619 23 20 "[****.* ********** -***+]"
1 12 TYR 204.238 2.374 23 23 [********-*************+]
1 13 THR 94.556 1.676 22 23 [********-************+*]
1 14 LEU 247.864 2.365 11 22 [********-1+************]
1 15 GLU 21.550 1.274 2 3 "[ + . 1 -*. 2 ]"
1 16 GLU 98.029 2.359 2 22 "[*+***** *********-*****]"
1 17 ILE 85.496 2.171 9 23 [********+*-************]
1 18 LYS 71.083 1.582 13 23 [************+*******-**]
1 19 LYS 143.225 2.204 13 22 "[***-*** ****+**********]"
1 20 HIS 108.223 3.389 16 23 [***************+**-****]
1 21 ASN 112.105 1.670 5 23 [****+*****************-]
1 22 HIS 123.696 3.389 16 22 "[ **************+******-]"
1 23 SER 37.013 1.903 10 16 "[-* ******+****.* ** ]"
1 24 LYS 37.096 1.455 16 20 "[* ***** **-* **+*******]"
1 25 SER 48.241 1.455 16 21 "[* ********** **+***-***]"
1 26 THR 108.364 1.903 10 23 [*********+***-*********]
1 27 TRP 205.990 2.078 2 23 [*+***************-*****]
1 28 LEU 69.473 1.538 23 23 [*****************-****+]
1 29 ILE 74.891 1.695 2 23 [*+******-**************]
1 30 LEU 102.088 2.131 4 23 [***+****-**************]
1 31 HIS 85.752 2.131 4 23 [***+****************-**]
1 32 HIS 5.563 1.259 14 3 "[ . - 1 +* 2 ]"
1 33 LYS 71.556 1.695 2 23 [*+************-********]
1 34 VAL 52.882 1.053 8 20 "[** *** +** ***-********]"
1 35 TYR 88.261 1.573 12 23 [****-******+***********]
1 36 ASP 8.805 0.519 23 1 "[ . 1 . 2 +]"
1 37 LEU 43.121 1.363 20 21 "[****-****** *******+** ]"
1 38 THR 29.023 1.205 23 13 "[* ** 1-** ** **** +]"
1 39 LYS 16.878 1.697 4 12 "[***+.* ****** .- 2 ]"
1 40 PHE 74.185 1.697 4 23 [-**+*******************]
1 41 LEU 18.026 0.596 19 2 "[ . 1 . +- ]"
1 42 GLU 46.880 1.386 14 16 "[* **********+.* -* * ]"
1 43 GLU 8.266 0.600 12 1 "[ . 1 + . 2 ]"
1 44 HIS 1.577 0.202 4 0 "[ . 1 . 2 ]"
1 45 PRO 0.326 0.302 4 0 "[ . 1 . 2 ]"
1 46 GLY 0.326 0.302 4 0 "[ . 1 . 2 ]"
1 47 GLY 0.588 0.195 3 0 "[ . 1 . 2 ]"
1 48 GLU 66.439 1.776 23 18 "[* ************.* -* *+]"
1 49 GLU 24.937 0.869 17 11 "[ * *-* 1* * .*+**2 *]"
1 50 VAL 25.217 0.810 17 6 "[ * .* 1- * . + 2 *]"
1 51 LEU 13.676 0.850 9 4 "[ . +1 . * -2 *]"
1 52 ARG 65.614 1.776 23 18 "[****** 1****.*****-*+]"
1 53 GLU 51.011 1.138 13 15 "[** *** 1**+*.*****- ]"
1 54 GLN 81.576 3.078 9 20 "[******-*+* ******* *** ]"
1 55 ALA 50.521 0.891 23 12 "[ **** *1* *.*** - +]"
1 56 GLY 62.048 1.683 9 23 [********+*-************]
1 57 GLY 82.794 2.171 9 23 [********+****-*********]
1 58 ASP 18.881 1.538 23 8 "[* . **1 * .- **2 +]"
1 59 ALA 61.876 1.902 13 19 "[******- *** +***** ** *]"
1 60 THR 80.647 1.532 1 22 "[+*******-******* ******]"
1 61 GLU 34.131 1.251 12 21 "[*********1*+********* -]"
1 62 ASN 114.166 3.078 9 22 "[********+**-****** ****]"
1 63 PHE 20.078 0.911 1 15 "[+-**.* *1 * ***** ** *]"
1 64 GLU 64.362 1.344 5 23 [****+*****-************]
1 65 ASP 11.350 1.287 5 5 "[ + * * *. 2 - ]"
1 66 VAL 0.830 0.188 21 0 "[ . 1 . 2 ]"
1 67 GLY 1.791 0.321 20 0 "[ . 1 . 2 ]"
1 68 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 SER 1.209 0.193 2 0 "[ . 1 . 2 ]"
1 70 THR 84.610 1.773 23 20 "[*** -******** ** *****+]"
1 71 ASP 7.395 0.441 13 0 "[ . 1 . 2 ]"
1 72 ALA 12.038 0.435 6 0 "[ . 1 . 2 ]"
1 73 ARG 56.290 0.855 6 20 "[*** -+******* ** ******]"
1 74 GLU 44.050 1.773 23 18 "[ ** **** **** * -*****+]"
1 75 LEU 21.892 1.408 3 12 "[ + * 1* ***** -* **]"
1 76 SER 8.868 2.104 3 1 "[ + . 1 . 2 ]"
1 77 LYS 42.757 1.486 3 12 "[ *+ * * 1 * . ***-***]"
1 78 THR 45.571 2.104 3 12 "[ + * 1* -**** ** **]"
1 79 PHE 94.874 1.464 3 23 [**+*********-**********]
1 80 ILE 54.277 0.882 9 14 "[* **** *+1* ** *- **]"
1 81 ILE 49.742 1.386 10 22 "[***** ***+****-********]"
1 82 GLY 63.043 1.609 22 23 [********-************+*]
1 83 GLU 32.370 1.744 16 9 "[ * . **1 **-+* 2 * ]"
1 84 LEU 125.972 1.845 11 23 [********-*+************]
1 85 HIS 154.019 2.619 23 23 [*******-**************+]
1 86 PRO 46.905 1.906 21 19 "[**-*.* ******** * **+**]"
1 87 ASP 2.688 0.540 14 2 "[ . 1 - +. 2 ]"
1 88 ASP 61.418 1.946 21 23 [********-***********+**]
1 89 ARG 100.775 1.817 21 22 [********-*****.*****+**]
1 92 LEU 6.748 0.390 10 0 "[ . 1 . 2 ]"
1 93 SER 6.430 0.390 10 0 "[ . 1 . 2 ]"
1 94 LYS 0.637 0.330 1 0 "[ . 1 . 2 ]"
1 95 PRO 16.446 0.959 20 10 "[** *.* 1* -.* * +* ]"
1 96 MET 15.637 0.959 20 10 "[** *.* 1* -.* * +* ]"
1 97 GLU 2.491 0.197 1 0 "[ . 1 . 2 ]"
1 98 THR 2.274 0.197 1 0 "[ . 1 . 2 ]"
1 99 LEU 0.318 0.265 5 0 "[ . 1 . 2 ]"
1 100 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 101 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 102 THR 1.150 0.202 1 0 "[ . 1 . 2 ]"
1 103 VAL 2.529 0.223 12 0 "[ . 1 . 2 ]"
1 104 ASP 1.631 0.223 12 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 53 GLU HA 1 53 GLU HG3 . . 3.980 3.695 3.580 3.809 . 0 0 "[ . 1 . 2 ]" 1
2 1 54 GLN HA 1 54 GLN QG . . 3.800 2.866 2.779 2.951 . 0 0 "[ . 1 . 2 ]" 1
3 1 7 LYS HA 1 7 LYS QD . . 2.980 2.092 1.900 2.294 . 0 0 "[ . 1 . 2 ]" 1
4 1 7 LYS HA 1 7 LYS HB3 . . 2.800 2.524 2.371 2.734 . 0 0 "[ . 1 . 2 ]" 1
5 1 7 LYS HA 1 7 LYS QE . . 4.090 3.927 2.330 4.240 0.150 3 0 "[ . 1 . 2 ]" 1
6 1 9 VAL HA 1 9 VAL HB . . 3.000 2.386 2.350 2.425 . 0 0 "[ . 1 . 2 ]" 1
7 1 9 VAL HA 1 9 VAL QG . . 2.840 2.399 2.332 2.450 . 0 0 "[ . 1 . 2 ]" 1
8 1 10 LYS HA 1 10 LYS QG . . 3.980 2.357 2.184 2.510 . 0 0 "[ . 1 . 2 ]" 1
9 1 10 LYS HA 1 11 TYR QB . . 4.430 4.237 4.088 4.368 . 0 0 "[ . 1 . 2 ]" 1
10 1 9 VAL HA 1 10 LYS HA . . 4.660 4.404 4.366 4.501 . 0 0 "[ . 1 . 2 ]" 1
11 1 10 LYS HA 1 11 TYR HA . . 4.420 4.361 4.345 4.388 . 0 0 "[ . 1 . 2 ]" 1
12 1 10 LYS HA 1 11 TYR QD . . 4.410 3.671 3.143 4.666 0.256 13 0 "[ . 1 . 2 ]" 1
13 1 10 LYS HA 1 83 GLU H . . 5.130 4.908 4.648 5.345 0.215 9 0 "[ . 1 . 2 ]" 1
14 1 11 TYR HA 1 85 HIS HA . . 4.570 4.875 4.433 5.416 0.846 8 3 "[ . + * - . 2 ]" 1
15 1 10 LYS QG 1 12 TYR HA . . 4.830 4.855 3.627 7.062 2.232 2 6 "[ + . **1 - . 2** ]" 1
16 1 12 TYR HA 1 13 THR MG . . 5.060 4.762 4.300 5.251 0.191 2 0 "[ . 1 . 2 ]" 1
17 1 13 THR HA 1 13 THR MG . . 3.560 2.161 2.114 2.215 . 0 0 "[ . 1 . 2 ]" 1
18 1 13 THR HA 1 14 LEU H . . 3.350 2.332 2.265 2.402 . 0 0 "[ . 1 . 2 ]" 1
19 1 12 TYR HA 1 13 THR HA . . 4.440 4.347 4.315 4.368 . 0 0 "[ . 1 . 2 ]" 1
20 1 13 THR HA 1 85 HIS H . . 4.470 3.547 2.971 4.773 0.303 9 0 "[ . 1 . 2 ]" 1
21 1 14 LEU HA 1 14 LEU QD . . 3.750 2.199 1.988 2.640 . 0 0 "[ . 1 . 2 ]" 1
22 1 52 ARG QG 1 53 GLU HA . . 4.130 4.165 3.042 4.854 0.724 18 6 "[ ** 1 * *.- + 2 ]" 1
23 1 15 GLU HA 1 15 GLU QG . . 3.340 3.437 3.384 3.483 0.143 18 0 "[ . 1 . 2 ]" 1
24 1 15 GLU HA 1 18 LYS QD . . 3.640 3.037 2.516 4.196 0.556 13 1 "[ . 1 + . 2 ]" 1
25 1 15 GLU HA 1 19 LYS QE . . 4.400 4.297 3.534 5.674 1.274 2 2 "[ + . 1 -. 2 ]" 1
26 1 16 GLU HA 1 19 LYS QE . . 3.920 4.788 3.255 6.050 2.130 13 14 "[****** *1* +** * -* ]" 1
27 1 18 LYS HA 1 18 LYS QD . . 4.050 4.288 3.538 4.502 0.452 3 0 "[ . 1 . 2 ]" 1
28 1 18 LYS HA 1 56 GLY HA3 . . 3.660 2.333 2.090 2.662 . 0 0 "[ . 1 . 2 ]" 1
29 1 18 LYS HA 1 56 GLY HA2 . . 3.660 2.784 2.333 3.253 . 0 0 "[ . 1 . 2 ]" 1
30 1 19 LYS HA 1 19 LYS QG . . 3.400 2.544 2.151 2.884 . 0 0 "[ . 1 . 2 ]" 1
31 1 19 LYS HA 1 19 LYS QE . . 4.450 3.717 2.520 4.433 . 0 0 "[ . 1 . 2 ]" 1
32 1 20 HIS HA 1 21 ASN HA . . 4.950 4.760 4.701 4.858 . 0 0 "[ . 1 . 2 ]" 1
33 1 21 ASN HA 1 26 THR HA . . 4.350 2.570 1.960 3.300 . 0 0 "[ . 1 . 2 ]" 1
34 1 21 ASN HA 1 55 ALA MB . . 3.360 3.386 2.695 4.170 0.810 3 3 "[ + * 1 . 2 -]" 1
35 1 21 ASN HA 1 26 THR MG . . 4.500 3.661 2.812 4.656 0.156 8 0 "[ . 1 . 2 ]" 1
36 1 24 LYS HA 1 24 LYS QD . . 3.990 4.180 3.597 4.529 0.539 1 1 "[+ . 1 . 2 ]" 1
37 1 24 LYS HA 1 38 THR MG . . 3.930 2.929 2.593 3.722 . 0 0 "[ . 1 . 2 ]" 1
38 1 25 SER HA 1 38 THR MG . . 3.780 2.920 2.601 3.301 . 0 0 "[ . 1 . 2 ]" 1
39 1 26 THR HA 1 27 TRP HA . . 4.480 4.422 4.392 4.476 . 0 0 "[ . 1 . 2 ]" 1
40 1 29 ILE HA 1 34 VAL HA . . 3.880 2.692 2.524 2.910 . 0 0 "[ . 1 . 2 ]" 1
41 1 34 VAL HA 1 35 TYR H . . 3.390 2.134 2.115 2.146 . 0 0 "[ . 1 . 2 ]" 1
42 1 27 TRP HA 1 36 ASP HA . . 3.780 2.765 2.430 3.186 . 0 0 "[ . 1 . 2 ]" 1
43 1 27 TRP HE1 1 36 ASP HA . . 4.520 3.789 3.280 4.585 0.065 10 0 "[ . 1 . 2 ]" 1
44 1 37 LEU HA 1 40 PHE H . . 3.980 3.432 3.097 3.750 . 0 0 "[ . 1 . 2 ]" 1
45 1 38 THR HA 1 41 LEU QD . . 3.420 2.359 2.180 2.743 . 0 0 "[ . 1 . 2 ]" 1
46 1 38 THR HA 1 41 LEU HG . . 4.150 2.552 2.207 3.040 . 0 0 "[ . 1 . 2 ]" 1
47 1 39 LYS HA 1 39 LYS QD . . 4.070 2.012 1.834 2.635 . 0 0 "[ . 1 . 2 ]" 1
48 1 39 LYS HA 1 39 LYS QG . . 3.300 2.684 2.427 2.927 . 0 0 "[ . 1 . 2 ]" 1
49 1 40 PHE HA 1 43 GLU HB3 . . 3.920 4.012 3.633 4.520 0.600 12 1 "[ . 1 + . 2 ]" 1
50 1 40 PHE HA 1 40 PHE QD . . 3.310 2.766 2.409 3.154 . 0 0 "[ . 1 . 2 ]" 1
51 1 42 GLU HA 1 42 GLU HB3 . . 3.010 2.390 2.339 2.443 . 0 0 "[ . 1 . 2 ]" 1
52 1 42 GLU HA 1 48 GLU QB . . 3.710 3.267 2.767 3.776 0.066 7 0 "[ . 1 . 2 ]" 1
53 1 43 GLU HA 1 43 GLU QG . . 3.620 2.555 2.247 2.999 . 0 0 "[ . 1 . 2 ]" 1
54 1 47 GLY H 1 48 GLU HA . . 5.020 4.917 4.658 5.215 0.195 3 0 "[ . 1 . 2 ]" 1
55 1 49 GLU HA 1 49 GLU QG . . 3.250 2.681 2.211 2.982 . 0 0 "[ . 1 . 2 ]" 1
56 1 49 GLU HA 1 52 ARG QB . . 3.740 3.930 3.100 4.379 0.639 18 3 "[ *- 1 . + 2 ]" 1
57 1 50 VAL HA 1 53 GLU QB . . 3.970 4.074 3.699 4.594 0.624 6 1 "[ .+ 1 . 2 ]" 1
58 1 51 LEU H 1 52 ARG HA . . 5.160 4.972 4.807 5.100 . 0 0 "[ . 1 . 2 ]" 1
59 1 49 GLU HA 1 52 ARG HA . . 5.500 5.708 5.366 5.989 0.489 18 0 "[ . 1 . 2 ]" 1
60 1 26 THR MG 1 52 ARG HA . . 3.930 2.961 2.401 3.604 . 0 0 "[ . 1 . 2 ]" 1
61 1 28 LEU HB3 1 55 ALA HA . . 5.500 5.191 4.382 5.893 0.393 17 0 "[ . 1 . 2 ]" 1
62 1 52 ARG HA 1 55 ALA HA . . 4.970 4.667 4.334 5.124 0.154 6 0 "[ . 1 . 2 ]" 1
63 1 28 LEU HA 1 55 ALA HA . . 4.450 3.298 2.579 4.051 . 0 0 "[ . 1 . 2 ]" 1
64 1 54 GLN H 1 55 ALA HA . . 4.710 4.472 4.258 4.886 0.176 3 0 "[ . 1 . 2 ]" 1
65 1 58 ASP HA 1 59 ALA HA . . 4.690 4.381 4.366 4.418 . 0 0 "[ . 1 . 2 ]" 1
66 1 28 LEU QD 1 59 ALA HA . . 5.500 4.414 3.944 5.130 . 0 0 "[ . 1 . 2 ]" 1
67 1 54 GLN QB 1 59 ALA HA . . 4.450 4.083 3.018 4.693 0.243 17 0 "[ . 1 . 2 ]" 1
68 1 54 GLN QG 1 59 ALA HA . . 4.690 4.267 3.411 5.185 0.495 14 0 "[ . 1 . 2 ]" 1
69 1 30 LEU HA 1 60 THR HA . . 4.220 3.333 2.658 3.846 . 0 0 "[ . 1 . 2 ]" 1
70 1 60 THR HA 1 62 ASN H . . 4.510 4.239 3.725 4.757 0.247 8 0 "[ . 1 . 2 ]" 1
71 1 61 GLU HA 1 61 GLU HG2 . . 4.140 3.737 3.546 4.105 . 0 0 "[ . 1 . 2 ]" 1
72 1 61 GLU HA 1 64 GLU H . . 3.910 3.954 3.614 4.457 0.547 12 1 "[ . 1 + . 2 ]" 1
73 1 60 THR MG 1 61 GLU HA . . 4.090 3.760 3.181 4.129 0.039 19 0 "[ . 1 . 2 ]" 1
74 1 62 ASN HA 1 65 ASP QB . . 3.450 2.201 2.019 2.535 . 0 0 "[ . 1 . 2 ]" 1
75 1 65 ASP HA 1 66 VAL HA . . 4.840 4.713 4.663 4.801 . 0 0 "[ . 1 . 2 ]" 1
76 1 65 ASP QB 1 66 VAL HA . . 4.720 4.135 3.823 4.297 . 0 0 "[ . 1 . 2 ]" 1
77 1 73 ARG HA 1 73 ARG QG . . 3.960 3.381 3.318 3.448 . 0 0 "[ . 1 . 2 ]" 1
78 1 73 ARG HA 1 73 ARG QD . . 4.570 4.032 3.887 4.222 . 0 0 "[ . 1 . 2 ]" 1
79 1 73 ARG HA 1 76 SER QB . . 4.660 3.415 2.708 4.129 . 0 0 "[ . 1 . 2 ]" 1
80 1 74 GLU HA 1 74 GLU QG . . 3.650 2.893 2.796 2.990 . 0 0 "[ . 1 . 2 ]" 1
81 1 73 ARG HA 1 74 GLU HA . . 4.890 4.691 4.607 4.769 . 0 0 "[ . 1 . 2 ]" 1
82 1 76 SER HA 1 79 PHE QD . . 4.240 2.109 1.905 3.293 . 0 0 "[ . 1 . 2 ]" 1
83 1 16 GLU HA 1 19 LYS QD . . 4.400 5.343 4.120 6.604 2.204 13 18 "[* *.** ***-+******2***]" 1
84 1 16 GLU HA 1 19 LYS QG . . 4.210 4.417 3.743 5.046 0.836 13 3 "[ . 1 + . - *2 ]" 1
85 1 77 LYS HA 1 80 ILE MG . . 3.680 2.758 2.107 3.737 0.057 14 0 "[ . 1 . 2 ]" 1
86 1 77 LYS HA 1 80 ILE QG . . 5.290 5.210 4.667 5.952 0.662 5 3 "[ + 1 . - *]" 1
87 1 78 THR HA 1 78 THR HB . . 2.620 2.576 2.466 3.020 0.400 3 0 "[ . 1 . 2 ]" 1
88 1 78 THR HA 1 78 THR MG . . 3.270 3.161 2.286 3.219 . 0 0 "[ . 1 . 2 ]" 1
89 1 34 VAL HA 1 80 ILE HA . . 5.500 5.632 5.262 5.956 0.456 1 0 "[ . 1 . 2 ]" 1
90 1 77 LYS HA 1 80 ILE HA . . 5.500 5.682 4.996 6.226 0.726 23 4 "[ * 1 . -2 *+]" 1
91 1 81 ILE HA 1 81 ILE MG . . 3.330 2.385 2.217 2.457 . 0 0 "[ . 1 . 2 ]" 1
92 1 10 LYS QB 1 82 GLY QA . . 4.270 3.113 2.823 3.375 . 0 0 "[ . 1 . 2 ]" 1
93 1 12 TYR H 1 82 GLY QA . . 5.200 4.142 3.529 4.534 . 0 0 "[ . 1 . 2 ]" 1
94 1 81 ILE H 1 82 GLY QA . . 4.640 4.070 3.989 4.163 . 0 0 "[ . 1 . 2 ]" 1
95 1 34 VAL HB 1 82 GLY QA . . 4.760 3.595 3.181 4.029 . 0 0 "[ . 1 . 2 ]" 1
96 1 89 ARG HA 1 89 ARG QG . . 3.600 2.378 2.259 2.475 . 0 0 "[ . 1 . 2 ]" 1
97 1 41 LEU HG 1 48 GLU QB . . 5.310 5.015 4.469 5.906 0.596 19 1 "[ . 1 . +2 ]" 1
98 1 17 ILE MG 1 34 VAL QG . . 3.940 2.093 1.908 2.240 . 0 0 "[ . 1 . 2 ]" 1
99 1 31 HIS QB 1 60 THR MG . . 4.470 3.838 3.484 4.350 . 0 0 "[ . 1 . 2 ]" 1
100 1 60 THR MG 1 64 GLU HG3 . . 5.070 4.223 2.539 5.251 0.181 4 0 "[ . 1 . 2 ]" 1
101 1 60 THR MG 1 64 GLU HG2 . . 5.070 3.225 2.491 3.781 . 0 0 "[ . 1 . 2 ]" 1
102 1 81 ILE MD 1 81 ILE MG . . 3.910 1.872 1.789 2.014 . 0 0 "[ . 1 . 2 ]" 1
103 1 75 LEU HA 1 78 THR MG . . 4.020 3.873 3.397 5.428 1.408 3 1 "[ + . 1 . 2 ]" 1
104 1 38 THR H 1 41 LEU HG . . 5.270 4.694 4.374 4.958 . 0 0 "[ . 1 . 2 ]" 1
105 1 41 LEU HG 1 42 GLU H . . 5.500 4.164 3.950 4.499 . 0 0 "[ . 1 . 2 ]" 1
106 1 62 ASN QB 1 64 GLU H . . 5.100 4.912 4.809 5.032 . 0 0 "[ . 1 . 2 ]" 1
107 1 77 LYS HA 1 80 ILE HB . . 4.560 3.767 3.078 4.547 . 0 0 "[ . 1 . 2 ]" 1
108 1 35 TYR HA 1 80 ILE HB . . 5.090 4.335 3.807 4.847 . 0 0 "[ . 1 . 2 ]" 1
109 1 29 ILE HB 1 58 ASP HA . . 4.140 1.935 1.814 2.266 . 0 0 "[ . 1 . 2 ]" 1
110 1 29 ILE HB 1 58 ASP H . . 4.330 3.806 3.412 4.154 . 0 0 "[ . 1 . 2 ]" 1
111 1 29 ILE HB 1 59 ALA MB . . 5.280 5.063 4.614 5.334 0.054 11 0 "[ . 1 . 2 ]" 1
112 1 41 LEU QB 1 48 GLU QB . . 3.790 2.369 1.886 3.197 . 0 0 "[ . 1 . 2 ]" 1
113 1 41 LEU QB 1 51 LEU QB . . 4.280 3.633 2.957 4.294 0.014 22 0 "[ . 1 . 2 ]" 1
114 1 27 TRP HA 1 28 LEU HA . . 4.740 4.409 4.390 4.458 . 0 0 "[ . 1 . 2 ]" 1
115 1 27 TRP HA 1 36 ASP HB2 . . 4.660 4.611 3.798 5.179 0.519 23 1 "[ . 1 . 2 +]" 1
116 1 47 GLY HA2 1 48 GLU HA . . 4.940 4.350 4.312 4.391 . 0 0 "[ . 1 . 2 ]" 1
117 1 47 GLY HA3 1 48 GLU HA . . 4.940 4.525 4.452 4.643 . 0 0 "[ . 1 . 2 ]" 1
118 1 79 PHE HA 1 81 ILE MG . . 5.290 3.932 3.655 4.326 . 0 0 "[ . 1 . 2 ]" 1
119 1 48 GLU HA 1 48 GLU QG . . 3.700 3.344 3.312 3.435 . 0 0 "[ . 1 . 2 ]" 1
120 1 42 GLU HA 1 48 GLU QG . . 4.680 4.520 3.502 5.323 0.643 14 1 "[ . 1 +. 2 ]" 1
121 1 48 GLU QG 1 49 GLU HA . . 4.370 3.490 3.116 5.115 0.745 23 1 "[ . 1 . 2 +]" 1
122 1 41 LEU QD 1 48 GLU QG . . 5.140 4.437 3.421 5.405 0.265 19 0 "[ . 1 . 2 ]" 1
123 1 48 GLU QG 1 51 LEU H . . 5.140 5.011 4.470 5.893 0.753 23 1 "[ . 1 . 2 +]" 1
124 1 42 GLU H 1 48 GLU QG . . 5.340 5.958 5.243 6.726 1.386 14 12 "[* **-** ** +. ** * ]" 1
125 1 48 GLU QG 1 50 VAL H . . 4.690 4.933 4.511 5.488 0.798 23 1 "[ . 1 . 2 +]" 1
126 1 59 ALA HA 1 62 ASN QB . . 4.730 3.599 3.193 4.110 . 0 0 "[ . 1 . 2 ]" 1
127 1 11 TYR HA 1 83 GLU QB . . 4.980 3.754 3.305 5.240 0.260 9 0 "[ . 1 . 2 ]" 1
128 1 9 VAL HB 1 82 GLY QA . . 3.910 3.704 3.457 4.062 0.152 22 0 "[ . 1 . 2 ]" 1
129 1 8 ASP HA 1 9 VAL HB . . 4.580 4.564 4.393 4.723 0.143 4 0 "[ . 1 . 2 ]" 1
130 1 9 VAL H 1 9 VAL HB . . 3.350 3.197 2.670 3.589 0.239 21 0 "[ . 1 . 2 ]" 1
