Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
500043 | 2l6b RC | 17306 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l6b
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 1376
_Distance_constraint_stats_list.Viol_count 6120
_Distance_constraint_stats_list.Viol_total 23843.676
_Distance_constraint_stats_list.Viol_max 1.554
_Distance_constraint_stats_list.Viol_rms 0.1203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0433
_Distance_constraint_stats_list.Viol_average_violations_only 0.1948
_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 TRP 0.161 0.085 19 0 "[ . 1 . 2]"
1 5 GLY 0.161 0.085 19 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 4.469 0.656 15 1 "[ . 1 + 2]"
1 8 ASP 6.093 0.493 7 0 "[ . 1 . 2]"
1 9 GLY 2.806 0.409 7 0 "[ . 1 . 2]"
1 10 ASN 13.125 0.656 15 1 "[ . 1 + 2]"
1 11 THR 11.030 0.499 2 0 "[ . 1 . 2]"
1 12 PRO 15.321 1.115 1 7 "[+ ***-*1 * . 2]"
1 13 LEU 22.751 1.210 7 11 "[ * **+**1* * * -* 2]"
1 14 HIS 20.463 1.210 7 5 "[ . +*-1 * * 2]"
1 15 ASN 30.306 0.820 17 8 "[ ***- 1 * * +* 2]"
1 16 ALA 41.584 1.225 17 14 "[ * **** *******+- 2]"
1 17 ALA 22.577 0.756 17 4 "[ *. * 1 - . + 2]"
1 18 LYS 20.717 0.968 19 8 "[ -* ** 1 ** * +2]"
1 19 ASN 31.045 1.028 7 6 "[ * * + 1 -* * 2]"
1 20 GLY 11.080 0.482 7 0 "[ . 1 . 2]"
1 21 HIS 27.468 0.756 17 8 "[ * . -* 1 ** +* *]"
1 22 ALA 15.558 0.576 1 3 "[+ . - *1 . 2]"
1 23 GLU 21.528 0.806 4 5 "[ * +. - *1 * . 2]"
1 24 GLU 39.463 1.079 6 16 "[****.+-* ** *******]"
1 25 VAL 58.688 1.113 14 17 "[*********** *+. *-**]"
1 26 LYS 27.675 1.079 6 6 "[ * .+** 1 * . -]"
1 27 LYS 32.636 1.113 14 12 "[ ***.*-* * +* ** *]"
1 28 LEU 67.431 1.225 17 17 "[** ************+-*2]"
1 29 LEU 53.095 1.036 3 16 "[ +**** ******.****-]"
1 30 SER 39.084 0.910 6 12 "[ * **+ -*** *. ***]"
1 31 LYS 50.067 0.995 16 13 "[** *** **- **.+ * *]"
1 32 GLY 12.318 0.981 2 2 "[ + . 1 -. 2]"
1 33 ALA 29.803 0.959 5 7 "[* +** 1 .* * -]"
1 34 ASP 8.396 0.775 18 2 "[ * 1 . + 2]"
1 35 VAL 18.839 0.653 8 6 "[ . +*1 -*** 2]"
1 36 ASN 12.546 0.592 17 2 "[ . -1 . + 2]"
1 37 ALA 10.979 0.613 13 1 "[ . 1 + . 2]"
1 38 ARG 16.224 1.136 13 3 "[ . 1 + * * 2]"
1 39 SER 12.457 0.944 15 1 "[ . 1 + 2]"
1 40 LYS 15.409 0.944 15 3 "[ . * + *2]"
1 41 ASP 3.637 0.733 1 2 "[+ . 1 - 2]"
1 42 GLY 12.887 0.518 14 2 "[ . 1 +.- 2]"
1 43 ASN 16.873 0.935 19 2 "[* . 1 . +2]"
1 44 THR 29.976 0.906 15 3 "[ . 1* + - 2]"
1 45 PRO 12.757 0.767 17 4 "[ . -1* * + 2]"
1 46 LEU 39.190 1.046 20 13 "[* - . **********+]"
1 47 HIS 21.020 0.935 19 4 "[- . 1 * . *+2]"
1 48 LEU 37.421 0.968 19 10 "[* ** 1 -*** **+2]"
1 49 ALA 25.839 0.949 20 4 "[ . 1 * - *+]"
1 50 ALA 11.000 0.471 13 0 "[ . 1 . 2]"
1 51 LYS 36.883 1.554 18 11 "[- .* * 1** ** *+**]"
1 52 ASN 14.773 1.102 8 5 "[ .* + 1* . - *]"
1 53 GLY 9.780 0.467 7 0 "[ . 1 . 2]"
1 54 HIS 18.877 0.879 7 6 "[ -.*+ * * .* 2]"
1 55 ALA 10.608 0.668 1 2 "[+ . - 1 . 2]"
1 56 GLU 18.081 0.807 9 6 "[** . * +1 * - 2]"
1 57 ILE 45.185 0.988 7 6 "[* -. + 1 ** . *]"
1 58 VAL 23.732 0.800 20 2 "[ . 1 . - +]"
1 59 LYS 36.369 1.174 2 12 "[*+* . * *1 ***- ***]"
1 60 LEU 37.196 1.174 2 12 "[*+- .** 1***** **2]"
1 61 LEU 39.039 1.046 20 8 "[* ** 1 *** - +]"
1 62 LEU 24.482 0.541 4 1 "[ +. 1 . 2]"
1 63 ALA 28.447 1.428 11 6 "[ *. *-+ * * 2]"
1 64 LYS 67.757 1.428 11 13 "[ *- **+**** ****]"
1 65 GLY 11.394 0.741 17 1 "[ . 1 . + 2]"
1 66 ALA 28.445 0.816 20 10 "[ -*. * * ***** +]"
1 67 ASP 9.936 0.470 10 0 "[ . 1 . 2]"
1 68 VAL 9.170 0.615 20 1 "[ . 1 . +]"
1 69 ASN 8.589 0.404 6 0 "[ . 1 . 2]"
1 70 ALA 17.492 0.799 7 3 "[ . +* 1 - . 2]"
1 71 ARG 23.329 0.754 10 3 "[ . * + - . 2]"
1 72 SER 15.017 0.573 3 4 "[ +*. 1 .* -]"
1 73 LYS 24.751 0.733 1 6 "[+ **. 1 *.- *]"
1 74 ASP 1.584 0.257 12 0 "[ . 1 . 2]"
1 75 GLY 10.596 0.754 10 2 "[ . - + . 2]"
1 76 ASN 12.155 0.474 9 0 "[ . 1 . 2]"
1 77 THR 27.717 0.799 7 6 "[ . +* * * . **]"
1 78 PRO 9.402 0.813 15 5 "[-* .* 1 + *]"
1 79 GLU 30.778 0.725 20 9 "[ ** ***1 *-.* +]"
1 80 HIS 37.220 1.248 14 15 "[******-**1 **+** *]"
1 81 LEU 40.231 1.554 18 12 "[* * .*-* 1 * *** +**]"
1 82 ALA 15.284 0.759 1 6 "[+ . - 1 ** **]"
1 83 LYS 35.221 0.857 8 10 "[ **** + * *-** 2]"
1 84 LYS 32.421 1.248 14 13 "[*** *** ** *-+* * 2]"
1 85 ASN 37.693 0.879 6 16 "[**-**+* ** **** * **]"
1 86 GLY 15.300 0.685 3 2 "[ + . - . 2]"
1 87 HIS 16.186 0.879 6 2 "[ - .+ 1 . 2]"
1 88 HIS 3.362 0.330 8 0 "[ . 1 . 2]"
1 89 GLU 10.737 0.546 19 1 "[ . 1 . +2]"
1 90 ILE 39.280 0.760 16 5 "[ * . 1* .+* *]"
1 91 VAL 48.130 0.806 5 8 "[ - + * 1* * *** 2]"
1 92 LYS 23.605 1.140 20 9 "[ * . - ** * . ***+]"
1 93 LEU 23.048 0.932 18 10 "[ ***. - *1 * .**+*2]"
1 94 LEU 31.623 1.140 20 6 "[ * .** 1 * - +]"
1 95 ASP 18.638 0.615 20 4 "[* . -* . +]"
1 96 ALA 3.987 0.272 16 0 "[ . 1 . 2]"
1 97 LYS 16.939 0.864 19 4 "[ . 1-* . *+2]"
1 98 GLY 8.827 0.547 11 3 "[* . -+ . 2]"
1 99 ALA 5.932 0.479 19 0 "[ . 1 . 2]"
1 100 ASP 5.666 0.479 19 0 "[ . 1 . 2]"
1 101 VAL 11.204 0.552 13 6 "[ * * *1- +*. 2]"
1 102 ASN 4.882 0.256 15 0 "[ . 1 . 2]"
1 103 ALA 1.189 0.143 2 0 "[ . 1 . 2]"
1 104 ARG 3.956 0.321 3 0 "[ . 1 . 2]"
1 105 SER 2.513 0.307 11 0 "[ . 1 . 2]"
1 106 TRP 0.520 0.095 10 0 "[ . 1 . 2]"
1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 TRP HA 1 5 GLY QA 4.880 . 4.880 4.118 3.940 4.265 . 0 0 "[ . 1 . 2]" 1
2 1 4 TRP QB 1 5 GLY QA 4.340 . 4.340 4.004 3.501 4.425 0.085 19 0 "[ . 1 . 2]" 1
3 1 5 GLY H 1 6 SER H 4.340 . 4.340 3.118 1.500 4.194 . 0 0 "[ . 1 . 2]" 1
4 1 5 GLY QA 1 6 SER H 3.240 . 3.240 2.437 2.120 2.924 . 0 0 "[ . 1 . 2]" 1
5 1 7 LYS H 1 7 LYS QG 4.880 . 4.880 2.887 1.806 4.422 . 0 0 "[ . 1 . 2]" 1
6 1 7 LYS HA 1 7 LYS QD 4.130 . 4.130 3.734 2.296 4.353 0.223 19 0 "[ . 1 . 2]" 1
7 1 7 LYS HA 1 7 LYS QG 3.640 . 3.640 2.857 2.247 3.424 . 0 0 "[ . 1 . 2]" 1
8 1 7 LYS HA 1 8 ASP H 3.210 . 3.210 2.675 2.145 3.525 0.315 14 0 "[ . 1 . 2]" 1
9 1 7 LYS HA 1 8 ASP QB 4.880 . 4.880 4.458 3.963 5.065 0.185 15 0 "[ . 1 . 2]" 1
10 1 7 LYS HA 1 9 GLY H 5.000 . 5.000 4.538 3.492 5.031 0.031 7 0 "[ . 1 . 2]" 1
11 1 7 LYS QB 1 9 GLY H 4.960 . 4.960 3.426 2.486 4.731 . 0 0 "[ . 1 . 2]" 1
12 1 7 LYS QB 1 10 ASN H 5.000 . 5.000 4.679 3.559 5.656 0.656 15 1 "[ . 1 + 2]" 1
13 1 8 ASP H 1 8 ASP QB 3.350 . 3.350 2.829 2.323 3.332 . 0 0 "[ . 1 . 2]" 1
14 1 8 ASP H 1 9 GLY H 3.710 . 3.710 2.849 1.905 3.857 0.147 4 0 "[ . 1 . 2]" 1
15 1 8 ASP H 1 40 LYS QD 5.000 . 5.000 4.548 1.787 5.289 0.289 16 0 "[ . 1 . 2]" 1
16 1 8 ASP HA 1 9 GLY H 3.450 . 3.450 2.909 2.313 3.533 0.083 4 0 "[ . 1 . 2]" 1
17 1 8 ASP HA 1 9 GLY HA2 5.000 . 5.000 4.804 4.325 5.273 0.273 17 0 "[ . 1 . 2]" 1
18 1 8 ASP HA 1 9 GLY QA 4.300 . 4.300 4.127 3.931 4.325 0.025 17 0 "[ . 1 . 2]" 1
19 1 8 ASP HA 1 9 GLY HA3 5.000 . 5.000 4.518 4.301 4.839 . 0 0 "[ . 1 . 2]" 1
20 1 8 ASP HA 1 10 ASN H 5.000 . 5.000 4.219 2.929 5.493 0.493 7 0 "[ . 1 . 2]" 1
21 1 8 ASP HA 1 40 LYS QD 3.910 . 3.910 3.096 2.312 4.195 0.285 7 0 "[ . 1 . 2]" 1
22 1 8 ASP HA 1 40 LYS QE 4.710 . 4.710 3.790 2.323 4.976 0.266 1 0 "[ . 1 . 2]" 1
23 1 8 ASP HA 1 40 LYS QG 4.630 . 4.630 3.629 2.273 4.651 0.021 19 0 "[ . 1 . 2]" 1
24 1 8 ASP QB 1 10 ASN H 4.760 . 4.760 3.547 2.403 5.106 0.346 19 0 "[ . 1 . 2]" 1
25 1 8 ASP QB 1 40 LYS QG 4.880 . 4.880 3.658 2.078 4.976 0.096 3 0 "[ . 1 . 2]" 1
26 1 8 ASP HB2 1 40 LYS QD 5.000 . 5.000 3.817 2.281 5.084 0.084 15 0 "[ . 1 . 2]" 1
27 1 8 ASP HB3 1 40 LYS QD 5.000 . 5.000 3.509 2.199 5.088 0.088 8 0 "[ . 1 . 2]" 1
28 1 9 GLY H 1 10 ASN H 3.200 . 3.200 2.604 1.447 3.377 0.177 10 0 "[ . 1 . 2]" 1
29 1 9 GLY H 1 40 LYS QD 5.000 . 5.000 4.018 1.828 5.317 0.317 10 0 "[ . 1 . 2]" 1
30 1 9 GLY H 1 40 LYS QG 5.000 . 5.000 4.275 2.849 5.084 0.084 17 0 "[ . 1 . 2]" 1
31 1 9 GLY QA 1 40 LYS QG 4.620 . 4.620 4.001 2.935 5.029 0.409 7 0 "[ . 1 . 2]" 1
32 1 10 ASN H 1 10 ASN HA 2.860 . 2.860 2.804 2.596 2.938 0.078 19 0 "[ . 1 . 2]" 1
33 1 10 ASN H 1 10 ASN HB2 3.210 . 3.210 2.761 2.170 3.556 0.346 9 0 "[ . 1 . 2]" 1
34 1 10 ASN H 1 10 ASN QB 2.630 . 2.630 2.404 2.131 2.808 0.178 7 0 "[ . 1 . 2]" 1
35 1 10 ASN H 1 39 SER HA 5.000 . 5.000 4.528 3.792 5.074 0.074 16 0 "[ . 1 . 2]" 1
36 1 10 ASN H 1 39 SER QB 4.880 . 4.880 4.006 3.037 4.948 0.068 3 0 "[ . 1 . 2]" 1
37 1 10 ASN HA 1 11 THR H 2.650 . 2.650 2.387 2.198 2.741 0.091 3 0 "[ . 1 . 2]" 1
38 1 10 ASN HA 1 11 THR MG 4.920 . 4.920 4.313 3.826 5.129 0.209 2 0 "[ . 1 . 2]" 1
39 1 10 ASN HA 1 14 HIS QB 4.500 . 4.500 3.797 3.300 4.529 0.029 18 0 "[ . 1 . 2]" 1
40 1 10 ASN HA 1 39 SER H 4.780 . 4.780 4.867 4.525 5.118 0.338 13 0 "[ . 1 . 2]" 1
41 1 10 ASN HA 1 39 SER HA 3.620 . 3.620 2.856 2.201 3.623 0.003 9 0 "[ . 1 . 2]" 1
42 1 10 ASN HA 1 39 SER HB2 4.610 . 4.610 3.365 2.324 4.651 0.041 14 0 "[ . 1 . 2]" 1
43 1 10 ASN HA 1 39 SER QB 4.020 . 4.020 2.781 2.099 3.803 . 0 0 "[ . 1 . 2]" 1
44 1 10 ASN HA 1 39 SER HB3 4.610 . 4.610 3.252 2.324 4.746 0.136 3 0 "[ . 1 . 2]" 1
45 1 10 ASN QB 1 11 THR H 3.600 . 3.600 2.775 1.921 3.677 0.077 14 0 "[ . 1 . 2]" 1
46 1 10 ASN QB 1 14 HIS QB 3.600 . 3.600 3.116 2.246 3.726 0.126 10 0 "[ . 1 . 2]" 1
47 1 10 ASN QB 1 15 ASN H 4.120 . 4.120 4.208 3.652 4.541 0.421 15 0 "[ . 1 . 2]" 1
48 1 10 ASN QB 1 39 SER HA 4.880 . 4.880 4.515 3.478 5.125 0.245 17 0 "[ . 1 . 2]" 1
49 1 11 THR H 1 14 HIS H 3.940 . 3.940 3.581 2.985 4.226 0.286 18 0 "[ . 1 . 2]" 1
50 1 11 THR H 1 14 HIS HB2 3.850 . 3.850 2.825 1.924 3.954 0.104 5 0 "[ . 1 . 2]" 1
51 1 11 THR H 1 14 HIS QB 3.140 . 3.140 2.358 1.694 2.975 . 0 0 "[ . 1 . 2]" 1
52 1 11 THR H 1 14 HIS HB3 3.850 . 3.850 3.185 1.701 4.041 0.191 14 0 "[ . 1 . 2]" 1
53 1 11 THR HA 1 11 THR MG 2.860 . 2.860 2.193 2.115 2.238 . 0 0 "[ . 1 . 2]" 1
54 1 11 THR HA 1 12 PRO HA 4.760 . 4.760 4.419 4.336 4.488 . 0 0 "[ . 1 . 2]" 1
55 1 11 THR HA 1 12 PRO QB 5.000 . 5.000 4.760 4.568 4.920 . 0 0 "[ . 1 . 2]" 1
56 1 11 THR HA 1 12 PRO HD2 3.720 . 3.720 2.529 2.188 3.509 . 0 0 "[ . 1 . 2]" 1
57 1 11 THR HA 1 12 PRO HD3 3.490 . 3.490 2.421 2.170 2.795 . 0 0 "[ . 1 . 2]" 1
58 1 11 THR HA 1 12 PRO HG2 4.960 . 4.960 4.567 4.316 4.845 . 0 0 "[ . 1 . 2]" 1
59 1 11 THR HA 1 12 PRO HG3 5.000 . 5.000 4.494 3.992 4.640 . 0 0 "[ . 1 . 2]" 1
60 1 11 THR HB 1 12 PRO HA 4.670 . 4.670 4.815 4.679 5.000 0.330 11 0 "[ . 1 . 2]" 1
61 1 11 THR HB 1 12 PRO QB 5.000 . 5.000 4.631 3.737 5.181 0.181 19 0 "[ . 1 . 2]" 1
62 1 11 THR HB 1 12 PRO HD2 3.440 . 3.440 2.465 2.190 3.357 . 0 0 "[ . 1 . 2]" 1
63 1 11 THR HB 1 12 PRO HG2 4.780 . 4.780 4.052 3.330 4.975 0.195 17 0 "[ . 1 . 2]" 1
64 1 11 THR HB 1 12 PRO HG3 5.000 . 5.000 4.949 4.526 5.499 0.499 2 0 "[ . 1 . 2]" 1
65 1 11 THR HB 1 13 LEU H 3.350 . 3.350 2.560 2.237 3.688 0.338 6 0 "[ . 1 . 2]" 1
66 1 11 THR HB 1 14 HIS H 3.140 . 3.140 3.150 2.448 3.578 0.438 8 0 "[ . 1 . 2]" 1
67 1 11 THR MG 1 12 PRO HD2 3.720 . 3.720 2.389 2.009 3.182 . 0 0 "[ . 1 . 2]" 1
68 1 11 THR MG 1 12 PRO HD3 4.780 . 4.780 3.233 2.198 3.596 . 0 0 "[ . 1 . 2]" 1
69 1 11 THR MG 1 33 ALA HA 5.000 . 5.000 4.209 3.110 5.133 0.133 13 0 "[ . 1 . 2]" 1
70 1 11 THR MG 1 34 ASP H 3.790 . 3.790 3.308 2.415 3.957 0.167 6 0 "[ . 1 . 2]" 1
71 1 12 PRO HA 1 14 HIS H 4.600 . 4.600 4.189 3.884 4.465 . 0 0 "[ . 1 . 2]" 1
72 1 12 PRO HA 1 28 LEU QD 5.000 . 5.000 3.759 2.881 4.537 . 0 0 "[ . 1 . 2]" 1
73 1 12 PRO HA 1 28 LEU HG 4.990 . 4.990 5.128 4.190 6.105 1.115 1 7 "[+ ***-*1 * . 2]" 1
74 1 12 PRO QB 1 13 LEU H 3.660 . 3.660 3.119 1.657 3.768 0.108 14 0 "[ . 1 . 2]" 1
75 1 12 PRO QB 1 28 LEU HB3 3.180 . 3.180 2.983 2.133 3.549 0.369 11 0 "[ . 1 . 2]" 1
76 1 12 PRO QB 1 28 LEU QD . . 4.150 2.085 1.713 3.071 . 0 0 "[ . 1 . 2]" 1
77 1 12 PRO QB 1 28 LEU HG 4.190 . 4.190 2.895 1.957 3.992 . 0 0 "[ . 1 . 2]" 1
78 1 12 PRO HD2 1 13 LEU H 3.550 . 3.550 3.149 2.307 3.681 0.131 9 0 "[ . 1 . 2]" 1
79 1 12 PRO HD2 1 33 ALA HA 5.000 . 5.000 4.631 3.625 5.195 0.195 6 0 "[ . 1 . 2]" 1
80 1 12 PRO HG2 1 13 LEU H 4.050 . 4.050 3.361 2.064 4.252 0.202 15 0 "[ . 1 . 2]" 1
81 1 12 PRO HG2 1 13 LEU QD 4.940 . 4.940 4.454 2.247 5.127 0.187 13 0 "[ . 1 . 2]" 1
82 1 12 PRO HG2 1 28 LEU QD 5.000 . 5.000 3.205 2.362 4.544 . 0 0 "[ . 1 . 2]" 1
83 1 13 LEU H 1 13 LEU QB . . 2.690 2.259 1.986 2.460 . 0 0 "[ . 1 . 2]" 1
84 1 13 LEU H 1 14 HIS H 3.100 . 3.100 2.331 1.960 2.932 . 0 0 "[ . 1 . 2]" 1
85 1 13 LEU H 1 14 HIS QB 4.880 . 4.880 4.223 3.833 4.919 0.039 6 0 "[ . 1 . 2]" 1
86 1 13 LEU H 1 15 ASN H 4.050 . 4.050 4.393 4.090 4.870 0.820 17 5 "[ ** - 1 . +* 2]" 1
87 1 13 LEU HA 1 13 LEU QD . . 2.840 2.364 1.925 3.354 0.514 17 1 "[ . 1 . + 2]" 1
88 1 13 LEU HA 1 13 LEU HG 4.140 . 4.140 3.203 2.247 4.208 0.068 9 0 "[ . 1 . 2]" 1
89 1 13 LEU QB 1 14 HIS H 3.340 . 3.340 3.167 2.839 3.669 0.329 17 0 "[ . 1 . 2]" 1
90 1 13 LEU QB 1 29 LEU HG 4.990 . 4.990 4.376 2.375 6.012 1.022 7 1 "[ . + 1 . 2]" 1
91 1 13 LEU QB 1 33 ALA MB . . 3.190 2.775 2.198 3.392 0.202 7 0 "[ . 1 . 2]" 1
92 1 13 LEU QD 1 14 HIS HA 3.830 . 3.830 3.832 2.288 5.040 1.210 7 4 "[ . +* 1 - * 2]" 1
93 1 13 LEU QD 1 25 VAL HA 3.420 . 3.420 2.956 2.087 4.168 0.748 9 2 "[ .- +1 . 2]" 1
94 1 13 LEU QD 1 25 VAL HB 5.000 . 5.000 3.858 3.119 5.015 0.015 7 0 "[ . 1 . 2]" 1
95 1 13 LEU QD 1 25 VAL QG 2.550 . 2.550 2.112 1.683 2.834 0.284 6 0 "[ . 1 . 2]" 1
96 1 13 LEU QD 1 29 LEU HG 3.150 . 3.150 2.702 1.907 3.745 0.595 3 1 "[ + . 1 . 2]" 1
97 1 13 LEU QD 1 33 ALA MB 3.520 . 3.520 2.727 1.680 3.627 0.107 19 0 "[ . 1 . 2]" 1
98 1 13 LEU QD 1 45 PRO QB 4.830 . 4.830 2.335 1.823 3.207 . 0 0 "[ . 1 . 2]" 1
99 1 13 LEU QD 1 45 PRO QG 4.690 . 4.690 3.150 1.990 4.226 . 0 0 "[ . 1 . 2]" 1
100 1 13 LEU HG 1 45 PRO QG 5.000 . 5.000 4.290 2.238 5.623 0.623 11 1 "[ . 1+ . 2]" 1
101 1 14 HIS H 1 14 HIS HB2 3.180 . 3.180 2.671 2.151 3.485 0.305 5 0 "[ . 1 . 2]" 1
102 1 14 HIS H 1 14 HIS QB 2.730 . 2.730 2.258 2.103 2.476 . 0 0 "[ . 1 . 2]" 1
103 1 14 HIS H 1 15 ASN H 2.890 . 2.890 2.685 2.487 2.819 . 0 0 "[ . 1 . 2]" 1
104 1 14 HIS H 1 17 ALA H 4.590 . 4.590 4.646 4.402 4.872 0.282 4 0 "[ . 1 . 2]" 1
105 1 14 HIS H 1 45 PRO HA 4.370 . 4.370 4.593 4.299 4.886 0.516 9 1 "[ . +1 . 2]" 1
106 1 14 HIS HA 1 15 ASN HA 5.000 . 5.000 4.731 4.659 4.799 . 0 0 "[ . 1 . 2]" 1
107 1 14 HIS HA 1 45 PRO HA 3.550 . 3.550 2.415 2.185 2.873 . 0 0 "[ . 1 . 2]" 1
108 1 14 HIS HA 1 48 LEU MD2 4.640 . 4.640 4.053 2.563 4.966 0.326 17 0 "[ . 1 . 2]" 1
109 1 14 HIS HA 1 48 LEU HG 3.770 . 3.770 3.134 2.586 3.775 0.005 12 0 "[ . 1 . 2]" 1
110 1 14 HIS QB 1 15 ASN H 2.920 . 2.920 2.487 1.905 3.168 0.248 8 0 "[ . 1 . 2]" 1
111 1 14 HIS QB 1 45 PRO HA 4.880 . 4.880 3.735 2.988 4.491 . 0 0 "[ . 1 . 2]" 1
112 1 14 HIS QB 1 48 LEU MD2 4.120 . 4.120 3.728 3.055 4.435 0.315 4 0 "[ . 1 . 2]" 1
113 1 14 HIS QB 1 48 LEU HG 3.370 . 3.370 3.213 2.738 3.705 0.335 7 0 "[ . 1 . 2]" 1
114 1 15 ASN H 1 15 ASN HA 2.840 . 2.840 2.847 2.768 2.884 0.044 19 0 "[ . 1 . 2]" 1
115 1 15 ASN H 1 15 ASN QB 2.660 . 2.660 2.425 2.100 2.794 0.134 10 0 "[ . 1 . 2]" 1
116 1 15 ASN H 1 16 ALA H 2.880 . 2.880 2.703 2.568 2.940 0.060 8 0 "[ . 1 . 2]" 1
117 1 15 ASN H 1 17 ALA H 4.010 . 4.010 3.989 3.638 4.235 0.225 4 0 "[ . 1 . 2]" 1
118 1 15 ASN H 1 48 LEU HG 4.880 . 4.880 5.096 4.483 5.446 0.566 18 2 "[ . 1 - . + 2]" 1
119 1 15 ASN HA 1 16 ALA H 3.390 . 3.390 3.552 3.488 3.605 0.215 3 0 "[ . 1 . 2]" 1
120 1 15 ASN HA 1 17 ALA H 4.330 . 4.330 3.987 3.634 4.295 . 0 0 "[ . 1 . 2]" 1
121 1 15 ASN HA 1 18 LYS H 3.410 . 3.410 3.282 2.827 3.548 0.138 8 0 "[ . 1 . 2]" 1
