Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595910 | 2n6e RC | 25761 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n6e
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 1264
_Distance_constraint_stats_list.Viol_count 3335
_Distance_constraint_stats_list.Viol_total 10918.091
_Distance_constraint_stats_list.Viol_max 1.659
_Distance_constraint_stats_list.Viol_rms 0.1049
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0216
_Distance_constraint_stats_list.Viol_average_violations_only 0.1637
_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 2 MET 7.749 0.965 7 5 "[ . + 1*- . **2]"
1 3 LEU 7.777 0.965 7 5 "[ . + 1*- . **2]"
1 4 LEU 5.720 0.897 18 2 "[ . 1 . -+ 2]"
1 5 SER 21.971 0.746 17 19 "[* ****-*********+***]"
1 6 THR 6.232 0.117 15 0 "[ . 1 . 2]"
1 7 ASP 26.965 1.659 5 17 "[* **+*-****** ** ***]"
1 8 ILE 41.236 0.855 6 19 "[* ***+-*************]"
1 9 TRP 9.097 0.897 18 2 "[ . 1 . -+ 2]"
1 10 VAL 5.921 0.108 2 0 "[ . 1 . 2]"
1 11 ALA 6.044 0.145 11 0 "[ . 1 . 2]"
1 12 ALA 3.878 1.257 8 2 "[ .- + 1 . 2]"
1 13 LEU 3.716 0.317 13 0 "[ . 1 . 2]"
1 14 ILE 32.263 1.490 4 17 "[* *+. ***********-**]"
1 15 ARG 15.778 1.257 8 18 "[* **.**+*********-**]"
1 16 ARG 2.926 0.409 12 0 "[ . 1 . 2]"
1 17 ALA 21.419 1.134 1 19 "[+** *-**************]"
1 18 GLU 29.446 1.490 4 20 [***+*-**************]
1 19 LEU 2.831 0.093 20 0 "[ . 1 . 2]"
1 20 GLY 1.682 0.093 20 0 "[ . 1 . 2]"
1 21 GLY 0.424 0.072 11 0 "[ . 1 . 2]"
1 22 ALA 0.864 0.098 7 0 "[ . 1 . 2]"
1 23 PHE 1.938 0.571 18 1 "[ . 1 . + 2]"
1 24 ALA 1.804 0.097 15 0 "[ . 1 . 2]"
1 25 THR 6.434 0.204 5 0 "[ . 1 . 2]"
1 26 VAL 2.592 0.102 18 0 "[ . 1 . 2]"
1 27 ALA 2.126 0.105 12 0 "[ . 1 . 2]"
1 28 ARG 5.974 0.217 14 0 "[ . 1 . 2]"
1 29 LYS 2.425 0.217 14 0 "[ . 1 . 2]"
1 30 GLY 0.626 0.145 3 0 "[ . 1 . 2]"
1 31 ASP 1.689 0.359 16 0 "[ . 1 . 2]"
1 32 ALA 3.331 0.108 10 0 "[ . 1 . 2]"
1 33 ARG 1.693 0.097 20 0 "[ . 1 . 2]"
1 34 ALA 2.524 0.097 20 0 "[ . 1 . 2]"
1 35 GLY 3.834 0.542 16 3 "[ . * -1 .+ 2]"
1 36 ALA 2.455 0.096 18 0 "[ . 1 . 2]"
1 37 VAL 34.039 1.414 9 18 "[****. **+********-**]"
1 38 LEU 8.047 0.617 20 2 "[ . 1 . - +]"
1 39 VAL 2.804 0.092 19 0 "[ . 1 . 2]"
1 40 LYS 20.507 1.323 20 9 "[* * .** ** * - +]"
1 41 ALA 5.812 1.323 20 4 "[ . * * - +]"
1 42 VAL 1.487 0.090 16 0 "[ . 1 . 2]"
1 43 ASP 19.306 0.938 5 12 "[ *-*+** *****. *2]"
1 44 ARG 0.174 0.057 7 0 "[ . 1 . 2]"
1 45 ARG 0.353 0.073 19 0 "[ . 1 . 2]"
1 46 GLU 23.601 0.938 5 10 "[ ***+* **-* . * 2]"
1 47 GLY 1.695 0.289 17 0 "[ . 1 . 2]"
1 48 THR 5.255 0.470 9 0 "[ . 1 . 2]"
1 49 ALA 1.312 0.478 16 0 "[ . 1 . 2]"
1 50 ARG 6.237 0.894 9 5 "[ **. +1 * . -]"
1 51 LEU 12.126 1.078 6 4 "[ * .+ -1 . *]"
1 52 PHE 7.452 0.539 4 2 "[- +. 1 . 2]"
1 53 SER 9.981 0.617 20 2 "[ . 1 . - +]"
1 54 GLU 2.126 0.167 3 0 "[ . 1 . 2]"
1 55 ALA 2.778 0.171 3 0 "[ . 1 . 2]"
1 56 THR 8.993 0.603 5 3 "[ -*+ 1 . 2]"