131 1 69 SER HA 1 70 THR H . . 3.470 2.389 2.307 2.490 . 0 0 "[ . 1 . 2 ]" 1
132 1 25 SER HB3 1 26 THR H . . 5.300 4.479 3.917 4.651 . 0 0 "[ . 1 . 2 ]" 1
133 1 78 THR HB 1 79 PHE H . . 4.330 4.225 3.359 4.457 0.127 14 0 "[ . 1 . 2 ]" 1
134 1 77 LYS H 1 78 THR HB . . 4.700 4.853 4.454 5.164 0.464 16 0 "[ . 1 . 2 ]" 1
135 1 78 THR HB 1 79 PHE QD . . 5.220 5.356 4.160 5.770 0.550 11 2 "[ . 1+ - . 2 ]" 1
136 1 75 LEU HA 1 78 THR HB . . 4.180 4.659 3.630 5.196 1.016 22 11 "[ * 1* **-** ** +*]" 1
137 1 85 HIS HA 1 86 PRO QD . . 3.130 2.074 1.939 2.187 . 0 0 "[ . 1 . 2 ]" 1
138 1 31 HIS HA 1 33 LYS H . . 5.500 4.389 4.274 4.543 . 0 0 "[ . 1 . 2 ]" 1
139 1 31 HIS HA 1 60 THR MG . . 4.220 2.658 2.170 2.967 . 0 0 "[ . 1 . 2 ]" 1
140 1 52 ARG QD 1 53 GLU HA . . 3.670 3.268 2.822 4.808 1.138 13 3 "[* . 1 + . 2- ]" 1
141 1 49 GLU HA 1 52 ARG QD . . 3.590 2.946 2.468 3.864 0.274 6 0 "[ . 1 . 2 ]" 1
142 1 52 ARG H 1 52 ARG QD . . 4.000 3.818 3.222 4.562 0.562 21 1 "[ . 1 . 2+ ]" 1
143 1 52 ARG QD 1 53 GLU H . . 4.030 3.071 2.179 4.535 0.505 21 1 "[ . 1 . 2+ ]" 1
144 1 52 ARG QB 1 52 ARG QD . . 3.070 2.465 2.229 2.732 . 0 0 "[ . 1 . 2 ]" 1
145 1 95 PRO HA 1 96 MET H . . 2.960 2.273 2.136 2.621 . 0 0 "[ . 1 . 2 ]" 1
146 1 69 SER HA 1 70 THR HA . . 4.560 4.302 4.281 4.322 . 0 0 "[ . 1 . 2 ]" 1
147 1 70 THR HA 1 73 ARG QG . . 4.230 2.314 2.112 2.675 . 0 0 "[ . 1 . 2 ]" 1
148 1 70 THR HA 1 73 ARG QD . . 4.360 3.120 2.531 3.824 . 0 0 "[ . 1 . 2 ]" 1
149 1 70 THR HA 1 74 GLU H . . 4.810 4.572 4.081 5.140 0.330 15 0 "[ . 1 . 2 ]" 1
150 1 70 THR HA 1 73 ARG HA . . 5.500 5.978 5.809 6.291 0.791 15 7 "[ -* 1 * + *2 **]" 1
151 1 70 THR H 1 70 THR HB . . 3.330 3.080 2.783 3.500 0.170 20 0 "[ . 1 . 2 ]" 1
152 1 26 THR HB 1 38 THR H . . 4.540 4.015 3.187 4.703 0.163 23 0 "[ . 1 . 2 ]" 1
153 1 70 THR MG 1 74 GLU QG . . 3.300 3.402 2.319 4.602 1.302 23 6 "[ . * - * . ** +]" 1
154 1 70 THR MG 1 74 GLU QB . . 5.400 4.933 3.898 6.247 0.847 23 3 "[ . 1 . -* +]" 1
155 1 70 THR HA 1 70 THR MG . . 2.930 2.191 2.110 2.276 . 0 0 "[ . 1 . 2 ]" 1
156 1 70 THR MG 1 73 ARG H . . 4.550 5.063 4.849 5.394 0.844 23 13 "[ ** . * **** * ***-+]" 1
157 1 61 GLU H 1 61 GLU QB . . 2.790 2.649 2.465 2.946 0.156 4 0 "[ . 1 . 2 ]" 1
158 1 73 ARG H 1 74 GLU HA . . 5.240 5.215 5.035 5.283 0.043 9 0 "[ . 1 . 2 ]" 1
159 1 74 GLU HA 1 76 SER H . . 4.770 4.034 3.681 4.386 . 0 0 "[ . 1 . 2 ]" 1
160 1 74 GLU HA 1 77 LYS HB2 . . 3.600 3.168 2.522 3.974 0.374 13 0 "[ . 1 . 2 ]" 1
161 1 74 GLU HA 1 77 LYS QG . . 4.660 4.629 2.818 5.389 0.729 7 4 "[ ** . + 1 . - 2 ]" 1
162 1 34 VAL HA 1 35 TYR QD . . 4.040 3.828 3.418 4.398 0.358 22 0 "[ . 1 . 2 ]" 1
163 1 9 VAL HA 1 82 GLY QA . . 3.770 2.381 1.959 2.814 . 0 0 "[ . 1 . 2 ]" 1
164 1 8 ASP HA 1 9 VAL HA . . 5.030 4.428 4.330 4.579 . 0 0 "[ . 1 . 2 ]" 1
165 1 9 VAL HA 1 81 ILE HA . . 5.400 4.244 3.810 4.700 . 0 0 "[ . 1 . 2 ]" 1
166 1 60 THR HB 1 61 GLU QB . . 4.710 4.348 3.961 4.715 0.005 4 0 "[ . 1 . 2 ]" 1
167 1 69 SER HB3 1 71 ASP H . . 4.320 3.882 2.971 4.472 0.152 16 0 "[ . 1 . 2 ]" 1
168 1 82 GLY QA 1 83 GLU HA . . 4.630 3.941 3.926 3.951 . 0 0 "[ . 1 . 2 ]" 1
169 1 21 ASN H 1 22 HIS HA . . 5.170 5.378 5.136 5.698 0.528 9 1 "[ . +1 . 2 ]" 1
170 1 16 GLU HA 1 16 GLU QG . . 3.680 2.788 2.261 3.323 . 0 0 "[ . 1 . 2 ]" 1
171 1 12 TYR QD 1 16 GLU QG . . 3.740 3.013 1.890 5.149 1.409 2 3 "[ + *. - . 2 ]" 1
172 1 41 LEU QD 1 48 GLU QB . . 4.180 3.084 2.363 3.816 . 0 0 "[ . 1 . 2 ]" 1
173 1 9 VAL H 1 9 VAL QG . . 2.430 2.114 1.858 2.549 0.119 3 0 "[ . 1 . 2 ]" 1
174 1 9 VAL QG 1 83 GLU QB . . 4.280 2.917 2.393 3.646 . 0 0 "[ . 1 . 2 ]" 1
175 1 9 VAL QG 1 83 GLU QG . . 4.690 2.472 1.982 3.931 . 0 0 "[ . 1 . 2 ]" 1
176 1 9 VAL QG 1 82 GLY QA . . 4.190 2.048 1.860 2.435 . 0 0 "[ . 1 . 2 ]" 1
177 1 8 ASP HA 1 9 VAL QG . . 5.500 3.458 3.231 3.737 . 0 0 "[ . 1 . 2 ]" 1
178 1 54 GLN QB 1 59 ALA MB . . 4.470 2.116 1.901 2.482 . 0 0 "[ . 1 . 2 ]" 1
179 1 54 GLN QG 1 59 ALA MB . . 4.780 2.616 2.166 3.139 . 0 0 "[ . 1 . 2 ]" 1
180 1 28 LEU QD 1 59 ALA MB . . 3.610 2.197 1.895 2.764 . 0 0 "[ . 1 . 2 ]" 1
181 1 28 LEU HB2 1 59 ALA MB . . 5.110 5.166 4.400 5.530 0.420 14 0 "[ . 1 . 2 ]" 1
182 1 30 LEU HA 1 60 THR MG . . 4.530 3.786 3.463 4.455 . 0 0 "[ . 1 . 2 ]" 1
183 1 36 ASP HB3 1 81 ILE MG . . 3.970 2.696 2.188 3.229 . 0 0 "[ . 1 . 2 ]" 1
184 1 80 ILE HA 1 81 ILE MG . . 4.450 3.719 3.564 4.133 . 0 0 "[ . 1 . 2 ]" 1
185 1 42 GLU HB3 1 43 GLU H . . 4.520 4.358 4.172 4.560 0.040 11 0 "[ . 1 . 2 ]" 1
186 1 42 GLU HB2 1 43 GLU H . . 4.420 4.154 3.868 4.387 . 0 0 "[ . 1 . 2 ]" 1
187 1 12 TYR QD 1 16 GLU QB . . 5.110 3.683 2.997 4.652 . 0 0 "[ . 1 . 2 ]" 1
188 1 71 ASP HA 1 74 GLU QB . . 3.940 2.632 2.292 2.972 . 0 0 "[ . 1 . 2 ]" 1
189 1 73 ARG QD 1 74 GLU QB . . 5.460 3.875 3.759 4.031 . 0 0 "[ . 1 . 2 ]" 1
190 1 74 GLU H 1 74 GLU QB . . 3.180 2.356 2.267 2.455 . 0 0 "[ . 1 . 2 ]" 1
191 1 49 GLU HB3 1 50 VAL H . . 4.040 2.524 2.353 2.762 . 0 0 "[ . 1 . 2 ]" 1
192 1 42 GLU H 1 42 GLU HB2 . . 3.790 3.589 3.558 3.636 . 0 0 "[ . 1 . 2 ]" 1
193 1 74 GLU QG 1 75 LEU H . . 4.170 4.255 4.015 4.467 0.297 5 0 "[ . 1 . 2 ]" 1
194 1 62 ASN QB 1 65 ASP H . . 5.500 4.785 4.665 5.067 . 0 0 "[ . 1 . 2 ]" 1
195 1 14 LEU HA 1 17 ILE HB . . 4.980 5.178 4.801 5.735 0.755 22 2 "[ . 1 -. 2 + ]" 1
196 1 17 ILE HB 1 18 LYS H . . 4.400 3.681 3.493 3.873 . 0 0 "[ . 1 . 2 ]" 1
197 1 21 ASN QB 1 55 ALA MB . . 4.190 2.118 1.976 2.364 . 0 0 "[ . 1 . 2 ]" 1
198 1 26 THR MG 1 55 ALA MB . . 3.540 1.991 1.871 2.206 . 0 0 "[ . 1 . 2 ]" 1
199 1 29 ILE H 1 29 ILE HG12 . . 4.960 3.858 3.385 4.475 . 0 0 "[ . 1 . 2 ]" 1
200 1 81 ILE MG 1 82 GLY H . . 3.970 4.113 3.989 4.288 0.318 20 0 "[ . 1 . 2 ]" 1
201 1 34 VAL QG 1 35 TYR HA . . 5.270 3.776 3.700 3.939 . 0 0 "[ . 1 . 2 ]" 1
202 1 34 VAL QG 1 82 GLY QA . . 5.330 3.620 3.291 4.108 . 0 0 "[ . 1 . 2 ]" 1
203 1 34 VAL QG 1 84 LEU HA . . 4.950 3.625 3.283 4.111 . 0 0 "[ . 1 . 2 ]" 1
204 1 17 ILE HA 1 34 VAL QG . . 5.190 4.230 3.919 4.473 . 0 0 "[ . 1 . 2 ]" 1
205 1 11 TYR HA 1 34 VAL QG . . 4.980 4.704 4.217 5.369 0.389 22 0 "[ . 1 . 2 ]" 1
206 1 38 THR HA 1 38 THR MG . . 3.340 3.190 3.132 3.221 . 0 0 "[ . 1 . 2 ]" 1
207 1 38 THR MG 1 39 LYS HA . . 4.400 3.410 3.236 3.571 . 0 0 "[ . 1 . 2 ]" 1
208 1 37 LEU H 1 38 THR MG . . 4.760 4.395 4.001 4.949 0.189 10 0 "[ . 1 . 2 ]" 1
209 1 26 THR HB 1 38 THR MG . . 4.220 4.428 4.204 4.701 0.481 10 0 "[ . 1 . 2 ]" 1
210 1 103 VAL QG 1 104 ASP H . . 3.800 3.164 2.739 3.563 . 0 0 "[ . 1 . 2 ]" 1
211 1 11 TYR QB 1 86 PRO QD . . 4.520 3.825 3.132 5.065 0.545 8 1 "[ . + 1 . 2 ]" 1
212 1 85 HIS HB3 1 86 PRO QD . . 4.720 2.667 1.981 3.936 . 0 0 "[ . 1 . 2 ]" 1
213 1 86 PRO QD 1 88 ASP H . . 4.630 4.354 4.189 4.544 . 0 0 "[ . 1 . 2 ]" 1
214 1 28 LEU HB2 1 55 ALA HA . . 5.500 4.818 4.098 5.931 0.431 19 0 "[ . 1 . 2 ]" 1
215 1 28 LEU HB3 1 59 ALA MB . . 5.110 3.985 3.048 4.555 . 0 0 "[ . 1 . 2 ]" 1
216 1 36 ASP HB2 1 81 ILE MG . . 4.510 2.771 2.199 3.319 . 0 0 "[ . 1 . 2 ]" 1
217 1 8 ASP HB3 1 9 VAL H . . 3.820 3.610 2.665 4.278 0.458 6 0 "[ . 1 . 2 ]" 1
218 1 95 PRO HD3 1 96 MET H . . 5.500 5.621 5.412 5.796 0.296 21 0 "[ . 1 . 2 ]" 1
219 1 103 VAL HA 1 103 VAL QG . . 2.650 2.258 2.219 2.302 . 0 0 "[ . 1 . 2 ]" 1
220 1 103 VAL HA 1 104 ASP H . . 3.130 3.112 2.812 3.353 0.223 12 0 "[ . 1 . 2 ]" 1
221 1 84 LEU HA 1 89 ARG QG . . 4.870 6.184 4.598 6.687 1.817 21 19 "[** **** ***-* .*****+**]" 1
222 1 75 LEU HG 1 79 PHE QD . . 4.740 4.229 3.618 4.961 0.221 17 0 "[ . 1 . 2 ]" 1
223 1 75 LEU HG 1 78 THR HB . . 5.500 5.442 4.127 6.493 0.993 14 5 "[ * 1 +. -* * ]" 1
224 1 45 PRO HA 1 46 GLY H . . 3.460 2.288 2.138 3.471 0.011 4 0 "[ . 1 . 2 ]" 1
225 1 11 TYR QE 1 85 HIS HA . . 4.620 4.035 2.266 4.735 0.115 15 0 "[ . 1 . 2 ]" 1
226 1 85 HIS HA 1 88 ASP H . . 5.020 4.518 4.334 4.725 . 0 0 "[ . 1 . 2 ]" 1
227 1 83 GLU QB 1 85 HIS HA . . 5.500 5.264 5.075 5.963 0.463 16 0 "[ . 1 . 2 ]" 1
228 1 85 HIS HB3 1 86 PRO HA . . 4.960 4.947 4.816 5.319 0.359 12 0 "[ . 1 . 2 ]" 1
229 1 103 VAL H 1 103 VAL HB . . 3.770 3.700 3.625 3.823 0.053 10 0 "[ . 1 . 2 ]" 1
230 1 103 VAL HB 1 104 ASP H . . 4.470 4.328 4.172 4.413 . 0 0 "[ . 1 . 2 ]" 1
231 1 26 THR MG 1 41 LEU QD . . 3.180 2.140 1.866 2.375 . 0 0 "[ . 1 . 2 ]" 1
232 1 41 LEU QD 1 48 GLU HA . . 3.940 3.800 3.234 4.293 0.353 19 0 "[ . 1 . 2 ]" 1
233 1 41 LEU HA 1 41 LEU QD . . 3.330 2.145 2.025 2.302 . 0 0 "[ . 1 . 2 ]" 1
234 1 41 LEU QD 1 51 LEU QB . . 3.550 2.222 2.040 2.411 . 0 0 "[ . 1 . 2 ]" 1
235 1 40 PHE H 1 41 LEU QD . . 4.100 3.740 3.527 4.067 . 0 0 "[ . 1 . 2 ]" 1
236 1 53 GLU HG3 1 54 GLN QG . . 3.100 2.071 1.803 2.526 . 0 0 "[ . 1 . 2 ]" 1
237 1 53 GLU H 1 54 GLN QG . . 4.110 4.090 3.629 4.490 0.380 9 0 "[ . 1 . 2 ]" 1
238 1 43 GLU HB2 1 44 HIS H . . 4.360 3.624 3.030 3.936 . 0 0 "[ . 1 . 2 ]" 1
239 1 34 VAL QG 1 83 GLU HA . . 4.450 2.369 2.117 2.753 . 0 0 "[ . 1 . 2 ]" 1
240 1 33 LYS HA 1 83 GLU HA . . 3.780 2.416 2.064 3.217 . 0 0 "[ . 1 . 2 ]" 1
241 1 33 LYS QG 1 83 GLU HA . . 4.590 4.191 3.394 5.666 1.076 22 2 "[ . 1 -. 2 + ]" 1
242 1 11 TYR QE 1 83 GLU QB . . 3.230 3.026 2.321 4.974 1.744 16 2 "[ . -1 .+ 2 ]" 1
243 1 48 GLU QB 1 49 GLU H . . 3.900 3.683 3.351 3.852 . 0 0 "[ . 1 . 2 ]" 1
244 1 48 GLU H 1 48 GLU QB . . 3.760 2.797 2.542 3.072 . 0 0 "[ . 1 . 2 ]" 1
245 1 48 GLU QB 1 49 GLU HA . . 4.910 4.454 3.979 4.809 . 0 0 "[ . 1 . 2 ]" 1
246 1 42 GLU HB2 1 48 GLU QB . . 5.180 5.284 4.658 5.830 0.650 7 2 "[ . + 1- . 2 ]" 1
247 1 42 GLU HB3 1 48 GLU QB . . 4.260 4.330 3.717 4.738 0.478 22 0 "[ . 1 . 2 ]" 1
248 1 14 LEU H 1 15 GLU HA . . 5.500 5.354 5.253 5.489 . 0 0 "[ . 1 . 2 ]" 1
249 1 40 PHE HA 1 79 PHE QE . . 5.000 5.743 5.003 6.373 1.373 20 18 "[* * *****1- **** **+***]" 1
250 1 27 TRP HE3 1 81 ILE MD . . 4.880 4.402 3.617 5.062 0.182 7 0 "[ . 1 . 2 ]" 1
251 1 61 GLU QB 1 62 ASN H . . 4.220 3.345 2.963 3.821 . 0 0 "[ . 1 . 2 ]" 1
252 1 53 GLU HA 1 54 GLN QG . . 4.850 4.876 4.480 5.287 0.437 3 0 "[ . 1 . 2 ]" 1
253 1 29 ILE HA 1 35 TYR QD . . 4.210 3.554 2.984 4.475 0.265 22 0 "[ . 1 . 2 ]" 1
254 1 41 LEU HA 1 48 GLU HA . . 4.550 4.096 3.760 4.702 0.152 19 0 "[ . 1 . 2 ]" 1
255 1 45 PRO HA 1 46 GLY QA . . 4.050 3.944 3.896 4.352 0.302 4 0 "[ . 1 . 2 ]" 1
256 1 26 THR HB 1 41 LEU QD . . 3.670 2.264 1.878 2.874 . 0 0 "[ . 1 . 2 ]" 1
257 1 26 THR HB 1 38 THR HB . . 3.440 3.202 2.887 3.531 0.091 20 0 "[ . 1 . 2 ]" 1
258 1 21 ASN HA 1 26 THR HB . . 4.860 5.464 4.805 6.298 1.438 8 12 "[ *.**+**** *. - ** ]" 1
259 1 26 THR HB 1 41 LEU HG . . 4.740 3.812 3.524 4.005 . 0 0 "[ . 1 . 2 ]" 1
260 1 102 THR H 1 102 THR HB . . 3.730 3.126 2.656 3.539 . 0 0 "[ . 1 . 2 ]" 1
261 1 102 THR HB 1 103 VAL H . . 4.210 4.017 3.438 4.405 0.195 22 0 "[ . 1 . 2 ]" 1
262 1 11 TYR HA 1 12 TYR HA . . 4.550 4.402 4.360 4.478 . 0 0 "[ . 1 . 2 ]" 1
263 1 12 TYR HA 1 16 GLU QB . . 5.500 4.138 3.724 5.223 . 0 0 "[ . 1 . 2 ]" 1
264 1 12 TYR HA 1 34 VAL QG . . 5.410 5.135 4.783 5.551 0.141 9 0 "[ . 1 . 2 ]" 1
265 1 40 PHE HA 1 44 HIS H . . 4.920 4.831 4.242 5.122 0.202 4 0 "[ . 1 . 2 ]" 1
266 1 62 ASN HA 1 64 GLU H . . 4.430 4.497 4.312 4.726 0.296 8 0 "[ . 1 . 2 ]" 1
267 1 14 LEU H 1 15 GLU H . . 3.340 2.755 2.621 2.959 . 0 0 "[ . 1 . 2 ]" 1
268 1 57 GLY HA3 1 58 ASP H . . 3.100 2.594 2.460 2.700 . 0 0 "[ . 1 . 2 ]" 1
269 1 57 GLY H 1 58 ASP H . . 4.560 4.406 4.314 4.445 . 0 0 "[ . 1 . 2 ]" 1
270 1 58 ASP HA 1 59 ALA H . . 3.330 2.131 2.100 2.173 . 0 0 "[ . 1 . 2 ]" 1
271 1 59 ALA H 1 62 ASN H . . 5.500 5.576 5.387 5.874 0.374 18 0 "[ . 1 . 2 ]" 1
272 1 59 ALA HA 1 62 ASN H . . 3.780 3.428 3.264 3.637 . 0 0 "[ . 1 . 2 ]" 1
273 1 59 ALA HA 1 63 PHE H . . 4.680 4.655 4.439 4.990 0.310 16 0 "[ . 1 . 2 ]" 1
274 1 63 PHE H 1 64 GLU H . . 3.550 2.812 2.708 2.916 . 0 0 "[ . 1 . 2 ]" 1
275 1 63 PHE H 1 65 ASP H . . 4.500 3.859 3.781 4.015 . 0 0 "[ . 1 . 2 ]" 1
276 1 62 ASN HA 1 65 ASP H . . 3.640 3.301 3.071 3.618 . 0 0 "[ . 1 . 2 ]" 1
277 1 64 GLU HA 1 66 VAL H . . 4.690 4.453 3.919 4.803 0.113 14 0 "[ . 1 . 2 ]" 1
278 1 64 GLU HA 1 67 GLY H . . 4.350 3.490 2.951 3.768 . 0 0 "[ . 1 . 2 ]" 1
279 1 65 ASP HA 1 67 GLY H . . 4.780 4.785 4.324 5.101 0.321 20 0 "[ . 1 . 2 ]" 1
280 1 64 GLU H 1 67 GLY H . . 5.350 4.837 4.570 5.084 . 0 0 "[ . 1 . 2 ]" 1
281 1 69 SER H 1 70 THR H . . 4.700 4.615 4.575 4.647 . 0 0 "[ . 1 . 2 ]" 1
282 1 70 THR H 1 70 THR MG . . 3.890 3.423 2.724 3.714 . 0 0 "[ . 1 . 2 ]" 1
283 1 70 THR MG 1 71 ASP H . . 3.900 4.051 3.662 4.341 0.441 13 0 "[ . 1 . 2 ]" 1
284 1 71 ASP H 1 71 ASP HB3 . . 3.290 2.599 2.290 3.495 0.205 9 0 "[ . 1 . 2 ]" 1
285 1 71 ASP H 1 71 ASP HB2 . . 3.290 2.540 2.186 2.850 . 0 0 "[ . 1 . 2 ]" 1
286 1 70 THR HB 1 71 ASP H . . 3.180 2.913 2.432 3.589 0.409 21 0 "[ . 1 . 2 ]" 1
287 1 71 ASP H 1 72 ALA H . . 3.490 2.526 2.316 2.744 . 0 0 "[ . 1 . 2 ]" 1
288 1 70 THR H 1 71 ASP H . . 3.720 2.701 2.546 2.840 . 0 0 "[ . 1 . 2 ]" 1
289 1 71 ASP HB2 1 72 ALA H . . 4.240 3.873 2.942 4.086 . 0 0 "[ . 1 . 2 ]" 1
290 1 71 ASP HB3 1 72 ALA H . . 4.240 2.785 2.488 3.386 . 0 0 "[ . 1 . 2 ]" 1
291 1 71 ASP H 1 73 ARG H . . 4.450 4.330 3.985 4.523 0.073 7 0 "[ . 1 . 2 ]" 1
292 1 73 ARG H 1 74 GLU H . . 3.370 2.603 2.450 2.679 . 0 0 "[ . 1 . 2 ]" 1
293 1 74 GLU H 1 75 LEU H . . 3.090 2.385 2.166 2.583 . 0 0 "[ . 1 . 2 ]" 1
294 1 75 LEU H 1 76 SER H . . 3.580 2.491 2.332 2.627 . 0 0 "[ . 1 . 2 ]" 1
295 1 76 SER H 1 77 LYS H . . 3.320 2.594 2.424 2.686 . 0 0 "[ . 1 . 2 ]" 1
296 1 74 GLU H 1 77 LYS H . . 5.130 5.207 4.688 5.515 0.385 2 0 "[ . 1 . 2 ]" 1
297 1 75 LEU H 1 77 LYS H . . 4.190 3.997 3.676 4.175 . 0 0 "[ . 1 . 2 ]" 1
298 1 77 LYS H 1 78 THR H . . 3.070 2.645 2.587 2.740 . 0 0 "[ . 1 . 2 ]" 1
299 1 76 SER H 1 78 THR H . . 4.350 4.429 4.206 4.600 0.250 16 0 "[ . 1 . 2 ]" 1
300 1 78 THR HA 1 79 PHE H . . 3.460 3.271 3.177 3.403 . 0 0 "[ . 1 . 2 ]" 1
301 1 78 THR H 1 79 PHE H . . 3.070 2.295 2.112 2.461 . 0 0 "[ . 1 . 2 ]" 1
302 1 78 THR HA 1 80 ILE H . . 4.300 3.816 3.468 4.109 . 0 0 "[ . 1 . 2 ]" 1
303 1 77 LYS HA 1 80 ILE H . . 3.690 3.766 3.450 4.153 0.463 14 0 "[ . 1 . 2 ]" 1
304 1 74 GLU HA 1 77 LYS H . . 3.910 3.652 3.410 3.875 . 0 0 "[ . 1 . 2 ]" 1
305 1 79 PHE H 1 80 ILE H . . 2.900 2.180 1.931 2.445 . 0 0 "[ . 1 . 2 ]" 1
306 1 78 THR H 1 80 ILE H . . 4.190 4.028 3.708 4.263 0.073 19 0 "[ . 1 . 2 ]" 1
307 1 81 ILE H 1 82 GLY H . . 2.990 1.973 1.859 2.124 . 0 0 "[ . 1 . 2 ]" 1
308 1 82 GLY QA 1 83 GLU H . . 3.170 2.246 2.202 2.268 . 0 0 "[ . 1 . 2 ]" 1
309 1 82 GLY H 1 83 GLU H . . 4.480 4.364 4.344 4.386 . 0 0 "[ . 1 . 2 ]" 1
310 1 83 GLU H 1 84 LEU H . . 4.600 4.391 4.302 4.436 . 0 0 "[ . 1 . 2 ]" 1
311 1 84 LEU H 1 85 HIS H . . 4.770 4.568 4.503 4.620 . 0 0 "[ . 1 . 2 ]" 1
312 1 87 ASP H 1 88 ASP H . . 3.190 2.555 2.424 2.707 . 0 0 "[ . 1 . 2 ]" 1
313 1 87 ASP HA 1 89 ARG H . . 4.410 3.659 3.490 3.973 . 0 0 "[ . 1 . 2 ]" 1
314 1 88 ASP H 1 89 ARG H . . 3.010 2.447 2.191 2.628 . 0 0 "[ . 1 . 2 ]" 1
315 1 87 ASP H 1 89 ARG H . . 3.970 3.882 3.677 4.146 0.176 3 0 "[ . 1 . 2 ]" 1
316 1 48 GLU H 1 49 GLU H . . 3.740 2.161 1.907 2.480 . 0 0 "[ . 1 . 2 ]" 1
317 1 49 GLU H 1 50 VAL H . . 3.550 2.756 2.527 2.933 . 0 0 "[ . 1 . 2 ]" 1
318 1 48 GLU H 1 50 VAL H . . 4.620 4.351 3.585 4.917 0.297 15 0 "[ . 1 . 2 ]" 1