122 1 15 ASN HA 1 18 LYS QB 3.670 . 3.670 3.118 2.121 3.927 0.257 8 0 "[ . 1 . 2]" 1
123 1 15 ASN HA 1 18 LYS QD 4.890 . 4.890 3.583 1.953 5.197 0.307 5 0 "[ . 1 . 2]" 1
124 1 15 ASN HA 1 18 LYS QE 3.860 . 3.860 3.590 2.073 4.551 0.691 15 2 "[ . - 1 + 2]" 1
125 1 15 ASN HA 1 18 LYS QG 4.880 . 4.880 3.846 2.171 5.073 0.193 19 0 "[ . 1 . 2]" 1
126 1 15 ASN HA 1 48 LEU HG 5.000 . 5.000 4.557 3.721 5.112 0.112 18 0 "[ . 1 . 2]" 1
127 1 15 ASN QB 1 16 ALA H 2.970 . 2.970 2.652 2.375 3.279 0.309 15 0 "[ . 1 . 2]" 1
128 1 15 ASN QB 1 16 ALA MB 4.880 . 4.880 4.014 3.713 4.630 . 0 0 "[ . 1 . 2]" 1
129 1 15 ASN QB 1 18 LYS QB 4.880 . 4.880 4.679 3.532 5.639 0.759 8 1 "[ . + 1 . 2]" 1
130 1 15 ASN HB3 1 16 ALA HA 5.000 . 5.000 4.666 3.876 5.439 0.439 5 0 "[ . 1 . 2]" 1
131 1 16 ALA H 1 16 ALA MB 2.530 . 2.530 2.197 2.092 2.318 . 0 0 "[ . 1 . 2]" 1
132 1 16 ALA H 1 17 ALA H 3.000 . 3.000 2.739 2.635 2.811 . 0 0 "[ . 1 . 2]" 1
133 1 16 ALA H 1 19 ASN QB 4.820 . 4.820 5.098 4.864 5.848 1.028 7 3 "[ - . + 1 . * 2]" 1
134 1 16 ALA H 1 21 HIS QB 4.880 . 4.880 5.007 4.542 5.424 0.544 17 1 "[ . 1 . + 2]" 1
135 1 16 ALA HA 1 17 ALA H 3.530 . 3.530 3.498 3.353 3.565 0.035 5 0 "[ . 1 . 2]" 1
136 1 16 ALA HA 1 19 ASN H 3.710 . 3.710 3.738 3.320 4.166 0.456 17 0 "[ . 1 . 2]" 1
137 1 16 ALA HA 1 19 ASN QB 4.070 . 4.070 3.061 2.637 4.251 0.181 7 0 "[ . 1 . 2]" 1
138 1 16 ALA HA 1 20 GLY H 4.630 . 4.630 4.757 4.462 4.948 0.318 17 0 "[ . 1 . 2]" 1
139 1 16 ALA HA 1 21 HIS HB2 4.460 . 4.460 3.323 2.333 4.498 0.038 11 0 "[ . 1 . 2]" 1
140 1 16 ALA HA 1 21 HIS QB 3.920 . 3.920 2.831 2.314 3.211 . 0 0 "[ . 1 . 2]" 1
141 1 16 ALA HA 1 21 HIS HB3 4.460 . 4.460 3.646 2.755 4.593 0.133 3 0 "[ . 1 . 2]" 1
142 1 16 ALA HA 1 24 GLU QB 4.780 . 4.780 4.886 3.912 5.724 0.944 11 3 "[ . -+ .* 2]" 1
143 1 16 ALA MB 1 21 HIS HA 5.000 . 5.000 4.762 4.402 5.068 0.068 1 0 "[ . 1 . 2]" 1
144 1 16 ALA MB 1 21 HIS HB2 4.380 . 4.380 2.757 2.177 4.031 . 0 0 "[ . 1 . 2]" 1
145 1 16 ALA MB 1 21 HIS QB 3.660 . 3.660 2.387 2.134 2.989 . 0 0 "[ . 1 . 2]" 1
146 1 16 ALA MB 1 21 HIS HB3 4.380 . 4.380 2.973 2.266 4.478 0.098 17 0 "[ . 1 . 2]" 1
147 1 16 ALA MB 1 24 GLU QB 3.330 . 3.330 3.085 2.113 3.689 0.359 8 0 "[ . 1 . 2]" 1
148 1 16 ALA MB 1 24 GLU QG 3.480 . 3.480 2.740 1.885 3.842 0.362 20 0 "[ . 1 . 2]" 1
149 1 16 ALA MB 1 28 LEU QD 3.190 . 3.190 2.789 1.912 3.901 0.711 11 3 "[ . 1+- * 2]" 1
150 1 16 ALA MB 1 28 LEU HG 3.340 . 3.340 3.811 3.387 4.565 1.225 17 8 "[ ** * 1* **. +- 2]" 1
151 1 17 ALA H 1 17 ALA HA 2.930 . 2.930 2.822 2.760 2.898 . 0 0 "[ . 1 . 2]" 1
152 1 17 ALA H 1 17 ALA MB 2.410 . 2.410 2.190 2.098 2.253 . 0 0 "[ . 1 . 2]" 1
153 1 17 ALA H 1 18 LYS H 2.610 . 2.610 2.740 2.356 2.993 0.383 8 0 "[ . 1 . 2]" 1
154 1 17 ALA H 1 19 ASN H 4.610 . 4.610 4.176 3.820 4.339 . 0 0 "[ . 1 . 2]" 1
155 1 17 ALA H 1 19 ASN QB 4.880 . 4.880 5.014 4.787 5.554 0.674 7 1 "[ . + 1 . 2]" 1
156 1 17 ALA H 1 20 GLY H 5.000 . 5.000 4.818 4.610 5.012 0.012 6 0 "[ . 1 . 2]" 1
157 1 17 ALA H 1 21 HIS QB 4.880 . 4.880 4.880 4.463 5.636 0.756 17 2 "[ . - 1 . + 2]" 1
158 1 17 ALA H 1 48 LEU HB2 5.000 . 5.000 4.763 4.077 5.506 0.506 12 1 "[ . 1 + . 2]" 1
159 1 17 ALA H 1 57 ILE MD 4.510 . 4.510 4.571 3.954 5.167 0.657 12 2 "[ -. 1 + . 2]" 1
160 1 17 ALA HA 1 19 ASN H 4.440 . 4.440 4.379 3.906 4.680 0.240 6 0 "[ . 1 . 2]" 1
161 1 17 ALA HA 1 20 GLY H 4.030 . 4.030 3.377 3.049 3.734 . 0 0 "[ . 1 . 2]" 1
162 1 17 ALA HA 1 21 HIS H 4.370 . 4.370 3.417 2.728 4.090 . 0 0 "[ . 1 . 2]" 1
163 1 17 ALA HA 1 57 ILE HB 5.000 . 5.000 4.419 3.396 5.021 0.021 5 0 "[ . 1 . 2]" 1
164 1 17 ALA HA 1 57 ILE MD 3.620 . 3.620 2.233 1.973 2.709 . 0 0 "[ . 1 . 2]" 1
165 1 17 ALA HA 1 57 ILE QG 5.000 . 5.000 3.739 2.464 4.468 . 0 0 "[ . 1 . 2]" 1
166 1 17 ALA HA 1 57 ILE MG 3.130 . 3.130 2.969 2.601 3.404 0.274 3 0 "[ . 1 . 2]" 1
167 1 17 ALA MB 1 18 LYS H 2.720 . 2.720 2.451 2.185 2.714 . 0 0 "[ . 1 . 2]" 1
168 1 17 ALA MB 1 19 ASN H 4.270 . 4.270 4.457 4.332 4.580 0.310 15 0 "[ . 1 . 2]" 1
169 1 17 ALA MB 1 48 LEU HB3 2.630 . 2.630 2.605 2.156 2.969 0.339 4 0 "[ . 1 . 2]" 1
170 1 17 ALA MB 1 48 LEU HG 4.990 . 4.990 3.623 3.125 4.086 . 0 0 "[ . 1 . 2]" 1
171 1 17 ALA MB 1 57 ILE MG 3.320 . 3.320 2.630 2.124 3.335 0.015 19 0 "[ . 1 . 2]" 1
172 1 18 LYS H 1 18 LYS HA 2.920 . 2.920 2.801 2.761 2.871 . 0 0 "[ . 1 . 2]" 1
173 1 18 LYS H 1 18 LYS QB 2.540 . 2.540 2.200 2.020 2.307 . 0 0 "[ . 1 . 2]" 1
174 1 18 LYS H 1 19 ASN H 2.950 . 2.950 2.762 2.502 2.889 . 0 0 "[ . 1 . 2]" 1
175 1 18 LYS H 1 20 GLY H 4.060 . 4.060 3.988 3.852 4.135 0.075 3 0 "[ . 1 . 2]" 1
176 1 18 LYS H 1 48 LEU HG 4.390 . 4.390 4.363 3.703 4.931 0.541 17 1 "[ . 1 . + 2]" 1
177 1 18 LYS HA 1 18 LYS QD 5.000 . 5.000 3.783 2.445 4.601 . 0 0 "[ . 1 . 2]" 1
178 1 18 LYS HA 1 18 LYS QE 5.000 . 5.000 4.657 2.398 5.512 0.512 4 1 "[ +. 1 . 2]" 1
179 1 18 LYS HA 1 18 LYS QG 3.380 . 3.380 2.947 2.169 3.450 0.070 1 0 "[ . 1 . 2]" 1
180 1 18 LYS HA 1 20 GLY H 4.860 . 4.860 3.887 3.514 4.134 . 0 0 "[ . 1 . 2]" 1
181 1 18 LYS HA 1 48 LEU HB3 4.420 . 4.420 3.173 2.462 4.474 0.054 19 0 "[ . 1 . 2]" 1
182 1 18 LYS HA 1 48 LEU MD1 4.770 . 4.770 3.693 2.393 4.943 0.173 19 0 "[ . 1 . 2]" 1
183 1 18 LYS HA 1 49 ALA HA 4.620 . 4.620 4.333 3.319 4.809 0.189 19 0 "[ . 1 . 2]" 1
184 1 18 LYS HA 1 52 ASN HB2 5.000 . 5.000 3.505 2.552 4.479 . 0 0 "[ . 1 . 2]" 1
185 1 18 LYS HA 1 52 ASN HB3 5.000 . 5.000 3.698 2.749 4.427 . 0 0 "[ . 1 . 2]" 1
186 1 18 LYS QB 1 48 LEU HG 4.350 . 4.350 4.102 2.812 5.318 0.968 19 3 "[ * 1 -. +2]" 1
187 1 18 LYS QG 1 19 ASN HA 4.880 . 4.880 3.808 2.899 5.544 0.664 15 3 "[ * 1 -+ 2]" 1
188 1 19 ASN H 1 19 ASN HB2 3.060 . 3.060 2.375 2.015 3.393 0.333 16 0 "[ . 1 . 2]" 1
189 1 19 ASN H 1 19 ASN QB 2.570 . 2.570 2.126 1.999 2.355 . 0 0 "[ . 1 . 2]" 1
190 1 19 ASN H 1 19 ASN HB3 3.060 . 3.060 2.877 2.055 3.448 0.388 8 0 "[ . 1 . 2]" 1
191 1 19 ASN H 1 20 GLY H 2.780 . 2.780 2.575 2.262 2.759 . 0 0 "[ . 1 . 2]" 1
192 1 19 ASN H 1 21 HIS H 3.950 . 3.950 3.999 3.232 4.261 0.311 18 0 "[ . 1 . 2]" 1
193 1 19 ASN H 1 57 ILE MD 5.000 . 5.000 5.117 4.766 5.334 0.334 4 0 "[ . 1 . 2]" 1
194 1 19 ASN HA 1 20 GLY H 3.290 . 3.290 3.373 3.265 3.433 0.143 3 0 "[ . 1 . 2]" 1
195 1 19 ASN HA 1 20 GLY HA2 5.000 . 5.000 5.134 5.042 5.190 0.190 3 0 "[ . 1 . 2]" 1
196 1 19 ASN QB 1 20 GLY H 3.760 . 3.760 3.203 2.806 3.630 . 0 0 "[ . 1 . 2]" 1
197 1 20 GLY H 1 20 GLY HA2 2.790 . 2.790 2.318 2.278 2.361 . 0 0 "[ . 1 . 2]" 1
198 1 20 GLY H 1 21 HIS H 2.830 . 2.830 2.410 2.186 2.600 . 0 0 "[ . 1 . 2]" 1
199 1 20 GLY H 1 21 HIS HA 4.920 . 4.920 4.978 4.768 5.102 0.182 8 0 "[ . 1 . 2]" 1
200 1 20 GLY H 1 57 ILE MD 3.330 . 3.330 3.355 3.173 3.803 0.473 7 0 "[ . 1 . 2]" 1
201 1 20 GLY HA2 1 57 ILE MD 3.540 . 3.540 2.181 2.009 2.790 . 0 0 "[ . 1 . 2]" 1
202 1 20 GLY HA2 1 57 ILE QG . . 4.780 3.816 2.246 4.237 . 0 0 "[ . 1 . 2]" 1
203 1 20 GLY HA3 1 22 ALA H 5.000 . 5.000 4.163 3.824 4.794 . 0 0 "[ . 1 . 2]" 1
204 1 20 GLY HA3 1 57 ILE MD 3.570 . 3.570 3.539 3.312 4.052 0.482 7 0 "[ . 1 . 2]" 1
205 1 21 HIS H 1 21 HIS HB2 3.660 . 3.660 2.823 2.209 3.546 . 0 0 "[ . 1 . 2]" 1
206 1 21 HIS H 1 21 HIS QB 3.170 . 3.170 2.406 2.186 3.169 . 0 0 "[ . 1 . 2]" 1
207 1 21 HIS H 1 21 HIS HB3 3.660 . 3.660 3.081 2.303 3.669 0.009 6 0 "[ . 1 . 2]" 1
208 1 21 HIS H 1 22 ALA H 3.260 . 3.260 3.341 3.045 3.762 0.502 7 1 "[ . + 1 . 2]" 1
209 1 21 HIS H 1 57 ILE MD 3.090 . 3.090 2.833 2.348 3.351 0.261 9 0 "[ . 1 . 2]" 1
210 1 21 HIS HA 1 22 ALA MB 4.700 . 4.700 4.273 4.015 4.467 . 0 0 "[ . 1 . 2]" 1
211 1 21 HIS HA 1 24 GLU H 4.140 . 4.140 3.753 3.429 4.259 0.119 7 0 "[ . 1 . 2]" 1
212 1 21 HIS HA 1 24 GLU QB 5.000 . 5.000 4.135 3.315 5.367 0.367 7 0 "[ . 1 . 2]" 1
213 1 21 HIS HA 1 24 GLU QG 5.000 . 5.000 4.927 3.894 5.632 0.632 15 4 "[ - . 1 + * *]" 1
214 1 21 HIS HA 1 25 VAL H 5.000 . 5.000 5.211 4.714 5.593 0.593 3 2 "[ + . 1 -. 2]" 1
215 1 21 HIS HA 1 57 ILE MD 4.850 . 4.850 4.256 3.858 4.641 . 0 0 "[ . 1 . 2]" 1
216 1 21 HIS QB 1 23 GLU H 4.880 . 4.880 4.293 3.468 5.017 0.137 8 0 "[ . 1 . 2]" 1
217 1 21 HIS QB 1 24 GLU H 3.550 . 3.550 3.041 2.535 3.701 0.151 7 0 "[ . 1 . 2]" 1
218 1 21 HIS QB 1 24 GLU HA 4.880 . 4.880 4.667 4.171 5.398 0.518 7 1 "[ . + 1 . 2]" 1
219 1 21 HIS QB 1 24 GLU QB 3.610 . 3.610 2.307 1.857 3.581 . 0 0 "[ . 1 . 2]" 1
220 1 21 HIS QB 1 24 GLU QG 3.930 . 3.930 2.846 1.893 3.771 . 0 0 "[ . 1 . 2]" 1
221 1 21 HIS QB 1 25 VAL H 4.880 . 4.880 3.926 3.539 4.300 . 0 0 "[ . 1 . 2]" 1
222 1 21 HIS HB2 1 22 ALA H 4.570 . 4.570 4.438 4.220 4.633 0.063 18 0 "[ . 1 . 2]" 1
223 1 21 HIS HB2 1 24 GLU H 4.220 . 4.220 3.843 2.936 4.758 0.538 8 1 "[ . + 1 . 2]" 1
224 1 21 HIS HB2 1 24 GLU QB 4.170 . 4.170 2.993 1.870 4.084 . 0 0 "[ . 1 . 2]" 1
225 1 21 HIS HB2 1 24 GLU QG 4.790 . 4.790 3.401 1.916 4.498 . 0 0 "[ . 1 . 2]" 1
226 1 21 HIS HB3 1 22 ALA H 4.570 . 4.570 4.432 4.278 4.659 0.089 20 0 "[ . 1 . 2]" 1
227 1 21 HIS HB3 1 24 GLU QB 4.170 . 4.170 2.866 1.959 4.477 0.307 7 0 "[ . 1 . 2]" 1
228 1 21 HIS HB3 1 24 GLU QG 4.790 . 4.790 3.472 2.231 5.035 0.245 20 0 "[ . 1 . 2]" 1
229 1 22 ALA H 1 22 ALA MB 2.610 . 2.610 2.214 2.106 2.271 . 0 0 "[ . 1 . 2]" 1
230 1 22 ALA H 1 23 GLU H 3.280 . 3.280 2.885 2.447 3.125 . 0 0 "[ . 1 . 2]" 1
231 1 22 ALA H 1 24 GLU H 4.480 . 4.480 4.383 4.130 4.767 0.287 11 0 "[ . 1 . 2]" 1
232 1 22 ALA H 1 57 ILE MD 3.370 . 3.370 2.701 2.373 3.101 . 0 0 "[ . 1 . 2]" 1
233 1 22 ALA H 1 57 ILE QG 5.000 . 5.000 3.441 3.034 3.765 . 0 0 "[ . 1 . 2]" 1
234 1 22 ALA HA 1 24 GLU H 4.870 . 4.870 4.286 3.800 5.139 0.269 20 0 "[ . 1 . 2]" 1
235 1 22 ALA HA 1 25 VAL HB 3.570 . 3.570 3.072 2.523 3.763 0.193 9 0 "[ . 1 . 2]" 1
236 1 22 ALA HA 1 57 ILE QG 4.230 . 4.230 2.219 2.021 3.256 . 0 0 "[ . 1 . 2]" 1
237 1 22 ALA MB 1 23 GLU H 3.000 . 3.000 2.654 1.842 3.104 0.104 1 0 "[ . 1 . 2]" 1
238 1 22 ALA MB 1 23 GLU HA 5.000 . 5.000 3.804 3.573 3.960 . 0 0 "[ . 1 . 2]" 1
239 1 22 ALA MB 1 23 GLU QG 4.040 . 4.040 3.931 3.052 4.579 0.539 9 1 "[ . +1 . 2]" 1
240 1 22 ALA MB 1 24 GLU H 5.000 . 5.000 4.569 4.041 4.890 . 0 0 "[ . 1 . 2]" 1
241 1 22 ALA MB 1 25 VAL HB 5.000 . 5.000 4.354 3.593 5.120 0.120 9 0 "[ . 1 . 2]" 1
242 1 22 ALA MB 1 56 GLU HA 5.000 . 5.000 4.739 3.654 5.452 0.452 6 0 "[ . 1 . 2]" 1
243 1 22 ALA MB 1 56 GLU QG 3.940 . 3.940 3.116 2.127 4.072 0.132 7 0 "[ . 1 . 2]" 1
244 1 22 ALA MB 1 57 ILE H 3.600 . 3.600 3.892 3.358 4.176 0.576 1 1 "[+ . 1 . 2]" 1
245 1 22 ALA MB 1 57 ILE MD 3.230 . 3.230 2.832 2.273 3.258 0.028 20 0 "[ . 1 . 2]" 1
246 1 22 ALA MB 1 57 ILE QG 4.130 . 4.130 2.242 1.893 3.098 . 0 0 "[ . 1 . 2]" 1
247 1 22 ALA MB 1 60 LEU QD 3.410 . 3.410 3.103 2.084 3.853 0.443 18 0 "[ . 1 . 2]" 1
248 1 23 GLU H 1 23 GLU QB 2.700 . 2.700 2.366 2.046 2.772 0.072 3 0 "[ . 1 . 2]" 1
249 1 23 GLU H 1 23 GLU QG 3.120 . 3.120 2.623 1.853 3.648 0.528 9 1 "[ . +1 . 2]" 1
250 1 23 GLU H 1 24 GLU H 2.880 . 2.880 2.700 2.331 3.129 0.249 8 0 "[ . 1 . 2]" 1
251 1 23 GLU H 1 25 VAL H 4.310 . 4.310 4.142 3.680 4.592 0.282 6 0 "[ . 1 . 2]" 1
252 1 23 GLU H 1 25 VAL QG 4.610 . 4.610 4.498 4.016 5.025 0.415 3 0 "[ . 1 . 2]" 1
253 1 23 GLU H 1 57 ILE MD 4.900 . 4.900 4.934 4.439 5.119 0.219 5 0 "[ . 1 . 2]" 1
254 1 23 GLU HA 1 23 GLU QG 3.430 . 3.430 2.768 2.182 3.396 . 0 0 "[ . 1 . 2]" 1
255 1 23 GLU HA 1 24 GLU HA 4.800 . 4.800 4.713 4.533 4.867 0.067 20 0 "[ . 1 . 2]" 1
256 1 23 GLU HA 1 25 VAL H 4.250 . 4.250 4.319 3.539 4.669 0.419 7 0 "[ . 1 . 2]" 1
257 1 23 GLU HA 1 25 VAL QG 4.900 . 4.900 4.306 2.829 5.407 0.507 7 1 "[ . + 1 . 2]" 1
258 1 23 GLU HA 1 26 LYS QD 3.480 . 3.480 2.691 2.001 3.626 0.146 17 0 "[ . 1 . 2]" 1
259 1 23 GLU HA 1 27 LYS QE 5.000 . 5.000 4.788 3.771 5.806 0.806 4 1 "[ +. 1 . 2]" 1
260 1 23 GLU HA 1 60 LEU QD 5.000 . 5.000 4.764 4.385 5.239 0.239 15 0 "[ . 1 . 2]" 1
261 1 23 GLU QB 1 26 LYS QE 5.000 . 5.000 4.632 3.953 5.273 0.273 12 0 "[ . 1 . 2]" 1
262 1 23 GLU QB 1 26 LYS QG 4.840 . 4.840 4.344 3.229 5.127 0.287 6 0 "[ . 1 . 2]" 1
263 1 23 GLU QB 1 27 LYS QE 5.000 . 5.000 3.773 2.986 4.965 . 0 0 "[ . 1 . 2]" 1
264 1 23 GLU QG 1 26 LYS QD 4.310 . 4.310 4.349 3.437 4.924 0.614 13 2 "[ - . 1 + . 2]" 1
265 1 23 GLU QG 1 27 LYS QE 5.000 . 5.000 4.753 2.530 5.505 0.505 7 1 "[ . + 1 . 2]" 1
266 1 24 GLU H 1 24 GLU QB 2.480 . 2.480 2.202 2.034 2.747 0.267 7 0 "[ . 1 . 2]" 1
267 1 24 GLU H 1 25 VAL H 2.860 . 2.860 2.524 2.182 2.657 . 0 0 "[ . 1 . 2]" 1
268 1 24 GLU H 1 26 LYS H 4.430 . 4.430 4.400 3.747 4.802 0.372 11 0 "[ . 1 . 2]" 1
269 1 24 GLU H 1 26 LYS QG 5.000 . 5.000 4.781 3.890 6.079 1.079 6 2 "[ .+ - 1 . 2]" 1
270 1 24 GLU H 1 28 LEU QD 4.730 . 4.730 4.675 4.203 5.073 0.343 12 0 "[ . 1 . 2]" 1
271 1 24 GLU HA 1 24 GLU QG 3.490 . 3.490 2.877 2.201 3.408 . 0 0 "[ . 1 . 2]" 1
272 1 24 GLU HA 1 25 VAL HA 5.000 . 5.000 4.873 4.703 5.023 0.023 16 0 "[ . 1 . 2]" 1
273 1 24 GLU HA 1 27 LYS QD 4.110 . 4.110 2.289 1.815 2.603 . 0 0 "[ . 1 . 2]" 1
274 1 24 GLU HA 1 27 LYS QE 4.850 . 4.850 2.698 1.959 4.073 . 0 0 "[ . 1 . 2]" 1
275 1 24 GLU QB 1 25 VAL H 2.780 . 2.780 2.987 2.301 3.527 0.747 4 8 "[** +. -* 1* *. * 2]" 1
276 1 24 GLU QB 1 25 VAL HA 4.890 . 4.890 4.186 3.676 4.684 . 0 0 "[ . 1 . 2]" 1
277 1 24 GLU QB 1 25 VAL HB 5.000 . 5.000 4.850 3.951 5.587 0.587 17 1 "[ . 1 . + 2]" 1
278 1 24 GLU QB 1 28 LEU QD 4.880 . 4.880 2.477 1.969 3.641 . 0 0 "[ . 1 . 2]" 1
279 1 24 GLU QB 1 28 LEU HG 4.910 . 4.910 4.284 2.789 5.020 0.110 20 0 "[ . 1 . 2]" 1
280 1 24 GLU QG 1 27 LYS QD 4.980 . 4.980 4.327 3.260 5.034 0.054 11 0 "[ . 1 . 2]" 1
281 1 24 GLU QG 1 28 LEU H 4.150 . 4.150 4.227 3.380 5.072 0.922 7 4 "[ . + * .- *2]" 1
282 1 24 GLU QG 1 28 LEU QD 4.000 . 4.000 2.279 1.912 3.668 . 0 0 "[ . 1 . 2]" 1
283 1 24 GLU QG 1 28 LEU HG 4.220 . 4.220 3.722 2.508 4.630 0.410 18 0 "[ . 1 . 2]" 1
284 1 25 VAL H 1 25 VAL HB 2.590 . 2.590 2.396 2.202 2.744 0.154 9 0 "[ . 1 . 2]" 1
285 1 25 VAL H 1 27 LYS QD 4.170 . 4.170 4.596 4.396 5.283 1.113 14 5 "[ **. - +. * 2]" 1
286 1 25 VAL H 1 28 LEU H 4.770 . 4.770 4.835 4.418 5.112 0.342 14 0 "[ . 1 . 2]" 1
287 1 25 VAL H 1 28 LEU QD 4.990 . 4.990 3.827 2.980 4.559 . 0 0 "[ . 1 . 2]" 1
288 1 25 VAL H 1 57 ILE QG 4.830 . 4.830 4.831 4.072 5.818 0.988 7 2 "[ . + 1 - . 2]" 1
289 1 25 VAL HA 1 27 LYS H 4.560 . 4.560 4.184 3.524 5.123 0.563 20 1 "[ . 1 . +]" 1
290 1 25 VAL HA 1 28 LEU H 3.640 . 3.640 3.419 2.969 3.756 0.116 18 0 "[ . 1 . 2]" 1
291 1 25 VAL HA 1 28 LEU HB2 5.000 . 5.000 3.553 2.231 5.754 0.754 18 1 "[ . 1 . + 2]" 1
292 1 25 VAL HA 1 28 LEU HB3 4.790 . 4.790 4.696 3.465 5.759 0.969 14 5 "[ * *1 *+. - 2]" 1
293 1 25 VAL HA 1 28 LEU QD 4.020 . 4.020 2.876 1.835 4.052 0.032 10 0 "[ . 1 . 2]" 1
294 1 25 VAL HA 1 29 LEU H 4.020 . 4.020 3.369 2.996 3.832 . 0 0 "[ . 1 . 2]" 1
295 1 25 VAL HA 1 29 LEU HG 5.000 . 5.000 4.618 3.285 5.617 0.617 7 1 "[ . + 1 . 2]" 1
296 1 25 VAL HA 1 30 SER H 5.000 . 5.000 5.282 4.773 5.710 0.710 9 2 "[ . +1 . -2]" 1
297 1 25 VAL HB 1 26 LYS H 5.000 . 5.000 3.509 2.522 4.507 . 0 0 "[ . 1 . 2]" 1
298 1 25 VAL HB 1 57 ILE MD 4.820 . 4.820 4.386 3.133 5.183 0.363 16 0 "[ . 1 . 2]" 1
299 1 25 VAL HB 1 57 ILE QG 5.000 . 5.000 3.686 2.801 4.967 . 0 0 "[ . 1 . 2]" 1
300 1 25 VAL QG 1 26 LYS H 2.910 . 2.910 2.544 1.711 3.236 0.326 19 0 "[ . 1 . 2]" 1
301 1 25 VAL QG 1 26 LYS HA 3.760 . 3.760 3.096 2.860 3.366 . 0 0 "[ . 1 . 2]" 1
302 1 25 VAL QG 1 26 LYS QG 4.070 . 4.070 3.543 2.268 4.528 0.458 8 0 "[ . 1 . 2]" 1
303 1 25 VAL QG 1 29 LEU HG 2.720 . 2.720 2.865 2.481 3.756 1.036 3 2 "[ + .- 1 . 2]" 1
304 1 26 LYS H 1 26 LYS QB 2.570 . 2.570 2.753 1.965 3.054 0.484 9 0 "[ . 1 . 2]" 1
305 1 26 LYS H 1 26 LYS QG 3.260 . 3.260 2.088 1.687 3.500 0.240 6 0 "[ . 1 . 2]" 1
306 1 26 LYS H 1 27 LYS H 2.940 . 2.940 2.627 2.242 3.068 0.128 15 0 "[ . 1 . 2]" 1
307 1 26 LYS H 1 28 LEU H 4.090 . 4.090 4.258 3.761 4.481 0.391 11 0 "[ . 1 . 2]" 1
308 1 26 LYS HA 1 26 LYS QD 4.390 . 4.390 4.014 3.197 4.497 0.107 10 0 "[ . 1 . 2]" 1
309 1 26 LYS HA 1 26 LYS QE 5.000 . 5.000 3.917 2.300 5.378 0.378 1 0 "[ . 1 . 2]" 1
310 1 26 LYS HA 1 26 LYS QG 3.640 . 3.640 3.187 2.205 3.441 . 0 0 "[ . 1 . 2]" 1
311 1 26 LYS HA 1 27 LYS HA 4.590 . 4.590 4.668 4.575 4.846 0.256 20 0 "[ . 1 . 2]" 1
312 1 26 LYS QG 1 27 LYS QD 3.350 . 3.350 2.724 1.885 4.301 0.951 7 1 "[ . + 1 . 2]" 1
313 1 26 LYS QG 1 27 LYS QE 4.230 . 4.230 3.441 2.109 4.737 0.507 20 1 "[ . 1 . +]" 1
314 1 27 LYS H 1 27 LYS HA 2.820 . 2.820 2.862 2.655 2.944 0.124 16 0 "[ . 1 . 2]" 1
315 1 27 LYS H 1 27 LYS QB 2.600 . 2.600 2.493 1.861 3.007 0.407 8 0 "[ . 1 . 2]" 1
316 1 27 LYS H 1 27 LYS QD 3.090 . 3.090 2.203 1.517 3.884 0.794 4 1 "[ +. 1 . 2]" 1
317 1 27 LYS H 1 27 LYS QE 4.470 . 4.470 3.679 2.216 4.197 . 0 0 "[ . 1 . 2]" 1
318 1 27 LYS H 1 27 LYS QG 3.710 . 3.710 2.897 1.471 3.747 0.037 4 0 "[ . 1 . 2]" 1
319 1 27 LYS H 1 28 LEU H 3.000 . 3.000 2.597 2.310 3.084 0.084 20 0 "[ . 1 . 2]" 1
320 1 27 LYS H 1 29 LEU H 5.000 . 5.000 4.410 3.668 4.979 . 0 0 "[ . 1 . 2]" 1
321 1 27 LYS HA 1 27 LYS QD 4.000 . 4.000 3.347 2.427 4.528 0.528 7 1 "[ . + 1 . 2]" 1
322 1 27 LYS HA 1 27 LYS QG 3.720 . 3.720 2.698 2.172 3.539 . 0 0 "[ . 1 . 2]" 1
323 1 27 LYS QB 1 28 LEU H 2.570 . 2.570 2.805 2.407 3.458 0.888 15 6 "[ - .*** 1 + * 2]" 1
324 1 27 LYS QB 1 28 LEU QD 4.190 . 4.190 2.822 2.016 4.359 0.169 8 0 "[ . 1 . 2]" 1
325 1 27 LYS QD 1 28 LEU H 4.080 . 4.080 3.870 2.602 4.845 0.765 14 1 "[ . 1 +. 2]" 1
326 1 28 LEU H 1 28 LEU HA 2.900 . 2.900 2.879 2.814 2.947 0.047 7 0 "[ . 1 . 2]" 1
327 1 28 LEU H 1 28 LEU HB2 3.110 . 3.110 2.801 2.047 3.664 0.554 18 2 "[ . - 1 . + 2]" 1
328 1 28 LEU H 1 28 LEU QD 3.140 . 3.140 2.011 1.408 2.837 . 0 0 "[ . 1 . 2]" 1
329 1 28 LEU H 1 31 LYS H 5.000 . 5.000 5.089 4.744 5.418 0.418 16 0 "[ . 1 . 2]" 1
330 1 28 LEU HA 1 28 LEU QD 3.030 . 3.030 2.481 1.970 3.347 0.317 8 0 "[ . 1 . 2]" 1
331 1 28 LEU HA 1 31 LYS H 5.000 . 5.000 3.937 3.512 4.439 . 0 0 "[ . 1 . 2]" 1
332 1 28 LEU HA 1 31 LYS HB3 4.530 . 4.530 4.850 4.428 5.525 0.995 16 3 "[* . 1 - .+ 2]" 1
333 1 28 LEU HA 1 31 LYS QG 3.900 . 3.900 3.475 2.364 4.312 0.412 11 0 "[ . 1 . 2]" 1
334 1 28 LEU HA 1 33 ALA MB 4.150 . 4.150 3.788 3.387 4.347 0.197 7 0 "[ . 1 . 2]" 1
335 1 28 LEU HB2 1 29 LEU H 3.300 . 3.300 2.773 1.939 3.720 0.420 8 0 "[ . 1 . 2]" 1
336 1 28 LEU HB3 1 28 LEU HG 2.820 . 2.820 2.604 2.311 2.993 0.173 7 0 "[ . 1 . 2]" 1
337 1 28 LEU HB3 1 33 ALA MB 3.740 . 3.740 3.164 2.202 4.494 0.754 7 1 "[ . + 1 . 2]" 1
338 1 29 LEU H 1 29 LEU HA 2.940 . 2.940 2.848 2.764 2.910 . 0 0 "[ . 1 . 2]" 1
339 1 29 LEU H 1 29 LEU QD 3.570 . 3.570 2.863 1.762 3.786 0.216 8 0 "[ . 1 . 2]" 1
340 1 29 LEU H 1 30 SER H 2.810 . 2.810 2.507 2.052 2.964 0.154 10 0 "[ . 1 . 2]" 1
341 1 29 LEU H 1 31 LYS H 4.090 . 4.090 4.049 3.644 4.468 0.378 6 0 "[ . 1 . 2]" 1
342 1 29 LEU H 1 32 GLY H 4.970 . 4.970 4.878 4.582 5.207 0.237 18 0 "[ . 1 . 2]" 1
343 1 29 LEU H 1 33 ALA H 4.430 . 4.430 4.623 4.166 4.962 0.532 16 2 "[ . 1 .+ -]" 1
344 1 29 LEU HA 1 29 LEU QD 3.000 . 3.000 2.357 1.942 3.380 0.380 4 0 "[ . 1 . 2]" 1
345 1 29 LEU HA 1 32 GLY H 3.510 . 3.510 3.015 2.526 3.568 0.058 10 0 "[ . 1 . 2]" 1
346 1 29 LEU HA 1 33 ALA MB 2.830 . 2.830 2.130 1.992 2.419 . 0 0 "[ . 1 . 2]" 1
347 1 29 LEU HA 1 64 LYS QE 5.000 . 5.000 5.121 3.926 5.856 0.856 14 3 "[ . 1 - +. * 2]" 1
348 1 29 LEU QB 1 30 SER H 2.770 . 2.770 2.778 2.137 3.404 0.634 5 2 "[ + 1 . - 2]" 1
349 1 29 LEU QB 1 33 ALA H 4.720 . 4.720 4.414 3.606 4.873 0.153 20 0 "[ . 1 . 2]" 1
350 1 29 LEU HB2 1 30 SER H 3.300 . 3.300 3.321 2.895 4.203 0.903 18 1 "[ . 1 . + 2]" 1
351 1 29 LEU HB3 1 30 SER H 3.300 . 3.300 3.260 2.155 4.043 0.743 11 4 "[ -* 1+* . 2]" 1
352 1 29 LEU QD 1 30 SER H 3.910 . 3.910 3.234 1.459 4.252 0.342 9 0 "[ . 1 . 2]" 1
353 1 29 LEU QD 1 32 GLY H 4.600 . 4.600 4.016 3.116 4.991 0.391 3 0 "[ . 1 . 2]" 1
354 1 29 LEU QD 1 33 ALA MB 3.090 . 3.090 2.407 1.860 3.687 0.597 18 2 "[ - 1 . + 2]" 1
355 1 29 LEU QD 1 34 ASP H 4.370 . 4.370 4.481 3.700 5.145 0.775 18 2 "[ - 1 . + 2]" 1
356 1 29 LEU QD 1 34 ASP HA 5.000 . 5.000 4.445 3.212 5.147 0.147 6 0 "[ . 1 . 2]" 1
357 1 29 LEU QD 1 64 LYS H 3.530 . 3.530 4.013 3.235 4.417 0.887 20 10 "[ - ** ***. ***+]" 1
358 1 29 LEU QD 1 64 LYS HA 5.000 . 5.000 4.462 3.718 5.221 0.221 12 0 "[ . 1 . 2]" 1
359 1 29 LEU QD 1 64 LYS HB2 4.140 . 4.140 2.886 2.199 4.489 0.349 5 0 "[ . 1 . 2]" 1
360 1 29 LEU QD 1 64 LYS HB3 4.140 . 4.140 3.125 2.006 4.061 . 0 0 "[ . 1 . 2]" 1
361 1 29 LEU QD 1 64 LYS QD 3.540 . 3.540 2.505 1.732 3.611 0.071 11 0 "[ . 1 . 2]" 1
362 1 29 LEU QD 1 64 LYS QE 4.520 . 4.520 2.336 1.792 3.571 . 0 0 "[ . 1 . 2]" 1
363 1 30 SER H 1 30 SER HA 2.860 . 2.860 2.799 2.718 2.900 0.040 19 0 "[ . 1 . 2]" 1
364 1 30 SER H 1 30 SER QB 2.490 . 2.490 2.415 2.175 2.844 0.354 9 0 "[ . 1 . 2]" 1
365 1 30 SER H 1 31 LYS H 2.770 . 2.770 2.714 2.440 3.000 0.230 1 0 "[ . 1 . 2]" 1
366 1 30 SER H 1 32 GLY H 4.050 . 4.050 4.133 3.798 4.386 0.336 2 0 "[ . 1 . 2]" 1
367 1 30 SER H 1 33 ALA MB 4.520 . 4.520 4.625 4.075 4.934 0.414 15 0 "[ . 1 . 2]" 1
368 1 30 SER H 1 64 LYS QE 4.860 . 4.860 4.890 3.870 5.679 0.819 14 1 "[ . 1 +. 2]" 1
369 1 30 SER HA 1 31 LYS HA 4.810 . 4.810 4.685 4.601 4.810 . 0 0 "[ . 1 . 2]" 1
370 1 30 SER QB 1 31 LYS H 3.040 . 3.040 3.058 2.285 3.725 0.685 2 3 "[ + *. -1 . 2]" 1
371 1 30 SER QB 1 31 LYS QE 5.000 . 5.000 4.819 2.866 5.910 0.910 6 4 "[ *+ 1 . - *]" 1
372 1 30 SER QB 1 31 LYS QG 3.850 . 3.850 3.902 3.064 4.450 0.600 10 1 "[ . + . 2]" 1
373 1 31 LYS H 1 31 LYS HA 2.900 . 2.900 2.881 2.811 2.944 0.044 3 0 "[ . 1 . 2]" 1
374 1 31 LYS H 1 31 LYS HB2 2.660 . 2.660 2.636 2.037 3.472 0.812 16 6 "[* *- 1 .+ * *]" 1
375 1 31 LYS H 1 31 LYS QE 4.720 . 4.720 4.183 3.596 4.908 0.188 2 0 "[ . 1 . 2]" 1
376 1 31 LYS H 1 31 LYS QG 2.960 . 2.960 2.657 1.651 3.613 0.653 10 2 "[ . +- . 2]" 1
377 1 31 LYS H 1 32 GLY H 2.820 . 2.820 2.295 2.054 2.521 . 0 0 "[ . 1 . 2]" 1
378 1 31 LYS H 1 33 ALA H 3.620 . 3.620 3.435 3.115 3.719 0.099 8 0 "[ . 1 . 2]" 1
379 1 31 LYS H 1 33 ALA MB 4.930 . 4.930 4.309 3.835 4.657 . 0 0 "[ . 1 . 2]" 1
380 1 31 LYS HA 1 31 LYS QD 3.560 . 3.560 3.282 2.236 3.994 0.434 18 0 "[ . 1 . 2]" 1
381 1 31 LYS HA 1 31 LYS QE 5.000 . 5.000 3.809 2.023 5.420 0.420 5 0 "[ . 1 . 2]" 1
382 1 31 LYS HA 1 31 LYS QG 3.540 . 3.540 2.685 2.169 3.395 . 0 0 "[ . 1 . 2]" 1
383 1 31 LYS HA 1 32 GLY HA2 5.000 . 5.000 4.858 4.581 5.026 0.026 16 0 "[ . 1 . 2]" 1
384 1 31 LYS HA 1 33 ALA H 4.870 . 4.870 5.005 4.883 5.154 0.284 12 0 "[ . 1 . 2]" 1
385 1 31 LYS HB2 1 32 GLY H 3.790 . 3.790 2.999 2.186 3.894 0.104 20 0 "[ . 1 . 2]" 1
386 1 31 LYS HB2 1 33 ALA H 3.740 . 3.740 3.634 2.897 4.699 0.959 5 3 "[ +* 1 . -]" 1
387 1 31 LYS HB3 1 31 LYS QD 3.700 . 3.700 2.767 2.092 3.475 . 0 0 "[ . 1 . 2]" 1
388 1 31 LYS HB3 1 32 GLY H 3.940 . 3.940 3.679 3.029 4.077 0.137 16 0 "[ . 1 . 2]" 1
389 1 31 LYS HB3 1 33 ALA H 4.230 . 4.230 4.496 4.136 5.161 0.931 18 5 "[* - 1 .* + *]" 1
390 1 31 LYS QE 1 32 GLY H 5.000 . 5.000 4.923 3.276 5.981 0.981 2 2 "[ + . 1 -. 2]" 1
391 1 31 LYS QG 1 32 GLY H 4.360 . 4.360 3.637 1.768 4.624 0.264 10 0 "[ . 1 . 2]" 1
392 1 32 GLY H 1 32 GLY HA2 2.640 . 2.640 2.613 2.468 2.851 0.211 18 0 "[ . 1 . 2]" 1
393 1 32 GLY H 1 32 GLY HA3 2.820 . 2.820 2.925 2.746 2.962 0.142 20 0 "[ . 1 . 2]" 1
394 1 32 GLY H 1 33 ALA MB 3.940 . 3.940 3.548 3.317 3.756 . 0 0 "[ . 1 . 2]" 1
395 1 32 GLY HA2 1 33 ALA H 3.250 . 3.250 3.238 3.063 3.468 0.218 4 0 "[ . 1 . 2]" 1
396 1 32 GLY HA3 1 33 ALA H 3.510 . 3.510 3.379 3.064 3.495 . 0 0 "[ . 1 . 2]" 1
397 1 33 ALA H 1 33 ALA MB 2.450 . 2.450 2.207 2.090 2.351 . 0 0 "[ . 1 . 2]" 1
398 1 33 ALA H 1 34 ASP H 4.840 . 4.840 4.613 4.033 4.719 . 0 0 "[ . 1 . 2]" 1
399 1 33 ALA HA 1 34 ASP H 2.390 . 2.390 2.320 2.118 2.770 0.380 12 0 "[ . 1 . 2]" 1
400 1 33 ALA MB 1 34 ASP H 2.980 . 2.980 2.756 1.893 3.571 0.591 18 1 "[ . 1 . + 2]" 1
401 1 33 ALA MB 1 34 ASP HA 5.000 . 5.000 4.384 3.976 4.662 . 0 0 "[ . 1 . 2]" 1
402 1 33 ALA MB 1 35 VAL HA 5.000 . 5.000 5.109 4.756 5.308 0.308 4 0 "[ . 1 . 2]" 1
403 1 34 ASP H 1 34 ASP QB 2.520 . 2.520 2.375 2.135 2.619 0.099 13 0 "[ . 1 . 2]" 1
404 1 34 ASP HA 1 35 VAL H 2.370 . 2.370 2.321 2.108 2.481 0.111 20 0 "[ . 1 . 2]" 1
405 1 34 ASP HA 1 35 VAL HA 5.000 . 5.000 4.426 4.344 4.458 . 0 0 "[ . 1 . 2]" 1
406 1 34 ASP HA 1 35 VAL QG 4.960 . 4.960 3.190 2.952 4.028 . 0 0 "[ . 1 . 2]" 1
407 1 34 ASP HA 1 37 ALA H 4.970 . 4.970 4.824 4.108 5.287 0.317 14 0 "[ . 1 . 2]" 1
408 1 34 ASP QB 1 35 VAL H 3.440 . 3.440 2.822 2.197 3.467 0.027 1 0 "[ . 1 . 2]" 1
409 1 34 ASP QB 1 37 ALA HA 5.000 . 5.000 4.291 3.945 4.983 . 0 0 "[ . 1 . 2]" 1
410 1 34 ASP QB 1 37 ALA MB 3.500 . 3.500 2.030 1.890 2.326 . 0 0 "[ . 1 . 2]" 1
411 1 35 VAL H 1 35 VAL QG 3.130 . 3.130 2.057 1.761 2.358 . 0 0 "[ . 1 . 2]" 1
412 1 35 VAL H 1 36 ASN H 3.040 . 3.040 2.038 1.852 2.480 . 0 0 "[ . 1 . 2]" 1
413 1 35 VAL H 1 36 ASN HA 5.000 . 5.000 4.734 4.570 5.072 0.072 6 0 "[ . 1 . 2]" 1
414 1 35 VAL H 1 36 ASN QB 4.880 . 4.880 4.313 3.690 4.623 . 0 0 "[ . 1 . 2]" 1
415 1 35 VAL H 1 37 ALA H 4.330 . 4.330 3.519 2.897 4.382 0.052 6 0 "[ . 1 . 2]" 1
416 1 35 VAL HA 1 35 VAL QG 2.910 . 2.910 2.154 2.068 2.336 . 0 0 "[ . 1 . 2]" 1
417 1 35 VAL HA 1 36 ASN H 3.550 . 3.550 3.475 3.242 3.581 0.031 20 0 "[ . 1 . 2]" 1
418 1 35 VAL HA 1 36 ASN HA 5.000 . 5.000 4.574 4.429 4.657 . 0 0 "[ . 1 . 2]" 1
419 1 35 VAL HA 1 37 ALA H 4.480 . 4.480 4.130 3.729 4.660 0.180 3 0 "[ . 1 . 2]" 1
420 1 35 VAL HB 1 36 ASN H 3.780 . 3.780 3.297 2.020 4.177 0.397 9 0 "[ . 1 . 2]" 1
421 1 35 VAL HB 1 66 ALA H 5.000 . 5.000 4.411 3.452 5.064 0.064 6 0 "[ . 1 . 2]" 1
422 1 35 VAL HB 1 66 ALA HA 4.180 . 4.180 2.729 2.229 4.234 0.054 11 0 "[ . 1 . 2]" 1
423 1 35 VAL HB 1 66 ALA MB 4.690 . 4.690 3.317 2.063 4.840 0.150 11 0 "[ . 1 . 2]" 1
424 1 35 VAL HB 1 67 ASP H 5.000 . 5.000 4.202 3.408 5.470 0.470 10 0 "[ . 1 . 2]" 1
425 1 35 VAL QG 1 36 ASN HA 4.320 . 4.320 3.944 3.113 4.397 0.077 3 0 "[ . 1 . 2]" 1
426 1 35 VAL QG 1 36 ASN QB 4.750 . 4.750 3.382 2.264 4.586 . 0 0 "[ . 1 . 2]" 1
427 1 35 VAL QG 1 61 LEU HA 3.530 . 3.530 3.187 2.705 3.739 0.209 20 0 "[ . 1 . 2]" 1
428 1 35 VAL QG 1 64 LYS QB 3.360 . 3.360 2.224 1.789 2.807 . 0 0 "[ . 1 . 2]" 1
429 1 35 VAL QG 1 64 LYS QD 4.900 . 4.900 3.915 2.519 4.985 0.085 6 0 "[ . 1 . 2]" 1
430 1 35 VAL QG 1 65 GLY QA 4.360 . 4.360 3.749 2.893 4.368 0.008 14 0 "[ . 1 . 2]" 1
431 1 35 VAL QG 1 66 ALA H 3.140 . 3.140 2.843 2.279 3.321 0.181 17 0 "[ . 1 . 2]" 1
432 1 35 VAL QG 1 66 ALA MB 2.780 . 2.780 2.239 1.847 2.984 0.204 17 0 "[ . 1 . 2]" 1
433 1 35 VAL MG1 1 36 ASN HA 5.000 . 5.000 4.606 3.400 5.592 0.592 17 2 "[ . -1 . + 2]" 1
434 1 35 VAL MG1 1 61 LEU HA 5.000 . 5.000 3.537 2.716 5.430 0.430 11 0 "[ . 1 . 2]" 1
435 1 35 VAL MG1 1 64 LYS HB2 5.540 . 5.540 2.955 2.066 4.413 . 0 0 "[ . 1 . 2]" 1
436 1 35 VAL MG1 1 64 LYS HB3 5.540 . 5.540 3.381 2.139 4.712 . 0 0 "[ . 1 . 2]" 1
437 1 35 VAL MG1 1 66 ALA HA 3.360 . 3.360 2.627 2.012 3.733 0.373 17 0 "[ . 1 . 2]" 1
438 1 35 VAL MG1 1 66 ALA MB 3.810 . 3.810 2.516 1.850 3.602 . 0 0 "[ . 1 . 2]" 1
439 1 35 VAL MG2 1 61 LEU HA 5.000 . 5.000 4.667 2.719 5.413 0.413 9 0 "[ . 1 . 2]" 1
440 1 35 VAL MG2 1 64 LYS HB2 5.540 . 5.540 3.006 2.053 4.170 . 0 0 "[ . 1 . 2]" 1
441 1 35 VAL MG2 1 64 LYS HB3 5.540 . 5.540 3.233 2.027 5.134 . 0 0 "[ . 1 . 2]" 1
442 1 35 VAL MG2 1 66 ALA HA 3.360 . 3.360 2.955 2.040 4.013 0.653 8 4 "[ . + 1 -** 2]" 1
443 1 36 ASN H 1 36 ASN QB 2.790 . 2.790 2.703 2.366 3.118 0.328 14 0 "[ . 1 . 2]" 1
444 1 36 ASN H 1 37 ALA H 2.660 . 2.660 2.468 1.587 2.959 0.299 12 0 "[ . 1 . 2]" 1
445 1 36 ASN H 1 37 ALA MB 3.600 . 3.600 3.691 3.318 4.042 0.442 20 0 "[ . 1 . 2]" 1
446 1 36 ASN H 1 66 ALA HA 5.000 . 5.000 4.694 4.130 5.074 0.074 4 0 "[ . 1 . 2]" 1
447 1 36 ASN H 1 67 ASP H 5.000 . 5.000 4.903 4.456 5.177 0.177 20 0 "[ . 1 . 2]" 1
448 1 36 ASN HA 1 37 ALA H 3.120 . 3.120 3.017 2.727 3.311 0.191 4 0 "[ . 1 . 2]" 1
449 1 36 ASN HA 1 37 ALA HA 5.000 . 5.000 4.596 4.412 4.815 . 0 0 "[ . 1 . 2]" 1
450 1 36 ASN HA 1 44 THR HA 5.000 . 5.000 4.708 4.022 5.130 0.130 19 0 "[ . 1 . 2]" 1
451 1 36 ASN HA 1 44 THR HB 4.750 . 4.750 3.458 2.254 4.707 . 0 0 "[ . 1 . 2]" 1
452 1 36 ASN HA 1 44 THR MG 4.000 . 4.000 2.852 2.020 3.798 . 0 0 "[ . 1 . 2]" 1
453 1 36 ASN HA 1 46 LEU H 5.000 . 5.000 4.812 3.466 5.393 0.393 19 0 "[ . 1 . 2]" 1
454 1 36 ASN HA 1 66 ALA HA 5.000 . 5.000 4.816 4.333 5.119 0.119 5 0 "[ . 1 . 2]" 1
455 1 36 ASN HA 1 67 ASP H 4.580 . 4.580 3.856 3.237 4.852 0.272 3 0 "[ . 1 . 2]" 1
456 1 36 ASN QB 1 37 ALA HA 4.880 . 4.880 4.462 4.084 4.711 . 0 0 "[ . 1 . 2]" 1
457 1 36 ASN QB 1 44 THR MG 4.400 . 4.400 3.814 2.768 4.403 0.003 9 0 "[ . 1 . 2]" 1
458 1 36 ASN QB 1 67 ASP H 4.880 . 4.880 2.837 1.933 4.206 . 0 0 "[ . 1 . 2]" 1
459 1 36 ASN HB2 1 44 THR MG 5.000 . 5.000 4.314 3.430 4.987 . 0 0 "[ . 1 . 2]" 1
460 1 36 ASN HB3 1 44 THR MG 5.000 . 5.000 4.418 2.809 5.145 0.145 17 0 "[ . 1 . 2]" 1
461 1 37 ALA H 1 37 ALA HA 2.910 . 2.910 2.934 2.833 2.973 0.063 8 0 "[ . 1 . 2]" 1
462 1 37 ALA H 1 37 ALA MB 2.450 . 2.450 2.333 2.071 2.590 0.140 12 0 "[ . 1 . 2]" 1
463 1 37 ALA H 1 44 THR HA 5.000 . 5.000 4.633 3.917 5.179 0.179 15 0 "[ . 1 . 2]" 1
464 1 37 ALA H 1 44 THR HB 5.000 . 5.000 4.882 4.000 5.463 0.463 12 0 "[ . 1 . 2]" 1
465 1 37 ALA HA 1 38 ARG H 2.360 . 2.360 2.188 2.095 2.343 . 0 0 "[ . 1 . 2]" 1
466 1 37 ALA HA 1 38 ARG HA 5.000 . 5.000 4.414 4.234 4.511 . 0 0 "[ . 1 . 2]" 1
467 1 37 ALA HA 1 38 ARG QB 4.880 . 4.880 4.530 3.737 4.858 . 0 0 "[ . 1 . 2]" 1
468 1 37 ALA HA 1 38 ARG QD 5.000 . 5.000 3.546 2.637 5.164 0.164 15 0 "[ . 1 . 2]" 1
469 1 37 ALA HA 1 38 ARG QG 4.820 . 4.820 3.919 3.365 5.433 0.613 13 1 "[ . 1 + . 2]" 1
470 1 37 ALA MB 1 38 ARG QG 5.000 . 5.000 4.711 4.232 5.465 0.465 13 0 "[ . 1 . 2]" 1
471 1 38 ARG H 1 38 ARG QB 3.090 . 3.090 2.653 2.016 3.024 . 0 0 "[ . 1 . 2]" 1
472 1 38 ARG H 1 38 ARG QG 2.720 . 2.720 2.353 1.666 3.856 1.136 13 1 "[ . 1 + . 2]" 1
473 1 38 ARG HA 1 38 ARG QD 3.720 . 3.720 3.449 2.232 4.095 0.375 7 0 "[ . 1 . 2]" 1
474 1 38 ARG HA 1 38 ARG QG 3.760 . 3.760 2.882 2.164 3.439 . 0 0 "[ . 1 . 2]" 1
475 1 38 ARG HA 1 39 SER H 2.520 . 2.520 2.421 2.219 2.574 0.054 16 0 "[ . 1 . 2]" 1
476 1 38 ARG HA 1 44 THR HA 4.350 . 4.350 2.384 2.108 2.784 . 0 0 "[ . 1 . 2]" 1
477 1 38 ARG HA 1 44 THR MG 4.190 . 4.190 3.215 2.290 4.345 0.155 11 0 "[ . 1 . 2]" 1
478 1 38 ARG QB 1 40 LYS H 4.880 . 4.880 4.185 3.078 4.933 0.053 14 0 "[ . 1 . 2]" 1
479 1 38 ARG QB 1 42 GLY H 3.340 . 3.340 3.346 2.782 3.718 0.378 13 0 "[ . 1 . 2]" 1
480 1 38 ARG QB 1 42 GLY HA2 4.270 . 4.270 2.455 2.106 3.882 . 0 0 "[ . 1 . 2]" 1