319 1 50 VAL H 1 51 LEU H . . 3.680 2.619 2.501 2.692 . 0 0 "[ . 1 . 2 ]" 1
320 1 50 VAL HA 1 52 ARG H . . 4.700 4.670 4.468 4.815 0.115 18 0 "[ . 1 . 2 ]" 1
321 1 51 LEU H 1 52 ARG H . . 3.060 2.318 2.125 2.462 . 0 0 "[ . 1 . 2 ]" 1
322 1 50 VAL H 1 52 ARG H . . 4.180 4.375 4.221 4.570 0.390 4 0 "[ . 1 . 2 ]" 1
323 1 53 GLU H 1 53 GLU HA . . 2.860 2.885 2.857 2.910 0.050 6 0 "[ . 1 . 2 ]" 1
324 1 50 VAL HA 1 53 GLU H . . 4.070 3.861 3.761 4.008 . 0 0 "[ . 1 . 2 ]" 1
325 1 52 ARG H 1 53 GLU H . . 3.180 2.641 2.553 2.743 . 0 0 "[ . 1 . 2 ]" 1
326 1 51 LEU H 1 53 GLU H . . 4.040 3.731 3.629 3.895 . 0 0 "[ . 1 . 2 ]" 1
327 1 50 VAL H 1 53 GLU H . . 4.950 5.090 4.864 5.326 0.376 17 0 "[ . 1 . 2 ]" 1
328 1 53 GLU H 1 54 GLN H . . 3.060 2.440 2.346 2.518 . 0 0 "[ . 1 . 2 ]" 1
329 1 52 ARG H 1 54 GLN H . . 4.060 4.069 3.933 4.246 0.186 3 0 "[ . 1 . 2 ]" 1
330 1 53 GLU HA 1 54 GLN H . . 3.460 3.362 3.225 3.523 0.063 3 0 "[ . 1 . 2 ]" 1
331 1 52 ARG HA 1 54 GLN H . . 3.870 3.820 3.455 4.513 0.643 3 1 "[ + . 1 . 2 ]" 1
332 1 54 GLN H 1 55 ALA H . . 2.560 2.163 1.976 2.429 . 0 0 "[ . 1 . 2 ]" 1
333 1 53 GLU H 1 55 ALA H . . 4.150 3.886 3.644 4.222 0.072 17 0 "[ . 1 . 2 ]" 1
334 1 52 ARG H 1 55 ALA H . . 4.960 5.057 4.844 5.542 0.582 17 1 "[ . 1 . + 2 ]" 1
335 1 54 GLN HA 1 55 ALA H . . 3.470 3.187 3.068 3.345 . 0 0 "[ . 1 . 2 ]" 1
336 1 53 GLU HA 1 55 ALA H . . 4.180 3.738 3.548 3.873 . 0 0 "[ . 1 . 2 ]" 1
337 1 52 ARG HA 1 55 ALA H . . 3.350 3.428 3.194 3.721 0.371 6 0 "[ . 1 . 2 ]" 1
338 1 55 ALA H 1 56 GLY H . . 4.740 4.507 4.430 4.604 . 0 0 "[ . 1 . 2 ]" 1
339 1 55 ALA HA 1 56 GLY H . . 3.050 2.150 2.123 2.257 . 0 0 "[ . 1 . 2 ]" 1
340 1 55 ALA MB 1 56 GLY H . . 3.430 3.123 2.702 3.297 . 0 0 "[ . 1 . 2 ]" 1
341 1 55 ALA HA 1 57 GLY H . . 3.590 3.391 3.245 3.526 . 0 0 "[ . 1 . 2 ]" 1
342 1 56 GLY H 1 57 GLY H . . 2.860 2.408 2.290 2.633 . 0 0 "[ . 1 . 2 ]" 1
343 1 55 ALA H 1 57 GLY H . . 5.180 4.625 4.282 5.123 . 0 0 "[ . 1 . 2 ]" 1
344 1 20 HIS HA 1 21 ASN H . . 3.400 3.286 3.054 3.486 0.086 3 0 "[ . 1 . 2 ]" 1
345 1 20 HIS H 1 21 ASN H . . 3.570 2.176 1.707 2.604 . 0 0 "[ . 1 . 2 ]" 1
346 1 20 HIS HA 1 22 HIS H . . 3.870 4.580 3.677 5.630 1.760 5 13 "[ * +* ***** **-* 2 *]" 1
347 1 21 ASN H 1 22 HIS H . . 3.710 4.022 3.501 4.480 0.770 5 8 "[ * +* ** ** . 2 -]" 1
348 1 21 ASN HA 1 22 HIS H . . 3.040 2.303 2.102 2.639 . 0 0 "[ . 1 . 2 ]" 1
349 1 24 LYS HA 1 25 SER H . . 3.320 3.027 2.794 3.320 . 0 0 "[ . 1 . 2 ]" 1
350 1 22 HIS H 1 24 LYS H . . 4.530 4.545 4.220 5.235 0.705 4 1 "[ +. 1 . 2 ]" 1
351 1 24 LYS H 1 25 SER H . . 3.130 2.550 2.146 3.036 . 0 0 "[ . 1 . 2 ]" 1
352 1 22 HIS H 1 25 SER H . . 3.740 3.445 3.160 3.955 0.215 4 0 "[ . 1 . 2 ]" 1
353 1 23 SER H 1 25 SER H . . 3.070 3.317 2.465 4.286 1.216 7 9 "[ .*+*-** *. ** ]" 1
354 1 26 THR H 1 38 THR H . . 4.850 4.291 3.055 4.764 . 0 0 "[ . 1 . 2 ]" 1
355 1 47 GLY H 1 48 GLU H . . 4.490 4.334 4.209 4.551 0.061 10 0 "[ . 1 . 2 ]" 1
356 1 43 GLU H 1 44 HIS H . . 2.940 2.246 1.951 2.520 . 0 0 "[ . 1 . 2 ]" 1
357 1 34 VAL H 1 82 GLY H . . 3.880 3.789 3.539 4.056 0.176 2 0 "[ . 1 . 2 ]" 1
358 1 15 GLU H 1 16 GLU H . . 3.130 2.613 2.408 2.718 . 0 0 "[ . 1 . 2 ]" 1
359 1 14 LEU H 1 16 GLU H . . 4.300 3.955 3.821 4.200 . 0 0 "[ . 1 . 2 ]" 1
360 1 16 GLU H 1 17 ILE H . . 3.220 2.292 2.083 2.494 . 0 0 "[ . 1 . 2 ]" 1
361 1 16 GLU H 1 18 LYS H . . 3.860 3.714 3.512 3.976 0.116 7 0 "[ . 1 . 2 ]" 1
362 1 16 GLU H 1 19 LYS H . . 5.380 4.853 4.638 5.206 . 0 0 "[ . 1 . 2 ]" 1
363 1 8 ASP H 1 8 ASP HB3 . . 4.020 2.799 2.286 3.162 . 0 0 "[ . 1 . 2 ]" 1
364 1 8 ASP H 1 8 ASP HB2 . . 4.020 2.923 2.146 3.415 . 0 0 "[ . 1 . 2 ]" 1
365 1 8 ASP HB2 1 9 VAL H . . 3.820 4.023 3.715 4.593 0.773 22 2 "[ -. 1 . 2 + ]" 1
366 1 8 ASP HA 1 9 VAL H . . 2.400 2.338 2.123 2.683 0.283 8 0 "[ . 1 . 2 ]" 1
367 1 9 VAL H 1 10 LYS H . . 4.080 4.048 3.059 4.498 0.418 22 0 "[ . 1 . 2 ]" 1
368 1 9 VAL HA 1 10 LYS H . . 2.400 2.157 2.109 2.328 . 0 0 "[ . 1 . 2 ]" 1
369 1 10 LYS H 1 81 ILE HA . . 5.320 4.509 4.160 4.721 . 0 0 "[ . 1 . 2 ]" 1
370 1 7 LYS HA 1 8 ASP H . . 2.690 2.232 2.115 2.818 0.128 13 0 "[ . 1 . 2 ]" 1
371 1 12 TYR H 1 13 THR H . . 4.730 4.550 4.498 4.627 . 0 0 "[ . 1 . 2 ]" 1
372 1 72 ALA H 1 74 GLU H . . 4.260 3.962 3.812 4.173 . 0 0 "[ . 1 . 2 ]" 1
373 1 66 VAL H 1 67 GLY H . . 3.680 2.574 2.426 2.806 . 0 0 "[ . 1 . 2 ]" 1
374 1 42 GLU H 1 44 HIS H . . 4.400 4.122 3.983 4.442 0.042 11 0 "[ . 1 . 2 ]" 1
375 1 12 TYR H 1 83 GLU H . . 3.420 3.405 2.889 3.896 0.476 9 0 "[ . 1 . 2 ]" 1
376 1 38 THR H 1 39 LYS H . . 3.900 2.697 2.562 2.835 . 0 0 "[ . 1 . 2 ]" 1
377 1 62 ASN H 1 64 GLU H . . 4.040 4.238 3.846 4.630 0.590 8 1 "[ . + 1 . 2 ]" 1
378 1 25 SER H 1 26 THR H . . 3.720 2.255 1.851 3.547 . 0 0 "[ . 1 . 2 ]" 1
379 1 28 LEU H 1 35 TYR H . . 3.640 3.058 2.850 3.335 . 0 0 "[ . 1 . 2 ]" 1
380 1 11 TYR H 1 12 TYR H . . 4.470 4.286 4.045 4.514 0.044 13 0 "[ . 1 . 2 ]" 1
381 1 17 ILE H 1 18 LYS H . . 3.240 2.628 2.498 2.788 . 0 0 "[ . 1 . 2 ]" 1
382 1 37 LEU H 1 38 THR H . . 3.400 2.251 2.101 2.601 . 0 0 "[ . 1 . 2 ]" 1
383 1 41 LEU H 1 43 GLU H . . 3.990 3.810 3.649 3.992 0.002 11 0 "[ . 1 . 2 ]" 1
384 1 42 GLU H 1 43 GLU H . . 2.820 2.490 2.330 2.760 . 0 0 "[ . 1 . 2 ]" 1
385 1 29 ILE H 1 59 ALA H . . 3.640 3.664 3.343 3.960 0.320 5 0 "[ . 1 . 2 ]" 1
386 1 59 ALA H 1 60 THR H . . 3.510 2.470 2.184 2.665 . 0 0 "[ . 1 . 2 ]" 1
387 1 65 ASP H 1 66 VAL H . . 3.330 2.637 2.358 2.912 . 0 0 "[ . 1 . 2 ]" 1
388 1 40 PHE H 1 41 LEU H . . 2.910 2.047 1.856 2.220 . 0 0 "[ . 1 . 2 ]" 1
389 1 39 LYS H 1 40 PHE H . . 3.330 2.298 2.180 2.499 . 0 0 "[ . 1 . 2 ]" 1
390 1 40 PHE H 1 42 GLU H . . 5.100 4.532 4.313 4.915 . 0 0 "[ . 1 . 2 ]" 1
391 1 38 THR H 1 40 PHE H . . 4.210 4.034 3.834 4.266 0.056 8 0 "[ . 1 . 2 ]" 1
392 1 10 LYS H 1 83 GLU H . . 4.100 4.059 3.652 4.410 0.310 4 0 "[ . 1 . 2 ]" 1
393 1 62 ASN H 1 63 PHE H . . 3.110 2.389 2.070 2.727 . 0 0 "[ . 1 . 2 ]" 1
394 1 29 ILE H 1 57 GLY H . . 4.370 3.720 3.363 4.013 . 0 0 "[ . 1 . 2 ]" 1
395 1 18 LYS H 1 19 LYS H . . 3.160 2.597 2.412 2.821 . 0 0 "[ . 1 . 2 ]" 1
396 1 41 LEU H 1 42 GLU H . . 3.210 2.766 2.629 2.871 . 0 0 "[ . 1 . 2 ]" 1
397 1 60 THR H 1 61 GLU H . . 3.500 2.715 2.580 2.943 . 0 0 "[ . 1 . 2 ]" 1
398 1 19 LYS H 1 20 HIS H . . 2.940 2.065 1.769 2.570 . 0 0 "[ . 1 . 2 ]" 1
399 1 60 THR H 1 62 ASN H . . 4.070 4.289 3.950 4.556 0.486 18 0 "[ . 1 . 2 ]" 1
400 1 13 THR H 1 16 GLU H . . 4.200 4.053 3.768 4.311 0.111 16 0 "[ . 1 . 2 ]" 1
401 1 61 GLU H 1 62 ASN H . . 2.840 2.741 2.574 2.912 0.072 18 0 "[ . 1 . 2 ]" 1
402 1 40 PHE H 1 40 PHE QD . . 3.910 3.817 2.318 4.395 0.485 8 0 "[ . 1 . 2 ]" 1
403 1 22 HIS H 1 22 HIS HD2 . . 3.410 3.916 2.995 5.296 1.886 9 11 "[ * *- +* ** ** 2 **]" 1
404 1 19 LYS H 1 21 ASN H . . 4.200 3.774 3.405 4.459 0.259 7 0 "[ . 1 . 2 ]" 1
405 1 11 TYR H 1 11 TYR QD . . 3.530 2.630 2.201 3.253 . 0 0 "[ . 1 . 2 ]" 1
406 1 11 TYR QD 1 83 GLU H . . 4.180 3.949 2.944 4.542 0.362 22 0 "[ . 1 . 2 ]" 1
407 1 12 TYR QD 1 83 GLU H . . 4.470 3.879 3.274 4.634 0.164 9 0 "[ . 1 . 2 ]" 1
408 1 12 TYR H 1 12 TYR QD . . 3.390 2.850 2.422 3.341 . 0 0 "[ . 1 . 2 ]" 1
409 1 12 TYR QD 1 13 THR H . . 3.710 3.546 2.928 4.174 0.464 2 0 "[ . 1 . 2 ]" 1
410 1 12 TYR QD 1 82 GLY H . . 4.520 4.950 4.579 5.459 0.939 12 9 "[ * *** -1*+ *. 2 *]" 1
411 1 54 GLN QE 1 62 ASN QD . . 3.520 4.718 3.586 6.598 3.078 9 16 "[******* +1 -* **** ** ]" 1
412 1 54 GLN H 1 54 GLN QE . . 3.990 3.908 3.480 5.009 1.019 17 2 "[ .- 1 . + 2 ]" 1
413 1 35 TYR H 1 35 TYR QD . . 3.750 2.922 2.559 3.326 . 0 0 "[ . 1 . 2 ]" 1
414 1 35 TYR QD 1 79 PHE H . . 3.710 3.501 3.308 3.721 0.011 23 0 "[ . 1 . 2 ]" 1
415 1 21 ASN H 1 21 ASN QD . . 4.240 3.843 3.406 4.094 . 0 0 "[ . 1 . 2 ]" 1
416 1 12 TYR QE 1 83 GLU H . . 5.180 4.935 4.082 6.194 1.014 8 4 "[ - . + 1 * . * 2 ]" 1
417 1 12 TYR QE 1 82 GLY H . . 4.680 4.384 3.626 5.417 0.737 8 2 "[ . + 1 - . 2 ]" 1
418 1 30 LEU H 1 35 TYR QE . . 3.340 3.009 2.403 3.845 0.505 22 1 "[ . 1 . 2 + ]" 1
419 1 47 GLY HA2 1 49 GLU H . . 4.670 4.014 3.812 4.247 . 0 0 "[ . 1 . 2 ]" 1
420 1 27 TRP HA 1 37 LEU H . . 3.940 3.312 3.122 3.903 . 0 0 "[ . 1 . 2 ]" 1
421 1 27 TRP HA 1 28 LEU H . . 3.120 2.215 2.124 2.299 . 0 0 "[ . 1 . 2 ]" 1
422 1 11 TYR HA 1 83 GLU H . . 3.670 2.583 2.316 2.880 . 0 0 "[ . 1 . 2 ]" 1
423 1 11 TYR HA 1 12 TYR H . . 2.980 2.139 2.088 2.255 . 0 0 "[ . 1 . 2 ]" 1
424 1 40 PHE HA 1 43 GLU H . . 3.830 3.150 3.039 3.505 . 0 0 "[ . 1 . 2 ]" 1
425 1 40 PHE HA 1 42 GLU H . . 4.680 3.993 3.706 4.281 . 0 0 "[ . 1 . 2 ]" 1
426 1 65 ASP H 1 65 ASP QB . . 3.090 2.261 2.235 2.332 . 0 0 "[ . 1 . 2 ]" 1
427 1 65 ASP QB 1 66 VAL H . . 3.690 2.420 2.198 2.705 . 0 0 "[ . 1 . 2 ]" 1
428 1 7 LYS H 1 7 LYS QD . . 3.510 4.073 3.548 4.587 1.077 22 12 "[ ***. * ** **.** -2 + ]" 1
429 1 7 LYS H 1 7 LYS HB2 . . 2.830 2.622 2.355 2.800 . 0 0 "[ . 1 . 2 ]" 1
430 1 7 LYS H 1 7 LYS HB3 . . 3.810 3.734 3.483 3.817 0.007 10 0 "[ . 1 . 2 ]" 1
431 1 7 LYS HB3 1 8 ASP H . . 3.840 3.714 2.920 4.404 0.564 13 1 "[ . 1 + . 2 ]" 1
432 1 7 LYS HB2 1 8 ASP H . . 4.710 4.353 3.942 4.605 . 0 0 "[ . 1 . 2 ]" 1
433 1 7 LYS QD 1 8 ASP H . . 4.840 3.817 3.355 4.770 . 0 0 "[ . 1 . 2 ]" 1
434 1 12 TYR HA 1 13 THR H . . 2.850 2.354 2.238 2.481 . 0 0 "[ . 1 . 2 ]" 1
435 1 13 THR H 1 13 THR MG . . 3.370 3.483 3.147 3.780 0.410 15 0 "[ . 1 . 2 ]" 1
436 1 11 TYR QB 1 12 TYR H . . 4.020 3.554 3.210 3.786 . 0 0 "[ . 1 . 2 ]" 1
437 1 12 TYR H 1 12 TYR QB . . 3.320 2.400 2.212 2.596 . 0 0 "[ . 1 . 2 ]" 1
438 1 13 THR H 1 16 GLU QB . . 3.530 2.447 2.031 3.592 0.062 7 0 "[ . 1 . 2 ]" 1
439 1 13 THR H 1 14 LEU H . . 4.680 4.578 4.547 4.619 . 0 0 "[ . 1 . 2 ]" 1
440 1 10 LYS H 1 82 GLY QA . . 3.170 2.172 1.868 2.537 . 0 0 "[ . 1 . 2 ]" 1
441 1 13 THR HA 1 15 GLU H . . 4.320 4.378 4.169 4.640 0.320 14 0 "[ . 1 . 2 ]" 1
442 1 13 THR HA 1 16 GLU H . . 4.450 4.531 4.401 4.659 0.209 4 0 "[ . 1 . 2 ]" 1
443 1 13 THR MG 1 14 LEU H . . 3.910 2.588 2.053 2.963 . 0 0 "[ . 1 . 2 ]" 1
444 1 9 VAL QG 1 10 LYS H . . 2.980 3.080 2.681 3.499 0.519 3 1 "[ + . 1 . 2 ]" 1
445 1 10 LYS H 1 10 LYS QB . . 2.710 2.347 2.240 2.493 . 0 0 "[ . 1 . 2 ]" 1
446 1 14 LEU HA 1 17 ILE H . . 4.110 3.669 3.426 3.930 . 0 0 "[ . 1 . 2 ]" 1
447 1 14 LEU HA 1 18 LYS H . . 4.500 4.324 3.856 4.781 0.281 14 0 "[ . 1 . 2 ]" 1
448 1 15 GLU HA 1 18 LYS H . . 3.970 3.840 3.550 4.180 0.210 16 0 "[ . 1 . 2 ]" 1
449 1 17 ILE H 1 19 LYS H . . 4.430 3.978 3.819 4.168 . 0 0 "[ . 1 . 2 ]" 1
450 1 17 ILE HA 1 19 LYS H . . 3.900 3.621 3.427 3.863 . 0 0 "[ . 1 . 2 ]" 1
451 1 22 HIS H 1 26 THR H . . 4.860 4.277 3.830 4.979 0.119 4 0 "[ . 1 . 2 ]" 1
452 1 27 TRP QB 1 28 LEU H . . 3.510 2.882 2.673 3.498 . 0 0 "[ . 1 . 2 ]" 1
453 1 14 LEU H 1 14 LEU QD . . 3.450 3.530 2.112 3.724 0.274 16 0 "[ . 1 . 2 ]" 1
454 1 14 LEU H 1 14 LEU HB3 . . 3.790 2.669 2.420 3.528 . 0 0 "[ . 1 . 2 ]" 1
455 1 14 LEU H 1 14 LEU HB2 . . 3.790 2.399 2.231 2.562 . 0 0 "[ . 1 . 2 ]" 1
456 1 14 LEU QD 1 15 GLU H . . 3.850 3.855 3.490 4.044 0.194 5 0 "[ . 1 . 2 ]" 1
457 1 13 THR MG 1 15 GLU H . . 4.100 3.463 2.682 4.109 0.009 9 0 "[ . 1 . 2 ]" 1
458 1 27 TRP H 1 27 TRP QB . . 3.870 2.429 2.323 2.543 . 0 0 "[ . 1 . 2 ]" 1
459 1 27 TRP H 1 56 GLY H . . 4.320 4.068 3.774 4.408 0.088 15 0 "[ . 1 . 2 ]" 1
460 1 27 TRP H 1 28 LEU H . . 4.750 4.491 4.300 4.528 . 0 0 "[ . 1 . 2 ]" 1
461 1 27 TRP H 1 55 ALA HA . . 4.620 4.542 4.080 4.979 0.359 15 0 "[ . 1 . 2 ]" 1
462 1 27 TRP H 1 55 ALA MB . . 4.010 3.588 3.152 4.413 0.403 19 0 "[ . 1 . 2 ]" 1
463 1 28 LEU H 1 29 ILE H . . 4.570 4.436 4.342 4.508 . 0 0 "[ . 1 . 2 ]" 1
464 1 11 TYR H 1 11 TYR QB . . 3.330 2.259 2.153 2.415 . 0 0 "[ . 1 . 2 ]" 1
465 1 12 TYR H 1 84 LEU HA . . 3.930 3.510 2.893 4.935 1.005 9 2 "[ . +- . 2 ]" 1
466 1 15 GLU H 1 18 LYS H . . 5.080 5.160 4.845 5.413 0.333 14 0 "[ . 1 . 2 ]" 1
467 1 17 ILE HA 1 20 HIS H . . 4.120 3.713 3.250 4.362 0.242 4 0 "[ . 1 . 2 ]" 1
468 1 29 ILE H 1 58 ASP HA . . 3.590 3.244 2.778 3.554 . 0 0 "[ . 1 . 2 ]" 1
469 1 30 LEU HA 1 31 HIS H . . 3.470 2.137 2.112 2.159 . 0 0 "[ . 1 . 2 ]" 1
470 1 34 VAL H 1 83 GLU HA . . 3.810 2.381 2.003 2.870 . 0 0 "[ . 1 . 2 ]" 1
471 1 39 LYS H 1 41 LEU H . . 4.300 4.034 3.904 4.210 . 0 0 "[ . 1 . 2 ]" 1
472 1 37 LEU H 1 39 LYS H . . 5.140 4.576 4.361 4.869 . 0 0 "[ . 1 . 2 ]" 1
473 1 85 HIS H 1 88 ASP H . . 4.970 4.357 3.841 5.022 0.052 3 0 "[ . 1 . 2 ]" 1
474 1 58 ASP H 1 58 ASP HB3 . . 3.790 2.547 2.288 2.906 . 0 0 "[ . 1 . 2 ]" 1
475 1 58 ASP H 1 58 ASP HB2 . . 3.790 2.841 2.556 3.764 . 0 0 "[ . 1 . 2 ]" 1
476 1 58 ASP HB3 1 59 ALA H . . 4.230 4.237 4.107 4.406 0.176 21 0 "[ . 1 . 2 ]" 1
477 1 58 ASP HB2 1 59 ALA H . . 4.230 4.194 2.950 4.497 0.267 18 0 "[ . 1 . 2 ]" 1
478 1 30 LEU HA 1 60 THR H . . 4.230 3.528 3.276 4.311 0.081 12 0 "[ . 1 . 2 ]" 1
479 1 58 ASP HA 1 60 THR H . . 4.130 3.617 3.345 3.914 . 0 0 "[ . 1 . 2 ]" 1
480 1 61 GLU H 1 61 GLU HG2 . . 3.760 2.062 1.719 3.253 . 0 0 "[ . 1 . 2 ]" 1
481 1 61 GLU H 1 61 GLU HG3 . . 3.760 2.771 1.620 3.445 . 0 0 "[ . 1 . 2 ]" 1
482 1 61 GLU HG2 1 62 ASN H . . 3.980 3.102 2.325 4.154 0.174 4 0 "[ . 1 . 2 ]" 1
483 1 61 GLU HG3 1 62 ASN H . . 3.980 2.319 1.797 3.383 . 0 0 "[ . 1 . 2 ]" 1
484 1 61 GLU H 1 63 PHE H . . 4.270 4.071 3.867 4.385 0.115 12 0 "[ . 1 . 2 ]" 1
485 1 59 ALA HA 1 61 GLU H . . 4.150 3.549 3.271 3.856 . 0 0 "[ . 1 . 2 ]" 1
486 1 79 PHE H 1 79 PHE QB . . 3.340 2.456 2.273 2.572 . 0 0 "[ . 1 . 2 ]" 1
487 1 79 PHE QB 1 80 ILE H . . 4.090 3.237 2.893 3.607 . 0 0 "[ . 1 . 2 ]" 1
488 1 74 GLU H 1 76 SER H . . 4.430 3.934 3.691 4.172 . 0 0 "[ . 1 . 2 ]" 1
489 1 61 GLU HA 1 65 ASP H . . 4.710 4.355 3.852 4.914 0.204 12 0 "[ . 1 . 2 ]" 1
490 1 73 ARG HA 1 76 SER H . . 4.140 3.447 3.246 3.684 . 0 0 "[ . 1 . 2 ]" 1
491 1 73 ARG HA 1 77 LYS H . . 5.490 5.276 4.455 5.850 0.360 12 0 "[ . 1 . 2 ]" 1
492 1 71 ASP HA 1 74 GLU H . . 3.960 3.484 3.265 3.654 . 0 0 "[ . 1 . 2 ]" 1
493 1 73 ARG H 1 73 ARG QD . . 4.460 3.831 3.710 4.016 . 0 0 "[ . 1 . 2 ]" 1
494 1 73 ARG H 1 73 ARG HB3 . . 3.970 2.716 2.578 2.818 . 0 0 "[ . 1 . 2 ]" 1
495 1 73 ARG H 1 73 ARG QG . . 4.150 2.018 1.856 2.257 . 0 0 "[ . 1 . 2 ]" 1
496 1 73 ARG HB3 1 74 GLU H . . 4.240 4.188 4.063 4.303 0.063 15 0 "[ . 1 . 2 ]" 1
497 1 73 ARG HB2 1 74 GLU H . . 4.240 3.917 3.669 4.218 . 0 0 "[ . 1 . 2 ]" 1
498 1 74 GLU H 1 74 GLU QG . . 2.860 2.545 2.360 2.776 . 0 0 "[ . 1 . 2 ]" 1
499 1 73 ARG QD 1 74 GLU H . . 4.190 3.079 2.893 3.339 . 0 0 "[ . 1 . 2 ]" 1
500 1 72 ALA H 1 73 ARG H . . 3.570 2.752 2.634 2.847 . 0 0 "[ . 1 . 2 ]" 1
501 1 75 LEU HA 1 77 LYS H . . 4.180 3.615 3.484 3.938 . 0 0 "[ . 1 . 2 ]" 1
502 1 75 LEU HA 1 78 THR H . . 4.150 4.127 3.839 4.286 0.136 9 0 "[ . 1 . 2 ]" 1
503 1 77 LYS HA 1 79 PHE H . . 4.120 3.715 3.471 4.122 0.002 16 0 "[ . 1 . 2 ]" 1
504 1 80 ILE H 1 81 ILE H . . 4.610 4.480 4.401 4.539 . 0 0 "[ . 1 . 2 ]" 1
505 1 9 VAL H 1 10 LYS HA . . 4.760 4.784 4.133 5.385 0.625 9 2 "[ . +1 . 2 - ]" 1
506 1 22 HIS H 1 26 THR HA . . 3.620 3.406 2.924 4.133 0.513 4 1 "[ +. 1 . 2 ]" 1
507 1 25 SER HA 1 26 THR H . . 3.400 2.799 2.227 2.986 . 0 0 "[ . 1 . 2 ]" 1
508 1 55 ALA H 1 55 ALA MB . . 2.490 2.233 2.220 2.266 . 0 0 "[ . 1 . 2 ]" 1
509 1 18 LYS H 1 20 HIS H . . 4.380 4.186 3.921 4.603 0.223 4 0 "[ . 1 . 2 ]" 1
510 1 17 ILE H 1 17 ILE QG . . 3.220 1.801 1.619 2.048 . 0 0 "[ . 1 . 2 ]" 1
511 1 17 ILE QG 1 18 LYS H . . 3.360 2.289 1.775 2.588 . 0 0 "[ . 1 . 2 ]" 1
512 1 17 ILE MD 1 56 GLY H . . 4.370 4.796 4.239 6.053 1.683 9 9 "[ **. * +*- .* *2 * ]" 1
513 1 17 ILE MD 1 57 GLY H . . 3.900 4.622 3.519 6.071 2.171 9 14 "[ ***.** +* * *** *2-* ]" 1
514 1 16 GLU H 1 17 ILE QG . . 4.200 3.270 2.966 3.535 . 0 0 "[ . 1 . 2 ]" 1
515 1 16 GLU HA 1 19 LYS H . . 3.950 3.808 3.501 4.290 0.340 22 0 "[ . 1 . 2 ]" 1
516 1 15 GLU H 1 17 ILE QG . . 4.870 4.464 4.269 4.777 . 0 0 "[ . 1 . 2 ]" 1
517 1 14 LEU H 1 17 ILE QG . . 5.150 4.367 4.152 4.689 . 0 0 "[ . 1 . 2 ]" 1
518 1 88 ASP H 1 88 ASP HB3 . . 4.060 3.636 3.569 3.736 . 0 0 "[ . 1 . 2 ]" 1
519 1 14 LEU H 1 88 ASP HB3 . . 5.280 4.051 3.275 5.993 0.713 9 1 "[ . +1 . 2 ]" 1
520 1 14 LEU H 1 88 ASP HB2 . . 5.280 4.065 3.531 5.661 0.381 9 0 "[ . 1 . 2 ]" 1
521 1 15 GLU QG 1 16 GLU H . . 3.400 2.833 2.401 3.174 . 0 0 "[ . 1 . 2 ]" 1
522 1 16 GLU H 1 16 GLU QB . . 3.110 2.323 2.143 2.535 . 0 0 "[ . 1 . 2 ]" 1
523 1 13 THR H 1 17 ILE MG . . 4.790 3.981 3.528 4.274 . 0 0 "[ . 1 . 2 ]" 1
524 1 84 LEU HA 1 85 HIS H . . 3.420 2.285 2.141 2.511 . 0 0 "[ . 1 . 2 ]" 1
525 1 13 THR MG 1 16 GLU H . . 4.510 4.303 3.706 4.646 0.136 6 0 "[ . 1 . 2 ]" 1
526 1 13 THR MG 1 85 HIS H . . 4.960 4.623 4.083 5.525 0.565 9 1 "[ . +1 . 2 ]" 1
527 1 34 VAL H 1 34 VAL QG . . 3.460 2.194 1.978 2.305 . 0 0 "[ . 1 . 2 ]" 1
528 1 12 TYR H 1 83 GLU QB . . 4.930 4.799 4.395 6.242 1.312 9 1 "[ . +1 . 2 ]" 1
529 1 10 LYS QB 1 12 TYR H . . 5.500 4.738 3.903 5.363 . 0 0 "[ . 1 . 2 ]" 1
530 1 11 TYR HA 1 85 HIS H . . 5.500 5.108 4.757 5.596 0.096 10 0 "[ . 1 . 2 ]" 1
531 1 9 VAL QG 1 83 GLU H . . 3.800 2.873 2.583 3.181 . 0 0 "[ . 1 . 2 ]" 1
532 1 62 ASN H 1 65 ASP H . . 5.030 4.567 4.426 4.694 . 0 0 "[ . 1 . 2 ]" 1
533 1 69 SER HA 1 71 ASP H . . 4.450 4.323 4.007 4.643 0.193 2 0 "[ . 1 . 2 ]" 1
534 1 72 ALA HA 1 75 LEU H . . 4.110 3.445 3.233 3.602 . 0 0 "[ . 1 . 2 ]" 1
535 1 85 HIS H 1 85 HIS HB2 . . 3.790 2.260 2.047 2.686 . 0 0 "[ . 1 . 2 ]" 1
536 1 85 HIS H 1 85 HIS HB3 . . 3.800 3.413 2.680 3.629 . 0 0 "[ . 1 . 2 ]" 1
537 1 88 ASP H 1 88 ASP HB2 . . 4.060 2.451 2.304 2.578 . 0 0 "[ . 1 . 2 ]" 1
538 1 12 TYR H 1 85 HIS H . . 4.680 4.556 3.920 5.821 1.141 9 4 "[ . *+* .- 2 ]" 1
539 1 85 HIS HB2 1 88 ASP H . . 4.170 3.263 2.386 4.594 0.424 3 0 "[ . 1 . 2 ]" 1
540 1 88 ASP HB3 1 89 ARG H . . 4.510 4.302 4.059 4.425 . 0 0 "[ . 1 . 2 ]" 1
541 1 85 HIS HB3 1 89 ARG H . . 5.020 5.081 4.646 5.952 0.932 8 2 "[ . + 1 - . 2 ]" 1
542 1 85 HIS HB3 1 88 ASP H . . 4.020 2.940 2.352 3.825 . 0 0 "[ . 1 . 2 ]" 1
543 1 40 PHE H 1 40 PHE QB . . 3.210 2.477 2.282 2.618 . 0 0 "[ . 1 . 2 ]" 1
544 1 40 PHE QB 1 41 LEU H . . 4.080 3.441 3.276 3.585 . 0 0 "[ . 1 . 2 ]" 1
545 1 41 LEU H 1 41 LEU HG . . 2.800 2.077 1.883 2.440 . 0 0 "[ . 1 . 2 ]" 1
546 1 41 LEU H 1 41 LEU QB . . 3.110 2.536 2.355 2.652 . 0 0 "[ . 1 . 2 ]" 1
547 1 41 LEU H 1 41 LEU QD . . 3.410 2.966 2.841 3.174 . 0 0 "[ . 1 . 2 ]" 1
548 1 42 GLU H 1 42 GLU QG . . 2.770 1.874 1.694 2.164 . 0 0 "[ . 1 . 2 ]" 1
549 1 41 LEU QB 1 42 GLU H . . 2.500 2.416 2.210 2.575 0.075 10 0 "[ . 1 . 2 ]" 1
550 1 42 GLU H 1 42 GLU HB3 . . 2.800 2.790 2.636 2.939 0.139 23 0 "[ . 1 . 2 ]" 1
551 1 41 LEU QD 1 42 GLU H . . 4.340 3.943 3.837 4.071 . 0 0 "[ . 1 . 2 ]" 1
552 1 42 GLU QG 1 43 GLU H . . 3.290 2.863 2.359 3.472 0.182 11 0 "[ . 1 . 2 ]" 1
553 1 43 GLU H 1 43 GLU HB2 . . 3.520 2.585 2.399 2.798 . 0 0 "[ . 1 . 2 ]" 1
554 1 43 GLU H 1 43 GLU HB3 . . 3.520 3.694 3.614 3.779 0.259 12 0 "[ . 1 . 2 ]" 1
555 1 86 PRO QD 1 87 ASP H . . 3.720 2.877 2.778 3.057 . 0 0 "[ . 1 . 2 ]" 1
556 1 12 TYR H 1 12 TYR QE . . 5.410 4.749 4.393 5.316 . 0 0 "[ . 1 . 2 ]" 1
557 1 13 THR HB 1 14 LEU H . . 3.590 3.060 2.612 3.481 . 0 0 "[ . 1 . 2 ]" 1
558 1 48 GLU HA 1 51 LEU H . . 4.410 3.337 3.167 3.506 . 0 0 "[ . 1 . 2 ]" 1
559 1 48 GLU HA 1 52 ARG H . . 4.660 4.247 3.974 4.566 . 0 0 "[ . 1 . 2 ]" 1
560 1 48 GLU H 1 48 GLU QG . . 3.360 2.165 1.840 3.137 . 0 0 "[ . 1 . 2 ]" 1
561 1 48 GLU H 1 49 GLU HB2 . . 4.720 4.194 3.859 4.506 . 0 0 "[ . 1 . 2 ]" 1
562 1 48 GLU QG 1 49 GLU H . . 3.660 2.676 2.285 3.425 . 0 0 "[ . 1 . 2 ]" 1
563 1 49 GLU H 1 49 GLU HB2 . . 3.450 2.375 2.070 2.646 . 0 0 "[ . 1 . 2 ]" 1
564 1 49 GLU H 1 49 GLU QG . . 4.090 4.024 3.905 4.069 . 0 0 "[ . 1 . 2 ]" 1
565 1 49 GLU H 1 49 GLU HB3 . . 3.450 2.687 2.418 3.126 . 0 0 "[ . 1 . 2 ]" 1
566 1 26 THR H 1 26 THR MG . . 3.960 3.731 3.625 3.891 . 0 0 "[ . 1 . 2 ]" 1
567 1 26 THR MG 1 27 TRP H . . 3.500 3.351 3.077 3.719 0.219 6 0 "[ . 1 . 2 ]" 1
568 1 26 THR H 1 26 THR HB . . 3.640 2.731 2.542 2.961 . 0 0 "[ . 1 . 2 ]" 1
569 1 22 HIS HB2 1 25 SER H . . 3.930 3.857 3.148 4.756 0.826 4 2 "[ +. 1 .- 2 ]" 1
570 1 24 LYS H 1 24 LYS HB2 . . 3.900 3.668 3.526 3.731 . 0 0 "[ . 1 . 2 ]" 1
571 1 24 LYS H 1 24 LYS HB3 . . 3.900 3.052 2.845 3.283 . 0 0 "[ . 1 . 2 ]" 1
572 1 24 LYS H 1 24 LYS QD . . 4.010 3.453 2.070 4.071 0.061 3 0 "[ . 1 . 2 ]" 1
573 1 22 HIS H 1 22 HIS HB2 . . 3.810 2.609 2.363 2.838 . 0 0 "[ . 1 . 2 ]" 1
574 1 22 HIS H 1 22 HIS HB3 . . 3.750 3.750 3.587 3.877 0.127 5 0 "[ . 1 . 2 ]" 1
575 1 21 ASN H 1 21 ASN QB . . 3.350 2.657 2.533 2.863 . 0 0 "[ . 1 . 2 ]" 1
576 1 20 HIS QB 1 21 ASN H . . 4.200 3.320 2.954 3.656 . 0 0 "[ . 1 . 2 ]" 1
577 1 20 HIS QB 1 22 HIS H . . 4.580 4.510 3.854 5.333 0.753 5 2 "[ - + 1 . 2 ]" 1
578 1 21 ASN QB 1 22 HIS H . . 5.380 3.767 3.263 4.016 . 0 0 "[ . 1 . 2 ]" 1
579 1 19 LYS HA 1 20 HIS H . . 3.470 3.252 2.880 3.499 0.029 8 0 "[ . 1 . 2 ]" 1
580 1 20 HIS H 1 20 HIS QB . . 3.240 2.294 2.045 2.531 . 0 0 "[ . 1 . 2 ]" 1
581 1 19 LYS H 1 19 LYS QE . . 4.730 4.663 3.865 5.585 0.855 2 4 "[ +* * 1 - 2 ]" 1
582 1 18 LYS H 1 18 LYS QB . . 3.910 2.581 2.119 2.788 . 0 0 "[ . 1 . 2 ]" 1
583 1 18 LYS H 1 18 LYS QG . . 2.950 2.318 2.068 3.137 0.187 13 0 "[ . 1 . 2 ]" 1
584 1 17 ILE H 1 17 ILE HB . . 3.790 3.619 3.591 3.643 . 0 0 "[ . 1 . 2 ]" 1
585 1 17 ILE H 1 17 ILE MG . . 3.670 2.506 2.362 2.731 . 0 0 "[ . 1 . 2 ]" 1
586 1 16 GLU H 1 16 GLU QG . . 4.060 3.853 2.424 4.195 0.135 18 0 "[ . 1 . 2 ]" 1
587 1 16 GLU QG 1 17 ILE H . . 4.560 3.641 2.361 4.520 . 0 0 "[ . 1 . 2 ]" 1
588 1 15 GLU H 1 15 GLU QG . . 3.380 2.463 2.222 3.014 . 0 0 "[ . 1 . 2 ]" 1
589 1 15 GLU H 1 15 GLU QB . . 2.690 2.676 2.454 2.824 0.134 18 0 "[ . 1 . 2 ]" 1
590 1 10 LYS H 1 10 LYS QE . . 5.500 4.850 4.056 6.107 0.607 13 1 "[ . 1 + . 2 ]" 1
591 1 10 LYS H 1 10 LYS QG . . 4.190 3.723 2.448 4.057 . 0 0 "[ . 1 . 2 ]" 1
592 1 28 LEU H 1 28 LEU QD . . 4.710 3.576 2.742 3.991 . 0 0 "[ . 1 . 2 ]" 1
593 1 29 ILE H 1 29 ILE HB . . 3.440 2.576 2.447 2.810 . 0 0 "[ . 1 . 2 ]" 1
594 1 29 ILE H 1 29 ILE MG . . 4.490 3.813 3.753 3.851 . 0 0 "[ . 1 . 2 ]" 1
595 1 29 ILE H 1 29 ILE HG13 . . 4.960 2.696 2.062 3.812 . 0 0 "[ . 1 . 2 ]" 1
596 1 29 ILE HA 1 30 LEU H . . 3.210 2.115 2.094 2.134 . 0 0 "[ . 1 . 2 ]" 1
597 1 30 LEU H 1 30 LEU QD . . 4.080 3.535 3.352 3.673 . 0 0 "[ . 1 . 2 ]" 1
598 1 31 HIS H 1 60 THR HA . . 4.460 3.476 2.479 4.153 . 0 0 "[ . 1 . 2 ]" 1
599 1 31 HIS H 1 32 HIS H . . 4.090 2.531 2.449 2.624 . 0 0 "[ . 1 . 2 ]" 1
600 1 35 TYR H 1 35 TYR HB2 . . 4.060 2.563 2.490 2.673 . 0 0 "[ . 1 . 2 ]" 1
601 1 34 VAL H 1 34 VAL HB . . 3.690 2.679 2.605 2.841 . 0 0 "[ . 1 . 2 ]" 1
602 1 36 ASP HA 1 37 LEU H . . 3.300 2.121 2.080 2.174 . 0 0 "[ . 1 . 2 ]" 1
603 1 36 ASP HB3 1 37 LEU H . . 4.580 4.335 4.144 4.494 . 0 0 "[ . 1 . 2 ]" 1
604 1 35 TYR HB3 1 37 LEU H . . 4.860 5.113 4.658 5.447 0.587 11 3 "[ - * 1+ . 2 ]" 1
605 1 36 ASP HB2 1 37 LEU H . . 5.350 4.298 4.062 4.484 . 0 0 "[ . 1 . 2 ]" 1
606 1 38 THR H 1 38 THR HB . . 3.630 2.316 2.181 2.506 . 0 0 "[ . 1 . 2 ]" 1
607 1 38 THR H 1 38 THR MG . . 3.550 2.492 2.199 2.824 . 0 0 "[ . 1 . 2 ]" 1
608 1 36 ASP HA 1 38 THR H . . 4.010 3.508 3.356 3.652 . 0 0 "[ . 1 . 2 ]" 1
609 1 38 THR HB 1 39 LYS H . . 4.010 4.004 3.797 4.078 0.068 15 0 "[ . 1 . 2 ]" 1
610 1 39 LYS H 1 39 LYS HB2 . . 3.830 2.381 2.284 2.480 . 0 0 "[ . 1 . 2 ]" 1
611 1 39 LYS H 1 39 LYS HB3 . . 3.830 3.573 3.366 3.682 . 0 0 "[ . 1 . 2 ]" 1
612 1 39 LYS H 1 39 LYS QG . . 4.140 3.179 2.621 3.585 . 0 0 "[ . 1 . 2 ]" 1
613 1 39 LYS H 1 39 LYS QD . . 4.720 4.235 3.743 4.566 . 0 0 "[ . 1 . 2 ]" 1
614 1 50 VAL H 1 50 VAL HB . . 3.680 3.621 3.604 3.638 . 0 0 "[ . 1 . 2 ]" 1
615 1 50 VAL H 1 50 VAL MG1 . . 3.930 2.310 2.161 2.526 . 0 0 "[ . 1 . 2 ]" 1
616 1 61 GLU H 1 62 ASN QB . . 5.150 4.534 4.238 4.909 . 0 0 "[ . 1 . 2 ]" 1
617 1 51 LEU H 1 51 LEU QB . . 3.860 2.466 2.403 2.517 . 0 0 "[ . 1 . 2 ]" 1
618 1 52 ARG H 1 52 ARG QB . . 3.150 2.587 2.225 2.748 . 0 0 "[ . 1 . 2 ]" 1
619 1 53 GLU H 1 53 GLU QB . . 2.660 2.624 2.428 2.823 0.163 17 0 "[ . 1 . 2 ]" 1
620 1 53 GLU H 1 53 GLU HG3 . . 3.670 3.041 2.546 3.486 . 0 0 "[ . 1 . 2 ]" 1
621 1 53 GLU H 1 53 GLU HG2 . . 3.210 2.208 1.863 2.655 . 0 0 "[ . 1 . 2 ]" 1
622 1 54 GLN H 1 54 GLN QB . . 3.130 2.479 2.316 2.672 . 0 0 "[ . 1 . 2 ]" 1
623 1 54 GLN H 1 54 GLN QG . . 2.820 2.830 2.573 3.251 0.431 9 0 "[ . 1 . 2 ]" 1
624 1 53 GLU QB 1 54 GLN H . . 4.330 3.737 3.411 3.879 . 0 0 "[ . 1 . 2 ]" 1
625 1 53 GLU HG3 1 54 GLN H . . 3.850 2.942 1.870 3.591 . 0 0 "[ . 1 . 2 ]" 1
626 1 53 GLU HG2 1 54 GLN H . . 3.870 3.390 2.910 3.802 . 0 0 "[ . 1 . 2 ]" 1
627 1 59 ALA H 1 59 ALA MB . . 3.300 2.438 2.350 2.512 . 0 0 "[ . 1 . 2 ]" 1
628 1 60 THR H 1 60 THR HB . . 3.550 2.673 2.474 2.865 . 0 0 "[ . 1 . 2 ]" 1
629 1 59 ALA MB 1 60 THR H . . 3.860 3.573 3.413 3.644 . 0 0 "[ . 1 . 2 ]" 1
630 1 60 THR H 1 60 THR MG . . 3.770 3.746 3.662 3.773 0.003 14 0 "[ . 1 . 2 ]" 1
631 1 62 ASN H 1 62 ASN QB . . 2.940 2.246 2.050 2.520 . 0 0 "[ . 1 . 2 ]" 1
632 1 63 PHE H 1 63 PHE HB2 . . 3.900 2.361 2.247 2.620 . 0 0 "[ . 1 . 2 ]" 1
633 1 63 PHE H 1 63 PHE HB3 . . 3.900 2.650 2.410 2.815 . 0 0 "[ . 1 . 2 ]" 1
634 1 63 PHE HA 1 65 ASP H . . 4.420 4.328 3.895 4.614 0.194 14 0 "[ . 1 . 2 ]" 1
635 1 64 GLU H 1 64 GLU HG2 . . 4.130 1.987 1.562 3.268 . 0 0 "[ . 1 . 2 ]" 1
636 1 64 GLU H 1 64 GLU HG3 . . 4.130 2.945 2.080 3.489 . 0 0 "[ . 1 . 2 ]" 1
637 1 64 GLU H 1 64 GLU HB2 . . 3.780 3.433 2.594 3.637 . 0 0 "[ . 1 . 2 ]" 1
638 1 64 GLU H 1 64 GLU HB3 . . 3.780 2.977 2.547 3.635 . 0 0 "[ . 1 . 2 ]" 1
639 1 64 GLU HB3 1 65 ASP H . . 4.150 4.193 3.945 4.578 0.428 12 0 "[ . 1 . 2 ]" 1
640 1 64 GLU HB2 1 65 ASP H . . 4.150 3.755 2.739 4.191 0.041 21 0 "[ . 1 . 2 ]" 1
641 1 60 THR HB 1 61 GLU H . . 3.540 2.661 2.357 2.897 . 0 0 "[ . 1 . 2 ]" 1
642 1 60 THR HB 1 62 ASN H . . 4.800 5.064 4.618 5.334 0.534 11 1 "[ . 1+ . 2 ]" 1
643 1 59 ALA MB 1 62 ASN H . . 4.270 3.608 3.378 3.990 . 0 0 "[ . 1 . 2 ]" 1
644 1 60 THR MG 1 63 PHE H . . 4.830 4.565 4.310 4.994 0.164 12 0 "[ . 1 . 2 ]" 1
645 1 60 THR MG 1 64 GLU H . . 4.540 3.885 3.339 4.554 0.014 12 0 "[ . 1 . 2 ]" 1
646 1 62 ASN QB 1 63 PHE H . . 3.700 2.685 2.518 2.869 . 0 0 "[ . 1 . 2 ]" 1
647 1 70 THR MG 1 74 GLU H . . 4.290 5.015 4.151 6.063 1.773 23 15 "[ ** ** * **** * -***+]" 1
648 1 75 LEU H 1 75 LEU HB2 . . 3.460 2.581 2.465 2.736 . 0 0 "[ . 1 . 2 ]" 1
649 1 75 LEU H 1 75 LEU HB3 . . 3.460 2.454 2.317 2.560 . 0 0 "[ . 1 . 2 ]" 1
650 1 76 SER H 1 76 SER QB . . 3.700 2.646 2.400 2.912 . 0 0 "[ . 1 . 2 ]" 1
651 1 75 LEU HB2 1 76 SER H . . 4.110 4.005 3.815 4.143 0.033 12 0 "[ . 1 . 2 ]" 1
652 1 77 LYS H 1 77 LYS HB3 . . 3.270 2.841 2.518 3.549 0.279 13 0 "[ . 1 . 2 ]" 1
653 1 77 LYS H 1 77 LYS HB2 . . 2.720 2.296 2.087 2.464 . 0 0 "[ . 1 . 2 ]" 1
654 1 76 SER QB 1 77 LYS H . . 3.970 3.346 3.103 3.795 . 0 0 "[ . 1 . 2 ]" 1
655 1 76 SER HA 1 77 LYS H . . 3.550 3.373 3.312 3.435 . 0 0 "[ . 1 . 2 ]" 1
656 1 78 THR H 1 78 THR HB . . 3.280 2.685 2.409 2.860 . 0 0 "[ . 1 . 2 ]" 1
657 1 77 LYS HB3 1 78 THR H . . 3.830 3.290 2.810 3.970 0.140 13 0 "[ . 1 . 2 ]" 1
658 1 77 LYS HB2 1 78 THR H . . 4.060 3.951 3.272 4.170 0.110 6 0 "[ . 1 . 2 ]" 1
659 1 78 THR H 1 78 THR MG . . 2.640 2.343 2.063 3.815 1.175 3 1 "[ + . 1 . 2 ]" 1
660 1 78 THR MG 1 79 PHE H . . 3.450 3.081 2.615 4.145 0.695 3 1 "[ + . 1 . 2 ]" 1
661 1 80 ILE H 1 80 ILE HB . . 2.830 2.731 2.612 2.899 0.069 3 0 "[ . 1 . 2 ]" 1
662 1 80 ILE H 1 80 ILE MG . . 3.200 1.932 1.833 2.078 . 0 0 "[ . 1 . 2 ]" 1
663 1 80 ILE H 1 80 ILE QG . . 4.070 4.008 3.961 4.057 . 0 0 "[ . 1 . 2 ]" 1
664 1 81 ILE H 1 81 ILE MG . . 3.370 2.743 2.552 3.191 . 0 0 "[ . 1 . 2 ]" 1
665 1 81 ILE H 1 81 ILE MD . . 4.090 2.090 1.687 3.774 . 0 0 "[ . 1 . 2 ]" 1
666 1 80 ILE HA 1 81 ILE H . . 3.250 2.133 2.116 2.168 . 0 0 "[ . 1 . 2 ]" 1
667 1 80 ILE HA 1 82 GLY H . . 3.680 3.463 3.291 3.598 . 0 0 "[ . 1 . 2 ]" 1
668 1 79 PHE H 1 80 ILE HA . . 4.790 4.684 4.494 4.996 0.206 16 0 "[ . 1 . 2 ]" 1
669 1 80 ILE HB 1 82 GLY H . . 5.210 4.823 4.502 5.163 . 0 0 "[ . 1 . 2 ]" 1
670 1 80 ILE MD 1 82 GLY H . . 3.160 3.027 2.353 3.808 0.648 3 7 "[ + * * 1 ** *- ]" 1
671 1 81 ILE MD 1 82 GLY H . . 3.940 3.177 2.495 4.300 0.360 20 0 "[ . 1 . 2 ]" 1
672 1 83 GLU H 1 83 GLU QB . . 3.740 2.654 2.502 3.281 . 0 0 "[ . 1 . 2 ]" 1
673 1 83 GLU QB 1 84 LEU H . . 3.580 2.152 1.810 2.713 . 0 0 "[ . 1 . 2 ]" 1
674 1 96 MET HB3 1 97 GLU H . . 4.180 2.063 1.824 2.290 . 0 0 "[ . 1 . 2 ]" 1
675 1 96 MET HB2 1 97 GLU H . . 4.180 3.562 3.408 3.686 . 0 0 "[ . 1 . 2 ]" 1
676 1 97 GLU H 1 97 GLU QG . . 4.510 4.166 2.957 4.446 . 0 0 "[ . 1 . 2 ]" 1
677 1 98 THR MG 1 99 LEU H . . 3.720 2.956 2.657 3.260 . 0 0 "[ . 1 . 2 ]" 1
678 1 35 TYR HA 1 36 ASP H . . 3.070 2.169 2.123 2.210 . 0 0 "[ . 1 . 2 ]" 1
679 1 27 TRP HA 1 27 TRP HE1 . . 4.610 4.680 4.589 4.844 0.234 8 0 "[ . 1 . 2 ]" 1
680 1 27 TRP HE1 1 36 ASP HB2 . . 3.590 2.846 2.470 3.197 . 0 0 "[ . 1 . 2 ]" 1
681 1 27 TRP HE1 1 81 ILE MG . . 4.890 4.393 3.790 5.238 0.348 16 0 "[ . 1 . 2 ]" 1
682 1 27 TRP HE1 1 81 ILE MD . . 3.580 3.655 2.849 4.296 0.716 16 5 "[ . 1 ** .+ * 2 -]" 1
683 1 10 LYS H 1 12 TYR QD . . 4.670 5.051 4.510 5.699 1.029 4 6 "[ **+* -1 . 2 *]" 1
684 1 16 GLU H 1 19 LYS QE . . 5.480 5.920 4.855 7.208 1.728 2 12 "[*+*-** *1* *** * 2 ]" 1
685 1 19 LYS QB 1 20 HIS H . . 3.740 3.318 2.716 3.778 0.038 4 0 "[ . 1 . 2 ]" 1
686 1 19 LYS QG 1 20 HIS H . . 4.750 4.542 3.928 4.894 0.144 20 0 "[ . 1 . 2 ]" 1
687 1 18 LYS HA 1 20 HIS H . . 3.780 3.713 3.371 4.374 0.594 8 3 "[ . + 1 * . 2- ]" 1
688 1 24 LYS H 1 38 THR MG . . 5.140 5.021 4.712 5.854 0.714 11 1 "[ . 1+ . 2 ]" 1
689 1 24 LYS QD 1 25 SER H . . 4.270 5.195 4.124 5.725 1.455 16 20 "[* ****- **** **+*******]" 1
690 1 24 LYS HB3 1 25 SER H . . 4.510 4.555 4.369 4.653 0.143 11 0 "[ . 1 . 2 ]" 1
691 1 25 SER H 1 38 THR MG . . 3.720 3.790 3.423 4.459 0.739 11 1 "[ . 1+ . 2 ]" 1
692 1 24 LYS HB2 1 25 SER H . . 4.510 4.374 4.301 4.454 . 0 0 "[ . 1 . 2 ]" 1
693 1 26 THR H 1 38 THR MG . . 3.560 3.263 3.087 3.583 0.023 11 0 "[ . 1 . 2 ]" 1
694 1 20 HIS QB 1 27 TRP H . . 3.820 4.403 3.611 5.461 1.641 8 13 "[* * -* + *** *. ****]" 1
695 1 21 ASN QB 1 27 TRP H . . 5.000 3.562 2.278 4.602 . 0 0 "[ . 1 . 2 ]" 1
696 1 26 THR HA 1 27 TRP H . . 3.080 2.191 2.143 2.290 . 0 0 "[ . 1 . 2 ]" 1