481 1 38 ARG QB 1 42 GLY HA3 4.880 . 4.880 3.883 3.427 5.334 0.454 13 0 "[ . 1 . 2]" 1
482 1 38 ARG QB 1 43 ASN H 4.880 . 4.880 2.788 2.258 3.911 . 0 0 "[ . 1 . 2]" 1
483 1 38 ARG QB 1 43 ASN QB 4.750 . 4.750 4.340 3.540 5.137 0.387 13 0 "[ . 1 . 2]" 1
484 1 38 ARG QB 1 44 THR MG 4.180 . 4.180 3.295 2.029 4.524 0.344 8 0 "[ . 1 . 2]" 1
485 1 38 ARG HB2 1 42 GLY HA2 5.000 . 5.000 3.093 2.288 4.400 . 0 0 "[ . 1 . 2]" 1
486 1 38 ARG HB3 1 42 GLY HA2 5.000 . 5.000 2.763 2.260 4.318 . 0 0 "[ . 1 . 2]" 1
487 1 38 ARG QD 1 42 GLY HA2 4.520 . 4.520 3.368 2.185 4.397 . 0 0 "[ . 1 . 2]" 1
488 1 38 ARG QD 1 44 THR HA 5.000 . 5.000 4.402 2.625 5.298 0.298 7 0 "[ . 1 . 2]" 1
489 1 38 ARG QD 1 44 THR MG 3.420 . 3.420 3.091 1.967 4.326 0.906 15 2 "[ . 1 + - 2]" 1
490 1 38 ARG QG 1 42 GLY HA2 3.930 . 3.930 2.376 2.046 3.211 . 0 0 "[ . 1 . 2]" 1
491 1 38 ARG QG 1 42 GLY HA3 4.190 . 4.190 3.768 3.378 4.274 0.084 4 0 "[ . 1 . 2]" 1
492 1 38 ARG QG 1 43 ASN H 4.140 . 4.140 3.993 2.053 4.516 0.376 8 0 "[ . 1 . 2]" 1
493 1 38 ARG QG 1 44 THR H 5.000 . 5.000 4.278 2.396 5.258 0.258 16 0 "[ . 1 . 2]" 1
494 1 38 ARG QG 1 44 THR HA 4.960 . 4.960 3.900 2.439 5.186 0.226 10 0 "[ . 1 . 2]" 1
495 1 38 ARG QG 1 44 THR MG 3.980 . 3.980 2.823 1.952 4.271 0.291 12 0 "[ . 1 . 2]" 1
496 1 38 ARG QG 1 72 SER HA 5.000 . 5.000 4.184 3.251 5.101 0.101 5 0 "[ . 1 . 2]" 1
497 1 39 SER H 1 39 SER QB 3.020 . 3.020 2.441 2.233 2.740 . 0 0 "[ . 1 . 2]" 1
498 1 39 SER H 1 40 LYS H 3.460 . 3.460 3.191 2.247 3.783 0.323 14 0 "[ . 1 . 2]" 1
499 1 39 SER H 1 42 GLY H 4.060 . 4.060 4.136 3.921 4.329 0.269 4 0 "[ . 1 . 2]" 1
500 1 39 SER H 1 42 GLY HA2 5.000 . 5.000 4.519 4.119 4.993 . 0 0 "[ . 1 . 2]" 1
501 1 39 SER H 1 43 ASN H 3.410 . 3.410 2.891 2.423 3.425 0.015 7 0 "[ . 1 . 2]" 1
502 1 39 SER H 1 43 ASN QB 4.880 . 4.880 3.545 2.643 4.557 . 0 0 "[ . 1 . 2]" 1
503 1 39 SER H 1 44 THR H 5.000 . 5.000 5.002 4.247 5.275 0.275 18 0 "[ . 1 . 2]" 1
504 1 39 SER H 1 44 THR HA 4.700 . 4.700 4.172 3.717 4.790 0.090 18 0 "[ . 1 . 2]" 1
505 1 39 SER HA 1 40 LYS HB2 5.000 . 5.000 5.068 4.225 5.944 0.944 15 1 "[ . 1 + 2]" 1
506 1 39 SER QB 1 40 LYS H 2.820 . 2.820 2.198 1.677 2.988 0.168 8 0 "[ . 1 . 2]" 1
507 1 39 SER HB2 1 40 LYS H 3.360 . 3.360 2.594 1.755 3.414 0.054 3 0 "[ . 1 . 2]" 1
508 1 39 SER HB2 1 41 ASP H 5.000 . 5.000 3.982 2.564 4.971 . 0 0 "[ . 1 . 2]" 1
509 1 39 SER HB3 1 40 LYS H 3.360 . 3.360 2.812 1.775 3.404 0.044 8 0 "[ . 1 . 2]" 1
510 1 39 SER HB3 1 41 ASP H 5.000 . 5.000 4.168 2.495 4.950 . 0 0 "[ . 1 . 2]" 1
511 1 40 LYS H 1 40 LYS HB2 2.950 . 2.950 2.625 2.132 3.503 0.553 15 1 "[ . 1 + 2]" 1
512 1 40 LYS H 1 40 LYS QG 3.500 . 3.500 3.616 2.116 4.229 0.729 10 2 "[ . + . -2]" 1
513 1 40 LYS H 1 41 ASP H 3.950 . 3.950 1.872 1.543 2.298 . 0 0 "[ . 1 . 2]" 1
514 1 40 LYS H 1 41 ASP QB 4.880 . 4.880 3.984 3.554 4.375 . 0 0 "[ . 1 . 2]" 1
515 1 40 LYS HA 1 40 LYS QD 4.110 . 4.110 3.156 2.236 4.104 . 0 0 "[ . 1 . 2]" 1
516 1 40 LYS HA 1 40 LYS QE 5.000 . 5.000 3.801 2.103 5.338 0.338 15 0 "[ . 1 . 2]" 1
517 1 40 LYS HA 1 40 LYS QG 3.470 . 3.470 2.402 2.163 3.393 . 0 0 "[ . 1 . 2]" 1
518 1 40 LYS HA 1 41 ASP HA 4.890 . 4.890 4.635 4.578 4.713 . 0 0 "[ . 1 . 2]" 1
519 1 40 LYS HB3 1 40 LYS QE 5.000 . 5.000 3.565 2.277 4.623 . 0 0 "[ . 1 . 2]" 1
520 1 40 LYS HB3 1 41 ASP H 4.040 . 4.040 3.462 2.842 4.305 0.265 15 0 "[ . 1 . 2]" 1
521 1 40 LYS HB3 1 41 ASP QB 4.860 . 4.860 4.466 3.529 5.439 0.579 15 1 "[ . 1 + 2]" 1
522 1 40 LYS QE 1 40 LYS QG 3.100 . 3.100 2.377 2.137 2.903 . 0 0 "[ . 1 . 2]" 1
523 1 40 LYS QG 1 41 ASP H 5.000 . 5.000 4.374 3.388 4.825 . 0 0 "[ . 1 . 2]" 1
524 1 41 ASP H 1 41 ASP HB2 4.160 . 4.160 2.754 2.326 3.682 . 0 0 "[ . 1 . 2]" 1
525 1 41 ASP H 1 41 ASP HB3 4.160 . 4.160 3.102 2.435 3.712 . 0 0 "[ . 1 . 2]" 1
526 1 41 ASP H 1 42 GLY H 3.780 . 3.780 2.824 2.255 3.217 . 0 0 "[ . 1 . 2]" 1
527 1 41 ASP H 1 42 GLY HA2 5.000 . 5.000 4.778 4.579 5.229 0.229 13 0 "[ . 1 . 2]" 1
528 1 41 ASP H 1 43 ASN H 4.870 . 4.870 3.423 2.968 3.892 . 0 0 "[ . 1 . 2]" 1
529 1 41 ASP HA 1 73 LYS QD 4.330 . 4.330 3.899 2.272 5.063 0.733 1 1 "[+ . 1 . 2]" 1
530 1 41 ASP HA 1 73 LYS QG 4.430 . 4.430 3.772 2.401 4.544 0.114 20 0 "[ . 1 . 2]" 1
531 1 41 ASP QB 1 73 LYS QD 4.880 . 4.880 4.107 2.041 5.060 0.180 4 0 "[ . 1 . 2]" 1
532 1 42 GLY H 1 42 GLY HA3 2.870 . 2.870 2.780 2.657 2.881 0.011 12 0 "[ . 1 . 2]" 1
533 1 42 GLY H 1 43 ASN H 2.920 . 2.920 2.068 1.499 2.921 0.001 16 0 "[ . 1 . 2]" 1
534 1 42 GLY H 1 43 ASN QB 4.880 . 4.880 3.941 3.135 4.932 0.052 6 0 "[ . 1 . 2]" 1
535 1 42 GLY H 1 73 LYS H 4.260 . 4.260 4.374 3.941 4.609 0.349 10 0 "[ . 1 . 2]" 1
536 1 42 GLY HA2 1 43 ASN H 3.480 . 3.480 3.052 2.944 3.204 . 0 0 "[ . 1 . 2]" 1
537 1 42 GLY HA2 1 72 SER HA 3.970 . 3.970 3.507 3.096 4.199 0.229 19 0 "[ . 1 . 2]" 1
538 1 42 GLY HA2 1 72 SER QB 4.880 . 4.880 4.191 3.053 4.961 0.081 2 0 "[ . 1 . 2]" 1
539 1 42 GLY HA2 1 73 LYS H 3.490 . 3.490 3.572 2.997 3.929 0.439 8 0 "[ . 1 . 2]" 1
540 1 42 GLY HA2 1 73 LYS QG 4.720 . 4.720 4.159 2.806 5.238 0.518 14 2 "[ . 1 +.- 2]" 1
541 1 42 GLY HA3 1 72 SER HA 3.930 . 3.930 2.843 2.296 3.980 0.050 19 0 "[ . 1 . 2]" 1
542 1 42 GLY HA3 1 72 SER QB 4.660 . 4.660 3.006 2.202 4.130 . 0 0 "[ . 1 . 2]" 1
543 1 42 GLY HA3 1 73 LYS H 2.560 . 2.560 2.112 1.737 2.676 0.116 10 0 "[ . 1 . 2]" 1
544 1 42 GLY HA3 1 73 LYS QG 4.650 . 4.650 3.299 2.256 4.406 . 0 0 "[ . 1 . 2]" 1
545 1 43 ASN H 1 43 ASN HB2 3.160 . 3.160 2.872 2.258 3.576 0.416 17 0 "[ . 1 . 2]" 1
546 1 43 ASN H 1 43 ASN QB 2.640 . 2.640 2.476 2.137 2.868 0.228 6 0 "[ . 1 . 2]" 1
547 1 43 ASN H 1 44 THR H 4.170 . 4.170 4.095 3.654 4.346 0.176 19 0 "[ . 1 . 2]" 1
548 1 43 ASN H 1 44 THR HA 5.000 . 5.000 5.045 4.781 5.185 0.185 18 0 "[ . 1 . 2]" 1
549 1 43 ASN H 1 48 LEU MD2 5.000 . 5.000 5.177 4.727 5.462 0.462 1 0 "[ . 1 . 2]" 1
550 1 43 ASN HA 1 44 THR H 2.830 . 2.830 2.245 2.088 2.489 . 0 0 "[ . 1 . 2]" 1
551 1 43 ASN QB 1 44 THR H 3.670 . 3.670 3.771 3.474 4.005 0.335 9 0 "[ . 1 . 2]" 1
552 1 43 ASN QB 1 47 HIS QB 4.880 . 4.880 3.877 2.567 5.815 0.935 19 1 "[ . 1 . +2]" 1
553 1 43 ASN QB 1 48 LEU MD2 3.800 . 3.800 2.465 2.013 3.169 . 0 0 "[ . 1 . 2]" 1
554 1 43 ASN QB 1 48 LEU HG 4.880 . 4.880 4.359 3.029 5.508 0.628 1 2 "[+ . 1 . -2]" 1
555 1 43 ASN HB2 1 48 LEU MD2 4.580 . 4.580 3.101 2.089 4.385 . 0 0 "[ . 1 . 2]" 1
556 1 43 ASN HB3 1 48 LEU MD2 4.580 . 4.580 2.909 2.210 4.058 . 0 0 "[ . 1 . 2]" 1
557 1 44 THR H 1 44 THR HB 4.000 . 4.000 3.378 2.884 3.616 . 0 0 "[ . 1 . 2]" 1
558 1 44 THR H 1 44 THR MG 3.280 . 3.280 2.714 1.667 3.668 0.388 6 0 "[ . 1 . 2]" 1
559 1 44 THR H 1 46 LEU H 5.000 . 5.000 5.089 4.668 5.498 0.498 19 0 "[ . 1 . 2]" 1
560 1 44 THR H 1 47 HIS QB 3.740 . 3.740 2.986 2.225 3.695 . 0 0 "[ . 1 . 2]" 1
561 1 44 THR H 1 48 LEU MD2 5.000 . 5.000 4.397 3.896 5.066 0.066 12 0 "[ . 1 . 2]" 1
562 1 44 THR HA 1 44 THR MG 3.330 . 3.330 2.334 2.117 3.044 . 0 0 "[ . 1 . 2]" 1
563 1 44 THR HA 1 45 PRO HA 4.440 . 4.440 4.391 4.197 4.461 0.021 1 0 "[ . 1 . 2]" 1
564 1 44 THR HA 1 45 PRO QG 4.910 . 4.910 4.051 3.835 4.215 . 0 0 "[ . 1 . 2]" 1
565 1 44 THR HA 1 46 LEU H 4.270 . 4.270 4.289 4.029 4.514 0.244 14 0 "[ . 1 . 2]" 1
566 1 44 THR HA 1 47 HIS H 5.000 . 5.000 4.588 4.168 4.821 . 0 0 "[ . 1 . 2]" 1
567 1 44 THR HB 1 45 PRO HA 4.770 . 4.770 5.058 4.716 5.537 0.767 17 3 "[ . 1* - + 2]" 1
568 1 44 THR HB 1 46 LEU H 3.100 . 3.100 2.953 2.550 3.839 0.739 15 3 "[ . 1* + - 2]" 1
569 1 44 THR HB 1 46 LEU QB 4.880 . 4.880 3.591 2.843 5.040 0.160 11 0 "[ . 1 . 2]" 1
570 1 44 THR HB 1 47 HIS H 4.120 . 4.120 3.580 2.756 4.429 0.309 15 0 "[ . 1 . 2]" 1
571 1 44 THR MG 1 45 PRO QG 4.700 . 4.700 4.299 3.345 4.871 0.171 20 0 "[ . 1 . 2]" 1
572 1 44 THR MG 1 47 HIS H 4.990 . 4.990 4.297 2.569 4.770 . 0 0 "[ . 1 . 2]" 1
573 1 45 PRO HA 1 48 LEU HB2 4.220 . 4.220 3.426 2.733 4.298 0.078 11 0 "[ . 1 . 2]" 1
574 1 45 PRO HA 1 48 LEU HG 4.160 . 4.160 3.827 2.897 4.357 0.197 12 0 "[ . 1 . 2]" 1
575 1 46 LEU H 1 46 LEU HB2 2.910 . 2.910 2.383 2.025 3.516 0.606 19 2 "[ . 1- . +2]" 1
576 1 46 LEU H 1 46 LEU QB 2.520 . 2.520 2.132 2.008 2.679 0.159 20 0 "[ . 1 . 2]" 1
577 1 46 LEU H 1 46 LEU HB3 2.910 . 2.910 2.955 2.079 3.438 0.528 20 2 "[ . 1 - +]" 1
578 1 46 LEU H 1 46 LEU QD 3.630 . 3.630 2.942 2.138 3.717 0.087 5 0 "[ . 1 . 2]" 1
579 1 46 LEU H 1 47 HIS H 3.150 . 3.150 2.560 2.368 2.852 . 0 0 "[ . 1 . 2]" 1
580 1 46 LEU H 1 47 HIS HA 4.760 . 4.760 5.121 4.942 5.308 0.548 1 1 "[+ . 1 . 2]" 1
581 1 46 LEU H 1 48 LEU H 4.740 . 4.740 4.589 3.977 4.910 0.170 14 0 "[ . 1 . 2]" 1
582 1 46 LEU H 1 49 ALA H 5.000 . 5.000 5.067 4.787 5.321 0.321 1 0 "[ . 1 . 2]" 1
583 1 46 LEU HA 1 46 LEU QD . . 2.920 2.227 1.906 3.058 0.138 19 0 "[ . 1 . 2]" 1
584 1 46 LEU HA 1 46 LEU HG 3.550 . 3.550 3.485 2.272 4.201 0.651 12 2 "[ . 1-+ . 2]" 1
585 1 46 LEU HA 1 58 VAL HA 4.900 . 4.900 4.016 3.430 4.596 . 0 0 "[ . 1 . 2]" 1
586 1 46 LEU HA 1 61 LEU HG 3.470 . 3.470 3.511 2.400 4.516 1.046 20 4 "[* . 1 *-. +]" 1
587 1 46 LEU QB 1 47 HIS H 3.320 . 3.320 2.952 2.577 3.654 0.334 11 0 "[ . 1 . 2]" 1
588 1 46 LEU HB2 1 66 ALA MB 3.930 . 3.930 3.522 2.704 4.746 0.816 20 1 "[ . 1 . +]" 1
589 1 46 LEU HB3 1 66 ALA MB 3.930 . 3.930 4.127 2.747 4.671 0.741 17 6 "[ - . * *.*+* 2]" 1
590 1 46 LEU QD 1 58 VAL HA . . 3.380 2.673 1.980 3.868 0.488 20 0 "[ . 1 . 2]" 1
591 1 46 LEU QD 1 58 VAL HB 5.000 . 5.000 4.190 3.787 5.119 0.119 20 0 "[ . 1 . 2]" 1
592 1 46 LEU QD 1 66 ALA HA 4.960 . 4.960 4.150 3.280 5.134 0.174 12 0 "[ . 1 . 2]" 1
593 1 46 LEU QD 1 66 ALA MB 3.330 . 3.330 2.128 1.766 3.362 0.032 11 0 "[ . 1 . 2]" 1
594 1 46 LEU HG 1 66 ALA MB 4.110 . 4.110 3.006 2.194 4.202 0.092 2 0 "[ . 1 . 2]" 1
595 1 47 HIS H 1 47 HIS HA 2.800 . 2.800 2.823 2.780 2.896 0.096 12 0 "[ . 1 . 2]" 1
596 1 47 HIS H 1 47 HIS QB 3.160 . 3.160 2.331 2.185 2.524 . 0 0 "[ . 1 . 2]" 1
597 1 47 HIS H 1 48 LEU H 2.990 . 2.990 2.798 2.233 2.973 . 0 0 "[ . 1 . 2]" 1
598 1 47 HIS H 1 49 ALA H 4.620 . 4.620 3.925 3.695 4.389 . 0 0 "[ . 1 . 2]" 1
599 1 47 HIS H 1 50 ALA H 5.000 . 5.000 4.557 4.425 4.720 . 0 0 "[ . 1 . 2]" 1
600 1 47 HIS H 1 50 ALA MB 5.000 . 5.000 4.476 4.222 4.931 . 0 0 "[ . 1 . 2]" 1
601 1 47 HIS HA 1 49 ALA H 4.580 . 4.580 3.915 3.410 4.691 0.111 7 0 "[ . 1 . 2]" 1
602 1 47 HIS HA 1 50 ALA H 3.750 . 3.750 3.278 2.802 3.710 . 0 0 "[ . 1 . 2]" 1
603 1 47 HIS HA 1 50 ALA HA 5.000 . 5.000 5.141 4.620 5.385 0.385 16 0 "[ . 1 . 2]" 1
604 1 47 HIS HA 1 50 ALA MB 3.550 . 3.550 2.399 2.126 2.746 . 0 0 "[ . 1 . 2]" 1
605 1 47 HIS QB 1 48 LEU H 3.350 . 3.350 2.531 2.089 3.478 0.128 12 0 "[ . 1 . 2]" 1
606 1 47 HIS QB 1 48 LEU HA 4.900 . 4.900 4.044 3.718 4.782 . 0 0 "[ . 1 . 2]" 1
607 1 47 HIS QB 1 48 LEU HB2 5.000 . 5.000 4.715 4.332 5.599 0.599 18 1 "[ . 1 . + 2]" 1
608 1 47 HIS QB 1 48 LEU MD2 5.000 . 5.000 2.809 2.204 4.785 . 0 0 "[ . 1 . 2]" 1
609 1 47 HIS QB 1 49 ALA H 4.340 . 4.340 4.421 4.022 5.124 0.784 12 2 "[ . 1 + . -2]" 1
610 1 47 HIS QB 1 50 ALA H 5.000 . 5.000 4.837 4.417 5.088 0.088 16 0 "[ . 1 . 2]" 1
611 1 47 HIS QB 1 51 LYS H 4.840 . 4.840 4.362 3.525 5.049 0.209 16 0 "[ . 1 . 2]" 1
612 1 47 HIS QB 1 81 LEU HG 4.950 . 4.950 4.648 3.365 5.280 0.330 16 0 "[ . 1 . 2]" 1
613 1 48 LEU H 1 48 LEU HB2 2.510 . 2.510 2.446 2.080 2.667 0.157 17 0 "[ . 1 . 2]" 1
614 1 48 LEU H 1 48 LEU HB3 3.460 . 3.460 3.557 3.010 3.675 0.215 4 0 "[ . 1 . 2]" 1
615 1 48 LEU H 1 48 LEU MD2 3.410 . 3.410 1.973 1.598 3.319 . 0 0 "[ . 1 . 2]" 1
616 1 48 LEU H 1 49 ALA H 2.910 . 2.910 2.780 2.398 3.054 0.144 7 0 "[ . 1 . 2]" 1
617 1 48 LEU H 1 50 ALA H 4.640 . 4.640 4.499 3.548 4.736 0.096 18 0 "[ . 1 . 2]" 1
618 1 48 LEU HA 1 48 LEU MD2 2.990 . 2.990 2.305 2.048 2.807 . 0 0 "[ . 1 . 2]" 1
619 1 48 LEU HA 1 48 LEU HG 3.890 . 3.890 3.655 3.571 3.701 . 0 0 "[ . 1 . 2]" 1
620 1 48 LEU HA 1 51 LYS HB2 4.970 . 4.970 4.209 2.875 5.714 0.744 15 1 "[ . 1 + 2]" 1
621 1 48 LEU HA 1 51 LYS HB3 4.610 . 4.610 3.538 2.262 4.581 . 0 0 "[ . 1 . 2]" 1
622 1 48 LEU HA 1 51 LYS QE 5.000 . 5.000 4.530 2.085 5.861 0.861 12 3 "[ .- 1 + . * 2]" 1
623 1 48 LEU HA 1 52 ASN H 4.330 . 4.330 3.991 3.431 4.422 0.092 10 0 "[ . 1 . 2]" 1
624 1 48 LEU HB2 1 48 LEU MD2 2.990 . 2.990 2.697 2.258 3.157 0.167 16 0 "[ . 1 . 2]" 1
625 1 48 LEU HB2 1 48 LEU HG 2.730 . 2.730 2.368 2.243 2.551 . 0 0 "[ . 1 . 2]" 1
626 1 48 LEU HB2 1 49 ALA H 2.920 . 2.920 2.905 2.311 3.312 0.392 11 0 "[ . 1 . 2]" 1
627 1 49 ALA H 1 49 ALA MB 2.480 . 2.480 2.283 2.119 2.399 . 0 0 "[ . 1 . 2]" 1
628 1 49 ALA H 1 50 ALA H 2.940 . 2.940 2.505 2.309 2.814 . 0 0 "[ . 1 . 2]" 1
629 1 49 ALA HA 1 52 ASN H 3.820 . 3.820 3.654 3.119 3.973 0.153 10 0 "[ . 1 . 2]" 1
630 1 49 ALA HA 1 52 ASN HB2 5.000 . 5.000 3.730 2.337 5.112 0.112 10 0 "[ . 1 . 2]" 1
631 1 49 ALA HA 1 52 ASN HB3 5.000 . 5.000 3.689 2.321 4.964 . 0 0 "[ . 1 . 2]" 1
632 1 49 ALA HA 1 53 GLY H 4.610 . 4.610 4.562 4.205 4.831 0.221 14 0 "[ . 1 . 2]" 1
633 1 49 ALA HA 1 54 HIS H 3.530 . 3.530 3.413 3.159 3.870 0.340 16 0 "[ . 1 . 2]" 1
634 1 49 ALA HA 1 57 ILE HB 5.000 . 5.000 4.115 3.395 4.614 . 0 0 "[ . 1 . 2]" 1
635 1 49 ALA HA 1 57 ILE MD 5.000 . 5.000 3.960 3.364 4.802 . 0 0 "[ . 1 . 2]" 1
636 1 49 ALA HA 1 57 ILE MG 4.940 . 4.940 4.200 3.653 5.012 0.072 18 0 "[ . 1 . 2]" 1
637 1 49 ALA HA 1 58 VAL MG2 4.050 . 4.050 3.813 3.508 4.068 0.018 7 0 "[ . 1 . 2]" 1
638 1 49 ALA MB 1 53 GLY H 5.000 . 5.000 5.035 4.672 5.213 0.213 10 0 "[ . 1 . 2]" 1
639 1 49 ALA MB 1 54 HIS H 3.390 . 3.390 3.624 3.461 3.822 0.432 10 0 "[ . 1 . 2]" 1
640 1 49 ALA MB 1 54 HIS HB2 4.160 . 4.160 3.085 2.265 4.196 0.036 16 0 "[ . 1 . 2]" 1
641 1 49 ALA MB 1 54 HIS HB3 5.000 . 5.000 3.394 2.247 5.349 0.349 16 0 "[ . 1 . 2]" 1
642 1 49 ALA MB 1 57 ILE HB 3.910 . 3.910 2.392 2.063 2.945 . 0 0 "[ . 1 . 2]" 1
643 1 49 ALA MB 1 57 ILE MD 3.190 . 3.190 3.157 2.521 3.656 0.466 10 0 "[ . 1 . 2]" 1
644 1 49 ALA MB 1 57 ILE MG 3.710 . 3.710 2.285 1.878 3.048 . 0 0 "[ . 1 . 2]" 1
645 1 49 ALA MB 1 58 VAL H 3.210 . 3.210 2.906 2.231 3.417 0.207 16 0 "[ . 1 . 2]" 1
646 1 49 ALA MB 1 58 VAL HA 4.050 . 4.050 3.079 2.641 3.530 . 0 0 "[ . 1 . 2]" 1
647 1 49 ALA MB 1 58 VAL MG2 2.800 . 2.800 1.983 1.883 2.133 . 0 0 "[ . 1 . 2]" 1
648 1 49 ALA MB 1 61 LEU HG 3.570 . 3.570 3.855 3.546 4.519 0.949 20 2 "[ . 1 - +]" 1
649 1 50 ALA H 1 50 ALA HA 2.920 . 2.920 2.773 2.709 2.886 . 0 0 "[ . 1 . 2]" 1
650 1 50 ALA H 1 50 ALA MB 2.390 . 2.390 2.221 2.074 2.304 . 0 0 "[ . 1 . 2]" 1
651 1 50 ALA H 1 52 ASN H 5.000 . 5.000 4.317 3.727 4.793 . 0 0 "[ . 1 . 2]" 1
652 1 50 ALA H 1 58 VAL HA 5.000 . 5.000 5.080 4.707 5.367 0.367 10 0 "[ . 1 . 2]" 1
653 1 50 ALA H 1 58 VAL MG2 3.140 . 3.140 2.947 2.351 3.530 0.390 20 0 "[ . 1 . 2]" 1
654 1 50 ALA H 1 90 ILE MD 4.730 . 4.730 4.811 4.254 5.201 0.471 13 0 "[ . 1 . 2]" 1
655 1 50 ALA HA 1 53 GLY H 3.830 . 3.830 3.675 3.334 3.900 0.070 6 0 "[ . 1 . 2]" 1
656 1 50 ALA HA 1 53 GLY HA2 5.000 . 5.000 3.854 3.441 4.299 . 0 0 "[ . 1 . 2]" 1
657 1 50 ALA HA 1 54 HIS H 4.400 . 4.400 3.962 3.219 4.441 0.041 6 0 "[ . 1 . 2]" 1
658 1 50 ALA HA 1 82 ALA MB 4.500 . 4.500 3.745 2.872 4.528 0.028 7 0 "[ . 1 . 2]" 1
659 1 50 ALA HA 1 90 ILE HB 5.000 . 5.000 4.421 3.688 4.989 . 0 0 "[ . 1 . 2]" 1
660 1 50 ALA HA 1 90 ILE MD 3.530 . 3.530 2.574 2.148 3.150 . 0 0 "[ . 1 . 2]" 1
661 1 50 ALA HA 1 90 ILE MG 3.160 . 3.160 2.826 2.164 3.494 0.334 1 0 "[ . 1 . 2]" 1
662 1 50 ALA MB 1 51 LYS H 2.730 . 2.730 2.270 2.059 2.780 0.050 6 0 "[ . 1 . 2]" 1
663 1 50 ALA MB 1 53 GLY H 5.000 . 5.000 4.445 4.208 4.812 . 0 0 "[ . 1 . 2]" 1
664 1 50 ALA MB 1 78 PRO HA 3.910 . 3.910 3.009 2.527 3.688 . 0 0 "[ . 1 . 2]" 1
665 1 50 ALA MB 1 78 PRO QB 3.600 . 3.600 2.783 2.272 3.503 . 0 0 "[ . 1 . 2]" 1
666 1 50 ALA MB 1 90 ILE MG 3.660 . 3.660 2.504 2.053 3.215 . 0 0 "[ . 1 . 2]" 1
667 1 51 LYS H 1 51 LYS HB2 2.750 . 2.750 2.485 1.982 3.386 0.636 15 3 "[- . 1 *+ 2]" 1
668 1 51 LYS H 1 51 LYS HB3 2.790 . 2.790 2.631 1.926 3.418 0.628 20 3 "[ . * 1- . +]" 1
669 1 51 LYS H 1 52 ASN H 2.980 . 2.980 2.849 2.611 3.098 0.118 16 0 "[ . 1 . 2]" 1
670 1 51 LYS H 1 52 ASN QB 4.810 . 4.810 4.708 4.457 5.058 0.248 10 0 "[ . 1 . 2]" 1
671 1 51 LYS H 1 58 VAL MG2 4.990 . 4.990 4.867 4.277 5.219 0.229 20 0 "[ . 1 . 2]" 1
672 1 51 LYS H 1 81 LEU QD 5.000 . 5.000 3.063 2.060 4.513 . 0 0 "[ . 1 . 2]" 1
673 1 51 LYS HA 1 51 LYS QD 4.800 . 4.800 3.497 2.667 4.146 . 0 0 "[ . 1 . 2]" 1
674 1 51 LYS HA 1 51 LYS HG2 4.240 . 4.240 3.230 2.153 4.274 0.034 19 0 "[ . 1 . 2]" 1
675 1 51 LYS HA 1 51 LYS QG 3.410 . 3.410 2.571 2.132 3.475 0.065 14 0 "[ . 1 . 2]" 1
676 1 51 LYS HA 1 51 LYS HG3 4.240 . 4.240 2.996 2.236 4.146 . 0 0 "[ . 1 . 2]" 1
677 1 51 LYS HA 1 53 GLY H 4.750 . 4.750 3.655 3.370 4.310 . 0 0 "[ . 1 . 2]" 1
678 1 51 LYS HA 1 81 LEU HA 5.000 . 5.000 4.515 3.734 5.016 0.016 2 0 "[ . 1 . 2]" 1
679 1 51 LYS HA 1 81 LEU HB2 5.000 . 5.000 3.611 2.239 5.054 0.054 2 0 "[ . 1 . 2]" 1
680 1 51 LYS HA 1 81 LEU HB3 3.940 . 3.940 3.092 2.280 4.149 0.209 19 0 "[ . 1 . 2]" 1
681 1 51 LYS HA 1 81 LEU QD 5.000 . 5.000 3.417 2.098 4.372 . 0 0 "[ . 1 . 2]" 1
682 1 51 LYS HA 1 82 ALA HA 4.180 . 4.180 4.010 3.260 4.441 0.261 16 0 "[ . 1 . 2]" 1
683 1 51 LYS HA 1 85 ASN HB2 5.000 . 5.000 4.672 3.081 5.484 0.484 1 0 "[ . 1 . 2]" 1
684 1 51 LYS HB2 1 51 LYS QE 5.000 . 5.000 3.158 2.193 4.539 . 0 0 "[ . 1 . 2]" 1
685 1 51 LYS HB2 1 81 LEU HA 5.000 . 5.000 5.004 4.266 5.945 0.945 20 2 "[ . - 1 . +]" 1
686 1 51 LYS HB2 1 81 LEU HB3 4.160 . 4.160 2.987 2.255 4.231 0.071 20 0 "[ . 1 . 2]" 1
687 1 51 LYS HB2 1 81 LEU QD 5.000 . 5.000 2.512 1.997 4.617 . 0 0 "[ . 1 . 2]" 1
688 1 51 LYS HB3 1 52 ASN H 3.040 . 3.040 2.597 2.204 3.405 0.365 15 0 "[ . 1 . 2]" 1
689 1 51 LYS HB3 1 81 LEU HB3 4.510 . 4.510 4.344 3.200 4.793 0.283 20 0 "[ . 1 . 2]" 1
690 1 51 LYS QD 1 81 LEU QD 4.160 . 4.160 3.016 2.017 4.452 0.292 5 0 "[ . 1 . 2]" 1
691 1 51 LYS QD 1 81 LEU HG 4.400 . 4.400 4.632 2.091 5.954 1.554 18 6 "[* .* 1 ** +-2]" 1
692 1 51 LYS QE 1 52 ASN H 4.950 . 4.950 4.529 3.037 5.677 0.727 11 2 "[ . - 1+ . 2]" 1
693 1 51 LYS QE 1 81 LEU QD 4.530 . 4.530 3.468 2.053 4.788 0.258 13 0 "[ . 1 . 2]" 1
694 1 51 LYS QG 1 52 ASN H 4.030 . 4.030 3.506 1.972 4.265 0.235 6 0 "[ . 1 . 2]" 1
695 1 51 LYS QG 1 52 ASN HA 4.340 . 4.340 4.066 2.913 5.442 1.102 8 4 "[ .* + 1- . *]" 1
696 1 52 ASN H 1 52 ASN HB2 3.050 . 3.050 2.663 2.185 3.580 0.530 18 1 "[ . 1 . + 2]" 1
697 1 52 ASN H 1 52 ASN QB 2.570 . 2.570 2.261 2.155 2.397 . 0 0 "[ . 1 . 2]" 1
698 1 52 ASN H 1 52 ASN HB3 3.050 . 3.050 2.893 2.176 3.523 0.473 7 0 "[ . 1 . 2]" 1
699 1 52 ASN HA 1 53 GLY H 3.310 . 3.310 3.285 3.171 3.399 0.089 16 0 "[ . 1 . 2]" 1
700 1 53 GLY H 1 53 GLY HA2 2.670 . 2.670 2.292 2.263 2.341 . 0 0 "[ . 1 . 2]" 1
701 1 53 GLY H 1 53 GLY HA3 2.800 . 2.800 2.814 2.750 2.894 0.094 16 0 "[ . 1 . 2]" 1
702 1 53 GLY H 1 54 HIS H 2.850 . 2.850 2.777 2.531 3.046 0.196 6 0 "[ . 1 . 2]" 1
703 1 53 GLY H 1 58 VAL MG2 4.520 . 4.520 4.653 4.264 4.987 0.467 7 0 "[ . 1 . 2]" 1
704 1 53 GLY H 1 90 ILE MD 3.310 . 3.310 3.459 3.162 3.655 0.345 16 0 "[ . 1 . 2]" 1
705 1 53 GLY HA2 1 54 HIS H 3.220 . 3.220 2.963 2.816 3.161 . 0 0 "[ . 1 . 2]" 1
706 1 53 GLY HA2 1 87 HIS QB 5.000 . 5.000 3.753 2.708 4.633 . 0 0 "[ . 1 . 2]" 1
707 1 53 GLY HA2 1 90 ILE MD 3.640 . 3.640 2.069 1.986 2.198 . 0 0 "[ . 1 . 2]" 1
708 1 53 GLY HA3 1 90 ILE MD 3.900 . 3.900 3.355 3.146 3.562 . 0 0 "[ . 1 . 2]" 1
709 1 54 HIS H 1 54 HIS HB2 2.800 . 2.800 2.495 2.168 3.387 0.587 6 3 "[ .+ * .- 2]" 1
710 1 54 HIS H 1 54 HIS HB3 3.420 . 3.420 3.350 2.887 3.636 0.216 16 0 "[ . 1 . 2]" 1
711 1 54 HIS H 1 55 ALA H 4.190 . 4.190 3.723 3.411 3.873 . 0 0 "[ . 1 . 2]" 1
712 1 54 HIS H 1 55 ALA HA 5.000 . 5.000 4.837 4.588 4.992 . 0 0 "[ . 1 . 2]" 1
713 1 54 HIS H 1 58 VAL MG2 3.540 . 3.540 3.367 2.890 3.922 0.382 7 0 "[ . 1 . 2]" 1
714 1 54 HIS H 1 90 ILE MD 3.110 . 3.110 3.173 2.819 3.403 0.293 7 0 "[ . 1 . 2]" 1
715 1 54 HIS HA 1 55 ALA H 2.450 . 2.450 2.365 2.115 2.511 0.061 3 0 "[ . 1 . 2]" 1
716 1 54 HIS HA 1 55 ALA MB 4.580 . 4.580 4.107 3.905 4.204 . 0 0 "[ . 1 . 2]" 1
717 1 54 HIS HA 1 56 GLU H 4.000 . 4.000 3.102 2.877 3.288 . 0 0 "[ . 1 . 2]" 1
718 1 54 HIS HA 1 56 GLU QB 4.700 . 4.700 4.398 3.732 5.134 0.434 19 0 "[ . 1 . 2]" 1
719 1 54 HIS HA 1 57 ILE H 4.470 . 4.470 4.103 3.823 4.394 . 0 0 "[ . 1 . 2]" 1
720 1 54 HIS HA 1 57 ILE MD 4.900 . 4.900 4.577 3.881 5.779 0.879 7 2 "[ . + 1 - . 2]" 1
721 1 54 HIS HA 1 90 ILE MD 4.610 . 4.610 4.196 3.658 4.611 0.001 7 0 "[ . 1 . 2]" 1
722 1 54 HIS HB2 1 55 ALA H 4.690 . 4.690 4.519 4.139 4.701 0.011 8 0 "[ . 1 . 2]" 1
723 1 54 HIS HB2 1 57 ILE H 4.260 . 4.260 3.789 2.186 4.630 0.370 7 0 "[ . 1 . 2]" 1
724 1 54 HIS HB2 1 57 ILE HB 4.150 . 4.150 3.247 2.294 4.173 0.023 4 0 "[ . 1 . 2]" 1
725 1 54 HIS HB2 1 57 ILE MG 4.750 . 4.750 4.473 3.367 5.297 0.547 4 1 "[ +. 1 . 2]" 1
726 1 54 HIS HB3 1 56 GLU H 5.000 . 5.000 3.779 3.112 4.473 . 0 0 "[ . 1 . 2]" 1
727 1 54 HIS HB3 1 57 ILE H 3.660 . 3.660 2.822 2.170 3.893 0.233 10 0 "[ . 1 . 2]" 1
728 1 54 HIS HB3 1 57 ILE HB 4.140 . 4.140 2.766 2.266 4.163 0.023 6 0 "[ . 1 . 2]" 1
729 1 54 HIS HB3 1 57 ILE MD 4.100 . 4.100 2.583 2.007 3.748 . 0 0 "[ . 1 . 2]" 1
730 1 54 HIS HB3 1 57 ILE QG 5.000 . 5.000 3.354 2.054 4.133 . 0 0 "[ . 1 . 2]" 1
731 1 55 ALA H 1 55 ALA MB 2.560 . 2.560 2.224 2.170 2.260 . 0 0 "[ . 1 . 2]" 1
732 1 55 ALA H 1 56 GLU H 3.350 . 3.350 2.710 2.461 2.870 . 0 0 "[ . 1 . 2]" 1
733 1 55 ALA H 1 57 ILE H 4.960 . 4.960 4.569 4.271 4.912 . 0 0 "[ . 1 . 2]" 1
734 1 55 ALA H 1 58 VAL MG2 4.330 . 4.330 3.902 3.603 4.312 . 0 0 "[ . 1 . 2]" 1
735 1 55 ALA H 1 89 GLU QB 4.450 . 4.450 4.481 3.679 4.841 0.391 20 0 "[ . 1 . 2]" 1
736 1 55 ALA H 1 90 ILE MD 3.320 . 3.320 2.911 2.317 3.414 0.094 7 0 "[ . 1 . 2]" 1
737 1 55 ALA HA 1 58 VAL HB 3.570 . 3.570 2.621 2.263 3.963 0.393 20 0 "[ . 1 . 2]" 1
738 1 55 ALA HA 1 58 VAL MG1 4.450 . 4.450 3.902 3.593 4.572 0.122 20 0 "[ . 1 . 2]" 1
739 1 55 ALA HA 1 58 VAL MG2 3.160 . 3.160 2.562 1.999 2.916 . 0 0 "[ . 1 . 2]" 1
740 1 55 ALA HA 1 59 LYS H 3.830 . 3.830 3.926 3.291 4.498 0.668 1 2 "[+ . - 1 . 2]" 1
741 1 55 ALA HA 1 90 ILE HA 4.270 . 4.270 4.236 3.628 4.491 0.221 4 0 "[ . 1 . 2]" 1
742 1 55 ALA HA 1 90 ILE MD 3.480 . 3.480 2.822 2.231 3.156 . 0 0 "[ . 1 . 2]" 1
743 1 55 ALA HA 1 90 ILE QG 4.660 . 4.660 2.835 2.121 4.630 . 0 0 "[ . 1 . 2]" 1
744 1 55 ALA MB 1 56 GLU H 3.080 . 3.080 2.901 2.760 3.046 . 0 0 "[ . 1 . 2]" 1
745 1 55 ALA MB 1 56 GLU HA 5.000 . 5.000 3.882 3.777 3.942 . 0 0 "[ . 1 . 2]" 1
746 1 55 ALA MB 1 58 VAL HB 4.670 . 4.670 4.046 3.715 5.134 0.464 20 0 "[ . 1 . 2]" 1
747 1 55 ALA MB 1 89 GLU H 5.000 . 5.000 5.130 4.815 5.402 0.402 15 0 "[ . 1 . 2]" 1
748 1 55 ALA MB 1 89 GLU QB 3.990 . 3.990 2.515 2.250 2.802 . 0 0 "[ . 1 . 2]" 1
749 1 55 ALA MB 1 90 ILE MD 3.270 . 3.270 2.716 2.145 3.336 0.066 16 0 "[ . 1 . 2]" 1
750 1 55 ALA MB 1 90 ILE QG 4.750 . 4.750 2.936 2.128 3.751 . 0 0 "[ . 1 . 2]" 1
751 1 56 GLU H 1 56 GLU QB 2.830 . 2.830 2.426 2.061 2.838 0.008 19 0 "[ . 1 . 2]" 1
752 1 56 GLU H 1 56 GLU QG 3.420 . 3.420 2.820 1.730 3.916 0.496 9 0 "[ . 1 . 2]" 1
753 1 56 GLU H 1 57 ILE H 3.060 . 3.060 2.681 2.470 2.927 . 0 0 "[ . 1 . 2]" 1
754 1 56 GLU H 1 57 ILE MD 5.000 . 5.000 4.917 3.629 5.799 0.799 7 2 "[ . + 1 - . 2]" 1
755 1 56 GLU H 1 57 ILE QG 4.880 . 4.880 4.644 4.065 5.277 0.397 12 0 "[ . 1 . 2]" 1
756 1 56 GLU H 1 58 VAL H 4.330 . 4.330 4.114 3.643 4.412 0.082 11 0 "[ . 1 . 2]" 1
757 1 56 GLU H 1 58 VAL MG2 4.290 . 4.290 4.388 3.769 4.599 0.309 19 0 "[ . 1 . 2]" 1
758 1 56 GLU H 1 59 LYS H 5.000 . 5.000 5.008 4.620 5.623 0.623 1 2 "[+ . 1 - 2]" 1
759 1 56 GLU HA 1 59 LYS QE 4.050 . 4.050 3.355 1.978 4.432 0.382 17 0 "[ . 1 . 2]" 1
760 1 56 GLU HA 1 60 LEU QD 5.000 . 5.000 4.007 3.353 4.737 . 0 0 "[ . 1 . 2]" 1
761 1 56 GLU QB 1 59 LYS QG 5.000 . 5.000 4.863 3.815 5.807 0.807 9 3 "[-* . +1 . 2]" 1
762 1 57 ILE H 1 57 ILE HB 2.630 . 2.630 2.380 2.163 2.593 . 0 0 "[ . 1 . 2]" 1
763 1 57 ILE H 1 57 ILE MD 3.490 . 3.490 3.208 1.907 3.843 0.353 13 0 "[ . 1 . 2]" 1
764 1 57 ILE H 1 57 ILE QG 3.060 . 3.060 2.539 1.835 3.113 0.053 15 0 "[ . 1 . 2]" 1
765 1 57 ILE H 1 58 VAL H 2.930 . 2.930 2.543 2.206 2.932 0.002 7 0 "[ . 1 . 2]" 1
766 1 57 ILE H 1 59 LYS H 4.260 . 4.260 4.269 3.831 4.702 0.442 1 0 "[ . 1 . 2]" 1
767 1 57 ILE HA 1 57 ILE QG . . 3.760 2.343 2.200 2.509 . 0 0 "[ . 1 . 2]" 1
768 1 57 ILE HA 1 57 ILE MG 3.490 . 3.490 2.407 2.274 2.614 . 0 0 "[ . 1 . 2]" 1
769 1 57 ILE HA 1 60 LEU H 3.280 . 3.280 3.319 3.043 3.627 0.347 15 0 "[ . 1 . 2]" 1
770 1 57 ILE HA 1 60 LEU HB2 3.490 . 3.490 2.553 2.250 3.234 . 0 0 "[ . 1 . 2]" 1
771 1 57 ILE HA 1 61 LEU H 4.070 . 4.070 4.185 3.773 4.532 0.462 1 0 "[ . 1 . 2]" 1
772 1 57 ILE HA 1 61 LEU MD2 4.690 . 4.690 3.868 3.345 5.253 0.563 20 1 "[ . 1 . +]" 1
773 1 57 ILE HB 1 57 ILE MD 3.620 . 3.620 2.346 2.154 3.077 . 0 0 "[ . 1 . 2]" 1
774 1 57 ILE HB 1 58 VAL H 3.070 . 3.070 2.626 1.967 3.286 0.216 17 0 "[ . 1 . 2]" 1
775 1 57 ILE MD 1 57 ILE MG 2.900 . 2.900 2.206 1.776 3.048 0.148 15 0 "[ . 1 . 2]" 1
776 1 57 ILE QG 1 58 VAL H 4.440 . 4.440 4.164 3.760 4.539 0.099 15 0 "[ . 1 . 2]" 1
777 1 57 ILE MG 1 60 LEU HB2 3.610 . 3.610 3.547 3.015 3.897 0.287 19 0 "[ . 1 . 2]" 1
778 1 58 VAL H 1 58 VAL HB 2.710 . 2.710 2.683 2.356 3.460 0.750 20 1 "[ . 1 . +]" 1
779 1 58 VAL H 1 58 VAL MG2 2.590 . 2.590 1.957 1.699 2.414 . 0 0 "[ . 1 . 2]" 1
780 1 58 VAL H 1 59 LYS H 3.340 . 3.340 2.909 2.482 3.296 . 0 0 "[ . 1 . 2]" 1
781 1 58 VAL H 1 60 LEU H 3.970 . 3.970 4.154 3.865 4.374 0.404 3 0 "[ . 1 . 2]" 1
782 1 58 VAL HA 1 58 VAL MG1 3.410 . 3.410 2.313 2.144 2.437 . 0 0 "[ . 1 . 2]" 1
783 1 58 VAL HA 1 58 VAL MG2 3.030 . 3.030 2.455 2.243 3.071 0.041 20 0 "[ . 1 . 2]" 1
784 1 58 VAL HA 1 59 LYS HA 5.000 . 5.000 4.723 4.553 4.973 . 0 0 "[ . 1 . 2]" 1
785 1 58 VAL HA 1 60 LEU H 5.000 . 5.000 4.323 3.848 4.614 . 0 0 "[ . 1 . 2]" 1
786 1 58 VAL HA 1 61 LEU H 3.740 . 3.740 3.631 3.234 3.922 0.182 9 0 "[ . 1 . 2]" 1
787 1 58 VAL HA 1 61 LEU QB 3.850 . 3.850 2.965 2.273 4.442 0.592 18 1 "[ . 1 . + 2]" 1
788 1 58 VAL HA 1 61 LEU HG 3.920 . 3.920 3.316 2.239 4.390 0.470 4 0 "[ . 1 . 2]" 1
789 1 58 VAL HB 1 59 LYS H 2.960 . 2.960 2.578 2.059 3.456 0.496 20 0 "[ . 1 . 2]" 1
790 1 58 VAL HB 1 59 LYS QB 4.240 . 4.240 4.057 3.752 4.713 0.473 7 0 "[ . 1 . 2]" 1
791 1 58 VAL HB 1 60 LEU H 4.950 . 4.950 4.887 4.534 5.190 0.240 20 0 "[ . 1 . 2]" 1
792 1 58 VAL MG1 1 59 LYS H 5.000 . 5.000 3.516 2.988 4.394 . 0 0 "[ . 1 . 2]" 1
793 1 58 VAL MG1 1 59 LYS HA 4.290 . 4.290 3.627 3.227 5.090 0.800 20 1 "[ . 1 . +]" 1
794 1 58 VAL MG2 1 59 LYS H 5.000 . 5.000 3.743 2.694 4.011 . 0 0 "[ . 1 . 2]" 1
795 1 59 LYS H 1 59 LYS QB 2.660 . 2.660 2.434 1.934 2.826 0.166 15 0 "[ . 1 . 2]" 1
796 1 59 LYS H 1 59 LYS QD 4.550 . 4.550 3.399 1.761 4.548 . 0 0 "[ . 1 . 2]" 1
797 1 59 LYS H 1 59 LYS QE 5.000 . 5.000 4.119 1.694 5.285 0.285 13 0 "[ . 1 . 2]" 1
798 1 59 LYS H 1 59 LYS QG 3.190 . 3.190 2.787 1.782 3.956 0.766 19 1 "[ . 1 . +2]" 1
799 1 59 LYS H 1 60 LEU H 3.050 . 3.050 2.594 2.253 2.964 . 0 0 "[ . 1 . 2]" 1
800 1 59 LYS H 1 61 LEU H 4.180 . 4.180 4.104 3.787 4.412 0.232 18 0 "[ . 1 . 2]" 1
801 1 59 LYS H 1 62 LEU H 5.000 . 5.000 5.009 4.655 5.474 0.474 20 0 "[ . 1 . 2]" 1
802 1 59 LYS HA 1 59 LYS QD 4.570 . 4.570 3.862 2.785 4.452 . 0 0 "[ . 1 . 2]" 1
803 1 59 LYS HA 1 59 LYS QG 3.760 . 3.760 3.295 2.394 3.566 . 0 0 "[ . 1 . 2]" 1
804 1 59 LYS HA 1 60 LEU H 3.540 . 3.540 3.504 3.334 3.630 0.090 15 0 "[ . 1 . 2]" 1
805 1 59 LYS HA 1 62 LEU QB 4.560 . 4.560 2.985 2.285 4.173 . 0 0 "[ . 1 . 2]" 1
806 1 59 LYS HA 1 62 LEU QD 3.450 . 3.450 2.977 2.252 3.884 0.434 14 0 "[ . 1 . 2]" 1
807 1 59 LYS HA 1 62 LEU HG 4.860 . 4.860 4.099 2.518 5.216 0.356 16 0 "[ . 1 . 2]" 1
808 1 59 LYS QB 1 59 LYS QE 3.780 . 3.780 3.184 2.070 3.781 0.001 20 0 "[ . 1 . 2]" 1
809 1 59 LYS QD 1 60 LEU H 3.830 . 3.830 3.183 1.784 4.247 0.417 12 0 "[ . 1 . 2]" 1
810 1 59 LYS QD 1 60 LEU QD 3.270 . 3.270 2.827 1.856 3.802 0.532 14 1 "[ . 1 +. 2]" 1
811 1 59 LYS QD 1 60 LEU HG 3.460 . 3.460 3.447 2.058 4.634 1.174 2 3 "[ + . - 1 * . 2]" 1
812 1 59 LYS QE 1 60 LEU QD 3.380 . 3.380 2.886 1.984 4.401 1.021 7 4 "[* - . + 1 * . 2]" 1
813 1 59 LYS QE 1 60 LEU HG 4.130 . 4.130 3.732 2.275 4.749 0.619 18 2 "[ . - 1 . + 2]" 1
814 1 59 LYS QG 1 60 LEU HG 4.400 . 4.400 3.501 2.070 5.079 0.679 19 2 "[ . 1 - +2]" 1
815 1 60 LEU H 1 60 LEU HB2 2.340 . 2.340 2.215 1.950 2.590 0.250 7 0 "[ . 1 . 2]" 1
816 1 60 LEU H 1 60 LEU HG 3.040 . 3.040 3.162 1.558 4.130 1.090 19 6 "[ .* 1* **. -+2]" 1
817 1 60 LEU H 1 61 LEU H 3.010 . 3.010 2.471 2.189 2.717 . 0 0 "[ . 1 . 2]" 1
818 1 60 LEU H 1 62 LEU H 4.760 . 4.760 4.176 3.831 4.607 . 0 0 "[ . 1 . 2]" 1
819 1 60 LEU HA 1 60 LEU QD 2.810 . 2.810 2.369 1.873 2.977 0.167 15 0 "[ . 1 . 2]" 1
820 1 60 LEU HA 1 60 LEU HG 4.010 . 4.010 2.620 2.062 3.626 . 0 0 "[ . 1 . 2]" 1
821 1 60 LEU HA 1 63 ALA MB 3.470 . 3.470 2.459 2.107 3.491 0.021 20 0 "[ . 1 . 2]" 1
822 1 60 LEU HB2 1 60 LEU QD 2.680 . 2.680 2.245 2.084 2.675 . 0 0 "[ . 1 . 2]" 1
823 1 60 LEU HB2 1 60 LEU HG 2.650 . 2.650 2.645 2.265 2.972 0.322 11 0 "[ . 1 . 2]" 1
824 1 60 LEU HB2 1 63 ALA MB 5.000 . 5.000 4.717 4.487 5.120 0.120 14 0 "[ . 1 . 2]" 1
825 1 60 LEU HB3 1 60 LEU QD 3.250 . 3.250 2.130 2.077 2.180 . 0 0 "[ . 1 . 2]" 1
826 1 60 LEU HB3 1 61 LEU H 3.470 . 3.470 3.450 2.869 3.910 0.440 7 0 "[ . 1 . 2]" 1
827 1 60 LEU HB3 1 63 ALA MB 5.000 . 5.000 3.895 3.465 4.787 . 0 0 "[ . 1 . 2]" 1
828 1 60 LEU QD 1 63 ALA MB 3.960 . 3.960 3.261 2.874 3.784 . 0 0 "[ . 1 . 2]" 1
829 1 61 LEU H 1 61 LEU QB 2.380 . 2.380 2.282 2.020 2.883 0.503 18 1 "[ . 1 . + 2]" 1
830 1 61 LEU H 1 61 LEU MD2 3.000 . 3.000 2.507 1.794 3.411 0.411 20 0 "[ . 1 . 2]" 1
831 1 61 LEU H 1 62 LEU H 3.000 . 3.000 2.662 2.442 2.889 . 0 0 "[ . 1 . 2]" 1
832 1 61 LEU H 1 63 ALA H 3.740 . 3.740 3.719 3.454 4.083 0.343 20 0 "[ . 1 . 2]" 1
833 1 61 LEU H 1 64 LYS H 5.000 . 5.000 5.223 4.758 5.511 0.511 5 1 "[ + 1 . 2]" 1
834 1 61 LEU HA 1 61 LEU MD1 3.500 . 3.500 2.834 2.022 3.742 0.242 6 0 "[ . 1 . 2]" 1
835 1 61 LEU HA 1 61 LEU MD2 3.020 . 3.020 2.344 2.007 3.960 0.940 20 2 "[ -. 1 . +]" 1
836 1 61 LEU HA 1 63 ALA H 3.620 . 3.620 3.696 3.366 3.917 0.297 3 0 "[ . 1 . 2]" 1
837 1 61 LEU HA 1 64 LYS H 3.340 . 3.340 3.498 2.984 3.938 0.598 15 1 "[ . 1 + 2]" 1
838 1 61 LEU HA 1 64 LYS QB 4.880 . 4.880 3.842 2.632 5.107 0.227 5 0 "[ . 1 . 2]" 1
839 1 61 LEU QB 1 62 LEU H 3.130 . 3.130 2.548 2.041 3.394 0.264 20 0 "[ . 1 . 2]" 1
840 1 62 LEU H 1 62 LEU HB2 3.320 . 3.320 2.407 2.055 3.500 0.180 18 0 "[ . 1 . 2]" 1
841 1 62 LEU H 1 62 LEU QB 2.840 . 2.840 2.182 2.015 2.515 . 0 0 "[ . 1 . 2]" 1