697 1 28 LEU H 1 34 VAL QG . . 3.940 3.675 3.352 4.054 0.114 23 0 "[ . 1 . 2 ]" 1
698 1 28 LEU H 1 35 TYR HB2 . . 4.150 3.639 3.439 3.847 . 0 0 "[ . 1 . 2 ]" 1
699 1 28 LEU H 1 36 ASP HA . . 4.260 3.825 3.405 4.159 . 0 0 "[ . 1 . 2 ]" 1
700 1 29 ILE H 1 59 ALA MB . . 3.940 4.176 3.573 4.542 0.602 2 5 "[ + . *1- *. * 2 ]" 1
701 1 28 LEU QD 1 29 ILE H . . 3.890 2.777 1.919 3.787 . 0 0 "[ . 1 . 2 ]" 1
702 1 33 LYS HA 1 34 VAL H . . 3.520 2.304 2.229 2.394 . 0 0 "[ . 1 . 2 ]" 1
703 1 33 LYS QG 1 34 VAL H . . 3.870 4.206 3.931 4.606 0.736 22 6 "[ *- *1 *. * 2 + ]" 1
704 1 33 LYS QB 1 34 VAL H . . 4.440 2.747 2.562 2.926 . 0 0 "[ . 1 . 2 ]" 1
705 1 34 VAL H 1 83 GLU QG . . 4.790 3.506 3.040 4.841 0.051 9 0 "[ . 1 . 2 ]" 1
706 1 34 VAL H 1 80 ILE MD . . 3.870 3.275 2.665 4.477 0.607 20 1 "[ . 1 . + ]" 1
707 1 29 ILE HB 1 59 ALA H . . 4.020 3.594 3.177 3.909 . 0 0 "[ . 1 . 2 ]" 1
708 1 99 LEU H 1 99 LEU HG . . 3.170 2.899 2.714 3.435 0.265 5 0 "[ . 1 . 2 ]" 1
709 1 34 VAL QG 1 35 TYR H . . 4.000 2.739 2.544 2.866 . 0 0 "[ . 1 . 2 ]" 1
710 1 29 ILE HA 1 35 TYR H . . 4.220 3.394 3.127 3.681 . 0 0 "[ . 1 . 2 ]" 1
711 1 36 ASP H 1 36 ASP HB3 . . 3.540 2.487 2.315 2.661 . 0 0 "[ . 1 . 2 ]" 1
712 1 35 TYR HB3 1 36 ASP H . . 3.620 3.166 2.935 3.325 . 0 0 "[ . 1 . 2 ]" 1
713 1 36 ASP H 1 36 ASP HB2 . . 4.130 2.916 2.669 3.120 . 0 0 "[ . 1 . 2 ]" 1
714 1 36 ASP H 1 79 PHE HA . . 3.890 3.635 3.390 3.997 0.107 1 0 "[ . 1 . 2 ]" 1
715 1 36 ASP H 1 80 ILE HA . . 4.020 3.658 3.256 4.010 . 0 0 "[ . 1 . 2 ]" 1
716 1 36 ASP H 1 81 ILE MG . . 3.600 3.135 2.845 3.528 . 0 0 "[ . 1 . 2 ]" 1
717 1 36 ASP H 1 81 ILE MD . . 4.980 2.745 2.387 4.137 . 0 0 "[ . 1 . 2 ]" 1
718 1 38 THR MG 1 39 LYS H . . 3.840 2.548 2.300 2.722 . 0 0 "[ . 1 . 2 ]" 1
719 1 42 GLU H 1 48 GLU QB . . 4.060 4.296 3.817 4.932 0.872 19 6 "[ * - * *. +2 * ]" 1
720 1 42 GLU HA 1 44 HIS H . . 4.240 3.583 3.330 3.983 . 0 0 "[ . 1 . 2 ]" 1
721 1 43 GLU HB3 1 44 HIS H . . 4.360 4.330 4.045 4.544 0.184 13 0 "[ . 1 . 2 ]" 1
722 1 42 GLU QG 1 44 HIS H . . 5.140 4.639 4.426 5.033 . 0 0 "[ . 1 . 2 ]" 1
723 1 43 GLU QG 1 44 HIS H . . 5.460 4.278 4.018 4.484 . 0 0 "[ . 1 . 2 ]" 1
724 1 44 HIS H 1 48 GLU QB . . 5.500 5.012 4.586 5.621 0.121 19 0 "[ . 1 . 2 ]" 1
725 1 48 GLU H 1 49 GLU HA . . 4.650 4.699 4.561 4.846 0.196 15 0 "[ . 1 . 2 ]" 1
726 1 49 GLU HB2 1 50 VAL H . . 4.040 3.723 3.238 3.954 . 0 0 "[ . 1 . 2 ]" 1
727 1 49 GLU QG 1 50 VAL H . . 4.240 3.755 3.397 4.174 . 0 0 "[ . 1 . 2 ]" 1
728 1 41 LEU QD 1 51 LEU H . . 4.370 4.548 4.284 4.915 0.545 19 1 "[ . 1 . +2 ]" 1
729 1 51 LEU H 1 54 GLN QG . . 5.050 5.286 4.917 5.900 0.850 9 2 "[ . +1 . - 2 ]" 1
730 1 49 GLU HA 1 52 ARG H . . 3.600 3.504 3.225 3.718 0.118 19 0 "[ . 1 . 2 ]" 1
731 1 52 ARG H 1 52 ARG QG . . 4.180 2.090 1.785 2.830 . 0 0 "[ . 1 . 2 ]" 1
732 1 52 ARG H 1 53 GLU HG2 . . 3.970 4.190 3.784 4.623 0.653 12 1 "[ . 1 + . 2 ]" 1
733 1 51 LEU QB 1 52 ARG H . . 3.490 2.528 2.395 2.695 . 0 0 "[ . 1 . 2 ]" 1
734 1 48 GLU QB 1 52 ARG H . . 5.190 4.191 3.870 4.731 . 0 0 "[ . 1 . 2 ]" 1
735 1 48 GLU QG 1 52 ARG H . . 5.490 4.860 3.764 6.278 0.788 23 1 "[ . 1 . 2 +]" 1
736 1 49 GLU HA 1 53 GLU H . . 3.910 4.337 3.900 4.779 0.869 17 8 "[ * .* 1* * .-+**2 ]" 1
737 1 52 ARG QB 1 53 GLU H . . 3.670 3.613 3.515 3.670 0.000 15 0 "[ . 1 . 2 ]" 1
738 1 52 ARG QG 1 53 GLU H . . 4.100 2.484 2.105 3.006 . 0 0 "[ . 1 . 2 ]" 1
739 1 51 LEU HA 1 54 GLN H . . 4.170 3.588 3.426 3.781 . 0 0 "[ . 1 . 2 ]" 1
740 1 54 GLN H 1 55 ALA MB . . 3.960 3.733 3.537 4.082 0.122 3 0 "[ . 1 . 2 ]" 1
741 1 54 GLN H 1 59 ALA MB . . 4.940 5.214 4.910 5.522 0.582 17 2 "[ . 1 -. + 2 ]" 1
742 1 28 LEU QD 1 54 GLN H . . 3.950 3.773 3.506 4.127 0.177 17 0 "[ . 1 . 2 ]" 1
743 1 54 GLN QG 1 55 ALA H . . 4.030 4.466 4.256 4.689 0.659 17 4 "[ -. *1 . +* 2 ]" 1
744 1 26 THR MG 1 55 ALA H . . 4.000 4.296 4.065 4.554 0.554 11 1 "[ . 1+ . 2 ]" 1
745 1 54 GLN QB 1 55 ALA H . . 4.190 3.453 3.195 3.607 . 0 0 "[ . 1 . 2 ]" 1
746 1 28 LEU QD 1 55 ALA H . . 3.900 3.921 3.127 4.523 0.623 17 1 "[ . 1 . + 2 ]" 1
747 1 55 ALA H 1 59 ALA MB . . 5.500 5.821 5.262 6.249 0.749 17 5 "[ * . *1 *. + - ]" 1
748 1 28 LEU HA 1 57 GLY H . . 3.550 3.562 3.301 3.872 0.322 12 0 "[ . 1 . 2 ]" 1
749 1 29 ILE H 1 58 ASP H . . 5.100 5.074 4.739 5.396 0.296 23 0 "[ . 1 . 2 ]" 1
750 1 57 GLY HA2 1 58 ASP H . . 3.100 2.516 2.421 2.722 . 0 0 "[ . 1 . 2 ]" 1
751 1 61 GLU H 1 64 GLU H . . 5.040 5.024 4.822 5.520 0.480 12 0 "[ . 1 . 2 ]" 1
752 1 65 ASP H 1 67 GLY H . . 4.380 4.034 3.541 4.298 . 0 0 "[ . 1 . 2 ]" 1
753 1 69 SER HB2 1 70 THR H . . 4.220 2.888 2.388 3.726 . 0 0 "[ . 1 . 2 ]" 1
754 1 70 THR HA 1 72 ALA H . . 4.200 4.316 4.056 4.598 0.398 10 0 "[ . 1 . 2 ]" 1
755 1 69 SER HA 1 72 ALA H . . 4.960 4.559 4.381 4.716 . 0 0 "[ . 1 . 2 ]" 1
756 1 70 THR HA 1 73 ARG H . . 3.910 3.713 3.578 3.939 0.029 12 0 "[ . 1 . 2 ]" 1
757 1 74 GLU QB 1 75 LEU H . . 3.850 2.841 2.492 3.187 . 0 0 "[ . 1 . 2 ]" 1
758 1 35 TYR HA 1 80 ILE H . . 4.180 4.414 3.984 4.812 0.632 1 3 "[+ .- *1 . 2 ]" 1
759 1 35 TYR HB3 1 80 ILE H . . 4.790 4.999 4.444 5.672 0.882 9 4 "[* .- +1* . 2 ]" 1
760 1 80 ILE QG 1 81 ILE H . . 4.720 2.839 2.585 3.128 . 0 0 "[ . 1 . 2 ]" 1
761 1 81 ILE HB 1 82 GLY H . . 4.550 4.225 3.871 4.412 . 0 0 "[ . 1 . 2 ]" 1
762 1 34 VAL HB 1 82 GLY H . . 3.970 3.179 2.886 3.522 . 0 0 "[ . 1 . 2 ]" 1
763 1 34 VAL QG 1 82 GLY H . . 4.020 3.873 3.673 4.126 0.106 2 0 "[ . 1 . 2 ]" 1
764 1 84 LEU H 1 89 ARG QG . . 4.830 5.178 3.990 5.669 0.839 16 12 "[* ** * -1 * .+***2* *]" 1
765 1 89 ARG H 1 89 ARG HB3 . . 3.540 2.894 2.571 3.794 0.254 8 0 "[ . 1 . 2 ]" 1
766 1 89 ARG H 1 89 ARG QG . . 3.710 3.892 2.721 4.162 0.452 6 0 "[ . 1 . 2 ]" 1
767 1 86 PRO HA 1 89 ARG H . . 3.840 3.531 3.274 3.758 . 0 0 "[ . 1 . 2 ]" 1
768 1 21 ASN HA 1 27 TRP H . . 4.440 3.150 2.618 3.612 . 0 0 "[ . 1 . 2 ]" 1
769 1 79 PHE H 1 80 ILE MG . . 3.860 3.370 3.049 3.706 . 0 0 "[ . 1 . 2 ]" 1
770 1 79 PHE H 1 80 ILE HB . . 4.480 4.416 4.131 4.739 0.259 16 0 "[ . 1 . 2 ]" 1
771 1 35 TYR HB3 1 79 PHE H . . 5.120 5.116 4.701 5.444 0.324 23 0 "[ . 1 . 2 ]" 1
772 1 77 LYS HB3 1 79 PHE H . . 5.140 5.017 4.852 5.348 0.208 13 0 "[ . 1 . 2 ]" 1
773 1 76 SER HA 1 79 PHE H . . 4.250 3.372 3.053 3.706 . 0 0 "[ . 1 . 2 ]" 1
774 1 47 GLY HA3 1 49 GLU H . . 4.670 3.353 3.028 3.821 . 0 0 "[ . 1 . 2 ]" 1
775 1 23 SER HA 1 25 SER H . . 4.110 3.975 3.683 4.217 0.107 16 0 "[ . 1 . 2 ]" 1
776 1 31 HIS H 1 60 THR MG . . 3.640 2.600 2.132 3.082 . 0 0 "[ . 1 . 2 ]" 1
777 1 30 LEU QB 1 31 HIS H . . 4.540 3.314 3.181 3.428 . 0 0 "[ . 1 . 2 ]" 1
778 1 97 GLU QG 1 98 THR H . . 4.230 3.358 2.768 4.128 . 0 0 "[ . 1 . 2 ]" 1
779 1 97 GLU HB3 1 98 THR H . . 4.650 4.320 3.746 4.523 . 0 0 "[ . 1 . 2 ]" 1
780 1 98 THR H 1 98 THR MG . . 4.210 2.591 2.283 2.767 . 0 0 "[ . 1 . 2 ]" 1
781 1 96 MET H 1 96 MET QG . . 4.150 4.039 3.979 4.131 . 0 0 "[ . 1 . 2 ]" 1
782 1 95 PRO HD2 1 96 MET H . . 5.500 5.542 5.185 5.677 0.177 15 0 "[ . 1 . 2 ]" 1
783 1 92 LEU H 1 93 SER QB . . 4.660 4.933 4.780 5.050 0.390 10 0 "[ . 1 . 2 ]" 1
784 1 102 THR MG 1 104 ASP H . . 4.340 2.993 2.053 3.989 . 0 0 "[ . 1 . 2 ]" 1
785 1 103 VAL H 1 104 ASP H . . 4.410 2.420 2.116 3.123 . 0 0 "[ . 1 . 2 ]" 1
786 1 104 ASP H 1 104 ASP HB2 . . 3.880 3.562 2.166 4.011 0.131 2 0 "[ . 1 . 2 ]" 1
787 1 104 ASP H 1 104 ASP HB3 . . 3.880 3.068 2.658 3.647 . 0 0 "[ . 1 . 2 ]" 1
788 1 101 THR MG 1 102 THR H . . 4.130 2.644 2.262 3.400 . 0 0 "[ . 1 . 2 ]" 1
789 1 102 THR H 1 102 THR MG . . 4.490 3.430 2.943 3.820 . 0 0 "[ . 1 . 2 ]" 1
790 1 103 VAL H 1 103 VAL QG . . 3.210 1.919 1.785 2.133 . 0 0 "[ . 1 . 2 ]" 1
791 1 102 THR MG 1 103 VAL H . . 3.830 3.488 2.614 4.032 0.202 1 0 "[ . 1 . 2 ]" 1
792 1 92 LEU MD1 1 93 SER H . . 4.620 4.475 4.045 4.672 0.052 20 0 "[ . 1 . 2 ]" 1
793 1 101 THR H 1 101 THR MG . . 4.290 3.870 3.325 4.036 . 0 0 "[ . 1 . 2 ]" 1
794 1 15 GLU QB 1 16 GLU H . . 3.810 3.794 3.660 3.910 0.100 14 0 "[ . 1 . 2 ]" 1
795 1 16 GLU H 1 18 LYS QG . . 3.940 4.080 3.810 4.773 0.833 13 1 "[ . 1 + . 2 ]" 1
796 1 35 TYR QE 1 80 ILE H . . 4.230 3.679 3.420 4.066 . 0 0 "[ . 1 . 2 ]" 1
797 1 77 LYS HB3 1 80 ILE H . . 5.500 5.773 5.519 6.040 0.540 22 1 "[ . 1 . 2 + ]" 1
798 1 80 ILE H 1 81 ILE MG . . 5.500 4.494 4.233 4.942 . 0 0 "[ . 1 . 2 ]" 1
799 1 16 GLU QB 1 17 ILE H . . 3.970 2.578 2.379 3.550 . 0 0 "[ . 1 . 2 ]" 1
800 1 12 TYR H 1 34 VAL QG . . 4.200 3.679 3.283 4.277 0.077 22 0 "[ . 1 . 2 ]" 1
801 1 26 THR MG 1 38 THR H . . 4.630 5.220 4.734 5.835 1.205 23 12 "[* -* 1 ** ** **** +]" 1
802 1 37 LEU HB3 1 38 THR H . . 4.780 4.528 4.438 4.604 . 0 0 "[ . 1 . 2 ]" 1
803 1 37 LEU HB2 1 38 THR H . . 4.780 4.500 4.447 4.562 . 0 0 "[ . 1 . 2 ]" 1
804 1 38 THR H 1 39 LYS QG . . 5.340 4.923 4.251 5.516 0.176 20 0 "[ . 1 . 2 ]" 1
805 1 27 TRP HA 1 38 THR H . . 5.190 4.804 4.444 5.599 0.409 10 0 "[ . 1 . 2 ]" 1
806 1 27 TRP HD1 1 38 THR H . . 4.560 3.886 3.320 4.729 0.169 10 0 "[ . 1 . 2 ]" 1
807 1 89 ARG H 1 89 ARG HB2 . . 3.540 2.754 2.476 3.000 . 0 0 "[ . 1 . 2 ]" 1
808 1 39 LYS H 1 41 LEU HG . . 4.580 4.267 4.051 4.776 0.196 11 0 "[ . 1 . 2 ]" 1
809 1 27 TRP HD1 1 28 LEU H . . 4.550 4.185 4.014 4.398 . 0 0 "[ . 1 . 2 ]" 1
810 1 99 LEU H 1 100 ILE H . . 3.310 2.825 2.640 3.050 . 0 0 "[ . 1 . 2 ]" 1
811 1 102 THR H 1 103 VAL QG . . 5.060 4.220 3.843 4.625 . 0 0 "[ . 1 . 2 ]" 1
812 1 11 TYR H 1 83 GLU H . . 4.490 4.512 4.194 4.837 0.347 9 0 "[ . 1 . 2 ]" 1
813 1 10 LYS HA 1 11 TYR H . . 2.700 2.178 2.123 2.367 . 0 0 "[ . 1 . 2 ]" 1
814 1 10 LYS QG 1 11 TYR H . . 3.670 3.050 2.247 4.208 0.538 2 1 "[ + . 1 . 2 ]" 1
815 1 12 TYR H 1 85 HIS HA . . 5.030 5.428 4.781 6.611 1.581 8 6 "[ . +** -*.* 2 ]" 1
816 1 10 LYS HA 1 12 TYR H . . 5.500 5.567 5.087 5.941 0.441 13 0 "[ . 1 . 2 ]" 1
817 1 10 LYS QG 1 12 TYR H . . 4.820 5.027 3.911 6.691 1.871 2 7 "[ + .- **1 * . 2** ]" 1
818 1 13 THR H 1 17 ILE H . . 4.390 4.352 3.931 4.660 0.270 2 0 "[ . 1 . 2 ]" 1
819 1 12 TYR QE 1 13 THR H . . 5.500 5.773 5.193 6.330 0.830 2 5 "[ + * -* . * 2 ]" 1
820 1 13 THR H 1 13 THR HB . . 3.800 3.192 2.864 3.459 . 0 0 "[ . 1 . 2 ]" 1
821 1 13 THR HB 1 16 GLU H . . 3.530 2.852 2.458 3.168 . 0 0 "[ . 1 . 2 ]" 1
822 1 12 TYR QD 1 17 ILE H . . 5.500 5.337 4.746 5.720 0.220 10 0 "[ . 1 . 2 ]" 1
823 1 17 ILE MG 1 18 LYS H . . 4.560 4.113 4.001 4.202 . 0 0 "[ . 1 . 2 ]" 1
824 1 18 LYS QB 1 19 LYS H . . 4.030 3.889 3.614 4.007 . 0 0 "[ . 1 . 2 ]" 1
825 1 17 ILE QG 1 19 LYS H . . 5.040 4.429 4.118 4.676 . 0 0 "[ . 1 . 2 ]" 1
826 1 17 ILE MD 1 19 LYS H . . 5.390 4.683 4.235 5.733 0.343 7 0 "[ . 1 . 2 ]" 1
827 1 20 HIS H 1 27 TRP H . . 5.270 5.952 5.405 6.906 1.636 8 16 "[* * ***+******. -** *]" 1
828 1 20 HIS H 1 21 ASN QB . . 4.800 4.234 3.790 4.608 . 0 0 "[ . 1 . 2 ]" 1
829 1 20 HIS H 1 27 TRP QB . . 5.240 5.423 4.981 6.061 0.821 8 3 "[ . + 1 . 2- *]" 1
830 1 18 LYS HA 1 21 ASN H . . 4.530 3.871 3.456 4.259 . 0 0 "[ . 1 . 2 ]" 1
831 1 21 ASN H 1 26 THR HA . . 4.730 5.238 4.537 6.159 1.429 8 10 "[ -.**+*** *. ** ]" 1
832 1 21 ASN H 1 27 TRP H . . 4.480 4.999 4.256 5.736 1.256 8 11 "[ *. *+*** *. * -** ]" 1
833 1 21 ASN H 1 56 GLY H . . 5.310 5.962 5.422 6.413 1.103 21 15 "[* .*** ** *****-*+* ]" 1
834 1 22 HIS HB2 1 24 LYS H . . 4.390 3.480 2.781 4.599 0.209 4 0 "[ . 1 . 2 ]" 1
835 1 22 HIS HA 1 24 LYS H . . 5.470 5.152 3.986 6.175 0.705 4 2 "[ +. 1 .- 2 ]" 1
836 1 22 HIS HB3 1 25 SER H . . 5.100 4.876 3.660 5.891 0.791 16 1 "[ . 1 .+ 2 ]" 1
837 1 23 SER HA 1 26 THR H . . 4.210 4.780 4.113 6.113 1.903 10 11 "[-* *** *+*** .* 2 ]" 1
838 1 22 HIS H 1 27 TRP H . . 4.820 4.742 3.845 5.256 0.436 4 0 "[ . 1 . 2 ]" 1
839 1 27 TRP H 1 57 GLY H . . 5.500 6.452 6.040 6.783 1.283 16 23 [**********-****+*******] 1
840 1 27 TRP H 1 27 TRP HD1 . . 4.560 3.643 2.934 3.946 . 0 0 "[ . 1 . 2 ]" 1
841 1 26 THR HB 1 27 TRP H . . 4.440 4.309 4.128 4.413 . 0 0 "[ . 1 . 2 ]" 1
842 1 28 LEU HA 1 29 ILE H . . 3.130 2.248 2.199 2.342 . 0 0 "[ . 1 . 2 ]" 1
843 1 29 ILE H 1 60 THR H . . 5.500 5.985 5.587 6.399 0.899 14 10 "[ **** * * +*- 2 * ]" 1
844 1 29 ILE H 1 35 TYR H . . 5.260 4.964 4.861 5.079 . 0 0 "[ . 1 . 2 ]" 1
845 1 30 LEU H 1 33 LYS QB . . 3.900 3.511 3.281 3.649 . 0 0 "[ . 1 . 2 ]" 1
846 1 30 LEU H 1 30 LEU HG . . 4.670 3.052 2.662 3.326 . 0 0 "[ . 1 . 2 ]" 1
847 1 30 LEU H 1 30 LEU QB . . 3.850 2.656 2.574 2.738 . 0 0 "[ . 1 . 2 ]" 1
848 1 30 LEU H 1 35 TYR QD . . 3.580 2.589 2.280 3.374 . 0 0 "[ . 1 . 2 ]" 1
849 1 32 HIS H 1 33 LYS H . . 3.390 2.578 2.507 2.640 . 0 0 "[ . 1 . 2 ]" 1
850 1 30 LEU H 1 31 HIS H . . 4.240 4.179 4.106 4.271 0.031 23 0 "[ . 1 . 2 ]" 1
851 1 35 TYR H 1 81 ILE MG . . 5.180 5.991 5.598 6.197 1.017 15 22 "[***** *-******+********]" 1
852 1 35 TYR H 1 80 ILE HA . . 4.760 4.892 4.520 5.175 0.415 9 0 "[ . 1 . 2 ]" 1
853 1 36 ASP H 1 79 PHE QB . . 4.140 2.624 2.287 3.127 . 0 0 "[ . 1 . 2 ]" 1
854 1 35 TYR QD 1 36 ASP H . . 4.340 3.984 3.591 4.305 . 0 0 "[ . 1 . 2 ]" 1
855 1 36 ASP H 1 79 PHE H . . 5.180 5.386 5.214 5.607 0.427 23 0 "[ . 1 . 2 ]" 1
856 1 37 LEU H 1 38 THR HB . . 4.660 3.844 3.644 4.207 . 0 0 "[ . 1 . 2 ]" 1
857 1 39 LYS HB2 1 40 PHE H . . 4.420 3.812 3.662 4.060 . 0 0 "[ . 1 . 2 ]" 1
858 1 38 THR MG 1 40 PHE H . . 4.160 4.293 4.101 4.409 0.249 8 0 "[ . 1 . 2 ]" 1
859 1 39 LYS HB3 1 40 PHE H . . 4.420 4.192 3.990 4.352 . 0 0 "[ . 1 . 2 ]" 1
860 1 40 PHE H 1 41 LEU HG . . 3.670 3.084 2.746 3.472 . 0 0 "[ . 1 . 2 ]" 1
861 1 40 PHE H 1 41 LEU QB . . 4.820 4.310 4.149 4.454 . 0 0 "[ . 1 . 2 ]" 1
862 1 39 LYS HA 1 41 LEU H . . 4.170 3.649 3.498 3.856 . 0 0 "[ . 1 . 2 ]" 1
863 1 38 THR HA 1 41 LEU H . . 4.330 4.064 3.787 4.334 0.004 6 0 "[ . 1 . 2 ]" 1
864 1 48 GLU HA 1 50 VAL H . . 4.750 4.184 3.940 4.430 . 0 0 "[ . 1 . 2 ]" 1
865 1 51 LEU HA 1 55 ALA H . . 5.180 4.924 4.370 5.518 0.338 17 0 "[ . 1 . 2 ]" 1
866 1 26 THR MG 1 56 GLY H . . 4.020 4.445 3.808 4.866 0.846 10 6 "[ ** + .* * 2 -]" 1
867 1 28 LEU HA 1 56 GLY H . . 4.150 2.892 2.648 3.430 . 0 0 "[ . 1 . 2 ]" 1
868 1 21 ASN HA 1 56 GLY H . . 4.400 5.227 4.743 6.070 1.670 5 20 "[****+* - * ************]" 1
869 1 29 ILE H 1 56 GLY H . . 5.500 4.321 3.980 4.690 . 0 0 "[ . 1 . 2 ]" 1
870 1 18 LYS HA 1 57 GLY H . . 5.480 5.331 5.054 5.611 0.131 2 0 "[ . 1 . 2 ]" 1
871 1 58 ASP H 1 59 ALA MB . . 5.450 5.062 4.885 5.262 . 0 0 "[ . 1 . 2 ]" 1
872 1 31 HIS H 1 59 ALA H . . 5.500 4.930 4.445 5.224 . 0 0 "[ . 1 . 2 ]" 1
873 1 59 ALA MB 1 63 PHE H . . 4.520 3.733 3.278 4.009 . 0 0 "[ . 1 . 2 ]" 1
874 1 30 LEU QD 1 63 PHE H . . 3.850 3.664 3.417 3.949 0.099 20 0 "[ . 1 . 2 ]" 1
875 1 67 GLY H 1 68 HIS H . . 4.340 3.508 2.823 3.993 . 0 0 "[ . 1 . 2 ]" 1
876 1 69 SER HB3 1 70 THR H . . 4.220 3.207 2.388 3.729 . 0 0 "[ . 1 . 2 ]" 1
877 1 75 LEU HB3 1 76 SER H . . 4.110 2.852 2.606 3.082 . 0 0 "[ . 1 . 2 ]" 1
878 1 75 LEU HG 1 76 SER H . . 4.860 4.026 3.727 4.393 . 0 0 "[ . 1 . 2 ]" 1
879 1 76 SER H 1 78 THR MG . . 4.910 5.055 4.830 7.014 2.104 3 1 "[ + . 1 . 2 ]" 1
880 1 77 LYS QG 1 78 THR H . . 4.940 4.324 3.963 4.662 . 0 0 "[ . 1 . 2 ]" 1
881 1 78 THR H 1 79 PHE QB . . 4.650 4.215 4.007 4.394 . 0 0 "[ . 1 . 2 ]" 1
882 1 35 TYR HA 1 81 ILE H . . 3.980 3.205 2.779 3.474 . 0 0 "[ . 1 . 2 ]" 1