842 1 62 LEU H 1 62 LEU HB3 3.320 . 3.320 3.231 2.081 3.609 0.289 13 0 "[ . 1 . 2]" 1
843 1 62 LEU H 1 62 LEU QD 2.940 . 2.940 2.639 1.942 3.268 0.328 4 0 "[ . 1 . 2]" 1
844 1 62 LEU H 1 63 ALA H 2.920 . 2.920 2.558 2.319 2.822 . 0 0 "[ . 1 . 2]" 1
845 1 62 LEU H 1 64 LYS H 4.170 . 4.170 4.274 3.922 4.492 0.322 12 0 "[ . 1 . 2]" 1
846 1 62 LEU HA 1 62 LEU QD 2.970 . 2.970 2.203 1.968 3.064 0.094 15 0 "[ . 1 . 2]" 1
847 1 62 LEU HA 1 63 ALA H 3.310 . 3.310 3.408 3.312 3.462 0.152 6 0 "[ . 1 . 2]" 1
848 1 62 LEU HA 1 65 GLY H 3.960 . 3.960 3.023 2.606 3.494 . 0 0 "[ . 1 . 2]" 1
849 1 62 LEU HA 1 66 ALA H 2.920 . 2.920 2.172 1.523 2.694 . 0 0 "[ . 1 . 2]" 1
850 1 62 LEU HA 1 66 ALA HA 5.000 . 5.000 4.432 3.638 5.108 0.108 9 0 "[ . 1 . 2]" 1
851 1 62 LEU HA 1 66 ALA MB 3.300 . 3.300 2.471 1.996 3.210 . 0 0 "[ . 1 . 2]" 1
852 1 62 LEU QB 1 63 ALA MB 4.510 . 4.510 4.199 3.826 4.840 0.330 4 0 "[ . 1 . 2]" 1
853 1 62 LEU QB 1 64 LYS H 4.610 . 4.610 4.685 4.560 4.916 0.306 20 0 "[ . 1 . 2]" 1
854 1 62 LEU QD 1 63 ALA HA 5.000 . 5.000 4.479 2.282 5.257 0.257 9 0 "[ . 1 . 2]" 1
855 1 62 LEU QD 1 66 ALA H 3.240 . 3.240 3.229 2.709 3.590 0.350 9 0 "[ . 1 . 2]" 1
856 1 62 LEU QD 1 66 ALA HA 5.000 . 5.000 4.530 3.794 5.449 0.449 4 0 "[ . 1 . 2]" 1
857 1 62 LEU QD 1 66 ALA MB 3.000 . 3.000 2.434 1.922 3.541 0.541 4 1 "[ +. 1 . 2]" 1
858 1 62 LEU QD 1 97 LYS HA 5.000 . 5.000 4.576 3.136 5.394 0.394 19 0 "[ . 1 . 2]" 1
859 1 62 LEU QD 1 97 LYS QG 3.990 . 3.990 3.527 2.215 4.421 0.431 3 0 "[ . 1 . 2]" 1
860 1 63 ALA H 1 63 ALA HA 2.830 . 2.830 2.790 2.721 2.888 0.058 9 0 "[ . 1 . 2]" 1
861 1 63 ALA H 1 63 ALA MB 2.470 . 2.470 2.181 2.087 2.267 . 0 0 "[ . 1 . 2]" 1
862 1 63 ALA H 1 64 LYS H 2.830 . 2.830 2.665 2.228 2.886 0.056 7 0 "[ . 1 . 2]" 1
863 1 63 ALA H 1 64 LYS QE 5.000 . 5.000 4.687 3.366 5.945 0.945 4 1 "[ +. 1 . 2]" 1
864 1 63 ALA H 1 66 ALA MB 4.530 . 4.530 4.614 4.318 4.844 0.314 8 0 "[ . 1 . 2]" 1
865 1 63 ALA HA 1 64 LYS H 3.270 . 3.270 3.485 3.405 3.569 0.299 2 0 "[ . 1 . 2]" 1
866 1 63 ALA HA 1 64 LYS QD 5.000 . 5.000 4.864 4.236 5.881 0.881 11 3 "[ . -1+ * 2]" 1
867 1 63 ALA MB 1 64 LYS H 2.790 . 2.790 2.731 2.408 3.121 0.331 1 0 "[ . 1 . 2]" 1
868 1 63 ALA MB 1 64 LYS HA 4.120 . 4.120 3.856 3.616 4.100 . 0 0 "[ . 1 . 2]" 1
869 1 63 ALA MB 1 64 LYS QB 3.750 . 3.750 3.975 3.509 4.369 0.619 4 3 "[ +. - . * 2]" 1
870 1 63 ALA MB 1 64 LYS QD 3.140 . 3.140 2.737 2.160 4.568 1.428 11 1 "[ . 1+ . 2]" 1
871 1 63 ALA MB 1 64 LYS QE 4.970 . 4.970 2.809 2.106 3.724 . 0 0 "[ . 1 . 2]" 1
872 1 64 LYS H 1 64 LYS QB 3.020 . 3.020 2.473 2.052 3.061 0.041 20 0 "[ . 1 . 2]" 1
873 1 64 LYS H 1 64 LYS QD 3.710 . 3.710 2.973 1.724 4.245 0.535 11 1 "[ . 1+ . 2]" 1
874 1 64 LYS H 1 64 LYS QE 4.910 . 4.910 3.245 1.793 4.118 . 0 0 "[ . 1 . 2]" 1
875 1 64 LYS H 1 65 GLY H 2.820 . 2.820 2.260 1.845 2.534 . 0 0 "[ . 1 . 2]" 1
876 1 64 LYS H 1 66 ALA H 3.660 . 3.660 3.543 3.235 3.750 0.090 16 0 "[ . 1 . 2]" 1
877 1 64 LYS H 1 66 ALA MB 4.220 . 4.220 4.295 4.013 4.493 0.273 15 0 "[ . 1 . 2]" 1
878 1 64 LYS HA 1 64 LYS QD 3.460 . 3.460 2.939 1.777 4.131 0.671 5 2 "[ + 1 - . 2]" 1
879 1 64 LYS HA 1 64 LYS QE 4.460 . 4.460 3.201 2.012 4.950 0.490 20 0 "[ . 1 . 2]" 1
880 1 64 LYS HA 1 65 GLY H 3.200 . 3.200 3.310 3.132 3.437 0.237 5 0 "[ . 1 . 2]" 1
881 1 64 LYS QB 1 65 GLY H 3.540 . 3.540 3.258 2.435 3.719 0.179 20 0 "[ . 1 . 2]" 1
882 1 64 LYS QB 1 66 ALA H 4.140 . 4.140 3.925 3.210 4.325 0.185 18 0 "[ . 1 . 2]" 1
883 1 64 LYS HB2 1 65 GLY H 4.060 . 4.060 3.499 2.465 3.965 . 0 0 "[ . 1 . 2]" 1
884 1 64 LYS HB2 1 66 ALA H 5.000 . 5.000 4.205 3.253 5.118 0.118 3 0 "[ . 1 . 2]" 1
885 1 64 LYS HB3 1 65 GLY H 4.060 . 4.060 4.011 3.158 4.498 0.438 20 0 "[ . 1 . 2]" 1
886 1 64 LYS HB3 1 66 ALA H 5.000 . 5.000 4.945 4.230 5.425 0.425 12 0 "[ . 1 . 2]" 1
887 1 64 LYS QE 1 65 GLY H 5.000 . 5.000 4.933 4.222 5.741 0.741 17 1 "[ . 1 . + 2]" 1
888 1 65 GLY H 1 65 GLY HA2 2.770 . 2.770 2.406 2.320 2.497 . 0 0 "[ . 1 . 2]" 1
889 1 65 GLY H 1 65 GLY QA 2.420 . 2.420 2.302 2.229 2.375 . 0 0 "[ . 1 . 2]" 1
890 1 65 GLY H 1 65 GLY HA3 2.770 . 2.770 2.936 2.884 2.971 0.201 17 0 "[ . 1 . 2]" 1
891 1 65 GLY H 1 66 ALA H 2.800 . 2.800 2.194 1.834 2.528 . 0 0 "[ . 1 . 2]" 1
892 1 65 GLY H 1 66 ALA MB 4.100 . 4.100 3.889 3.587 4.163 0.063 16 0 "[ . 1 . 2]" 1
893 1 65 GLY QA 1 66 ALA H 3.000 . 3.000 2.747 2.636 2.859 . 0 0 "[ . 1 . 2]" 1
894 1 66 ALA H 1 66 ALA HA 2.810 . 2.810 2.762 2.656 2.862 0.052 9 0 "[ . 1 . 2]" 1
895 1 66 ALA H 1 66 ALA MB 2.550 . 2.550 2.194 2.110 2.325 . 0 0 "[ . 1 . 2]" 1
896 1 66 ALA HA 1 67 ASP H 2.490 . 2.490 2.312 2.098 2.477 . 0 0 "[ . 1 . 2]" 1
897 1 66 ALA HA 1 67 ASP QB 4.880 . 4.880 4.335 4.056 4.722 . 0 0 "[ . 1 . 2]" 1
898 1 66 ALA MB 1 67 ASP H 3.240 . 3.240 2.691 2.230 3.351 0.111 11 0 "[ . 1 . 2]" 1
899 1 67 ASP H 1 67 ASP HB2 3.360 . 3.360 2.904 2.250 3.615 0.255 12 0 "[ . 1 . 2]" 1
900 1 67 ASP H 1 67 ASP QB 2.720 . 2.720 2.478 2.226 2.936 0.216 3 0 "[ . 1 . 2]" 1
901 1 67 ASP H 1 67 ASP HB3 3.360 . 3.360 3.040 2.377 3.570 0.210 19 0 "[ . 1 . 2]" 1
902 1 67 ASP H 1 70 ALA MB 4.290 . 4.290 3.900 3.373 4.412 0.122 12 0 "[ . 1 . 2]" 1
903 1 67 ASP HA 1 68 VAL H 2.400 . 2.400 2.172 2.096 2.343 . 0 0 "[ . 1 . 2]" 1
904 1 67 ASP HA 1 68 VAL HA 5.000 . 5.000 4.437 4.368 4.623 . 0 0 "[ . 1 . 2]" 1
905 1 67 ASP HA 1 69 ASN H 3.410 . 3.410 3.475 3.193 3.701 0.291 8 0 "[ . 1 . 2]" 1
906 1 67 ASP HA 1 70 ALA H 4.600 . 4.600 4.693 4.606 4.790 0.190 18 0 "[ . 1 . 2]" 1
907 1 67 ASP QB 1 70 ALA MB 3.560 . 3.560 2.384 1.983 3.529 . 0 0 "[ . 1 . 2]" 1
908 1 67 ASP HB2 1 70 ALA MB 4.190 . 4.190 2.813 2.041 3.839 . 0 0 "[ . 1 . 2]" 1
909 1 67 ASP HB3 1 70 ALA MB 4.190 . 4.190 2.953 2.049 4.388 0.198 3 0 "[ . 1 . 2]" 1
910 1 68 VAL H 1 68 VAL HB 3.160 . 3.160 2.888 2.303 3.544 0.384 19 0 "[ . 1 . 2]" 1
911 1 68 VAL H 1 68 VAL QG 2.560 . 2.560 1.945 1.686 2.621 0.061 2 0 "[ . 1 . 2]" 1
912 1 68 VAL H 1 70 ALA H 4.220 . 4.220 4.144 3.749 4.423 0.203 10 0 "[ . 1 . 2]" 1
913 1 68 VAL HA 1 68 VAL MG1 3.670 . 3.670 2.461 2.173 3.203 . 0 0 "[ . 1 . 2]" 1
914 1 68 VAL HA 1 68 VAL MG2 3.670 . 3.670 2.625 2.215 3.204 . 0 0 "[ . 1 . 2]" 1
915 1 68 VAL HA 1 69 ASN HA 5.000 . 5.000 4.646 4.537 4.750 . 0 0 "[ . 1 . 2]" 1
916 1 68 VAL HA 1 70 ALA H 4.110 . 4.110 3.598 3.208 4.210 0.100 8 0 "[ . 1 . 2]" 1
917 1 68 VAL HA 1 94 LEU QD 4.950 . 4.950 3.149 2.234 4.918 . 0 0 "[ . 1 . 2]" 1
918 1 68 VAL HB 1 69 ASN H 3.810 . 3.810 3.531 2.792 4.033 0.223 7 0 "[ . 1 . 2]" 1
919 1 68 VAL HB 1 69 ASN QB 4.880 . 4.880 4.517 3.488 5.284 0.404 6 0 "[ . 1 . 2]" 1
920 1 68 VAL HB 1 94 LEU QD 4.410 . 4.410 3.628 2.054 4.459 0.049 20 0 "[ . 1 . 2]" 1
921 1 68 VAL QG 1 69 ASN H 3.990 . 3.990 2.838 1.996 3.584 . 0 0 "[ . 1 . 2]" 1
922 1 68 VAL QG 1 69 ASN HA 4.480 . 4.480 3.695 3.176 4.425 . 0 0 "[ . 1 . 2]" 1
923 1 68 VAL QG 1 69 ASN QB 4.830 . 4.830 3.476 2.341 4.644 . 0 0 "[ . 1 . 2]" 1
924 1 68 VAL QG 1 70 ALA H 4.530 . 4.530 4.150 3.824 4.675 0.145 8 0 "[ . 1 . 2]" 1
925 1 68 VAL QG 1 94 LEU HA 3.850 . 3.850 3.014 2.025 3.991 0.141 7 0 "[ . 1 . 2]" 1
926 1 68 VAL QG 1 94 LEU QD 2.900 . 2.900 2.014 1.772 2.671 . 0 0 "[ . 1 . 2]" 1
927 1 68 VAL QG 1 94 LEU HG 4.570 . 4.570 3.997 2.159 4.595 0.025 5 0 "[ . 1 . 2]" 1
928 1 68 VAL QG 1 95 ASP HA 4.960 . 4.960 4.852 3.202 5.575 0.615 20 1 "[ . 1 . +]" 1
929 1 68 VAL QG 1 97 LYS HA 4.320 . 4.320 4.002 2.654 4.416 0.096 10 0 "[ . 1 . 2]" 1
930 1 68 VAL QG 1 97 LYS QD 4.960 . 4.960 3.265 2.182 4.928 . 0 0 "[ . 1 . 2]" 1
931 1 68 VAL QG 1 97 LYS QG 3.780 . 3.780 2.497 1.903 3.827 0.047 17 0 "[ . 1 . 2]" 1
932 1 68 VAL MG1 1 97 LYS HA 4.990 . 4.990 4.775 2.852 5.219 0.229 20 0 "[ . 1 . 2]" 1
933 1 68 VAL MG2 1 97 LYS HA 4.990 . 4.990 4.436 2.664 4.960 . 0 0 "[ . 1 . 2]" 1
934 1 69 ASN H 1 69 ASN QB 2.710 . 2.710 2.566 2.181 2.922 0.212 8 0 "[ . 1 . 2]" 1
935 1 69 ASN H 1 70 ALA H 2.600 . 2.600 2.596 2.226 2.810 0.210 10 0 "[ . 1 . 2]" 1
936 1 69 ASN HA 1 70 ALA H 3.180 . 3.180 3.042 2.905 3.129 . 0 0 "[ . 1 . 2]" 1
937 1 69 ASN HA 1 71 ARG QG 4.880 . 4.880 4.055 3.298 5.202 0.322 8 0 "[ . 1 . 2]" 1
938 1 69 ASN HA 1 77 THR MG 4.110 . 4.110 2.927 2.306 4.123 0.013 12 0 "[ . 1 . 2]" 1
939 1 69 ASN HA 1 78 PRO QD 4.440 . 4.440 3.864 3.366 4.473 0.033 3 0 "[ . 1 . 2]" 1
940 1 69 ASN QB 1 70 ALA H 3.740 . 3.740 3.840 3.584 4.008 0.268 8 0 "[ . 1 . 2]" 1
941 1 69 ASN QB 1 70 ALA HA 4.880 . 4.880 4.526 4.161 4.980 0.100 10 0 "[ . 1 . 2]" 1
942 1 69 ASN QB 1 77 THR MG 4.880 . 4.880 4.197 3.738 5.076 0.196 12 0 "[ . 1 . 2]" 1
943 1 70 ALA H 1 70 ALA MB 2.470 . 2.470 2.234 2.080 2.362 . 0 0 "[ . 1 . 2]" 1
944 1 70 ALA H 1 71 ARG H 3.710 . 3.710 3.890 3.617 4.216 0.506 12 1 "[ . 1 + . 2]" 1
945 1 70 ALA H 1 77 THR HA 5.000 . 5.000 4.922 4.353 5.163 0.163 3 0 "[ . 1 . 2]" 1
946 1 70 ALA HA 1 71 ARG H 2.360 . 2.360 2.338 2.026 2.552 0.192 10 0 "[ . 1 . 2]" 1
947 1 70 ALA HA 1 71 ARG HA 5.000 . 5.000 4.524 4.341 4.625 . 0 0 "[ . 1 . 2]" 1
948 1 70 ALA HA 1 71 ARG QG 4.880 . 4.880 4.045 3.396 4.956 0.076 10 0 "[ . 1 . 2]" 1
949 1 70 ALA HA 1 77 THR MG 4.930 . 4.930 5.044 4.506 5.729 0.799 7 3 "[ . +- 1 * . 2]" 1
950 1 70 ALA MB 1 71 ARG HA 5.000 . 5.000 4.395 4.277 4.556 . 0 0 "[ . 1 . 2]" 1
951 1 70 ALA MB 1 77 THR HA 5.000 . 5.000 4.793 3.847 5.288 0.288 2 0 "[ . 1 . 2]" 1
952 1 71 ARG H 1 71 ARG QD 3.880 . 3.880 3.447 1.711 4.609 0.729 10 1 "[ . + . 2]" 1
953 1 71 ARG H 1 71 ARG QG 2.730 . 2.730 2.124 1.710 2.868 0.138 10 0 "[ . 1 . 2]" 1
954 1 71 ARG H 1 77 THR HA 5.000 . 5.000 4.498 3.747 4.938 . 0 0 "[ . 1 . 2]" 1
955 1 71 ARG HA 1 71 ARG QD 5.000 . 5.000 3.535 2.283 4.412 . 0 0 "[ . 1 . 2]" 1
956 1 71 ARG HA 1 71 ARG HG2 3.870 . 3.870 3.177 2.309 4.187 0.317 14 0 "[ . 1 . 2]" 1
957 1 71 ARG HA 1 71 ARG HG3 3.870 . 3.870 3.447 2.788 4.211 0.341 8 0 "[ . 1 . 2]" 1
958 1 71 ARG HA 1 72 SER H 2.480 . 2.480 2.210 2.073 2.383 . 0 0 "[ . 1 . 2]" 1
959 1 71 ARG HA 1 75 GLY H 5.000 . 5.000 5.107 4.917 5.280 0.280 20 0 "[ . 1 . 2]" 1
960 1 71 ARG HA 1 76 ASN H 4.460 . 4.460 4.075 3.095 4.523 0.063 18 0 "[ . 1 . 2]" 1
961 1 71 ARG HA 1 76 ASN HA 5.000 . 5.000 4.896 4.355 5.239 0.239 18 0 "[ . 1 . 2]" 1
962 1 71 ARG HA 1 77 THR HA 3.960 . 3.960 2.583 2.116 3.214 . 0 0 "[ . 1 . 2]" 1
963 1 71 ARG HA 1 77 THR MG 3.980 . 3.980 3.252 2.477 3.899 . 0 0 "[ . 1 . 2]" 1
964 1 71 ARG HA 1 78 PRO QD 5.000 . 5.000 3.542 2.758 4.433 . 0 0 "[ . 1 . 2]" 1
965 1 71 ARG QB 1 72 SER H 3.440 . 3.440 2.926 2.472 3.462 0.022 10 0 "[ . 1 . 2]" 1
966 1 71 ARG QB 1 75 GLY HA2 4.610 . 4.610 2.409 2.100 4.175 . 0 0 "[ . 1 . 2]" 1
967 1 71 ARG QB 1 75 GLY HA3 5.000 . 5.000 3.875 3.487 5.754 0.754 10 1 "[ . + . 2]" 1
968 1 71 ARG QB 1 77 THR HA 5.000 . 5.000 3.803 2.216 5.221 0.221 1 0 "[ . 1 . 2]" 1
969 1 71 ARG QB 1 77 THR MG 5.000 . 5.000 3.178 1.894 4.606 . 0 0 "[ . 1 . 2]" 1
970 1 71 ARG QD 1 75 GLY H 4.570 . 4.570 4.421 2.781 5.182 0.612 8 1 "[ . + 1 . 2]" 1
971 1 71 ARG QD 1 75 GLY HA2 3.880 . 3.880 2.718 2.280 3.522 . 0 0 "[ . 1 . 2]" 1
972 1 71 ARG QD 1 75 GLY HA3 4.220 . 4.220 3.820 2.856 4.563 0.343 8 0 "[ . 1 . 2]" 1
973 1 71 ARG QD 1 76 ASN H 4.600 . 4.600 4.443 3.535 4.878 0.278 12 0 "[ . 1 . 2]" 1
974 1 71 ARG QD 1 77 THR HA 5.000 . 5.000 4.761 3.387 5.357 0.357 3 0 "[ . 1 . 2]" 1
975 1 71 ARG QD 1 77 THR MG 3.700 . 3.700 3.333 2.011 4.113 0.413 20 0 "[ . 1 . 2]" 1
976 1 71 ARG QG 1 75 GLY HA2 4.880 . 4.880 3.694 2.155 4.769 . 0 0 "[ . 1 . 2]" 1
977 1 71 ARG QG 1 77 THR HA 4.880 . 4.880 3.864 2.810 5.142 0.262 3 0 "[ . 1 . 2]" 1
978 1 71 ARG QG 1 77 THR MG 3.350 . 3.350 2.546 1.902 3.703 0.353 8 0 "[ . 1 . 2]" 1
979 1 71 ARG HG2 1 77 THR MG 3.980 . 3.980 2.755 2.031 4.283 0.303 8 0 "[ . 1 . 2]" 1
980 1 72 SER H 1 72 SER HB2 3.370 . 3.370 2.918 2.214 3.577 0.207 9 0 "[ . 1 . 2]" 1
981 1 72 SER H 1 72 SER QB 2.830 . 2.830 2.532 2.075 2.913 0.083 19 0 "[ . 1 . 2]" 1
982 1 72 SER H 1 72 SER HB3 3.370 . 3.370 2.975 2.117 3.574 0.204 15 0 "[ . 1 . 2]" 1
983 1 72 SER H 1 73 LYS H 4.490 . 4.490 4.488 4.392 4.615 0.125 4 0 "[ . 1 . 2]" 1
984 1 72 SER H 1 74 ASP H 5.000 . 5.000 4.439 3.825 4.966 . 0 0 "[ . 1 . 2]" 1
985 1 72 SER H 1 75 GLY H 4.000 . 4.000 3.675 3.354 4.005 0.005 10 0 "[ . 1 . 2]" 1
986 1 72 SER H 1 75 GLY HA2 5.000 . 5.000 4.127 2.880 4.853 . 0 0 "[ . 1 . 2]" 1
987 1 72 SER H 1 76 ASN H 3.260 . 3.260 2.688 2.024 3.273 0.013 10 0 "[ . 1 . 2]" 1
988 1 72 SER H 1 76 ASN HB2 5.000 . 5.000 4.052 3.151 5.144 0.144 19 0 "[ . 1 . 2]" 1
989 1 72 SER H 1 76 ASN QB 4.320 . 4.320 3.642 3.020 4.488 0.168 9 0 "[ . 1 . 2]" 1
990 1 72 SER H 1 76 ASN HB3 5.000 . 5.000 4.459 3.122 5.122 0.122 11 0 "[ . 1 . 2]" 1
991 1 72 SER H 1 77 THR HA 3.810 . 3.810 3.917 3.430 4.217 0.407 18 0 "[ . 1 . 2]" 1
992 1 72 SER HA 1 73 LYS H 2.830 . 2.830 2.587 2.417 2.753 . 0 0 "[ . 1 . 2]" 1
993 1 72 SER HA 1 73 LYS HA 5.000 . 5.000 4.295 4.230 4.361 . 0 0 "[ . 1 . 2]" 1
994 1 72 SER HA 1 73 LYS QB 5.000 . 5.000 4.648 4.248 5.079 0.079 15 0 "[ . 1 . 2]" 1
995 1 72 SER HA 1 73 LYS QG 4.940 . 4.940 4.695 3.806 5.513 0.573 3 3 "[ +*. 1 .- 2]" 1
996 1 72 SER HA 1 74 ASP H 4.690 . 4.690 4.254 3.972 4.828 0.138 1 0 "[ . 1 . 2]" 1
997 1 72 SER QB 1 73 LYS H 2.700 . 2.700 2.387 1.769 2.923 0.223 10 0 "[ . 1 . 2]" 1
998 1 72 SER QB 1 73 LYS QG 4.880 . 4.880 4.388 3.738 5.398 0.518 20 1 "[ . 1 . +]" 1
999 1 72 SER QB 1 74 ASP H 3.430 . 3.430 2.541 2.197 3.332 . 0 0 "[ . 1 . 2]" 1
1000 1 72 SER QB 1 74 ASP QB 4.750 . 4.750 3.620 2.820 4.833 0.083 19 0 "[ . 1 . 2]" 1
1001 1 72 SER HB2 1 73 LYS H 3.150 . 3.150 2.903 1.775 3.488 0.338 8 0 "[ . 1 . 2]" 1
1002 1 72 SER HB3 1 73 LYS H 3.150 . 3.150 2.874 1.880 3.436 0.286 10 0 "[ . 1 . 2]" 1
1003 1 73 LYS H 1 73 LYS QB 2.660 . 2.660 2.395 1.969 2.981 0.321 10 0 "[ . 1 . 2]" 1
1004 1 73 LYS H 1 73 LYS QG 3.100 . 3.100 2.783 1.718 3.499 0.399 19 0 "[ . 1 . 2]" 1
1005 1 73 LYS H 1 74 ASP H 3.220 . 3.220 2.687 2.386 3.158 . 0 0 "[ . 1 . 2]" 1
1006 1 73 LYS H 1 75 GLY H 5.000 . 5.000 4.117 3.826 4.502 . 0 0 "[ . 1 . 2]" 1
1007 1 73 LYS HA 1 73 LYS QD 4.370 . 4.370 3.362 2.286 4.430 0.060 15 0 "[ . 1 . 2]" 1
1008 1 73 LYS HA 1 73 LYS QE 5.000 . 5.000 4.043 2.207 5.273 0.273 2 0 "[ . 1 . 2]" 1
1009 1 73 LYS HA 1 73 LYS QG 3.410 . 3.410 2.713 2.166 3.416 0.006 10 0 "[ . 1 . 2]" 1
1010 1 73 LYS HA 1 74 ASP HA 5.000 . 5.000 4.673 4.596 4.797 . 0 0 "[ . 1 . 2]" 1
1011 1 73 LYS HA 1 75 GLY H 3.710 . 3.710 3.811 3.650 3.952 0.242 1 0 "[ . 1 . 2]" 1
1012 1 73 LYS QB 1 74 ASP H 3.530 . 3.530 3.119 2.261 3.691 0.161 10 0 "[ . 1 . 2]" 1
1013 1 73 LYS QE 1 73 LYS QG 3.190 . 3.190 2.368 2.079 3.083 . 0 0 "[ . 1 . 2]" 1
1014 1 73 LYS QG 1 74 ASP H 4.500 . 4.500 3.840 2.332 4.757 0.257 12 0 "[ . 1 . 2]" 1
1015 1 74 ASP H 1 74 ASP HB2 3.620 . 3.620 2.866 2.365 3.651 0.031 13 0 "[ . 1 . 2]" 1
1016 1 74 ASP H 1 74 ASP HB3 3.620 . 3.620 3.087 2.494 3.653 0.033 9 0 "[ . 1 . 2]" 1
1017 1 74 ASP H 1 76 ASN H 4.310 . 4.310 3.566 3.125 4.054 . 0 0 "[ . 1 . 2]" 1
1018 1 74 ASP HA 1 75 GLY H 3.410 . 3.410 3.339 3.130 3.438 0.028 5 0 "[ . 1 . 2]" 1
1019 1 74 ASP QB 1 75 GLY H 4.010 . 4.010 3.490 3.018 3.884 . 0 0 "[ . 1 . 2]" 1
1020 1 74 ASP HB2 1 75 GLY H 4.660 . 4.660 3.954 3.116 4.452 . 0 0 "[ . 1 . 2]" 1
1021 1 74 ASP HB3 1 75 GLY H 4.660 . 4.660 4.068 3.117 4.481 . 0 0 "[ . 1 . 2]" 1
1022 1 75 GLY H 1 75 GLY HA2 2.620 . 2.620 2.337 2.313 2.381 . 0 0 "[ . 1 . 2]" 1
1023 1 75 GLY H 1 75 GLY HA3 2.800 . 2.800 2.904 2.868 2.946 0.146 3 0 "[ . 1 . 2]" 1
1024 1 75 GLY H 1 76 ASN H 2.810 . 2.810 2.372 2.158 2.585 . 0 0 "[ . 1 . 2]" 1
1025 1 75 GLY HA2 1 76 ASN H 3.380 . 3.380 2.993 2.719 3.215 . 0 0 "[ . 1 . 2]" 1
1026 1 75 GLY HA3 1 76 ASN H 3.480 . 3.480 3.464 3.343 3.577 0.097 4 0 "[ . 1 . 2]" 1
1027 1 75 GLY HA3 1 76 ASN HA 5.000 . 5.000 4.557 4.510 4.616 . 0 0 "[ . 1 . 2]" 1
1028 1 76 ASN H 1 76 ASN HB2 3.430 . 3.430 2.834 2.236 3.641 0.211 19 0 "[ . 1 . 2]" 1
1029 1 76 ASN H 1 76 ASN QB 2.690 . 2.690 2.531 2.213 3.057 0.367 12 0 "[ . 1 . 2]" 1
1030 1 76 ASN HA 1 77 THR H 2.550 . 2.550 2.188 2.075 2.317 . 0 0 "[ . 1 . 2]" 1
1031 1 76 ASN HA 1 77 THR MG 4.740 . 4.740 4.120 3.306 5.145 0.405 2 0 "[ . 1 . 2]" 1
1032 1 76 ASN HA 1 80 HIS HB2 5.000 . 5.000 3.470 2.657 4.528 . 0 0 "[ . 1 . 2]" 1
1033 1 76 ASN HA 1 80 HIS QB 4.270 . 4.270 3.115 2.465 3.696 . 0 0 "[ . 1 . 2]" 1
1034 1 76 ASN HA 1 80 HIS HB3 5.000 . 5.000 3.668 2.920 4.508 . 0 0 "[ . 1 . 2]" 1
1035 1 76 ASN HA 1 81 LEU QD 5.000 . 5.000 4.434 3.584 5.474 0.474 9 0 "[ . 1 . 2]" 1
1036 1 76 ASN QB 1 80 HIS QB 3.920 . 3.920 3.097 2.163 4.221 0.301 3 0 "[ . 1 . 2]" 1
1037 1 76 ASN QB 1 81 LEU H 4.880 . 4.880 4.383 3.045 5.342 0.462 3 0 "[ . 1 . 2]" 1
1038 1 76 ASN QB 1 81 LEU QD 3.810 . 3.810 2.695 1.992 3.832 0.022 9 0 "[ . 1 . 2]" 1
1039 1 76 ASN QB 1 81 LEU HG 4.650 . 4.650 4.058 2.862 5.090 0.440 7 0 "[ . 1 . 2]" 1
1040 1 76 ASN HB2 1 81 LEU QD 4.570 . 4.570 3.422 2.141 4.046 . 0 0 "[ . 1 . 2]" 1
1041 1 76 ASN HB3 1 77 THR H 3.840 . 3.840 3.758 2.995 4.134 0.294 2 0 "[ . 1 . 2]" 1
1042 1 76 ASN HB3 1 81 LEU QD 4.570 . 4.570 3.088 2.079 4.949 0.379 9 0 "[ . 1 . 2]" 1
1043 1 77 THR H 1 77 THR MG 3.050 . 3.050 2.840 1.667 3.847 0.797 10 2 "[ . + . -2]" 1
1044 1 77 THR H 1 79 GLU H 5.000 . 5.000 4.529 4.021 4.962 . 0 0 "[ . 1 . 2]" 1
1045 1 77 THR H 1 80 HIS H 3.580 . 3.580 3.359 3.073 3.792 0.212 5 0 "[ . 1 . 2]" 1
1046 1 77 THR H 1 80 HIS HB2 3.490 . 3.490 2.636 2.151 4.022 0.532 7 1 "[ . + 1 . 2]" 1
1047 1 77 THR H 1 80 HIS QB 3.010 . 3.010 2.310 2.134 2.588 . 0 0 "[ . 1 . 2]" 1
1048 1 77 THR H 1 80 HIS HB3 3.490 . 3.490 3.308 2.256 3.816 0.326 16 0 "[ . 1 . 2]" 1
1049 1 77 THR H 1 81 LEU QD 5.000 . 5.000 4.149 2.935 4.981 . 0 0 "[ . 1 . 2]" 1
1050 1 77 THR HA 1 77 THR MG 3.250 . 3.250 2.366 2.125 3.106 . 0 0 "[ . 1 . 2]" 1
1051 1 77 THR HA 1 78 PRO QD 3.690 . 3.690 2.137 2.085 2.215 . 0 0 "[ . 1 . 2]" 1
1052 1 77 THR HA 1 79 GLU H 4.210 . 4.210 4.026 3.692 4.279 0.069 9 0 "[ . 1 . 2]" 1
1053 1 77 THR HA 1 80 HIS H 5.000 . 5.000 4.519 4.341 4.646 . 0 0 "[ . 1 . 2]" 1
1054 1 77 THR HB 1 78 PRO QD 3.600 . 3.600 2.507 2.208 3.600 . 0 0 "[ . 1 . 2]" 1
1055 1 77 THR HB 1 78 PRO QG 4.480 . 4.480 4.006 3.369 4.643 0.163 2 0 "[ . 1 . 2]" 1
1056 1 77 THR HB 1 79 GLU H 3.130 . 3.130 2.797 2.279 3.855 0.725 20 3 "[ . -* 1 . +]" 1
1057 1 77 THR HB 1 79 GLU HB3 4.320 . 4.320 3.800 2.761 4.733 0.413 12 0 "[ . 1 . 2]" 1
1058 1 77 THR MG 1 78 PRO QD 4.040 . 4.040 2.714 2.011 3.709 . 0 0 "[ . 1 . 2]" 1
1059 1 78 PRO HA 1 80 HIS H 4.730 . 4.730 4.410 3.967 4.742 0.012 18 0 "[ . 1 . 2]" 1
1060 1 78 PRO HA 1 81 LEU HB2 4.480 . 4.480 3.693 2.309 5.293 0.813 15 3 "[- . 1 + *]" 1
1061 1 78 PRO HA 1 94 LEU HG 5.000 . 5.000 5.285 4.978 5.811 0.811 6 2 "[ - .+ 1 . 2]" 1
1062 1 78 PRO QB 1 94 LEU QD 3.020 . 3.020 2.222 1.981 3.012 . 0 0 "[ . 1 . 2]" 1
1063 1 78 PRO QB 1 94 LEU HG 4.960 . 4.960 2.958 2.336 3.557 . 0 0 "[ . 1 . 2]" 1
1064 1 78 PRO QG 1 94 LEU HG 4.530 . 4.530 4.065 2.655 4.760 0.230 3 0 "[ . 1 . 2]" 1
1065 1 79 GLU H 1 79 GLU HB2 2.790 . 2.790 2.590 1.990 3.470 0.680 5 4 "[ + -1 *. *]" 1
1066 1 79 GLU H 1 79 GLU HB3 2.610 . 2.610 2.593 2.044 3.317 0.707 16 2 "[ -. 1 .+ 2]" 1
1067 1 79 GLU H 1 80 HIS H 3.100 . 3.100 2.513 2.328 2.774 . 0 0 "[ . 1 . 2]" 1
1068 1 79 GLU H 1 80 HIS HA 5.000 . 5.000 5.106 5.006 5.226 0.226 16 0 "[ . 1 . 2]" 1
1069 1 79 GLU H 1 80 HIS QB 4.880 . 4.880 4.249 3.985 4.531 . 0 0 "[ . 1 . 2]" 1
1070 1 79 GLU H 1 82 ALA H 5.000 . 5.000 4.838 4.539 5.092 0.092 3 0 "[ . 1 . 2]" 1
1071 1 79 GLU HA 1 79 GLU HG2 3.950 . 3.950 3.062 2.274 3.723 . 0 0 "[ . 1 . 2]" 1
1072 1 79 GLU HA 1 79 GLU QG 3.430 . 3.430 2.594 2.153 3.379 . 0 0 "[ . 1 . 2]" 1
1073 1 79 GLU HA 1 79 GLU HG3 3.950 . 3.950 3.164 2.173 4.205 0.255 9 0 "[ . 1 . 2]" 1
1074 1 79 GLU HA 1 82 ALA H 3.300 . 3.300 3.379 3.128 3.707 0.407 1 0 "[ . 1 . 2]" 1
1075 1 79 GLU HA 1 82 ALA MB 3.590 . 3.590 2.592 2.150 2.880 . 0 0 "[ . 1 . 2]" 1
1076 1 79 GLU HA 1 91 VAL HA 4.940 . 4.940 3.778 3.177 4.179 . 0 0 "[ . 1 . 2]" 1
1077 1 79 GLU HA 1 91 VAL MG2 4.270 . 4.270 3.677 2.894 4.353 0.083 8 0 "[ . 1 . 2]" 1
1078 1 79 GLU HA 1 94 LEU QD 4.650 . 4.650 3.026 1.916 3.934 . 0 0 "[ . 1 . 2]" 1
1079 1 79 GLU HA 1 94 LEU HG 3.430 . 3.430 3.002 2.284 4.049 0.619 13 1 "[ . 1 + . 2]" 1
1080 1 79 GLU HB2 1 94 LEU QD 4.590 . 4.590 2.729 1.944 4.004 . 0 0 "[ . 1 . 2]" 1
1081 1 79 GLU HB2 1 94 LEU HG 3.940 . 3.940 3.241 2.182 4.256 0.316 16 0 "[ . 1 . 2]" 1
1082 1 79 GLU HB3 1 80 HIS H 3.010 . 3.010 2.930 2.445 3.728 0.718 5 4 "[ + *1 -. *]" 1
1083 1 79 GLU HB3 1 91 VAL MG1 5.000 . 5.000 4.886 4.061 5.493 0.493 18 0 "[ . 1 . 2]" 1
1084 1 79 GLU HB3 1 94 LEU HG 5.000 . 5.000 4.342 1.960 5.583 0.583 7 1 "[ . + 1 . 2]" 1
1085 1 79 GLU QG 1 80 HIS HA 4.880 . 4.880 4.233 3.066 5.578 0.698 16 1 "[ . 1 .+ 2]" 1
1086 1 79 GLU QG 1 83 LYS H 4.210 . 4.210 3.972 3.473 4.644 0.434 16 0 "[ . 1 . 2]" 1
1087 1 79 GLU QG 1 83 LYS QG 4.750 . 4.750 3.907 2.294 5.226 0.476 8 0 "[ . 1 . 2]" 1
1088 1 79 GLU QG 1 91 VAL HA 4.020 . 4.020 3.313 2.262 4.412 0.392 20 0 "[ . 1 . 2]" 1
1089 1 79 GLU QG 1 91 VAL MG2 4.040 . 4.040 3.270 2.460 4.194 0.154 16 0 "[ . 1 . 2]" 1
1090 1 79 GLU QG 1 94 LEU QB 3.570 . 3.570 3.018 2.099 3.995 0.425 20 0 "[ . 1 . 2]" 1
1091 1 79 GLU QG 1 94 LEU QD 4.030 . 4.030 3.277 2.329 3.958 . 0 0 "[ . 1 . 2]" 1
1092 1 79 GLU QG 1 94 LEU HG 4.450 . 4.450 3.854 2.263 4.755 0.305 7 0 "[ . 1 . 2]" 1
1093 1 79 GLU HG2 1 91 VAL HA 4.780 . 4.780 3.944 2.327 5.254 0.474 14 0 "[ . 1 . 2]" 1
1094 1 79 GLU HG2 1 91 VAL MG1 3.960 . 3.960 3.235 2.272 4.383 0.423 14 0 "[ . 1 . 2]" 1
1095 1 79 GLU HG3 1 91 VAL HA 4.780 . 4.780 3.838 2.325 5.063 0.283 20 0 "[ . 1 . 2]" 1
1096 1 79 GLU HG3 1 91 VAL MG1 3.960 . 3.960 3.197 2.304 4.099 0.139 16 0 "[ . 1 . 2]" 1
1097 1 80 HIS H 1 80 HIS HB2 3.000 . 3.000 2.446 2.115 3.391 0.391 9 0 "[ . 1 . 2]" 1
1098 1 80 HIS H 1 80 HIS QB 2.580 . 2.580 2.151 2.015 2.474 . 0 0 "[ . 1 . 2]" 1
1099 1 80 HIS H 1 82 ALA H 4.430 . 4.430 3.910 3.603 4.251 . 0 0 "[ . 1 . 2]" 1
1100 1 80 HIS H 1 83 LYS H 5.000 . 5.000 4.724 4.334 5.337 0.337 8 0 "[ . 1 . 2]" 1
1101 1 80 HIS H 1 84 LYS QE 5.000 . 5.000 5.530 4.845 6.248 1.248 14 10 "[*** *-* *1 **+. 2]" 1
1102 1 80 HIS HA 1 81 LEU HA 5.000 . 5.000 4.780 4.673 4.912 . 0 0 "[ . 1 . 2]" 1
1103 1 80 HIS HA 1 82 ALA MB 5.000 . 5.000 4.947 4.650 5.240 0.240 4 0 "[ . 1 . 2]" 1
1104 1 80 HIS HA 1 83 LYS H 3.970 . 3.970 3.559 3.160 4.057 0.087 12 0 "[ . 1 . 2]" 1
1105 1 80 HIS HA 1 83 LYS QB 3.640 . 3.640 3.256 2.475 4.497 0.857 8 4 "[ - * + 1 * 2]" 1
1106 1 80 HIS HA 1 83 LYS QD 4.500 . 4.500 3.592 1.945 5.027 0.527 4 1 "[ +. 1 . 2]" 1
1107 1 80 HIS HA 1 83 LYS QG 4.880 . 4.880 4.082 2.212 5.122 0.242 16 0 "[ . 1 . 2]" 1
1108 1 80 HIS HA 1 84 LYS H 4.080 . 4.080 3.662 2.171 4.386 0.306 8 0 "[ . 1 . 2]" 1
1109 1 80 HIS HA 1 84 LYS QE 5.000 . 5.000 3.864 2.687 4.951 . 0 0 "[ . 1 . 2]" 1
1110 1 80 HIS HA 1 84 LYS QG 5.000 . 5.000 4.013 2.644 5.773 0.773 3 1 "[ + . 1 . 2]" 1
1111 1 80 HIS QB 1 82 ALA H 4.880 . 4.880 4.491 3.939 5.112 0.232 3 0 "[ . 1 . 2]" 1
1112 1 80 HIS QB 1 84 LYS QE 4.850 . 4.850 3.381 2.240 4.879 0.029 12 0 "[ . 1 . 2]" 1
1113 1 80 HIS HB2 1 81 LEU H 3.450 . 3.450 3.216 1.955 4.316 0.866 3 3 "[ + . - 1 * . 2]" 1
1114 1 80 HIS HB2 1 81 LEU QD 5.000 . 5.000 3.682 2.438 5.154 0.154 12 0 "[ . 1 . 2]" 1
1115 1 80 HIS HB3 1 81 LEU H 3.450 . 3.450 3.096 1.930 3.856 0.406 2 0 "[ . 1 . 2]" 1
1116 1 80 HIS HB3 1 81 LEU QD 5.000 . 5.000 3.466 2.047 4.988 . 0 0 "[ . 1 . 2]" 1
1117 1 81 LEU H 1 81 LEU QD 3.390 . 3.390 2.294 1.493 3.441 0.051 12 0 "[ . 1 . 2]" 1
1118 1 81 LEU H 1 81 LEU HG 5.000 . 5.000 2.898 1.644 4.169 . 0 0 "[ . 1 . 2]" 1
1119 1 81 LEU H 1 82 ALA H 2.850 . 2.850 2.554 2.216 2.901 0.051 16 0 "[ . 1 . 2]" 1
1120 1 81 LEU H 1 82 ALA MB 4.500 . 4.500 4.232 3.869 4.621 0.121 18 0 "[ . 1 . 2]" 1
1121 1 81 LEU H 1 83 LYS H 4.150 . 4.150 4.382 3.791 4.827 0.677 16 3 "[ . 1 *-+ 2]" 1
1122 1 81 LEU HA 1 81 LEU QD 2.940 . 2.940 2.585 1.991 3.244 0.304 1 0 "[ . 1 . 2]" 1
1123 1 81 LEU HB2 1 82 ALA H 2.980 . 2.980 3.190 2.762 3.739 0.759 1 6 "[+ . - 1 ** **]" 1
1124 1 82 ALA H 1 82 ALA MB 2.580 . 2.580 2.224 2.061 2.321 . 0 0 "[ . 1 . 2]" 1
1125 1 82 ALA H 1 83 LYS H 2.960 . 2.960 2.486 2.304 2.892 . 0 0 "[ . 1 . 2]" 1
1126 1 82 ALA HA 1 83 LYS HA 5.000 . 5.000 4.780 4.573 4.927 . 0 0 "[ . 1 . 2]" 1
1127 1 82 ALA HA 1 85 ASN HB2 5.000 . 5.000 3.559 2.315 5.021 0.021 8 0 "[ . 1 . 2]" 1
1128 1 82 ALA HA 1 85 ASN HB3 5.000 . 5.000 3.384 2.336 5.384 0.384 6 0 "[ . 1 . 2]" 1
1129 1 82 ALA HA 1 87 HIS QB . . 3.780 2.491 2.216 3.684 . 0 0 "[ . 1 . 2]" 1
1130 1 82 ALA HA 1 90 ILE HB 5.000 . 5.000 4.288 3.872 4.749 . 0 0 "[ . 1 . 2]" 1
1131 1 82 ALA HA 1 90 ILE MD 5.000 . 5.000 4.268 3.367 5.019 0.019 15 0 "[ . 1 . 2]" 1
1132 1 82 ALA HA 1 90 ILE MG 5.000 . 5.000 4.203 3.799 4.768 . 0 0 "[ . 1 . 2]" 1
1133 1 82 ALA MB 1 83 LYS H 2.750 . 2.750 2.495 2.147 2.744 . 0 0 "[ . 1 . 2]" 1
1134 1 82 ALA MB 1 87 HIS HA 4.750 . 4.750 4.686 4.426 4.887 0.137 7 0 "[ . 1 . 2]" 1
1135 1 82 ALA MB 1 87 HIS QB 3.860 . 3.860 2.293 2.041 3.033 . 0 0 "[ . 1 . 2]" 1
1136 1 82 ALA MB 1 90 ILE H 3.690 . 3.690 3.760 3.044 3.995 0.305 10 0 "[ . 1 . 2]" 1
1137 1 82 ALA MB 1 90 ILE HB 3.600 . 3.600 2.249 1.982 2.508 . 0 0 "[ . 1 . 2]" 1
1138 1 82 ALA MB 1 90 ILE MD 3.350 . 3.350 3.094 2.276 3.824 0.474 10 0 "[ . 1 . 2]" 1
1139 1 82 ALA MB 1 91 VAL H 3.500 . 3.500 2.921 2.241 3.812 0.312 16 0 "[ . 1 . 2]" 1
1140 1 82 ALA MB 1 91 VAL HA 3.850 . 3.850 3.473 2.719 3.979 0.129 12 0 "[ . 1 . 2]" 1
1141 1 82 ALA MB 1 91 VAL HB 5.000 . 5.000 4.475 4.043 5.078 0.078 16 0 "[ . 1 . 2]" 1
1142 1 82 ALA MB 1 91 VAL MG2 3.050 . 3.050 2.177 1.846 2.739 . 0 0 "[ . 1 . 2]" 1
1143 1 83 LYS H 1 83 LYS HA 2.890 . 2.890 2.809 2.696 2.890 . 0 0 "[ . 1 . 2]" 1
1144 1 83 LYS H 1 83 LYS QB 2.470 . 2.470 2.328 2.083 2.971 0.501 15 1 "[ . 1 + 2]" 1
1145 1 83 LYS H 1 83 LYS QD 4.690 . 4.690 3.636 2.268 4.763 0.073 11 0 "[ . 1 . 2]" 1
1146 1 83 LYS H 1 84 LYS H 2.780 . 2.780 2.877 2.534 3.209 0.429 12 0 "[ . 1 . 2]" 1
1147 1 83 LYS H 1 85 ASN H 4.200 . 4.200 3.919 3.674 4.755 0.555 6 1 "[ .+ 1 . 2]" 1
1148 1 83 LYS H 1 91 VAL MG2 3.070 . 3.070 2.917 2.419 3.246 0.176 17 0 "[ . 1 . 2]" 1
1149 1 83 LYS HA 1 83 LYS QD 4.380 . 4.380 3.766 2.220 4.612 0.232 8 0 "[ . 1 . 2]" 1
1150 1 83 LYS HA 1 83 LYS QE 5.000 . 5.000 3.870 2.118 4.844 . 0 0 "[ . 1 . 2]" 1
1151 1 83 LYS HA 1 83 LYS HG2 4.230 . 4.230 3.160 2.274 4.181 . 0 0 "[ . 1 . 2]" 1
1152 1 83 LYS HA 1 83 LYS QG 3.490 . 3.490 2.603 2.146 3.383 . 0 0 "[ . 1 . 2]" 1
1153 1 83 LYS HA 1 83 LYS HG3 4.230 . 4.230 3.021 2.167 4.238 0.008 15 0 "[ . 1 . 2]" 1
1154 1 83 LYS HA 1 85 ASN H 4.560 . 4.560 3.724 3.316 4.355 . 0 0 "[ . 1 . 2]" 1
1155 1 83 LYS HA 1 91 VAL HB 5.000 . 5.000 4.892 4.320 5.416 0.416 20 0 "[ . 1 . 2]" 1
1156 1 83 LYS HA 1 91 VAL MG2 3.410 . 3.410 2.361 1.974 2.972 . 0 0 "[ . 1 . 2]" 1
1157 1 83 LYS QB 1 83 LYS QD 3.080 . 3.080 2.333 2.122 2.677 . 0 0 "[ . 1 . 2]" 1
1158 1 83 LYS QB 1 91 VAL MG1 4.430 . 4.430 3.598 2.207 4.683 0.253 10 0 "[ . 1 . 2]" 1
1159 1 83 LYS QB 1 91 VAL MG2 3.500 . 3.500 2.872 1.973 3.824 0.324 10 0 "[ . 1 . 2]" 1
1160 1 83 LYS QD 1 91 VAL MG1 4.690 . 4.690 3.322 1.999 4.732 0.042 3 0 "[ . 1 . 2]" 1
1161 1 83 LYS QD 1 91 VAL MG2 4.250 . 4.250 3.368 1.906 4.576 0.326 3 0 "[ . 1 . 2]" 1
1162 1 83 LYS QE 1 91 VAL HA 5.000 . 5.000 4.922 3.225 5.732 0.732 8 4 "[ - . + 1 .** 2]" 1
1163 1 83 LYS QE 1 91 VAL MG1 3.890 . 3.890 2.856 1.923 4.402 0.512 3 1 "[ + . 1 . 2]" 1
1164 1 83 LYS QE 1 91 VAL MG2 3.820 . 3.820 3.185 1.868 3.953 0.133 16 0 "[ . 1 . 2]" 1
1165 1 83 LYS QG 1 86 GLY H 4.880 . 4.880 4.884 4.142 5.565 0.685 3 2 "[ + . - . 2]" 1
1166 1 83 LYS HG2 1 91 VAL MG2 4.060 . 4.060 3.622 2.046 4.475 0.415 4 0 "[ . 1 . 2]" 1
1167 1 83 LYS HG3 1 91 VAL MG2 4.060 . 4.060 3.179 2.073 4.866 0.806 5 1 "[ + 1 . 2]" 1
1168 1 84 LYS H 1 84 LYS HA 2.820 . 2.820 2.789 2.708 2.858 0.038 12 0 "[ . 1 . 2]" 1
1169 1 84 LYS H 1 84 LYS QB 2.370 . 2.370 2.479 1.814 2.939 0.569 15 4 "[* . 1 - + * 2]" 1
1170 1 84 LYS H 1 84 LYS QD 4.590 . 4.590 3.467 1.715 4.496 . 0 0 "[ . 1 . 2]" 1
1171 1 84 LYS H 1 84 LYS QG 4.030 . 4.030 2.430 1.528 4.044 0.014 16 0 "[ . 1 . 2]" 1
1172 1 84 LYS H 1 85 ASN H 2.800 . 2.800 2.734 2.615 2.964 0.164 18 0 "[ . 1 . 2]" 1
1173 1 84 LYS HA 1 84 LYS QE 5.000 . 5.000 4.478 3.165 5.465 0.465 2 0 "[ . 1 . 2]" 1
1174 1 84 LYS HA 1 84 LYS QG 3.520 . 3.520 2.903 2.207 3.502 . 0 0 "[ . 1 . 2]" 1
1175 1 84 LYS HA 1 85 ASN H 3.370 . 3.370 3.360 3.177 3.596 0.226 6 0 "[ . 1 . 2]" 1
1176 1 84 LYS HA 1 86 GLY H 4.170 . 4.170 3.590 3.186 4.334 0.164 6 0 "[ . 1 . 2]" 1
1177 1 84 LYS QB 1 85 ASN H 2.950 . 2.950 3.375 2.556 3.801 0.851 1 9 "[+* * * -* ** * 2]" 1
1178 1 84 LYS QB 1 85 ASN HA 5.000 . 5.000 4.348 3.989 5.011 0.011 14 0 "[ . 1 . 2]" 1
1179 1 84 LYS QG 1 85 ASN H 4.700 . 4.700 3.746 2.515 4.829 0.129 3 0 "[ . 1 . 2]" 1
1180 1 85 ASN H 1 85 ASN HA 2.800 . 2.800 2.936 2.902 2.984 0.184 6 0 "[ . 1 . 2]" 1
1181 1 85 ASN H 1 85 ASN HB2 3.000 . 3.000 2.691 2.098 3.650 0.650 10 2 "[ - . + . 2]" 1
1182 1 85 ASN H 1 85 ASN HB3 2.700 . 2.700 2.904 2.191 3.439 0.739 14 8 "[ * *.* 1 +* - **]" 1
1183 1 85 ASN H 1 86 GLY H 2.830 . 2.830 2.229 1.953 2.611 . 0 0 "[ . 1 . 2]" 1
1184 1 85 ASN H 1 86 GLY HA2 4.310 . 4.310 4.373 4.162 4.661 0.351 6 0 "[ . 1 . 2]" 1
1185 1 85 ASN H 1 87 HIS QB 4.010 . 4.010 4.214 3.998 4.889 0.879 6 2 "[ - .+ 1 . 2]" 1
1186 1 85 ASN HA 1 86 GLY H 3.230 . 3.230 3.170 2.990 3.282 0.052 1 0 "[ . 1 . 2]" 1
1187 1 85 ASN HA 1 86 GLY HA2 4.830 . 4.830 5.039 4.878 5.130 0.300 15 0 "[ . 1 . 2]" 1
1188 1 85 ASN HB3 1 86 GLY H 3.820 . 3.820 3.879 3.487 4.185 0.365 6 0 "[ . 1 . 2]" 1
1189 1 85 ASN HB3 1 87 HIS H 4.230 . 4.230 3.667 2.849 4.587 0.357 10 0 "[ . 1 . 2]" 1
1190 1 86 GLY H 1 86 GLY HA2 2.590 . 2.590 2.280 2.265 2.296 . 0 0 "[ . 1 . 2]" 1
1191 1 86 GLY H 1 86 GLY HA3 2.780 . 2.780 2.802 2.746 2.883 0.103 1 0 "[ . 1 . 2]" 1
1192 1 86 GLY H 1 87 HIS H 2.780 . 2.780 2.698 2.478 2.875 0.095 16 0 "[ . 1 . 2]" 1
1193 1 86 GLY H 1 91 VAL MG2 4.830 . 4.830 4.873 4.464 5.303 0.473 10 0 "[ . 1 . 2]" 1
1194 1 86 GLY HA2 1 88 HIS H 5.000 . 5.000 4.080 3.400 5.072 0.072 10 0 "[ . 1 . 2]" 1
1195 1 86 GLY HA3 1 87 HIS HA 5.000 . 5.000 4.568 4.488 4.619 . 0 0 "[ . 1 . 2]" 1
1196 1 87 HIS H 1 87 HIS QB 3.260 . 3.260 2.313 2.159 3.115 . 0 0 "[ . 1 . 2]" 1
1197 1 87 HIS H 1 88 HIS H 4.320 . 4.320 3.582 2.930 4.217 . 0 0 "[ . 1 . 2]" 1
1198 1 87 HIS H 1 91 VAL MG2 3.630 . 3.630 3.556 3.161 3.766 0.136 11 0 "[ . 1 . 2]" 1