883 1 80 ILE QG 1 82 GLY H . . 4.550 2.455 2.042 3.173 . 0 0 "[ . 1 . 2 ]" 1
884 1 34 VAL H 1 84 LEU H . . 4.350 4.480 4.140 5.015 0.665 14 2 "[ . 1 +. 2 - ]" 1
885 1 33 LYS HA 1 84 LEU H . . 4.360 3.408 2.823 4.464 0.104 22 0 "[ . 1 . 2 ]" 1
886 1 83 GLU QG 1 84 LEU H . . 3.940 3.468 2.296 3.919 . 0 0 "[ . 1 . 2 ]" 1
887 1 34 VAL QG 1 84 LEU H . . 4.090 3.505 3.209 3.740 . 0 0 "[ . 1 . 2 ]" 1
888 1 14 LEU H 1 85 HIS H . . 4.980 4.515 4.170 5.455 0.475 9 0 "[ . 1 . 2 ]" 1
889 1 85 HIS H 1 89 ARG QG . . 5.410 6.096 4.061 6.714 1.304 23 19 "[** **** *-*** .*******+]" 1
890 1 14 LEU QD 1 88 ASP H . . 3.830 5.351 3.881 5.776 1.946 21 22 [********-1**********+**] 1
891 1 88 ASP H 1 89 ARG QG . . 4.730 5.445 3.335 5.938 1.208 16 19 "[** **** -**** .+*******]" 1
892 1 88 ASP H 1 89 ARG HA . . 4.820 4.886 4.605 5.080 0.260 8 0 "[ . 1 . 2 ]" 1
893 1 86 PRO HA 1 88 ASP H . . 4.290 4.149 3.665 4.458 0.168 10 0 "[ . 1 . 2 ]" 1
894 1 21 ASN HA 1 21 ASN QD . . 4.510 4.306 3.962 4.376 . 0 0 "[ . 1 . 2 ]" 1
895 1 21 ASN QD 1 55 ALA MB . . 4.900 2.935 2.454 3.906 . 0 0 "[ . 1 . 2 ]" 1
896 1 45 PRO QB 1 46 GLY H . . 4.550 3.537 2.780 3.993 . 0 0 "[ . 1 . 2 ]" 1
897 1 45 PRO QG 1 46 GLY H . . 4.970 4.603 2.680 4.941 . 0 0 "[ . 1 . 2 ]" 1
898 1 62 ASN H 1 62 ASN QD . . 3.950 4.026 2.841 4.671 0.721 12 2 "[ - 1 + . 2 ]" 1
899 1 54 GLN QB 1 54 GLN QE . . 3.420 3.393 3.186 3.732 0.312 17 0 "[ . 1 . 2 ]" 1
900 1 54 GLN HA 1 54 GLN QE . . 3.900 2.581 2.145 3.648 . 0 0 "[ . 1 . 2 ]" 1
901 1 54 GLN QE 1 54 GLN QG . . 3.080 2.182 2.110 2.236 . 0 0 "[ . 1 . 2 ]" 1
902 1 54 GLN QE 1 59 ALA HA . . 4.710 4.864 4.213 5.485 0.775 4 4 "[ +. - *1 . 2* ]" 1
903 1 53 GLU HG2 1 54 GLN QE . . 4.530 4.250 3.700 5.201 0.671 17 1 "[ . 1 . + 2 ]" 1
904 1 53 GLU HG3 1 54 GLN QE . . 4.030 2.691 2.030 3.555 . 0 0 "[ . 1 . 2 ]" 1
905 1 53 GLU QB 1 54 GLN QE . . 4.230 3.528 3.199 4.330 0.100 6 0 "[ . 1 . 2 ]" 1
906 1 54 GLN QE 1 59 ALA MB . . 4.420 4.187 3.593 4.616 0.196 21 0 "[ . 1 . 2 ]" 1
907 1 62 ASN HA 1 62 ASN QD . . 4.010 3.367 2.284 4.133 0.123 22 0 "[ . 1 . 2 ]" 1
908 1 30 LEU QD 1 31 HIS H . . 3.970 3.672 3.512 3.925 . 0 0 "[ . 1 . 2 ]" 1
909 1 92 LEU HB2 1 93 SER H . . 4.570 4.128 3.875 4.472 . 0 0 "[ . 1 . 2 ]" 1
910 1 92 LEU HA 1 93 SER H . . 3.290 2.958 2.556 3.155 . 0 0 "[ . 1 . 2 ]" 1
911 1 92 LEU MD2 1 93 SER H . . 4.620 4.455 4.367 4.630 0.010 9 0 "[ . 1 . 2 ]" 1
912 1 92 LEU HB3 1 93 SER H . . 4.360 4.255 4.069 4.351 . 0 0 "[ . 1 . 2 ]" 1
913 1 92 LEU H 1 93 SER H . . 4.030 2.663 2.549 2.884 . 0 0 "[ . 1 . 2 ]" 1
914 1 92 LEU H 1 92 LEU MD2 . . 3.920 2.485 2.259 2.836 . 0 0 "[ . 1 . 2 ]" 1
915 1 92 LEU H 1 92 LEU MD1 . . 3.920 3.466 2.901 4.089 0.169 3 0 "[ . 1 . 2 ]" 1
916 1 92 LEU H 1 92 LEU HB2 . . 3.440 3.337 3.078 3.467 0.027 5 0 "[ . 1 . 2 ]" 1
917 1 93 SER H 1 93 SER QB . . 3.330 2.648 2.525 2.903 . 0 0 "[ . 1 . 2 ]" 1
918 1 31 HIS H 1 60 THR H . . 4.760 3.950 3.646 4.564 . 0 0 "[ . 1 . 2 ]" 1
919 1 95 PRO QG 1 96 MET H . . 3.980 4.452 3.753 4.939 0.959 20 10 "[** *.* 1* -.* * +* ]" 1
920 1 97 GLU H 1 98 THR H . . 4.360 3.587 3.339 3.917 . 0 0 "[ . 1 . 2 ]" 1
921 1 97 GLU HB2 1 98 THR H . . 4.650 4.474 4.289 4.611 . 0 0 "[ . 1 . 2 ]" 1
922 1 103 VAL H 1 104 ASP HA . . 4.950 4.795 4.434 5.055 0.105 22 0 "[ . 1 . 2 ]" 1
923 1 41 LEU QD 1 52 ARG H . . 3.830 3.906 3.421 4.344 0.514 19 1 "[ . 1 . +2 ]" 1
924 1 22 HIS H 1 23 SER H . . 4.170 3.401 2.423 4.519 0.349 7 0 "[ . 1 . 2 ]" 1
925 1 33 LYS H 1 83 GLU HA . . 5.010 5.265 4.873 5.894 0.884 22 4 "[ . * 1 *- 2 + ]" 1
926 1 35 TYR QE 1 77 LYS H . . 4.890 4.771 4.250 5.144 0.254 20 0 "[ . 1 . 2 ]" 1
927 1 34 VAL HB 1 83 GLU H . . 4.650 4.620 4.279 4.989 0.339 6 0 "[ . 1 . 2 ]" 1
928 1 96 MET QG 1 97 GLU H . . 4.360 3.103 2.755 3.500 . 0 0 "[ . 1 . 2 ]" 1
929 1 102 THR HA 1 104 ASP H . . 4.670 3.349 3.128 3.668 . 0 0 "[ . 1 . 2 ]" 1
930 1 61 GLU QB 1 62 ASN QD . . 5.500 5.282 3.532 6.673 1.173 5 4 "[ * + 1 *. 2 -]" 1
931 1 4 GLN QB 1 4 GLN HE22 . . 4.120 4.032 3.582 4.121 0.001 21 0 "[ . 1 . 2 ]" 1
932 1 77 LYS H 1 78 THR MG . . 4.350 4.283 3.961 5.836 1.486 3 1 "[ + . 1 . 2 ]" 1
933 1 30 LEU HG 1 31 HIS H . . 5.500 5.106 5.002 5.199 . 0 0 "[ . 1 . 2 ]" 1
934 1 50 VAL H 1 50 VAL MG2 . . 3.930 1.921 1.831 2.079 . 0 0 "[ . 1 . 2 ]" 1
935 1 75 LEU H 1 75 LEU HG . . 4.680 4.437 4.334 4.495 . 0 0 "[ . 1 . 2 ]" 1
936 1 98 THR H 1 98 THR HB . . 3.750 3.342 3.095 3.478 . 0 0 "[ . 1 . 2 ]" 1
937 1 6 ASP HA 1 7 LYS H . . 2.810 2.211 2.121 2.555 . 0 0 "[ . 1 . 2 ]" 1
938 1 6 ASP H 1 7 LYS H . . 4.280 4.411 4.042 4.601 0.321 3 0 "[ . 1 . 2 ]" 1
939 1 11 TYR H 1 85 HIS HD2 . . 5.500 5.591 5.008 8.119 2.619 23 5 "[ - . **1 * . 2 +]" 1
940 1 9 VAL QG 1 11 TYR H . . 4.300 4.055 3.699 4.521 0.221 22 0 "[ . 1 . 2 ]" 1
941 1 11 TYR H 1 11 TYR QE . . 4.800 4.828 4.441 5.421 0.621 20 1 "[ . 1 . + ]" 1
942 1 13 THR H 1 16 GLU QG . . 4.550 3.388 2.036 4.519 . 0 0 "[ . 1 . 2 ]" 1
943 1 15 GLU H 1 16 GLU HA . . 5.300 5.124 4.998 5.236 . 0 0 "[ . 1 . 2 ]" 1
944 1 19 LYS QB 1 21 ASN H . . 5.000 4.790 4.350 5.060 0.060 4 0 "[ . 1 . 2 ]" 1
945 1 52 ARG H 1 55 ALA MB . . 4.800 4.633 4.423 5.188 0.388 17 0 "[ . 1 . 2 ]" 1
946 1 59 ALA H 1 60 THR HB . . 5.220 5.063 4.818 5.438 0.218 12 0 "[ . 1 . 2 ]" 1
947 1 28 LEU QD 1 59 ALA H . . 4.310 3.510 2.632 4.632 0.322 23 0 "[ . 1 . 2 ]" 1
948 1 60 THR MG 1 62 ASN H . . 4.860 5.036 4.739 5.318 0.458 11 0 "[ . 1 . 2 ]" 1
949 1 62 ASN H 1 63 PHE HA . . 5.500 5.030 4.764 5.311 . 0 0 "[ . 1 . 2 ]" 1
950 1 62 ASN QD 1 63 PHE H . . 4.440 5.007 4.147 5.351 0.911 1 15 "[+-**.* *1 * ***** ** *]" 1
951 1 65 ASP H 1 66 VAL HA . . 5.410 5.256 5.022 5.458 0.048 14 0 "[ . 1 . 2 ]" 1
952 1 70 THR H 1 72 ALA MB . . 5.460 4.812 4.630 5.023 . 0 0 "[ . 1 . 2 ]" 1
953 1 73 ARG H 1 75 LEU H . . 4.620 4.045 3.906 4.232 . 0 0 "[ . 1 . 2 ]" 1
954 1 27 TRP HD1 1 37 LEU H . . 4.180 3.264 2.709 4.203 0.023 10 0 "[ . 1 . 2 ]" 1
955 1 76 SER H 1 77 LYS HB2 . . 4.510 4.527 4.323 4.707 0.197 13 0 "[ . 1 . 2 ]" 1
956 1 72 ALA HA 1 76 SER H . . 4.600 4.598 4.132 4.910 0.310 21 0 "[ . 1 . 2 ]" 1
957 1 74 GLU QB 1 77 LYS H . . 5.500 4.725 4.587 4.831 . 0 0 "[ . 1 . 2 ]" 1
958 1 35 TYR HA 1 79 PHE H . . 5.280 5.499 5.267 5.783 0.503 20 1 "[ . 1 . + ]" 1
959 1 35 TYR QE 1 79 PHE H . . 4.600 4.301 3.941 4.895 0.295 8 0 "[ . 1 . 2 ]" 1
960 1 79 PHE H 1 79 PHE QD . . 4.500 3.423 2.796 3.600 . 0 0 "[ . 1 . 2 ]" 1
961 1 78 THR MG 1 80 ILE H . . 4.770 4.665 4.498 5.063 0.293 3 0 "[ . 1 . 2 ]" 1
962 1 80 ILE MG 1 81 ILE H . . 4.840 4.103 3.972 4.225 . 0 0 "[ . 1 . 2 ]" 1
963 1 80 ILE HB 1 81 ILE H . . 4.570 4.227 4.144 4.285 . 0 0 "[ . 1 . 2 ]" 1
964 1 33 LYS QG 1 82 GLY H . . 5.500 6.477 5.727 7.109 1.609 22 22 "[************-** *****+*]" 1
965 1 80 ILE MG 1 82 GLY H . . 5.500 4.493 4.177 4.985 . 0 0 "[ . 1 . 2 ]" 1
966 1 34 VAL QG 1 85 HIS H . . 5.220 5.361 4.810 6.011 0.791 8 3 "[ . + 1 - . 2 * ]" 1
967 1 85 HIS HB2 1 87 ASP H . . 4.610 4.013 2.857 5.137 0.527 12 1 "[ . 1 + . 2 ]" 1
968 1 93 SER H 1 94 LYS H . . 4.460 3.575 3.222 4.096 . 0 0 "[ . 1 . 2 ]" 1
969 1 17 ILE H 1 18 LYS QG . . 4.200 4.168 3.864 5.015 0.815 13 1 "[ . 1 + . 2 ]" 1
970 1 19 LYS H 1 19 LYS QD . . 3.880 4.150 3.139 4.788 0.908 12 10 "[* .* *1 +*-. * 2***]" 1
971 1 19 LYS H 1 19 LYS QG . . 3.960 4.159 4.016 4.232 0.272 11 0 "[ . 1 . 2 ]" 1
972 1 19 LYS H 1 19 LYS QB . . 2.610 2.425 2.242 2.544 . 0 0 "[ . 1 . 2 ]" 1
973 1 16 GLU QB 1 19 LYS H . . 5.500 5.038 4.793 5.441 . 0 0 "[ . 1 . 2 ]" 1
974 1 18 LYS QD 1 19 LYS H . . 3.920 4.831 4.167 5.453 1.533 23 19 "[****** *1* -*********+]" 1
975 1 16 GLU QG 1 19 LYS H . . 4.660 5.042 4.653 5.821 1.161 2 5 "[*+ *. 1 - . * 2 ]" 1
976 1 25 SER HB2 1 26 THR H . . 5.300 4.206 4.007 4.480 . 0 0 "[ . 1 . 2 ]" 1
977 1 28 LEU H 1 34 VAL HA . . 4.350 4.543 4.169 4.917 0.567 23 3 "[* . 1 . - 2 +]" 1
978 1 31 HIS QB 1 32 HIS H . . 4.490 3.808 3.751 3.851 . 0 0 "[ . 1 . 2 ]" 1
979 1 7 LYS H 1 7 LYS QE . . 4.910 5.015 4.248 5.823 0.913 2 5 "[ + . 1* * . * 2 - ]" 1
980 1 51 LEU HA 1 53 GLU H . . 4.770 4.128 3.923 4.293 . 0 0 "[ . 1 . 2 ]" 1
981 1 41 LEU QD 1 53 GLU H . . 5.500 5.690 5.366 6.007 0.507 20 1 "[ . 1 . + ]" 1
982 1 51 LEU QB 1 54 GLN H . . 5.210 4.715 4.584 4.977 . 0 0 "[ . 1 . 2 ]" 1
983 1 52 ARG QB 1 54 GLN H . . 5.010 4.850 4.573 5.333 0.323 3 0 "[ . 1 . 2 ]" 1
984 1 28 LEU H 1 56 GLY H . . 4.910 4.878 4.739 5.261 0.351 12 0 "[ . 1 . 2 ]" 1
985 1 28 LEU QD 1 56 GLY H . . 4.360 3.956 2.727 4.424 0.064 23 0 "[ . 1 . 2 ]" 1
986 1 28 LEU H 1 57 GLY H . . 5.500 6.317 6.045 6.592 1.092 3 23 [**+*******-************] 1
987 1 60 THR H 1 61 GLU HA . . 5.470 5.304 5.202 5.481 0.011 9 0 "[ . 1 . 2 ]" 1
988 1 60 THR MG 1 61 GLU H . . 3.740 3.661 3.133 3.953 0.213 19 0 "[ . 1 . 2 ]" 1
989 1 59 ALA MB 1 61 GLU H . . 5.020 4.538 4.314 4.760 . 0 0 "[ . 1 . 2 ]" 1
990 1 69 SER HB2 1 71 ASP H . . 4.320 2.804 2.330 3.580 . 0 0 "[ . 1 . 2 ]" 1
991 1 72 ALA H 1 72 ALA MB . . 3.660 2.230 2.205 2.253 . 0 0 "[ . 1 . 2 ]" 1
992 1 73 ARG H 1 73 ARG HB2 . . 3.970 3.614 3.578 3.639 . 0 0 "[ . 1 . 2 ]" 1
993 1 74 GLU H 1 75 LEU HB3 . . 5.300 4.573 4.303 4.763 . 0 0 "[ . 1 . 2 ]" 1
994 1 74 GLU H 1 77 LYS HB2 . . 5.500 5.709 5.023 6.316 0.816 13 6 "[ ** . * 1 + . - 2* ]" 1
995 1 88 ASP HB2 1 89 ARG H . . 4.510 3.689 3.201 3.932 . 0 0 "[ . 1 . 2 ]" 1
996 1 15 GLU H 1 17 ILE H . . 4.330 4.490 4.345 4.634 0.304 14 0 "[ . 1 . 2 ]" 1
997 1 15 GLU H 1 16 GLU QB . . 5.060 4.276 4.105 4.698 . 0 0 "[ . 1 . 2 ]" 1
998 1 17 ILE MD 1 20 HIS H . . 5.220 5.523 4.829 6.495 1.275 16 6 "[ - . * ** .+ 2 * ]" 1
999 1 20 HIS H 1 21 ASN QD . . 4.650 5.177 4.348 5.832 1.182 8 14 "[ -* ** + 1** ** ** ** *]" 1
1000 1 54 GLN QE 1 62 ASN QB . . 4.830 5.192 4.061 6.196 1.366 9 11 "[*- . **+* ** * 2** ]" 1
1001 1 59 ALA HA 1 62 ASN QD . . 4.280 4.951 3.367 6.182 1.902 13 15 "[*-**** *1 + **** ** *]" 1
1002 1 50 VAL H 1 53 GLU QB . . 5.500 5.786 5.277 6.310 0.810 17 5 "[ * .* 1- * . + 2 ]" 1
1003 1 21 ASN QB 1 56 GLY H . . 4.650 3.496 3.034 4.059 . 0 0 "[ . 1 . 2 ]" 1
1004 1 51 LEU H 1 52 ARG QG . . 5.500 3.571 3.247 4.454 . 0 0 "[ . 1 . 2 ]" 1
1005 1 51 LEU H 1 52 ARG QB . . 4.680 4.619 4.224 4.854 0.174 4 0 "[ . 1 . 2 ]" 1
1006 1 50 VAL HB 1 51 LEU H . . 4.560 4.052 3.912 4.237 . 0 0 "[ . 1 . 2 ]" 1
1007 1 98 THR HB 1 99 LEU H . . 3.860 3.707 3.596 3.841 . 0 0 "[ . 1 . 2 ]" 1
1008 1 18 LYS HA 1 56 GLY H . . 5.020 4.804 4.455 5.188 0.168 2 0 "[ . 1 . 2 ]" 1
1009 1 57 GLY H 1 59 ALA MB . . 5.330 5.169 4.821 5.743 0.413 12 0 "[ . 1 . 2 ]" 1
1010 1 26 THR MG 1 57 GLY H . . 5.500 6.094 5.598 6.499 0.999 18 18 "[* ****** ****-** + ** *]" 1
1011 1 54 GLN QB 1 57 GLY H . . 5.500 4.348 3.939 5.430 . 0 0 "[ . 1 . 2 ]" 1
1012 1 29 ILE HB 1 57 GLY H . . 4.940 4.673 3.914 5.641 0.701 2 2 "[ + . 1- . 2 ]" 1
1013 1 57 GLY H 1 58 ASP HA . . 4.810 4.912 4.664 5.070 0.260 17 0 "[ . 1 . 2 ]" 1
1014 1 59 ALA H 1 60 THR MG . . 5.500 5.421 5.220 5.576 0.076 8 0 "[ . 1 . 2 ]" 1
1015 1 59 ALA H 1 60 THR HA . . 4.720 4.364 4.215 4.602 . 0 0 "[ . 1 . 2 ]" 1
1016 1 61 GLU HA 1 63 PHE H . . 4.770 4.485 4.241 4.754 . 0 0 "[ . 1 . 2 ]" 1
1017 1 60 THR HB 1 63 PHE H . . 5.500 5.435 5.180 5.686 0.186 12 0 "[ . 1 . 2 ]" 1
1018 1 64 GLU H 1 65 ASP HA . . 5.190 5.016 4.903 5.164 . 0 0 "[ . 1 . 2 ]" 1
1019 1 78 THR H 1 80 ILE MG . . 5.260 4.227 3.837 4.659 . 0 0 "[ . 1 . 2 ]" 1
1020 1 34 VAL QG 1 81 ILE H . . 4.530 3.991 3.782 4.186 . 0 0 "[ . 1 . 2 ]" 1
1021 1 35 TYR H 1 82 GLY H . . 5.500 5.900 5.658 6.235 0.735 22 7 "[ * . *1*-* * 2 + ]" 1
1022 1 33 LYS HA 1 82 GLY H . . 5.500 5.716 5.467 6.021 0.521 15 1 "[ . 1 + 2 ]" 1
1023 1 9 VAL HB 1 82 GLY H . . 5.460 5.478 5.010 6.191 0.731 9 1 "[ . +1 . 2 ]" 1
1024 1 9 VAL QG 1 82 GLY H . . 4.850 3.990 3.615 4.473 . 0 0 "[ . 1 . 2 ]" 1
1025 1 32 HIS HA 1 84 LEU H . . 4.950 5.005 4.282 6.209 1.259 14 3 "[ . - 1 +* 2 ]" 1
1026 1 87 ASP H 1 88 ASP HA . . 5.300 5.211 5.070 5.325 0.025 10 0 "[ . 1 . 2 ]" 1
1027 1 9 VAL H 1 82 GLY QA . . 5.500 4.938 4.367 5.364 . 0 0 "[ . 1 . 2 ]" 1
1028 1 10 LYS H 1 82 GLY H . . 4.800 4.323 4.121 4.749 . 0 0 "[ . 1 . 2 ]" 1
1029 1 13 THR H 1 15 GLU H . . 5.500 5.400 5.103 5.767 0.267 14 0 "[ . 1 . 2 ]" 1
1030 1 14 LEU H 1 15 GLU QB . . 5.020 5.100 4.778 5.361 0.341 14 0 "[ . 1 . 2 ]" 1
1031 1 14 LEU HA 1 16 GLU H . . 4.560 3.770 3.581 4.121 . 0 0 "[ . 1 . 2 ]" 1
1032 1 16 GLU QB 1 18 LYS H . . 4.880 4.715 4.506 5.282 0.402 7 0 "[ . 1 . 2 ]" 1
1033 1 15 GLU QB 1 18 LYS H . . 5.300 5.343 5.079 5.664 0.364 16 0 "[ . 1 . 2 ]" 1
1034 1 18 LYS H 1 19 LYS QD . . 5.010 5.601 4.028 6.592 1.582 13 16 "[* *.** *1 *+*****-2***]" 1
1035 1 18 LYS H 1 19 LYS QG . . 5.500 6.032 5.557 6.282 0.782 13 13 "[* *.** *- +**** *2 * ]" 1
1036 1 24 LYS H 1 25 SER HA . . 5.110 4.998 4.827 5.279 0.169 4 0 "[ . 1 . 2 ]" 1
1037 1 25 SER H 1 26 THR HB . . 4.710 4.713 4.311 5.520 0.810 10 2 "[ . + . - ]" 1
1038 1 25 SER H 1 38 THR HA . . 5.500 5.155 4.497 5.625 0.125 18 0 "[ . 1 . 2 ]" 1
1039 1 28 LEU H 1 55 ALA HA . . 5.500 5.222 4.641 5.770 0.270 19 0 "[ . 1 . 2 ]" 1
1040 1 34 VAL H 1 81 ILE H . . 4.800 4.711 4.499 4.956 0.156 3 0 "[ . 1 . 2 ]" 1
1041 1 34 VAL H 1 83 GLU QB . . 5.350 4.318 3.232 4.671 . 0 0 "[ . 1 . 2 ]" 1
1042 1 38 THR H 1 39 LYS HA . . 5.450 5.305 5.209 5.400 . 0 0 "[ . 1 . 2 ]" 1
1043 1 40 PHE H 1 41 LEU HA . . 4.540 4.369 4.242 4.577 0.037 11 0 "[ . 1 . 2 ]" 1
1044 1 38 THR HB 1 40 PHE H . . 5.480 5.466 5.338 5.566 0.086 8 0 "[ . 1 . 2 ]" 1
1045 1 37 LEU HA 1 41 LEU H . . 5.280 5.164 4.791 5.441 0.161 13 0 "[ . 1 . 2 ]" 1
1046 1 48 GLU H 1 49 GLU HB3 . . 4.720 4.663 4.174 5.140 0.420 15 0 "[ . 1 . 2 ]" 1
1047 1 60 THR H 1 61 GLU QB . . 5.500 5.026 4.818 5.297 . 0 0 "[ . 1 . 2 ]" 1
1048 1 66 VAL HB 1 67 GLY H . . 4.830 2.513 2.250 2.816 . 0 0 "[ . 1 . 2 ]" 1
1049 1 74 GLU H 1 75 LEU HB2 . . 5.300 4.706 4.403 4.988 . 0 0 "[ . 1 . 2 ]" 1
1050 1 72 ALA MB 1 75 LEU H . . 5.430 4.508 4.369 4.679 . 0 0 "[ . 1 . 2 ]" 1
1051 1 36 ASP H 1 81 ILE H . . 4.260 3.936 3.586 4.300 0.040 17 0 "[ . 1 . 2 ]" 1
1052 1 33 LYS HA 1 83 GLU H . . 5.500 5.255 4.808 5.863 0.363 22 0 "[ . 1 . 2 ]" 1
1053 1 83 GLU H 1 84 LEU HA . . 5.370 4.901 4.769 4.994 . 0 0 "[ . 1 . 2 ]" 1
1054 1 35 TYR QE 1 80 ILE MG . . 3.750 3.354 2.949 3.828 0.078 6 0 "[ . 1 . 2 ]" 1
1055 1 35 TYR QE 1 80 ILE MD . . 5.500 3.218 2.891 3.638 . 0 0 "[ . 1 . 2 ]" 1
1056 1 12 TYR QD 1 17 ILE MG . . 4.040 3.283 2.897 3.549 . 0 0 "[ . 1 . 2 ]" 1
1057 1 17 ILE MG 1 27 TRP HE3 . . 4.220 2.232 2.003 2.781 . 0 0 "[ . 1 . 2 ]" 1
1058 1 9 VAL QG 1 11 TYR QD . . 3.520 3.079 2.308 4.050 0.530 19 1 "[ . 1 . +2 ]" 1
1059 1 9 VAL QG 1 11 TYR QE . . 2.990 2.682 2.246 3.659 0.669 19 1 "[ . 1 . +2 ]" 1
1060 1 12 TYR QD 1 34 VAL QG . . 3.510 2.597 1.905 3.408 . 0 0 "[ . 1 . 2 ]" 1
1061 1 12 TYR QE 1 34 VAL QG . . 4.460 3.673 2.832 4.456 . 0 0 "[ . 1 . 2 ]" 1
1062 1 31 HIS HD2 1 60 THR MG . . 3.400 2.851 1.882 4.489 1.089 1 2 "[+ . 1 - . 2 ]" 1
1063 1 30 LEU QB 1 31 HIS HD2 . . 3.450 3.159 2.560 4.051 0.601 12 2 "[ . - 1 + . 2 ]" 1
1064 1 30 LEU QB 1 35 TYR QE . . 3.400 2.107 1.925 2.300 . 0 0 "[ . 1 . 2 ]" 1
1065 1 27 TRP HZ2 1 34 VAL QG . . 4.550 5.272 4.802 5.603 1.053 8 19 "[** *.* +** ***-********]" 1