1199 1 87 HIS HA 1 88 HIS H 2.830 . 2.830 2.446 2.082 2.735 . 0 0 "[ . 1 . 2]" 1
1200 1 87 HIS HA 1 88 HIS HA 4.960 . 4.960 4.612 4.378 4.788 . 0 0 "[ . 1 . 2]" 1
1201 1 87 HIS HA 1 89 GLU H 4.970 . 4.970 3.231 2.867 3.580 . 0 0 "[ . 1 . 2]" 1
1202 1 87 HIS HA 1 89 GLU QB 5.000 . 5.000 4.353 3.741 5.421 0.421 1 0 "[ . 1 . 2]" 1
1203 1 87 HIS HA 1 90 ILE H 4.310 . 4.310 4.252 4.029 4.657 0.347 1 0 "[ . 1 . 2]" 1
1204 1 87 HIS HA 1 90 ILE HB 5.000 . 5.000 5.016 4.650 5.234 0.234 1 0 "[ . 1 . 2]" 1
1205 1 87 HIS HA 1 90 ILE MD 4.860 . 4.860 4.571 3.877 5.332 0.472 5 0 "[ . 1 . 2]" 1
1206 1 87 HIS HA 1 91 VAL H 5.000 . 5.000 5.245 5.016 5.405 0.405 11 0 "[ . 1 . 2]" 1
1207 1 87 HIS QB 1 89 GLU H 4.460 . 4.460 3.946 3.382 4.390 . 0 0 "[ . 1 . 2]" 1
1208 1 87 HIS QB 1 90 ILE H 3.520 . 3.520 3.058 2.670 3.501 . 0 0 "[ . 1 . 2]" 1
1209 1 87 HIS QB 1 90 ILE HB 4.260 . 4.260 2.597 2.258 2.973 . 0 0 "[ . 1 . 2]" 1
1210 1 87 HIS QB 1 90 ILE MD 4.030 . 4.030 2.718 2.008 3.648 . 0 0 "[ . 1 . 2]" 1
1211 1 87 HIS QB 1 91 VAL MG2 4.190 . 4.190 3.262 2.888 3.829 . 0 0 "[ . 1 . 2]" 1
1212 1 88 HIS H 1 88 HIS QB 2.940 . 2.940 2.512 2.100 2.751 . 0 0 "[ . 1 . 2]" 1
1213 1 88 HIS H 1 89 GLU H 4.280 . 4.280 2.735 2.253 2.971 . 0 0 "[ . 1 . 2]" 1
1214 1 88 HIS H 1 89 GLU QB 4.950 . 4.950 4.690 3.971 5.280 0.330 8 0 "[ . 1 . 2]" 1
1215 1 88 HIS H 1 91 VAL HB 5.000 . 5.000 5.023 4.826 5.318 0.318 7 0 "[ . 1 . 2]" 1
1216 1 88 HIS H 1 91 VAL MG2 4.790 . 4.790 3.964 3.376 4.687 . 0 0 "[ . 1 . 2]" 1
1217 1 88 HIS HA 1 91 VAL HB 3.340 . 3.340 2.459 2.251 2.835 . 0 0 "[ . 1 . 2]" 1
1218 1 88 HIS HA 1 91 VAL MG2 3.330 . 3.330 2.629 2.054 3.351 0.021 4 0 "[ . 1 . 2]" 1
1219 1 88 HIS QB 1 91 VAL HB 4.880 . 4.880 4.056 3.520 4.516 . 0 0 "[ . 1 . 2]" 1
1220 1 88 HIS HB3 1 91 VAL MG2 5.000 . 5.000 4.595 3.878 5.250 0.250 18 0 "[ . 1 . 2]" 1
1221 1 89 GLU H 1 89 GLU QB 3.490 . 3.490 2.401 2.097 2.972 . 0 0 "[ . 1 . 2]" 1
1222 1 89 GLU H 1 90 ILE H 3.420 . 3.420 2.763 2.390 3.189 . 0 0 "[ . 1 . 2]" 1
1223 1 89 GLU H 1 91 VAL H 4.810 . 4.810 4.243 3.667 4.723 . 0 0 "[ . 1 . 2]" 1
1224 1 89 GLU H 1 92 LYS H 5.000 . 5.000 4.994 4.627 5.290 0.290 11 0 "[ . 1 . 2]" 1
1225 1 89 GLU HA 1 92 LYS QE 4.900 . 4.900 3.712 2.246 5.069 0.169 4 0 "[ . 1 . 2]" 1
1226 1 89 GLU QG 1 92 LYS QE 5.000 . 5.000 4.843 2.961 5.546 0.546 19 1 "[ . 1 . +2]" 1
1227 1 90 ILE H 1 90 ILE HB 2.580 . 2.580 2.302 2.112 2.532 . 0 0 "[ . 1 . 2]" 1
1228 1 90 ILE H 1 90 ILE MD 3.480 . 3.480 2.933 2.151 3.819 0.339 16 0 "[ . 1 . 2]" 1
1229 1 90 ILE H 1 90 ILE QG 3.020 . 3.020 3.068 2.177 3.586 0.566 3 2 "[ + . 1- . 2]" 1
1230 1 90 ILE H 1 91 VAL H 2.790 . 2.790 2.400 1.856 2.850 0.060 1 0 "[ . 1 . 2]" 1
1231 1 90 ILE HA 1 90 ILE MD 3.840 . 3.840 3.233 2.176 3.793 . 0 0 "[ . 1 . 2]" 1
1232 1 90 ILE HA 1 90 ILE MG 3.140 . 3.140 2.529 2.258 2.736 . 0 0 "[ . 1 . 2]" 1
1233 1 90 ILE HA 1 92 LYS H 4.140 . 4.140 4.207 3.596 4.478 0.338 17 0 "[ . 1 . 2]" 1
1234 1 90 ILE HA 1 93 LEU H 3.260 . 3.260 3.301 3.006 3.614 0.354 11 0 "[ . 1 . 2]" 1
1235 1 90 ILE HA 1 93 LEU HB2 4.300 . 4.300 3.400 2.229 4.818 0.518 17 2 "[ . 1 .-+ 2]" 1
1236 1 90 ILE HA 1 93 LEU MD2 5.000 . 5.000 3.640 2.138 4.990 . 0 0 "[ . 1 . 2]" 1
1237 1 90 ILE HA 1 93 LEU HG 3.520 . 3.520 2.923 2.217 3.598 0.078 4 0 "[ . 1 . 2]" 1
1238 1 90 ILE HA 1 94 LEU H 4.410 . 4.410 4.286 3.795 5.054 0.644 20 1 "[ . 1 . +]" 1
1239 1 90 ILE HB 1 90 ILE MD 3.560 . 3.560 2.348 2.143 3.181 . 0 0 "[ . 1 . 2]" 1
1240 1 90 ILE HB 1 91 VAL H 3.150 . 3.150 2.555 1.849 3.177 0.027 16 0 "[ . 1 . 2]" 1
1241 1 90 ILE MD 1 90 ILE MG 2.860 . 2.860 2.590 1.790 3.084 0.224 17 0 "[ . 1 . 2]" 1
1242 1 90 ILE MD 1 91 VAL H 4.130 . 4.130 4.272 3.964 4.890 0.760 16 1 "[ . 1 .+ 2]" 1
1243 1 90 ILE MD 1 91 VAL MG2 4.970 . 4.970 4.694 4.395 5.062 0.092 15 0 "[ . 1 . 2]" 1
1244 1 90 ILE MG 1 91 VAL MG2 3.170 . 3.170 3.316 2.835 3.543 0.373 5 0 "[ . 1 . 2]" 1
1245 1 91 VAL H 1 91 VAL HB 2.700 . 2.700 2.659 2.453 2.898 0.198 3 0 "[ . 1 . 2]" 1
1246 1 91 VAL H 1 91 VAL MG2 2.590 . 2.590 1.886 1.618 2.300 . 0 0 "[ . 1 . 2]" 1
1247 1 91 VAL H 1 92 LYS H 2.890 . 2.890 2.897 2.443 3.071 0.181 1 0 "[ . 1 . 2]" 1
1248 1 91 VAL H 1 92 LYS QB 4.740 . 4.740 4.825 4.363 5.327 0.587 11 1 "[ . 1+ . 2]" 1
1249 1 91 VAL HA 1 91 VAL MG1 2.980 . 2.980 2.312 2.250 2.475 . 0 0 "[ . 1 . 2]" 1
1250 1 91 VAL HA 1 91 VAL MG2 3.320 . 3.320 2.403 2.280 2.537 . 0 0 "[ . 1 . 2]" 1
1251 1 91 VAL HA 1 93 LEU H 4.430 . 4.430 4.356 3.887 4.612 0.182 11 0 "[ . 1 . 2]" 1
1252 1 91 VAL HA 1 94 LEU H 3.810 . 3.810 3.515 3.218 3.787 . 0 0 "[ . 1 . 2]" 1
1253 1 91 VAL HA 1 94 LEU QB . . 3.740 2.554 2.254 4.239 0.499 20 0 "[ . 1 . 2]" 1
1254 1 91 VAL HA 1 94 LEU HG 4.040 . 4.040 3.993 3.035 4.690 0.650 13 2 "[ . 1 + - 2]" 1
1255 1 91 VAL HA 1 95 ASP H 4.530 . 4.530 4.024 3.352 4.532 0.002 20 0 "[ . 1 . 2]" 1
1256 1 91 VAL HB 1 92 LYS H 2.800 . 2.800 2.551 2.240 2.974 0.174 20 0 "[ . 1 . 2]" 1
1257 1 91 VAL HB 1 92 LYS QB 4.700 . 4.700 4.162 3.630 4.694 . 0 0 "[ . 1 . 2]" 1
1258 1 91 VAL HB 1 93 LEU H 4.860 . 4.860 4.998 4.827 5.181 0.321 11 0 "[ . 1 . 2]" 1
1259 1 91 VAL MG1 1 92 LYS HA 4.070 . 4.070 3.552 3.174 3.990 . 0 0 "[ . 1 . 2]" 1
1260 1 91 VAL MG1 1 95 ASP HA 5.000 . 5.000 4.902 4.191 5.467 0.467 7 0 "[ . 1 . 2]" 1
1261 1 91 VAL MG1 1 95 ASP QB 4.530 . 4.530 3.293 2.276 4.028 . 0 0 "[ . 1 . 2]" 1
1262 1 92 LYS H 1 92 LYS HA 2.740 . 2.740 2.800 2.708 2.870 0.130 3 0 "[ . 1 . 2]" 1
1263 1 92 LYS H 1 92 LYS QB 2.510 . 2.510 2.321 2.037 2.695 0.185 11 0 "[ . 1 . 2]" 1
1264 1 92 LYS H 1 92 LYS QE 5.000 . 5.000 4.251 2.106 5.628 0.628 10 1 "[ . + . 2]" 1
1265 1 92 LYS H 1 94 LEU H 4.080 . 4.080 4.128 3.653 4.568 0.488 12 0 "[ . 1 . 2]" 1
1266 1 92 LYS H 1 94 LEU QB 5.000 . 5.000 4.817 4.460 6.140 1.140 20 1 "[ . 1 . +]" 1
1267 1 92 LYS H 1 95 ASP H 5.000 . 5.000 4.788 4.605 5.091 0.091 7 0 "[ . 1 . 2]" 1
1268 1 92 LYS H 1 95 ASP QB 5.000 . 5.000 4.800 4.410 5.142 0.142 7 0 "[ . 1 . 2]" 1
1269 1 92 LYS HA 1 92 LYS QG 3.740 . 3.740 2.832 2.167 3.438 . 0 0 "[ . 1 . 2]" 1
1270 1 92 LYS HA 1 93 LEU MD2 5.000 . 5.000 4.650 3.876 5.348 0.348 13 0 "[ . 1 . 2]" 1
1271 1 92 LYS HA 1 95 ASP QB 3.640 . 3.640 2.853 2.228 3.716 0.076 14 0 "[ . 1 . 2]" 1
1272 1 92 LYS QB 1 92 LYS QE 3.780 . 3.780 2.961 2.077 3.816 0.036 20 0 "[ . 1 . 2]" 1
1273 1 92 LYS QB 1 93 LEU MD2 3.200 . 3.200 3.193 2.121 4.132 0.932 18 5 "[ * . - 1 * . *+ 2]" 1
1274 1 93 LEU H 1 93 LEU HA 2.810 . 2.810 2.878 2.816 2.943 0.133 18 0 "[ . 1 . 2]" 1
1275 1 93 LEU H 1 93 LEU QB 3.060 . 3.060 2.568 2.097 3.037 . 0 0 "[ . 1 . 2]" 1
1276 1 93 LEU H 1 93 LEU HG 3.000 . 3.000 2.433 1.549 3.624 0.624 3 4 "[ +*. *1 . -2]" 1
1277 1 93 LEU H 1 94 LEU H 2.990 . 2.990 2.508 2.058 2.812 . 0 0 "[ . 1 . 2]" 1
1278 1 93 LEU H 1 94 LEU QB 4.830 . 4.830 4.180 3.643 4.851 0.021 20 0 "[ . 1 . 2]" 1
1279 1 93 LEU H 1 95 ASP H 4.370 . 4.370 3.998 3.463 4.556 0.186 19 0 "[ . 1 . 2]" 1
1280 1 93 LEU H 1 95 ASP QB 5.000 . 5.000 4.907 4.349 5.167 0.167 14 0 "[ . 1 . 2]" 1
1281 1 93 LEU HA 1 93 LEU MD2 3.060 . 3.060 2.472 2.079 3.810 0.750 17 2 "[ . 1 - . + 2]" 1
1282 1 93 LEU HA 1 96 ALA H 3.630 . 3.630 3.530 3.157 3.825 0.195 19 0 "[ . 1 . 2]" 1
1283 1 93 LEU HA 1 96 ALA MB 3.920 . 3.920 2.920 2.161 3.929 0.009 12 0 "[ . 1 . 2]" 1
1284 1 93 LEU QB 1 93 LEU MD2 3.270 . 3.270 2.299 2.051 2.567 . 0 0 "[ . 1 . 2]" 1
1285 1 93 LEU QB 1 94 LEU H 3.590 . 3.590 2.870 2.081 3.803 0.213 17 0 "[ . 1 . 2]" 1
1286 1 94 LEU H 1 94 LEU QB 3.320 . 3.320 2.214 2.008 2.977 . 0 0 "[ . 1 . 2]" 1
1287 1 94 LEU H 1 94 LEU QD 2.920 . 2.920 2.529 1.378 3.711 0.791 7 1 "[ . + 1 . 2]" 1
1288 1 94 LEU H 1 95 ASP H 3.050 . 3.050 2.470 1.976 3.001 . 0 0 "[ . 1 . 2]" 1
1289 1 94 LEU H 1 95 ASP QB 4.170 . 4.170 4.229 3.791 4.619 0.449 14 0 "[ . 1 . 2]" 1
1290 1 94 LEU HA 1 94 LEU QD . . 3.040 2.015 1.926 2.911 . 0 0 "[ . 1 . 2]" 1
1291 1 94 LEU HA 1 95 ASP H 3.420 . 3.420 3.441 3.294 3.529 0.109 3 0 "[ . 1 . 2]" 1
1292 1 94 LEU QB 1 94 LEU HG 2.780 . 2.780 2.175 2.036 2.225 . 0 0 "[ . 1 . 2]" 1
1293 1 94 LEU QB 1 95 ASP H 3.300 . 3.300 2.659 1.948 3.372 0.072 20 0 "[ . 1 . 2]" 1
1294 1 94 LEU HG 1 95 ASP H 4.820 . 4.820 4.993 4.490 5.312 0.492 4 0 "[ . 1 . 2]" 1
1295 1 95 ASP H 1 95 ASP QB 2.700 . 2.700 2.228 2.083 2.359 . 0 0 "[ . 1 . 2]" 1
1296 1 95 ASP H 1 96 ALA H 3.090 . 3.090 2.621 2.276 2.918 . 0 0 "[ . 1 . 2]" 1
1297 1 95 ASP QB 1 96 ALA H 3.040 . 3.040 2.933 2.162 3.295 0.255 12 0 "[ . 1 . 2]" 1
1298 1 95 ASP QB 1 96 ALA HA 5.000 . 5.000 4.256 3.833 4.691 . 0 0 "[ . 1 . 2]" 1
1299 1 95 ASP QB 1 98 GLY H 5.000 . 5.000 5.047 3.948 5.547 0.547 11 3 "[* . -+ . 2]" 1
1300 1 96 ALA H 1 96 ALA HA 2.850 . 2.850 2.814 2.692 2.923 0.073 16 0 "[ . 1 . 2]" 1
1301 1 96 ALA H 1 96 ALA MB 2.520 . 2.520 2.239 2.169 2.304 . 0 0 "[ . 1 . 2]" 1
1302 1 96 ALA H 1 97 LYS H 3.250 . 3.250 2.739 2.275 3.061 . 0 0 "[ . 1 . 2]" 1
1303 1 96 ALA H 1 97 LYS QB 4.750 . 4.750 4.686 4.299 5.022 0.272 16 0 "[ . 1 . 2]" 1
1304 1 96 ALA HA 1 101 VAL QG 4.960 . 4.960 4.432 2.683 5.059 0.099 17 0 "[ . 1 . 2]" 1
1305 1 96 ALA MB 1 97 LYS H 3.510 . 3.510 2.965 1.849 3.472 . 0 0 "[ . 1 . 2]" 1
1306 1 97 LYS H 1 97 LYS HA 2.720 . 2.720 2.743 2.263 2.947 0.227 5 0 "[ . 1 . 2]" 1
1307 1 97 LYS H 1 97 LYS QB 2.720 . 2.720 2.442 2.106 3.093 0.373 11 0 "[ . 1 . 2]" 1
1308 1 97 LYS H 1 97 LYS QG 3.900 . 3.900 3.362 1.904 4.190 0.290 2 0 "[ . 1 . 2]" 1
1309 1 97 LYS H 1 98 GLY H 2.650 . 2.650 2.651 2.273 2.776 0.126 3 0 "[ . 1 . 2]" 1
1310 1 97 LYS HA 1 97 LYS QD 3.350 . 3.350 3.296 2.284 4.214 0.864 19 4 "[ . 1-* . *+2]" 1
1311 1 97 LYS HA 1 97 LYS QG 3.510 . 3.510 2.481 2.167 3.448 . 0 0 "[ . 1 . 2]" 1
1312 1 97 LYS HA 1 98 GLY H 3.040 . 3.040 3.188 2.804 3.491 0.451 15 0 "[ . 1 . 2]" 1
1313 1 97 LYS QE 1 97 LYS QG 3.490 . 3.490 2.300 2.117 2.864 . 0 0 "[ . 1 . 2]" 1
1314 1 98 GLY H 1 98 GLY QA 2.470 . 2.470 2.318 2.196 2.514 0.044 1 0 "[ . 1 . 2]" 1
1315 1 98 GLY H 1 101 VAL QG 3.860 . 3.860 3.502 2.052 3.944 0.084 3 0 "[ . 1 . 2]" 1
1316 1 98 GLY QA 1 99 ALA H 2.770 . 2.770 2.385 2.090 2.901 0.131 5 0 "[ . 1 . 2]" 1
1317 1 98 GLY QA 1 99 ALA MB 5.000 . 5.000 3.664 3.492 4.173 . 0 0 "[ . 1 . 2]" 1
1318 1 98 GLY QA 1 100 ASP H 4.490 . 4.490 3.112 2.716 3.725 . 0 0 "[ . 1 . 2]" 1
1319 1 98 GLY QA 1 100 ASP QB 5.000 . 5.000 4.654 3.822 5.354 0.354 19 0 "[ . 1 . 2]" 1
1320 1 98 GLY QA 1 101 VAL HB 5.000 . 5.000 4.305 2.928 5.082 0.082 17 0 "[ . 1 . 2]" 1
1321 1 98 GLY QA 1 101 VAL QG 3.840 . 3.840 2.556 1.893 3.938 0.098 19 0 "[ . 1 . 2]" 1
1322 1 99 ALA H 1 99 ALA HA 2.880 . 2.880 2.519 2.293 2.947 0.067 17 0 "[ . 1 . 2]" 1
1323 1 99 ALA H 1 100 ASP H 2.800 . 2.800 2.335 1.444 2.740 . 0 0 "[ . 1 . 2]" 1
1324 1 99 ALA H 1 101 VAL QG 4.150 . 4.150 3.390 2.605 4.408 0.258 19 0 "[ . 1 . 2]" 1
1325 1 99 ALA HA 1 100 ASP H 3.000 . 3.000 3.080 3.043 3.111 0.111 13 0 "[ . 1 . 2]" 1
1326 1 99 ALA HA 1 100 ASP QB 5.000 . 5.000 4.824 4.417 5.056 0.056 2 0 "[ . 1 . 2]" 1
1327 1 99 ALA HA 1 101 VAL H 4.520 . 4.520 4.257 3.854 4.573 0.053 6 0 "[ . 1 . 2]" 1
1328 1 99 ALA MB 1 100 ASP H 3.370 . 3.370 3.474 3.404 3.523 0.153 17 0 "[ . 1 . 2]" 1
1329 1 99 ALA MB 1 100 ASP HA 4.370 . 4.370 4.393 4.275 4.849 0.479 19 0 "[ . 1 . 2]" 1
1330 1 99 ALA MB 1 100 ASP QB 4.120 . 4.120 3.789 3.452 4.186 0.066 19 0 "[ . 1 . 2]" 1
1331 1 99 ALA MB 1 101 VAL H 4.780 . 4.780 4.665 3.021 4.902 0.122 2 0 "[ . 1 . 2]" 1
1332 1 100 ASP H 1 100 ASP QB 3.260 . 3.260 2.945 2.663 3.440 0.180 19 0 "[ . 1 . 2]" 1
1333 1 100 ASP H 1 101 VAL HB 5.000 . 5.000 4.255 3.559 5.006 0.006 11 0 "[ . 1 . 2]" 1
1334 1 100 ASP H 1 101 VAL QG 4.960 . 4.960 2.735 2.352 3.668 . 0 0 "[ . 1 . 2]" 1
1335 1 101 VAL H 1 101 VAL HB 2.920 . 2.920 2.899 2.467 3.472 0.552 13 6 "[ * * *1- +*. 2]" 1
1336 1 101 VAL H 1 101 VAL QG 2.690 . 2.690 1.989 1.667 2.643 . 0 0 "[ . 1 . 2]" 1
1337 1 101 VAL H 1 102 ASN H 3.150 . 3.150 2.402 1.606 2.882 . 0 0 "[ . 1 . 2]" 1
1338 1 101 VAL HA 1 101 VAL MG1 3.340 . 3.340 2.541 2.216 3.193 . 0 0 "[ . 1 . 2]" 1
1339 1 101 VAL HA 1 101 VAL QG 2.830 . 2.830 2.159 2.056 2.256 . 0 0 "[ . 1 . 2]" 1
1340 1 101 VAL HA 1 101 VAL MG2 3.340 . 3.340 2.590 2.230 3.169 . 0 0 "[ . 1 . 2]" 1
1341 1 101 VAL HA 1 102 ASN H 3.250 . 3.250 3.410 3.266 3.506 0.256 15 0 "[ . 1 . 2]" 1
1342 1 101 VAL HA 1 103 ALA H 4.980 . 4.980 3.752 3.110 4.753 . 0 0 "[ . 1 . 2]" 1
1343 1 101 VAL HA 1 103 ALA MB 5.000 . 5.000 4.442 3.766 5.029 0.029 4 0 "[ . 1 . 2]" 1
1344 1 101 VAL HA 1 104 ARG QB 4.750 . 4.750 3.881 2.103 5.044 0.294 19 0 "[ . 1 . 2]" 1
1345 1 101 VAL HA 1 104 ARG QD 4.800 . 4.800 3.332 2.075 5.121 0.321 3 0 "[ . 1 . 2]" 1
1346 1 101 VAL HA 1 104 ARG QG 5.000 . 5.000 3.639 2.508 4.956 . 0 0 "[ . 1 . 2]" 1
1347 1 101 VAL HB 1 102 ASN H 3.640 . 3.640 3.578 3.300 3.798 0.158 6 0 "[ . 1 . 2]" 1
1348 1 101 VAL QG 1 102 ASN H 3.570 . 3.570 2.651 1.742 3.632 0.062 19 0 "[ . 1 . 2]" 1
1349 1 101 VAL QG 1 102 ASN HA 4.820 . 4.820 3.549 2.833 4.120 . 0 0 "[ . 1 . 2]" 1
1350 1 101 VAL QG 1 102 ASN QB 4.830 . 4.830 3.874 2.859 4.894 0.064 10 0 "[ . 1 . 2]" 1
1351 1 101 VAL QG 1 103 ALA H 4.540 . 4.540 4.148 3.615 4.654 0.114 3 0 "[ . 1 . 2]" 1
1352 1 101 VAL QG 1 104 ARG QD 4.960 . 4.960 3.523 2.011 4.518 . 0 0 "[ . 1 . 2]" 1
1353 1 101 VAL QG 1 105 SER QB 4.960 . 4.960 3.462 2.027 5.033 0.073 3 0 "[ . 1 . 2]" 1
1354 1 102 ASN H 1 102 ASN QB 3.010 . 3.010 2.390 2.215 2.738 . 0 0 "[ . 1 . 2]" 1
1355 1 102 ASN H 1 103 ALA H 3.320 . 3.320 2.707 2.406 3.110 . 0 0 "[ . 1 . 2]" 1
1356 1 102 ASN H 1 103 ALA MB 4.810 . 4.810 4.348 4.050 4.692 . 0 0 "[ . 1 . 2]" 1
1357 1 102 ASN HA 1 105 SER QB 5.000 . 5.000 4.246 2.548 5.082 0.082 3 0 "[ . 1 . 2]" 1
1358 1 102 ASN QB 1 103 ALA H 3.490 . 3.490 3.002 2.386 3.377 . 0 0 "[ . 1 . 2]" 1
1359 1 102 ASN QB 1 103 ALA MB 4.070 . 4.070 3.987 3.555 4.167 0.097 8 0 "[ . 1 . 2]" 1
1360 1 103 ALA H 1 103 ALA MB 2.840 . 2.840 2.243 2.187 2.285 . 0 0 "[ . 1 . 2]" 1
1361 1 103 ALA H 1 104 ARG QB 5.000 . 5.000 4.736 3.995 5.143 0.143 2 0 "[ . 1 . 2]" 1
1362 1 103 ALA MB 1 104 ARG HA 5.000 . 5.000 3.921 3.687 4.479 . 0 0 "[ . 1 . 2]" 1
1363 1 104 ARG H 1 104 ARG QB 3.310 . 3.310 2.624 2.143 3.315 0.005 15 0 "[ . 1 . 2]" 1
1364 1 104 ARG H 1 104 ARG QD 5.000 . 5.000 3.324 1.695 4.745 . 0 0 "[ . 1 . 2]" 1
1365 1 104 ARG HA 1 104 ARG QD 4.400 . 4.400 3.641 2.091 4.509 0.109 9 0 "[ . 1 . 2]" 1
1366 1 104 ARG HA 1 104 ARG QG 3.600 . 3.600 2.992 2.237 3.474 . 0 0 "[ . 1 . 2]" 1
1367 1 104 ARG QB 1 105 SER H 4.550 . 4.550 2.391 1.762 3.976 . 0 0 "[ . 1 . 2]" 1
1368 1 104 ARG QB 1 106 TRP H 5.000 . 5.000 4.729 3.522 5.050 0.050 7 0 "[ . 1 . 2]" 1
1369 1 104 ARG QD 1 105 SER QB 4.280 . 4.280 4.341 4.084 4.587 0.307 11 0 "[ . 1 . 2]" 1
1370 1 105 SER HA 1 105 SER QB 2.800 . 2.800 2.309 2.177 2.503 . 0 0 "[ . 1 . 2]" 1
1371 1 105 SER HA 1 106 TRP H 3.470 . 3.470 2.846 2.149 3.565 0.095 10 0 "[ . 1 . 2]" 1
1372 1 105 SER QB 1 106 TRP H 4.190 . 4.190 3.402 1.797 4.065 . 0 0 "[ . 1 . 2]" 1
1373 1 105 SER QB 1 106 TRP HA 5.000 . 5.000 4.634 3.974 4.948 . 0 0 "[ . 1 . 2]" 1
1374 1 106 TRP H 1 106 TRP QB 3.390 . 3.390 2.731 2.240 3.278 . 0 0 "[ . 1 . 2]" 1
1375 1 106 TRP H 1 107 GLY H 4.850 . 4.850 3.656 1.484 4.648 . 0 0 "[ . 1 . 2]" 1
1376 1 106 TRP QB 1 107 GLY H 4.520 . 4.520 2.948 1.837 3.769 . 0 0 "[ . 1 . 2]" 1
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