1066 1 30 LEU HG 1 35 TYR QD . . 4.530 3.111 2.692 3.490 . 0 0 "[ . 1 . 2 ]" 1
1067 1 30 LEU HG 1 35 TYR QE . . 4.580 4.257 3.670 4.751 0.171 22 0 "[ . 1 . 2 ]" 1
1068 1 35 TYR QE 1 80 ILE QG . . 4.540 4.133 3.739 4.354 . 0 0 "[ . 1 . 2 ]" 1
1069 1 30 LEU QD 1 31 HIS HD2 . . 3.630 4.023 3.423 4.838 1.208 8 6 "[ - ** +*1 * . 2 ]" 1
1070 1 30 LEU QD 1 35 TYR QE . . 3.900 3.447 3.218 3.740 . 0 0 "[ . 1 . 2 ]" 1
1071 1 12 TYR QD 1 81 ILE MD . . 4.650 4.421 3.223 4.851 0.201 11 0 "[ . 1 . 2 ]" 1
1072 1 27 TRP HD1 1 81 ILE MD . . 4.700 3.856 3.132 4.506 . 0 0 "[ . 1 . 2 ]" 1
1073 1 12 TYR QE 1 81 ILE MD . . 4.260 3.606 2.351 4.458 0.198 11 0 "[ . 1 . 2 ]" 1
1074 1 27 TRP HH2 1 81 ILE MD . . 4.580 5.004 4.178 5.966 1.386 10 9 "[** . * + * - * 2** ]" 1
1075 1 31 HIS QB 1 31 HIS HD2 . . 3.250 2.843 2.618 3.272 0.022 14 0 "[ . 1 . 2 ]" 1
1076 1 40 PHE QB 1 79 PHE QE . . 3.680 3.644 2.761 4.346 0.666 21 1 "[ . 1 . 2+ ]" 1
1077 1 40 PHE QB 1 79 PHE QD . . 4.160 4.623 4.173 5.038 0.878 19 10 "[ * 1* -** *+*** ]" 1
1078 1 10 LYS QE 1 12 TYR QE . . 4.570 4.266 2.683 5.280 0.710 23 2 "[ . 1 . 2- +]" 1
1079 1 31 HIS HD2 1 60 THR HA . . 4.450 4.331 2.805 5.982 1.532 1 7 "[+ **. - 1 * .* *2 ]" 1
1080 1 85 HIS HB2 1 85 HIS HD2 . . 3.440 3.407 2.913 3.970 0.530 14 5 "[ . - 1 *+* 2 * ]" 1
1081 1 11 TYR QB 1 85 HIS HD2 . . 3.430 2.517 1.908 4.799 1.369 23 1 "[ . 1 . 2 +]" 1
1082 1 35 TYR QD 1 79 PHE QB . . 3.600 2.328 2.056 2.696 . 0 0 "[ . 1 . 2 ]" 1
1083 1 85 HIS HD2 1 86 PRO QD . . 3.720 3.703 2.150 4.925 1.205 9 2 "[ . +1 . -2 ]" 1
1084 1 11 TYR QD 1 86 PRO QD . . 3.580 2.900 2.058 4.466 0.886 13 1 "[ . 1 + . 2 ]" 1
1085 1 11 TYR QD 1 83 GLU QB . . 3.420 3.433 2.921 5.153 1.733 16 2 "[ . -1 .+ 2 ]" 1
1086 1 33 LYS QB 1 35 TYR QE . . 3.660 2.186 2.047 2.487 . 0 0 "[ . 1 . 2 ]" 1
1087 1 27 TRP HD1 1 36 ASP HB2 . . 3.590 3.134 2.528 3.607 0.017 6 0 "[ . 1 . 2 ]" 1
1088 1 12 TYR QE 1 81 ILE HB . . 4.340 3.656 2.688 4.466 0.126 23 0 "[ . 1 . 2 ]" 1
1089 1 10 LYS QB 1 12 TYR QE . . 3.400 2.780 2.196 3.254 . 0 0 "[ . 1 . 2 ]" 1
1090 1 75 LEU HG 1 79 PHE QE . . 4.900 2.935 2.416 4.177 . 0 0 "[ . 1 . 2 ]" 1
1091 1 30 LEU QB 1 35 TYR QD . . 4.210 2.531 2.160 3.054 . 0 0 "[ . 1 . 2 ]" 1
1092 1 13 THR MG 1 85 HIS HD2 . . 3.850 4.237 3.149 5.526 1.676 22 9 "[ - *. * * *** * 2 + ]" 1
1093 1 10 LYS QG 1 12 TYR QE . . 3.770 3.788 2.696 4.695 0.925 12 4 "[ * . 1 + . *2- ]" 1
1094 1 10 LYS QG 1 12 TYR QD . . 4.020 4.331 3.304 5.703 1.683 2 8 "[ + .* **1 * . -2** ]" 1
1095 1 12 TYR QD 1 34 VAL HB . . 4.330 3.534 3.060 4.127 . 0 0 "[ . 1 . 2 ]" 1
1096 1 78 THR MG 1 79 PHE QD . . 3.510 2.891 2.057 4.359 0.849 3 1 "[ + . 1 . 2 ]" 1
1097 1 31 HIS HE1 1 60 THR MG . . 3.640 3.975 2.935 5.160 1.520 12 9 "[ . ***-+ ** 2* *]" 1
1098 1 12 TYR HA 1 12 TYR QD . . 3.350 2.721 2.386 3.054 . 0 0 "[ . 1 . 2 ]" 1
1099 1 12 TYR HA 1 12 TYR QE . . 4.510 4.569 4.406 4.746 0.236 10 0 "[ . 1 . 2 ]" 1
1100 1 27 TRP HD1 1 36 ASP HA . . 3.260 2.156 1.938 2.617 . 0 0 "[ . 1 . 2 ]" 1
1101 1 12 TYR QE 1 81 ILE HA . . 5.330 5.094 4.487 5.798 0.468 3 0 "[ . 1 . 2 ]" 1
1102 1 35 TYR HA 1 35 TYR QD . . 3.690 2.860 2.470 3.097 . 0 0 "[ . 1 . 2 ]" 1
1103 1 12 TYR QD 1 82 GLY QA . . 4.010 3.043 2.480 3.424 . 0 0 "[ . 1 . 2 ]" 1
1104 1 12 TYR QE 1 82 GLY QA . . 3.450 2.900 1.976 4.242 0.792 8 1 "[ . + 1 . 2 ]" 1
1105 1 30 LEU HA 1 31 HIS HD2 . . 3.940 4.383 3.761 5.469 1.529 4 11 "[*-*+* * 1 * .****2 ]" 1
1106 1 37 LEU HA 1 79 PHE QE . . 3.710 4.359 3.402 5.073 1.363 20 15 "[******* 1* ** -*+** ]" 1
1107 1 25 SER H 1 26 THR HA . . 4.070 4.048 3.968 4.342 0.272 10 0 "[ . 1 . 2 ]" 1
1108 1 35 TYR QD 1 77 LYS HA . . 4.910 4.657 3.808 5.094 0.184 22 0 "[ . 1 . 2 ]" 1
1109 1 85 HIS HA 1 85 HIS HD2 . . 3.690 2.891 2.468 3.759 0.069 23 0 "[ . 1 . 2 ]" 1
1110 1 31 HIS HA 1 31 HIS HD2 . . 4.220 3.795 2.727 4.601 0.381 1 0 "[ . 1 . 2 ]" 1
1111 1 11 TYR QD 1 85 HIS HA . . 3.570 2.480 2.031 3.319 . 0 0 "[ . 1 . 2 ]" 1
1112 1 35 TYR QD 1 79 PHE HA . . 4.330 4.458 4.199 4.763 0.433 8 0 "[ . 1 . 2 ]" 1
1113 1 35 TYR QD 1 80 ILE HA . . 4.170 2.912 2.549 3.347 . 0 0 "[ . 1 . 2 ]" 1
1114 1 40 PHE QD 1 79 PHE QD . . 4.480 4.891 4.249 5.330 0.850 13 11 "[- * . *****+ .** 2 *]" 1
1115 1 40 PHE QD 1 79 PHE QE . . 3.890 3.617 3.143 4.025 0.135 20 0 "[ . 1 . 2 ]" 1
1116 1 12 TYR QD 1 27 TRP HH2 . . 4.180 4.565 4.104 5.261 1.081 23 9 "[* **. 1 * .**- 2* +]" 1
1117 1 35 TYR QD 1 80 ILE H . . 2.900 3.032 2.640 3.619 0.719 1 3 "[+ .* -1 . 2 ]" 1
1118 1 31 HIS HD2 1 35 TYR QE . . 4.790 4.986 2.858 6.363 1.573 12 9 "[ ** *** + *. 2- *]" 1
1119 1 12 TYR QE 1 27 TRP HH2 . . 3.890 3.502 2.827 4.139 0.249 17 0 "[ . 1 . 2 ]" 1
1120 1 27 TRP HA 1 27 TRP HD1 . . 3.200 2.185 2.079 2.339 . 0 0 "[ . 1 . 2 ]" 1
1121 1 12 TYR QE 1 27 TRP HZ3 . . 4.300 3.962 3.141 4.740 0.440 17 0 "[ . 1 . 2 ]" 1
1122 1 11 TYR HA 1 11 TYR QD . . 3.020 2.871 2.093 3.075 0.055 9 0 "[ . 1 . 2 ]" 1
1123 1 12 TYR QD 1 27 TRP HZ3 . . 4.270 3.784 3.365 4.375 0.105 17 0 "[ . 1 . 2 ]" 1
1124 1 17 ILE MG 1 27 TRP HZ3 . . 4.060 2.945 2.269 3.819 . 0 0 "[ . 1 . 2 ]" 1
1125 1 12 TYR QE 1 16 GLU QG . . 4.600 4.427 3.158 6.959 2.359 2 4 "[ + *. * . - 2 ]" 1
1126 1 37 LEU HA 1 40 PHE QD . . 4.430 4.034 2.049 5.164 0.734 13 5 "[ . *** + .- 2 ]" 1
1127 1 39 LYS QG 1 40 PHE QD . . 5.500 6.031 4.485 7.197 1.697 4 12 "[***+.* ****** .- 2 ]" 1
1128 1 78 THR MG 1 79 PHE QE . . 3.630 3.048 2.654 4.502 0.872 3 1 "[ + . 1 . 2 ]" 1
1129 1 79 PHE HA 1 79 PHE QD . . 4.370 2.116 1.899 2.361 . 0 0 "[ . 1 . 2 ]" 1
1130 1 76 SER QB 1 79 PHE QD . . 4.510 3.257 2.557 4.092 . 0 0 "[ . 1 . 2 ]" 1
1131 1 35 TYR HB2 1 79 PHE QD . . 5.490 5.369 4.720 6.282 0.792 1 2 "[+ - . 1 . 2 ]" 1
1132 1 27 TRP HD1 1 34 VAL QG . . 4.820 4.323 3.815 4.736 . 0 0 "[ . 1 . 2 ]" 1
1133 1 59 ALA MB 1 62 ASN QD . . 5.270 4.021 2.266 5.056 . 0 0 "[ . 1 . 2 ]" 1
1134 1 27 TRP HD1 1 81 ILE MG . . 5.190 5.318 4.807 5.978 0.788 16 3 "[ . 1 -+ 2 *]" 1
1135 1 27 TRP HD1 1 36 ASP HB3 . . 4.420 4.400 4.001 4.775 0.355 6 0 "[ . 1 . 2 ]" 1
1136 1 27 TRP HA 1 34 VAL QG . . 4.860 3.945 3.243 4.318 . 0 0 "[ . 1 . 2 ]" 1
1137 1 63 PHE H 1 64 GLU HA . . 5.200 5.388 5.319 5.456 0.256 12 0 "[ . 1 . 2 ]" 1
1138 1 12 TYR HA 1 85 HIS HD2 . . 4.910 4.676 3.320 7.284 2.374 23 8 "[ - . * 1 **** 2 *+]" 1
1139 1 13 THR HA 1 85 HIS HD2 . . 4.380 4.244 2.883 5.857 1.477 13 6 "[ . * 1 +*- 2 **]" 1
1140 1 28 LEU H 1 35 TYR QD . . 4.870 4.967 4.571 5.246 0.376 22 0 "[ . 1 . 2 ]" 1
1141 1 16 GLU QG 1 27 TRP HH2 . . 5.300 5.074 3.757 7.378 2.078 2 3 "[-+ *. 1 . 2 ]" 1
1142 1 17 ILE MG 1 27 TRP HH2 . . 5.490 4.914 4.278 5.829 0.339 23 0 "[ . 1 . 2 ]" 1
1143 1 27 TRP HH2 1 34 VAL QG . . 4.850 5.056 4.619 5.557 0.707 20 4 "[ . * * -. + ]" 1
1144 1 17 ILE HA 1 27 TRP HH2 . . 5.410 5.507 4.685 6.286 0.876 13 6 "[ * .- 1 + . **2 *]" 1
1145 1 12 TYR QB 1 27 TRP HH2 . . 5.250 5.546 4.653 6.196 0.946 23 8 "[* . 1 **.* -** +]" 1
1146 1 35 TYR QE 1 79 PHE QB . . 4.420 4.130 3.755 4.581 0.161 8 0 "[ . 1 . 2 ]" 1
1147 1 78 THR MG 1 79 PHE HZ . . 3.830 3.857 3.386 5.294 1.464 3 2 "[ + . 1 . 2 -]" 1
1148 1 30 LEU HG 1 31 HIS HD2 . . 4.960 6.128 5.432 7.091 2.131 4 22 "[ **+*****************-*]" 1
1149 1 31 HIS HA 1 31 HIS HE1 . . 5.500 5.079 4.566 5.698 0.198 14 0 "[ . 1 . 2 ]" 1
1150 1 60 THR HA 1 63 PHE H . . 4.470 3.327 2.948 3.739 . 0 0 "[ . 1 . 2 ]" 1
1151 1 9 VAL QG 1 12 TYR QE . . 5.500 5.526 4.873 6.375 0.875 3 4 "[ + . * 1-* . 2 ]" 1
1152 1 12 TYR QE 1 17 ILE MG . . 5.500 4.542 4.061 4.895 . 0 0 "[ . 1 . 2 ]" 1
1153 1 17 ILE HB 1 27 TRP HE3 . . 4.540 3.245 2.184 4.189 . 0 0 "[ . 1 . 2 ]" 1
1154 1 27 TRP HE3 1 34 VAL QG . . 4.720 2.897 2.325 3.423 . 0 0 "[ . 1 . 2 ]" 1
1155 1 11 TYR HA 1 82 GLY QA . . 5.500 3.890 3.501 4.131 . 0 0 "[ . 1 . 2 ]" 1
1156 1 10 LYS QB 1 11 TYR HA . . 5.260 4.616 4.167 4.920 . 0 0 "[ . 1 . 2 ]" 1
1157 1 9 VAL QG 1 11 TYR HA . . 4.930 4.002 3.783 4.275 . 0 0 "[ . 1 . 2 ]" 1
1158 1 11 TYR HA 1 11 TYR QE . . 4.300 4.490 4.131 4.615 0.315 9 0 "[ . 1 . 2 ]" 1
1159 1 27 TRP HZ3 1 81 ILE MD . . 5.100 5.053 4.152 5.904 0.804 10 5 "[ . * + * . - 2* ]" 1
1160 1 27 TRP HZ3 1 34 VAL QG . . 4.510 3.980 3.574 4.625 0.115 20 0 "[ . 1 . 2 ]" 1
1161 1 12 TYR QB 1 27 TRP HZ3 . . 5.030 3.983 3.318 4.573 . 0 0 "[ . 1 . 2 ]" 1
1162 1 16 GLU QB 1 27 TRP HZ3 . . 5.500 4.745 3.923 5.443 . 0 0 "[ . 1 . 2 ]" 1
1163 1 16 GLU QG 1 27 TRP HZ3 . . 4.630 3.765 2.505 6.067 1.437 2 3 "[-+ *. 1 . 2 ]" 1
1164 1 17 ILE HA 1 27 TRP HZ3 . . 4.480 3.198 2.369 4.263 . 0 0 "[ . 1 . 2 ]" 1
1165 1 12 TYR HA 1 27 TRP HZ3 . . 5.480 6.154 5.650 6.655 1.175 1 16 "[+ **.*** * *.***-****]" 1
1166 1 17 ILE HB 1 27 TRP HZ3 . . 5.240 4.941 4.001 5.940 0.700 23 2 "[ - . 1 . 2 +]" 1
1167 1 41 LEU QB 1 48 GLU HA . . 4.370 3.571 3.064 4.289 . 0 0 "[ . 1 . 2 ]" 1
1168 1 48 GLU HA 1 49 GLU HA . . 5.100 4.851 4.778 4.903 . 0 0 "[ . 1 . 2 ]" 1
1169 1 42 GLU HA 1 48 GLU HA . . 4.560 5.127 4.582 5.642 1.082 12 13 "[* ** *****+* .* -2 * ]" 1
1170 1 35 TYR QD 1 80 ILE QG . . 5.000 4.539 3.783 4.932 . 0 0 "[ . 1 . 2 ]" 1
1171 1 34 VAL QG 1 81 ILE MD . . 3.680 2.081 1.975 2.223 . 0 0 "[ . 1 . 2 ]" 1
1172 1 36 ASP HB2 1 81 ILE MD . . 3.520 2.077 1.941 2.567 . 0 0 "[ . 1 . 2 ]" 1
1173 1 36 ASP HB3 1 81 ILE MD . . 4.670 2.869 2.365 3.619 . 0 0 "[ . 1 . 2 ]" 1
1174 1 35 TYR HA 1 80 ILE HA . . 3.430 2.414 2.081 2.728 . 0 0 "[ . 1 . 2 ]" 1
1175 1 40 PHE HA 1 43 GLU HB2 . . 3.920 2.433 1.986 3.018 . 0 0 "[ . 1 . 2 ]" 1
1176 1 40 PHE HA 1 43 GLU QG . . 3.850 2.542 1.985 3.445 . 0 0 "[ . 1 . 2 ]" 1
1177 1 30 LEU QD 1 60 THR HA . . 2.970 2.668 2.279 3.297 0.327 12 0 "[ . 1 . 2 ]" 1
1178 1 30 LEU QD 1 59 ALA MB . . 3.380 2.219 1.977 2.551 . 0 0 "[ . 1 . 2 ]" 1
1179 1 34 VAL HB 1 81 ILE MD . . 4.490 2.900 2.579 3.486 . 0 0 "[ . 1 . 2 ]" 1
1180 1 14 LEU HA 1 17 ILE QG . . 3.720 2.349 1.960 2.809 . 0 0 "[ . 1 . 2 ]" 1
1181 1 61 GLU HA 1 62 ASN HA . . 4.730 4.697 4.538 4.801 0.071 8 0 "[ . 1 . 2 ]" 1
1182 1 60 THR HA 1 60 THR MG . . 2.930 2.336 2.237 2.513 . 0 0 "[ . 1 . 2 ]" 1
1183 1 22 HIS HA 1 22 HIS HD2 . . 3.610 3.727 2.282 4.761 1.151 2 10 "[ +* ***- * * . *2 *]" 1
1184 1 20 HIS HA 1 22 HIS HD2 . . 3.360 3.666 2.194 6.749 3.389 16 7 "[ *. *1-* *+ 2 * ]" 1
1185 1 22 HIS HB2 1 22 HIS HD2 . . 3.440 3.116 2.675 3.974 0.534 9 3 "[ . +1 .* 2 - ]" 1
1186 1 21 ASN QB 1 22 HIS HD2 . . 5.500 5.534 4.503 7.083 1.583 2 5 "[ + . ** . -2 *]" 1
1187 1 18 LYS HA 1 19 LYS HA . . 4.790 4.509 4.439 4.635 . 0 0 "[ . 1 . 2 ]" 1
1188 1 52 ARG HA 1 55 ALA MB . . 3.230 2.383 2.146 2.809 . 0 0 "[ . 1 . 2 ]" 1
1189 1 52 ARG HA 1 52 ARG QG . . 3.480 3.389 3.258 3.432 . 0 0 "[ . 1 . 2 ]" 1
1190 1 52 ARG HA 1 52 ARG QD . . 3.880 4.028 3.853 4.502 0.622 13 2 "[- . 1 + . 2 ]" 1
1191 1 52 ARG QD 1 53 GLU QB . . 3.390 3.039 2.329 4.485 1.095 21 3 "[- . 1 * . 2+ ]" 1
1192 1 26 THR MG 1 52 ARG QD . . 5.500 5.837 5.146 6.545 1.045 2 7 "[ + . 1* * . * ** - ]" 1
1193 1 48 GLU QG 1 52 ARG QD . . 5.250 5.239 4.226 7.026 1.776 23 3 "[ * .- 1 . 2 +]" 1
1194 1 28 LEU QD 1 51 LEU HA . . 4.110 2.584 2.212 3.285 . 0 0 "[ . 1 . 2 ]" 1
1195 1 41 LEU QD 1 51 LEU HA . . 4.380 4.413 4.138 4.616 0.236 22 0 "[ . 1 . 2 ]" 1
1196 1 80 ILE HA 1 80 ILE MD . . 3.310 2.872 2.124 3.847 0.537 15 3 "[ *. 1 + 2 -]" 1
1197 1 80 ILE HA 1 80 ILE QG . . 3.910 2.654 2.352 2.886 . 0 0 "[ . 1 . 2 ]" 1
1198 1 80 ILE HA 1 81 ILE MD . . 5.180 3.419 3.006 5.206 0.026 8 0 "[ . 1 . 2 ]" 1
1199 1 80 ILE QG 1 82 GLY QA . . 4.620 3.584 3.277 4.160 . 0 0 "[ . 1 . 2 ]" 1
1200 1 80 ILE MD 1 82 GLY QA . . 5.160 3.776 3.362 4.213 . 0 0 "[ . 1 . 2 ]" 1
1201 1 10 LYS HA 1 10 LYS QE . . 4.270 4.051 2.558 4.839 0.569 13 1 "[ . 1 + . 2 ]" 1
1202 1 50 VAL HA 1 53 GLU HG2 . . 3.720 2.270 2.052 2.639 . 0 0 "[ . 1 . 2 ]" 1
1203 1 77 LYS HA 1 77 LYS QG . . 3.110 2.328 2.193 2.468 . 0 0 "[ . 1 . 2 ]" 1
1204 1 28 LEU QD 1 55 ALA HA . . 3.390 3.159 2.078 3.845 0.455 17 0 "[ . 1 . 2 ]" 1
1205 1 26 THR MG 1 55 ALA HA . . 3.070 3.338 2.866 3.961 0.891 23 4 "[ - . 1 .* * 2 +]" 1
1206 1 53 GLU HA 1 53 GLU HG2 . . 3.930 3.822 3.676 4.038 0.108 12 0 "[ . 1 . 2 ]" 1
1207 1 19 LYS HA 1 19 LYS QD . . 3.480 2.252 1.846 3.333 . 0 0 "[ . 1 . 2 ]" 1
1208 1 19 LYS HA 1 19 LYS QB . . 2.750 2.475 2.392 2.541 . 0 0 "[ . 1 . 2 ]" 1
1209 1 61 GLU HA 1 61 GLU HG3 . . 4.140 3.737 3.395 4.021 . 0 0 "[ . 1 . 2 ]" 1
1210 1 30 LEU QB 1 60 THR HA . . 4.310 3.827 3.418 4.810 0.500 12 0 "[ . 1 . 2 ]" 1
1211 1 59 ALA MB 1 60 THR HA . . 4.490 4.230 4.071 4.310 . 0 0 "[ . 1 . 2 ]" 1
1212 1 30 LEU HG 1 60 THR HA . . 4.800 5.273 4.877 6.010 1.210 12 12 "[ *- ** * * + ** * * *]" 1
1213 1 59 ALA MB 1 62 ASN QB . . 4.070 2.662 2.166 3.297 . 0 0 "[ . 1 . 2 ]" 1
1214 1 17 ILE MD 1 27 TRP H . . 5.400 6.510 5.875 7.386 1.986 9 22 "[*-******+******* ******]" 1
1215 1 42 GLU HA 1 42 GLU QG . . 3.480 3.328 3.303 3.344 . 0 0 "[ . 1 . 2 ]" 1
1216 1 4 GLN HE21 1 4 GLN QG . . 2.830 2.177 2.140 2.228 . 0 0 "[ . 1 . 2 ]" 1
1217 1 4 GLN HE22 1 4 GLN QG . . 3.380 3.224 3.208 3.302 . 0 0 "[ . 1 . 2 ]" 1
1218 1 6 ASP QB 1 7 LYS HA . . 4.700 4.243 3.900 4.586 . 0 0 "[ . 1 . 2 ]" 1
1219 1 8 ASP H 1 8 ASP QB . . 3.230 2.503 2.103 2.731 . 0 0 "[ . 1 . 2 ]" 1
1220 1 8 ASP HA 1 8 ASP QB . . 2.440 2.415 2.254 2.520 0.080 22 0 "[ . 1 . 2 ]" 1
1221 1 8 ASP QB 1 9 VAL H . . 2.970 3.327 2.609 3.824 0.854 6 11 "[ *.+ **** .* **- * ]" 1
1222 1 11 TYR QE 1 86 PRO QG . . 3.770 4.641 3.259 5.676 1.906 21 16 "[** *.* ***-*** * *2+**]" 1
1223 1 11 TYR QE 1 86 PRO QD . . 3.250 3.125 1.978 4.235 0.985 21 5 "[ . 1 *** -2+ ]" 1
1224 1 12 TYR H 1 14 LEU QD . . 5.440 7.311 5.754 7.805 2.365 11 22 [********-1+************] 1
1225 1 12 TYR QB 1 13 THR H . . 3.690 2.490 2.222 2.814 . 0 0 "[ . 1 . 2 ]" 1
1226 1 12 TYR QB 1 17 ILE H . . 4.390 3.736 3.479 3.936 . 0 0 "[ . 1 . 2 ]" 1
1227 1 12 TYR QB 1 17 ILE MG . . 4.030 2.087 1.917 2.299 . 0 0 "[ . 1 . 2 ]" 1
1228 1 13 THR H 1 14 LEU QD . . 5.230 6.355 5.194 6.571 1.341 16 21 "[******** 1**-**+*******]" 1
1229 1 13 THR HA 1 14 LEU QB . . 5.180 4.194 4.122 4.440 . 0 0 "[ . 1 . 2 ]" 1
1230 1 13 THR HA 1 14 LEU QD . . 3.770 4.985 3.187 5.252 1.482 16 21 "[******** 1**-**+*******]" 1
1231 1 14 LEU H 1 14 LEU QB . . 3.210 2.212 2.169 2.233 . 0 0 "[ . 1 . 2 ]" 1
1232 1 14 LEU H 1 88 ASP QB . . 4.600 3.595 3.126 5.177 0.577 9 1 "[ . +1 . 2 ]" 1
1233 1 14 LEU QB 1 15 GLU H . . 3.080 2.513 2.217 2.662 . 0 0 "[ . 1 . 2 ]" 1
1234 1 14 LEU QD 1 16 GLU H . . 5.270 4.890 4.744 5.113 . 0 0 "[ . 1 . 2 ]" 1
1235 1 14 LEU QD 1 17 ILE H . . 5.230 4.863 4.524 5.384 0.154 14 0 "[ . 1 . 2 ]" 1
1236 1 14 LEU QD 1 17 ILE HB . . 5.440 5.253 4.860 6.320 0.880 14 2 "[ . -1 +. 2 ]" 1
1237 1 14 LEU QD 1 17 ILE QG . . 4.090 3.177 2.678 3.997 . 0 0 "[ . 1 . 2 ]" 1
1238 1 14 LEU QD 1 84 LEU H . . 5.340 6.537 5.012 7.185 1.845 11 22 [********-1+************] 1
1239 1 14 LEU QD 1 84 LEU HA . . 4.090 5.262 3.073 5.918 1.828 11 21 "[******** 1+*****-******]" 1
1240 1 14 LEU QD 1 85 HIS H . . 3.420 5.141 2.613 5.750 2.330 11 21 "[******** 1+*******-****]" 1
1241 1 14 LEU QD 1 88 ASP QB . . 3.560 2.661 1.821 3.082 . 0 0 "[ . 1 . 2 ]" 1
1242 1 17 ILE MD 1 56 GLY QA . . 4.550 3.073 2.528 4.399 . 0 0 "[ . 1 . 2 ]" 1
1243 1 18 LYS QB 1 56 GLY QA . . 4.370 3.087 2.610 3.621 . 0 0 "[ . 1 . 2 ]" 1
1244 1 19 LYS H 1 56 GLY QA . . 5.340 4.776 4.502 5.114 . 0 0 "[ . 1 . 2 ]" 1
1245 1 20 HIS H 1 56 GLY QA . . 4.780 4.694 4.134 5.360 0.580 21 2 "[ . - 1 . 2+ ]" 1
1246 1 20 HIS QB 1 22 HIS HD2 . . 5.340 5.239 3.912 7.798 2.458 16 6 "[ -. *1 * *+ 2 * ]" 1
1247 1 21 ASN H 1 25 SER QB . . 5.340 4.966 4.771 5.392 0.052 7 0 "[ . 1 . 2 ]" 1
1248 1 21 ASN H 1 56 GLY QA . . 4.370 4.229 3.733 4.626 0.256 14 0 "[ . 1 . 2 ]" 1
1249 1 21 ASN HA 1 56 GLY QA . . 4.770 4.714 4.028 5.718 0.948 5 3 "[ + 1 .* 2 -]" 1
1250 1 21 ASN QB 1 56 GLY QA . . 4.440 2.736 2.068 3.479 . 0 0 "[ . 1 . 2 ]" 1
1251 1 22 HIS H 1 23 SER QB . . 5.240 5.666 5.095 6.356 1.116 7 9 "[ .*+*-** *. ** ]" 1
1252 1 22 HIS H 1 25 SER QB . . 4.340 3.194 2.244 3.925 . 0 0 "[ . 1 . 2 ]" 1
1253 1 22 HIS HA 1 23 SER QB . . 4.850 4.862 4.547 5.182 0.332 2 0 "[ . 1 . 2 ]" 1
1254 1 23 SER QB 1 24 LYS H . . 4.220 2.988 2.429 3.610 . 0 0 "[ . 1 . 2 ]" 1
1255 1 24 LYS H 1 24 LYS QG . . 3.730 1.960 1.762 2.517 . 0 0 "[ . 1 . 2 ]" 1
1256 1 24 LYS HA 1 24 LYS QG . . 3.540 3.350 3.252 3.456 . 0 0 "[ . 1 . 2 ]" 1
1257 1 24 LYS QG 1 25 SER H . . 3.620 3.515 2.962 3.980 0.360 16 0 "[ . 1 . 2 ]" 1
1258 1 24 LYS QG 1 38 THR MG . . 5.070 4.737 4.374 5.578 0.508 11 1 "[ . 1+ . 2 ]" 1
1259 1 25 SER H 1 25 SER QB . . 3.170 2.973 2.826 3.316 0.146 19 0 "[ . 1 . 2 ]" 1
1260 1 27 TRP H 1 56 GLY QA . . 5.160 4.520 4.049 4.958 . 0 0 "[ . 1 . 2 ]" 1
1261 1 27 TRP HA 1 28 LEU QB . . 5.340 4.025 3.827 4.355 . 0 0 "[ . 1 . 2 ]" 1
1262 1 27 TRP HA 1 28 LEU QD . . 5.440 4.376 3.048 5.143 . 0 0 "[ . 1 . 2 ]" 1
1263 1 28 LEU H 1 28 LEU QB . . 3.690 2.448 2.270 2.591 . 0 0 "[ . 1 . 2 ]" 1
1264 1 28 LEU QB 1 29 ILE H . . 3.170 3.058 2.665 3.336 0.166 10 0 "[ . 1 . 2 ]" 1
1265 1 28 LEU QB 1 30 LEU H . . 5.230 4.707 4.506 4.882 . 0 0 "[ . 1 . 2 ]" 1
1266 1 28 LEU QB 1 30 LEU QD . . 4.590 3.007 2.447 3.325 . 0 0 "[ . 1 . 2 ]" 1
1267 1 28 LEU QB 1 35 TYR H . . 4.330 4.016 3.807 4.265 . 0 0 "[ . 1 . 2 ]" 1
1268 1 28 LEU QB 1 35 TYR QD . . 4.050 4.173 3.857 4.404 0.354 1 0 "[ . 1 . 2 ]" 1
1269 1 28 LEU QB 1 55 ALA HA . . 4.620 4.394 3.935 4.958 0.338 19 0 "[ . 1 . 2 ]" 1
1270 1 28 LEU QB 1 56 GLY H . . 5.170 4.799 4.549 5.347 0.177 12 0 "[ . 1 . 2 ]" 1
1271 1 28 LEU QB 1 57 GLY H . . 5.340 5.309 4.781 5.628 0.288 3 0 "[ . 1 . 2 ]" 1
1272 1 28 LEU QB 1 59 ALA H . . 4.810 4.779 4.036 5.443 0.633 5 2 "[ + - . 2 ]" 1
1273 1 28 LEU QB 1 59 ALA MB . . 4.290 3.853 2.995 4.345 0.055 5 0 "[ . 1 . 2 ]" 1
1274 1 28 LEU QD 1 30 LEU HG . . 4.270 3.357 2.536 4.116 . 0 0 "[ . 1 . 2 ]" 1
1275 1 28 LEU QD 1 30 LEU QD . . 3.620 2.644 2.036 3.210 . 0 0 "[ . 1 . 2 ]" 1
1276 1 28 LEU QD 1 35 TYR H . . 5.440 5.106 4.876 5.334 . 0 0 "[ . 1 . 2 ]" 1
1277 1 28 LEU QD 1 37 LEU H . . 4.590 4.759 3.832 5.425 0.835 20 6 "[ ** 1* -. * + ]" 1
1278 1 28 LEU QD 1 37 LEU QB . . 4.230 4.232 3.911 4.635 0.405 14 0 "[ . 1 . 2 ]" 1
1279 1 28 LEU QD 1 37 LEU QD . . 3.480 1.904 1.734 2.200 . 0 0 "[ . 1 . 2 ]" 1
1280 1 28 LEU QD 1 51 LEU QB . . 4.960 2.600 1.975 3.235 . 0 0 "[ . 1 . 2 ]" 1
1281 1 28 LEU QD 1 52 ARG HA . . 5.440 4.577 3.951 5.282 . 0 0 "[ . 1 . 2 ]" 1
1282 1 28 LEU QD 1 54 GLN QG . . 4.650 3.338 2.967 3.942 . 0 0 "[ . 1 . 2 ]" 1
1283 1 28 LEU QD 1 54 GLN QE . . 5.170 4.926 4.613 5.302 0.132 19 0 "[ . 1 . 2 ]" 1
1284 1 28 LEU QD 1 57 GLY H . . 4.100 3.878 3.154 4.987 0.887 23 1 "[ . 1 . 2 +]" 1
1285 1 28 LEU QD 1 58 ASP H . . 5.440 5.495 4.478 6.978 1.538 23 8 "[* . **1 * .* *-2 +]" 1
1286 1 29 ILE H 1 29 ILE QG . . 4.210 2.636 2.045 3.612 . 0 0 "[ . 1 . 2 ]" 1
1287 1 29 ILE H 1 30 LEU QD . . 5.170 4.193 3.810 4.404 . 0 0 "[ . 1 . 2 ]" 1
1288 1 29 ILE H 1 58 ASP QB . . 4.880 5.008 4.332 5.446 0.566 23 2 "[ . 1 .- 2 +]" 1
1289 1 29 ILE HA 1 29 ILE QG . . 3.510 2.432 2.221 2.669 . 0 0 "[ . 1 . 2 ]" 1
1290 1 29 ILE QG 1 32 HIS HA . . 4.980 4.868 4.306 5.276 0.296 2 0 "[ . 1 . 2 ]" 1
1291 1 29 ILE QG 1 33 LYS H . . 3.840 5.001 4.588 5.535 1.695 2 23 [*+************-********] 1
1292 1 29 ILE QG 1 34 VAL HA . . 5.030 3.060 2.292 3.679 . 0 0 "[ . 1 . 2 ]" 1
1293 1 29 ILE QG 1 34 VAL QG . . 3.670 2.506 2.155 2.884 . 0 0 "[ . 1 . 2 ]" 1
1294 1 29 ILE QG 1 58 ASP HA . . 5.070 3.946 3.317 4.419 . 0 0 "[ . 1 . 2 ]" 1
1295 1 29 ILE QG 1 84 LEU H . . 5.150 5.926 5.071 6.467 1.317 14 19 "[** ****-****+* ****** ]" 1
1296 1 30 LEU HA 1 30 LEU QD . . 4.260 2.141 2.040 2.281 . 0 0 "[ . 1 . 2 ]" 1
1297 1 30 LEU QD 1 35 TYR QD . . 3.740 2.821 2.323 3.224 . 0 0 "[ . 1 . 2 ]" 1
1298 1 30 LEU QD 1 59 ALA H . . 4.000 2.693 2.422 3.107 . 0 0 "[ . 1 . 2 ]" 1
1299 1 30 LEU QD 1 60 THR H . . 3.800 3.242 2.827 3.762 . 0 0 "[ . 1 . 2 ]" 1
1300 1 30 LEU QD 1 60 THR HB . . 4.250 4.710 4.263 5.428 1.178 12 9 "[ * . *** + *. - * *]" 1
1301 1 30 LEU QD 1 60 THR MG . . 3.490 3.798 3.206 4.701 1.211 8 6 "[ * . +-* * *. 2 ]" 1
1302 1 30 LEU QD 1 61 GLU H . . 4.540 4.855 4.567 5.311 0.771 12 3 "[ . * 1 + -. 2 ]" 1
1303 1 30 LEU QD 1 62 ASN H . . 4.670 4.757 4.469 5.062 0.392 8 0 "[ . 1 . 2 ]" 1
1304 1 30 LEU QD 1 63 PHE QB . . 4.110 2.091 1.886 2.349 . 0 0 "[ . 1 . 2 ]" 1
1305 1 30 LEU QD 1 64 GLU H . . 4.450 4.945 4.703 5.249 0.799 14 10 "[ * *.* ***- +. * * ]" 1
1306 1 31 HIS HE1 1 64 GLU QB . . 5.340 5.165 4.121 6.336 0.996 10 5 "[ * + *- 2 * ]" 1
1307 1 32 HIS QB 1 84 LEU H . . 5.340 4.073 3.399 5.098 . 0 0 "[ . 1 . 2 ]" 1
1308 1 37 LEU H 1 37 LEU QB . . 3.330 3.033 2.834 3.179 . 0 0 "[ . 1 . 2 ]" 1
1309 1 37 LEU H 1 37 LEU QD . . 3.520 2.033 1.768 2.514 . 0 0 "[ . 1 . 2 ]" 1
1310 1 37 LEU HA 1 37 LEU QD . . 4.020 3.395 3.362 3.425 . 0 0 "[ . 1 . 2 ]" 1
1311 1 37 LEU QB 1 38 THR H . . 4.190 4.020 4.001 4.042 . 0 0 "[ . 1 . 2 ]" 1
1312 1 37 LEU QB 1 40 PHE H . . 3.650 3.516 3.221 3.740 0.090 3 0 "[ . 1 . 2 ]" 1
1313 1 37 LEU QB 1 40 PHE HA . . 5.210 4.760 4.555 5.113 . 0 0 "[ . 1 . 2 ]" 1
1314 1 37 LEU QB 1 40 PHE QD . . 5.340 3.360 2.276 4.150 . 0 0 "[ . 1 . 2 ]" 1
1315 1 37 LEU QB 1 41 LEU H . . 4.440 4.421 4.073 4.691 0.251 20 0 "[ . 1 . 2 ]" 1
1316 1 37 LEU QB 1 79 PHE QD . . 4.190 3.713 2.232 4.953 0.763 11 1 "[ . 1+ . 2 ]" 1
1317 1 37 LEU QD 1 38 THR H . . 4.600 3.772 3.303 4.138 . 0 0 "[ . 1 . 2 ]" 1
1318 1 37 LEU QD 1 79 PHE QD . . 4.240 4.226 2.799 5.465 1.225 11 4 "[ ** . 1+ . 2 - ]" 1
1319 1 39 LYS H 1 39 LYS QB . . 3.210 2.348 2.249 2.443 . 0 0 "[ . 1 . 2 ]" 1
1320 1 39 LYS QB 1 40 PHE H . . 3.680 3.533 3.392 3.714 0.034 8 0 "[ . 1 . 2 ]" 1
1321 1 40 PHE HA 1 43 GLU QB . . 3.430 2.413 1.977 2.976 . 0 0 "[ . 1 . 2 ]" 1
1322 1 40 PHE QD 1 43 GLU QB . . 4.530 2.837 2.503 3.344 . 0 0 "[ . 1 . 2 ]" 1
1323 1 42 GLU H 1 43 GLU QB . . 4.810 4.519 4.238 4.835 0.025 13 0 "[ . 1 . 2 ]" 1
1324 1 43 GLU H 1 43 GLU QB . . 2.820 2.537 2.367 2.715 . 0 0 "[ . 1 . 2 ]" 1
1325 1 43 GLU H 1 44 HIS QB . . 4.670 3.756 3.376 4.143 . 0 0 "[ . 1 . 2 ]" 1
1326 1 43 GLU QB 1 44 HIS H . . 3.620 3.446 2.949 3.704 0.084 23 0 "[ . 1 . 2 ]" 1
1327 1 44 HIS H 1 44 HIS QB . . 3.650 2.311 2.230 2.394 . 0 0 "[ . 1 . 2 ]" 1
1328 1 47 GLY QA 1 48 GLU HA . . 4.230 3.947 3.929 3.975 . 0 0 "[ . 1 . 2 ]" 1
1329 1 47 GLY QA 1 49 GLU H . . 3.950 3.188 2.918 3.482 . 0 0 "[ . 1 . 2 ]" 1
1330 1 48 GLU H 1 49 GLU QB . . 4.080 3.893 3.663 4.158 0.078 15 0 "[ . 1 . 2 ]" 1
1331 1 48 GLU HA 1 51 LEU QD . . 4.310 2.232 2.044 2.528 . 0 0 "[ . 1 . 2 ]" 1
1332 1 49 GLU H 1 49 GLU QB . . 3.020 2.210 2.042 2.265 . 0 0 "[ . 1 . 2 ]" 1
1333 1 49 GLU H 1 50 VAL QG . . 4.530 3.562 3.400 3.701 . 0 0 "[ . 1 . 2 ]" 1
1334 1 49 GLU QB 1 50 VAL H . . 3.410 2.483 2.322 2.700 . 0 0 "[ . 1 . 2 ]" 1
1335 1 50 VAL H 1 50 VAL QG . . 3.270 1.827 1.781 1.886 . 0 0 "[ . 1 . 2 ]" 1
1336 1 50 VAL QG 1 51 LEU H . . 4.250 2.613 2.454 2.904 . 0 0 "[ . 1 . 2 ]" 1
1337 1 50 VAL QG 1 52 ARG H . . 5.330 4.416 4.260 4.547 . 0 0 "[ . 1 . 2 ]" 1
1338 1 51 LEU H 1 51 LEU QD . . 3.940 3.200 3.082 3.402 . 0 0 "[ . 1 . 2 ]" 1
1339 1 51 LEU HA 1 51 LEU QD . . 3.510 2.097 2.032 2.173 . 0 0 "[ . 1 . 2 ]" 1
1340 1 55 ALA HA 1 56 GLY QA . . 4.390 3.920 3.894 3.993 . 0 0 "[ . 1 . 2 ]" 1
1341 1 55 ALA MB 1 56 GLY QA . . 4.570 3.726 3.577 3.797 . 0 0 "[ . 1 . 2 ]" 1
1342 1 56 GLY H 1 57 GLY QA . . 5.250 4.419 4.332 4.522 . 0 0 "[ . 1 . 2 ]" 1
1343 1 56 GLY QA 1 57 GLY H . . 3.030 2.897 2.835 2.926 . 0 0 "[ . 1 . 2 ]" 1
1344 1 60 THR H 1 61 GLU QG . . 4.730 3.656 3.349 3.922 . 0 0 "[ . 1 . 2 ]" 1
1345 1 60 THR MG 1 61 GLU QG . . 5.290 4.881 4.395 5.325 0.035 19 0 "[ . 1 . 2 ]" 1
1346 1 60 THR MG 1 64 GLU QB . . 4.400 3.789 2.971 4.840 0.440 12 0 "[ . 1 . 2 ]" 1
1347 1 60 THR MG 1 64 GLU QG . . 4.430 3.065 2.286 3.699 . 0 0 "[ . 1 . 2 ]" 1
1348 1 61 GLU H 1 61 GLU QG . . 3.040 1.872 1.616 2.202 . 0 0 "[ . 1 . 2 ]" 1
1349 1 61 GLU HA 1 61 GLU QG . . 3.420 3.315 3.242 3.352 . 0 0 "[ . 1 . 2 ]" 1
1350 1 61 GLU HA 1 64 GLU QB . . 3.770 4.513 3.504 5.021 1.251 12 19 "[****.****1*+* ******- *]" 1
1351 1 61 GLU HA 1 64 GLU QG . . 4.790 2.834 2.401 4.538 . 0 0 "[ . 1 . 2 ]" 1
1352 1 61 GLU QG 1 62 ASN QB . . 4.330 3.162 2.727 4.498 0.168 4 0 "[ . 1 . 2 ]" 1
1353 1 62 ASN H 1 63 PHE QB . . 4.260 4.093 3.779 4.446 0.186 8 0 "[ . 1 . 2 ]" 1
1354 1 62 ASN H 1 64 GLU QG . . 5.340 4.536 4.206 5.228 . 0 0 "[ . 1 . 2 ]" 1
1355 1 62 ASN HA 1 64 GLU QG . . 4.740 4.874 4.320 6.084 1.344 5 5 "[ + * - *. 2 * ]" 1
1356 1 63 PHE H 1 63 PHE QB . . 3.220 2.194 2.159 2.227 . 0 0 "[ . 1 . 2 ]" 1
1357 1 63 PHE H 1 64 GLU QG . . 4.570 3.973 3.714 4.207 . 0 0 "[ . 1 . 2 ]" 1
1358 1 63 PHE QB 1 64 GLU H . . 4.250 2.393 2.325 2.505 . 0 0 "[ . 1 . 2 ]" 1
1359 1 64 GLU H 1 64 GLU QB . . 3.190 2.711 2.499 2.976 . 0 0 "[ . 1 . 2 ]" 1
1360 1 64 GLU H 1 64 GLU QG . . 3.460 1.904 1.554 2.146 . 0 0 "[ . 1 . 2 ]" 1
1361 1 64 GLU HA 1 64 GLU QG . . 3.660 3.248 2.540 3.352 . 0 0 "[ . 1 . 2 ]" 1
1362 1 64 GLU HA 1 67 GLY QA . . 5.010 3.416 3.065 3.841 . 0 0 "[ . 1 . 2 ]" 1
1363 1 64 GLU QB 1 65 ASP H . . 3.650 3.477 2.695 3.701 0.051 21 0 "[ . 1 . 2 ]" 1
1364 1 64 GLU QB 1 66 VAL H . . 5.340 5.270 4.900 5.528 0.188 21 0 "[ . 1 . 2 ]" 1
1365 1 64 GLU QG 1 65 ASP H . . 2.840 2.794 2.334 4.127 1.287 5 5 "[ + * * -. 2 * ]" 1
1366 1 64 GLU QG 1 65 ASP HA . . 4.990 3.990 3.261 5.762 0.772 5 3 "[ + * . 2 - ]" 1
1367 1 66 VAL HA 1 67 GLY QA . . 4.650 4.294 4.258 4.323 . 0 0 "[ . 1 . 2 ]" 1
1368 1 69 SER QB 1 70 THR H . . 3.390 2.503 2.338 2.763 . 0 0 "[ . 1 . 2 ]" 1
1369 1 69 SER QB 1 71 ASP H . . 3.630 2.649 2.316 3.014 . 0 0 "[ . 1 . 2 ]" 1
1370 1 69 SER QB 1 72 ALA H . . 4.730 2.852 2.190 3.349 . 0 0 "[ . 1 . 2 ]" 1
1371 1 69 SER QB 1 73 ARG H . . 5.300 4.765 4.247 5.223 . 0 0 "[ . 1 . 2 ]" 1
1372 1 70 THR HA 1 73 ARG QB . . 3.610 4.207 3.967 4.465 0.855 6 17 "[*** *+**-1*** ** **2 **]" 1
1373 1 70 THR HB 1 71 ASP QB . . 4.630 4.128 3.754 4.767 0.137 20 0 "[ . 1 . 2 ]" 1
1374 1 70 THR MG 1 73 ARG QB . . 4.450 4.942 4.744 5.297 0.847 23 10 "[*** .* * 1 - * ** +]" 1
1375 1 71 ASP H 1 71 ASP QB . . 2.820 2.254 2.165 2.316 . 0 0 "[ . 1 . 2 ]" 1
1376 1 71 ASP HA 1 74 GLU QG . . 3.740 3.251 2.639 3.695 . 0 0 "[ . 1 . 2 ]" 1
1377 1 71 ASP QB 1 72 ALA H . . 3.380 2.707 2.445 2.868 . 0 0 "[ . 1 . 2 ]" 1
1378 1 72 ALA H 1 73 ARG QB . . 4.780 5.089 4.952 5.215 0.435 6 0 "[ . 1 . 2 ]" 1
1379 1 73 ARG H 1 73 ARG QB . . 3.440 2.641 2.527 2.722 . 0 0 "[ . 1 . 2 ]" 1
1380 1 73 ARG H 1 74 GLU QG . . 4.730 4.341 3.982 4.644 . 0 0 "[ . 1 . 2 ]" 1
1381 1 73 ARG QB 1 74 GLU HA . . 4.770 4.358 4.187 4.528 . 0 0 "[ . 1 . 2 ]" 1
1382 1 73 ARG QB 1 74 GLU QG . . 4.720 4.348 4.042 4.587 . 0 0 "[ . 1 . 2 ]" 1
1383 1 75 LEU H 1 75 LEU QB . . 2.960 2.234 2.199 2.268 . 0 0 "[ . 1 . 2 ]" 1
1384 1 75 LEU H 1 75 LEU QD . . 4.920 3.732 3.695 3.763 . 0 0 "[ . 1 . 2 ]" 1
1385 1 75 LEU QB 1 76 SER H . . 3.460 2.793 2.564 3.000 . 0 0 "[ . 1 . 2 ]" 1
1386 1 75 LEU QD 1 76 SER H . . 5.060 4.036 3.901 4.250 . 0 0 "[ . 1 . 2 ]" 1
1387 1 75 LEU QD 1 78 THR H . . 4.650 4.447 4.102 4.831 0.181 5 0 "[ . 1 . 2 ]" 1
1388 1 75 LEU QD 1 79 PHE QE . . 5.000 2.972 2.465 3.719 . 0 0 "[ . 1 . 2 ]" 1
1389 1 83 GLU HA 1 84 LEU QB . . 4.570 4.372 4.110 4.657 0.087 13 0 "[ . 1 . 2 ]" 1
1390 1 83 GLU QB 1 84 LEU QB . . 5.060 3.912 3.721 4.300 . 0 0 "[ . 1 . 2 ]" 1
1391 1 84 LEU H 1 84 LEU QB . . 3.570 2.198 2.093 2.458 . 0 0 "[ . 1 . 2 ]" 1
1392 1 84 LEU QB 1 89 ARG QB . . 5.180 3.397 2.793 4.785 . 0 0 "[ . 1 . 2 ]" 1
1393 1 85 HIS H 1 86 PRO QD . . 4.740 4.385 4.289 4.443 . 0 0 "[ . 1 . 2 ]" 1
1394 1 85 HIS HA 1 86 PRO QG . . 4.590 3.969 3.843 4.079 . 0 0 "[ . 1 . 2 ]" 1
1395 1 85 HIS HA 1 89 ARG QB . . 5.340 5.117 4.778 6.553 1.213 3 2 "[ + . 1 -. 2 ]" 1
1396 1 85 HIS HB2 1 86 PRO QD . . 4.590 3.772 3.346 4.019 . 0 0 "[ . 1 . 2 ]" 1
1397 1 85 HIS HE1 1 86 PRO QD . . 4.890 5.175 3.793 6.687 1.797 13 8 "[ *. * * +** - * ]" 1
1398 1 86 PRO HA 1 89 ARG QB . . 3.310 2.412 2.093 3.124 . 0 0 "[ . 1 . 2 ]" 1
1399 1 86 PRO QG 1 87 ASP H . . 4.620 2.445 2.307 2.592 . 0 0 "[ . 1 . 2 ]" 1
1400 1 86 PRO QD 1 89 ARG QB . . 5.140 4.723 4.431 5.641 0.501 3 1 "[ + . 1 . 2 ]" 1
1401 1 87 ASP H 1 87 ASP QB . . 3.470 2.569 2.253 2.788 . 0 0 "[ . 1 . 2 ]" 1
1402 1 87 ASP H 1 89 ARG QB . . 4.810 4.662 4.284 5.350 0.540 14 1 "[ . 1 +. 2 ]" 1
1403 1 87 ASP QB 1 88 ASP H . . 4.080 2.782 2.418 3.273 . 0 0 "[ . 1 . 2 ]" 1
1404 1 88 ASP H 1 88 ASP QB . . 3.300 2.414 2.278 2.534 . 0 0 "[ . 1 . 2 ]" 1
1405 1 88 ASP H 1 89 ARG QB . . 4.130 3.923 3.576 4.349 0.219 8 0 "[ . 1 . 2 ]" 1
1406 1 88 ASP QB 1 89 ARG H . . 3.860 3.487 3.088 3.675 . 0 0 "[ . 1 . 2 ]" 1
1407 1 88 ASP QB 1 89 ARG QG . . 5.260 4.902 2.950 5.472 0.212 19 0 "[ . 1 . 2 ]" 1
1408 1 89 ARG H 1 89 ARG QB . . 2.890 2.462 2.268 2.615 . 0 0 "[ . 1 . 2 ]" 1
1409 1 92 LEU H 1 92 LEU QD . . 3.430 2.428 2.217 2.787 . 0 0 "[ . 1 . 2 ]" 1
1410 1 94 LYS QB 1 95 PRO QD . . 3.820 2.682 2.127 3.518 . 0 0 "[ . 1 . 2 ]" 1
1411 1 94 LYS QD 1 95 PRO QD . . 4.810 4.594 3.141 5.140 0.330 1 0 "[ . 1 . 2 ]" 1
1412 1 95 PRO QB 1 96 MET H . . 3.950 2.951 2.062 3.537 . 0 0 "[ . 1 . 2 ]" 1
1413 1 95 PRO QB 1 97 GLU H . . 4.730 4.394 3.581 4.850 0.120 20 0 "[ . 1 . 2 ]" 1
1414 1 96 MET H 1 96 MET QB . . 3.140 2.416 2.273 2.628 . 0 0 "[ . 1 . 2 ]" 1
1415 1 96 MET QB 1 97 GLU H . . 3.670 2.050 1.817 2.268 . 0 0 "[ . 1 . 2 ]" 1
1416 1 97 GLU H 1 97 GLU QB . . 3.190 2.999 2.921 3.288 0.098 5 0 "[ . 1 . 2 ]" 1
1417 1 97 GLU QB 1 98 THR H . . 3.830 3.904 3.569 4.027 0.197 1 0 "[ . 1 . 2 ]" 1
1418 1 98 THR H 1 99 LEU QD . . 5.440 4.987 4.396 5.493 0.053 5 0 "[ . 1 . 2 ]" 1
1419 1 99 LEU H 1 99 LEU QD . . 3.700 3.130 2.779 3.689 . 0 0 "[ . 1 . 2 ]" 1
1420 1 104 ASP H 1 104 ASP QB . . 3.390 2.786 2.139 3.106 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 18.140
_Distance_constraint_stats_list.Viol_max 0.098
_Distance_constraint_stats_list.Viol_rms 0.0194
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0343
_Distance_constraint_stats_list.Viol_average_violations_only 0.0358
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 44 HIS 0.789 0.098 9 0 "[ . 1 . 2 ]"
2 1 HEM 0.789 0.098 9 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 44 HIS HE1 2 1 HEM HAC 5.000 3.000 5.000 5.034 5.000 5.098 0.098 9 0 "[ . 1 . 2 ]" 2
stop_
save_
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