1 57 ARG 2.396 0.095 19 0 "[ . 1 . 2]"
1 58 GLY 1.523 0.089 4 0 "[ . 1 . 2]"
1 59 ASP 3.208 0.107 4 0 "[ . 1 . 2]"
1 60 GLY 2.401 0.103 19 0 "[ . 1 . 2]"
1 61 GLU 2.733 0.257 5 0 "[ . 1 . 2]"
1 62 ARG 20.922 1.242 17 16 "[ *-**** *** * **+***]"
1 63 PHE 7.572 0.119 9 0 "[ . 1 . 2]"
1 64 TRP 14.091 0.556 18 1 "[ . 1 . + 2]"
1 65 MET 35.633 1.267 15 20 [***-**********+*****]
1 66 GLN 37.436 1.267 15 20 [-*************+*****]
1 67 PRO 22.648 0.729 1 13 "[+***. * *1 ** .****-]"
1 68 VAL 18.426 0.729 1 10 "[+** . * *1 ** . **-]"
1 69 ARG 0.674 0.462 12 0 "[ . 1 . 2]"
1 70 SER 1.902 0.103 9 0 "[ . 1 . 2]"
1 71 THR 9.100 1.141 5 3 "[ + 1- . *]"
1 72 PHE 7.747 1.141 5 3 "[ + 1- . *]"
1 73 GLU 1.049 0.071 9 0 "[ . 1 . 2]"
1 75 ASP 1.665 0.666 16 1 "[ . 1 .+ 2]"
1 76 LEU 8.233 0.965 19 5 "[ * . 1 - .* +*]"
1 77 ASP 5.234 0.965 19 4 "[ * . 1 - . +*]"
1 78 ALA 0.669 0.108 16 0 "[ . 1 . 2]"
1 79 TYR 13.619 0.654 17 3 "[ *. 1 .-+ 2]"
1 80 ALA 5.184 0.119 9 0 "[ . 1 . 2]"
1 81 GLU 5.461 0.659 8 4 "[* *. + 1 - . 2]"
1 82 ARG 4.636 0.090 5 0 "[ . 1 . 2]"
1 83 ALA 6.561 0.119 14 0 "[ . 1 . 2]"
1 84 ALA 7.731 0.596 10 1 "[ . + . 2]"
1 85 ARG 3.255 0.510 9 1 "[ . +1 . 2]"
1 86 ILE 33.703 1.285 17 19 "[* ********-*****+***]"
1 87 ASP 42.586 1.285 17 19 "[* ********-*****+***]"
1 88 PRO 1.441 0.302 2 0 "[ . 1 . 2]"
1 89 ASP 4.746 0.542 16 3 "[ . * -1 .+ 2]"
1 90 ILE 10.126 0.626 4 1 "[ +. 1 . 2]"
1 91 TRP 53.453 1.659 5 20 [****+************-**]
1 92 VAL 5.749 0.119 9 0 "[ . 1 . 2]"
1 93 VAL 0.809 0.108 2 0 "[ . 1 . 2]"
1 94 GLU 3.285 0.114 15 0 "[ . 1 . 2]"
1 95 ILE 25.156 0.954 11 20 [**********+******-**]
1 96 GLU 2.707 0.571 18 1 "[ . 1 . + 2]"
1 97 ASP 3.672 0.089 19 0 "[ . 1 . 2]"
1 98 ARG 2.473 0.687 10 2 "[ . + . -2]"
1 99 ASP 5.224 0.918 17 4 "[ . * .-+ *]"
1 100 GLY 9.867 0.890 2 7 "[ +**. * 1 * -. *2]"
1 101 ARG 11.067 0.918 17 3 "[ . 1 .-+ *]"
1 102 HIS 8.583 0.806 20 5 "[ .** 1 -* . +]"
1 103 PHE 22.270 0.954 11 20 [****-*****+*********]
1 104 LEU 8.094 0.806 20 5 "[ .** 1 -* . +]"
1 105 THR 0.584 0.116 5 0 "[ . 1 . 2]"
1 106 GLU 0.422 0.073 13 0 "[ . 1 . 2]"
1 107 PRO 0.275 0.072 5 0 "[ . 1 . 2]"
1 108 VAL 1.342 0.169 12 0 "[ . 1 . 2]"
1 109 GLU 8.473 0.556 18 1 "[ . 1 . + 2]"
1 110 SER 1.855 0.091 19 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 2 MET HA 1 3 LEU H . . 2.690 2.434 2.180 2.683 . 0 0 "[ . 1 . 2]" 1
2 1 2 MET HB3 1 3 LEU H . . 3.880 2.821 2.146 3.728 . 0 0 "[ . 1 . 2]" 1
3 1 2 MET HB3 1 3 LEU MD2 . . 5.500 5.804 5.455 6.465 0.965 7 5 "[ . + 1*- . **2]" 1
4 1 2 MET HB3 1 4 LEU H . . 4.590 4.211 2.566 4.834 0.244 12 0 "[ . 1 . 2]" 1
5 1 3 LEU H 1 3 LEU HB3 . . 3.320 3.034 2.840 3.218 . 0 0 "[ . 1 . 2]" 1
6 1 3 LEU H 1 3 LEU MD2 . . 4.430 4.206 4.061 4.309 . 0 0 "[ . 1 . 2]" 1
7 1 3 LEU H 1 4 LEU H . . 3.850 3.257 2.603 3.902 0.052 13 0 "[ . 1 . 2]" 1
8 1 3 LEU H 1 4 LEU QD . . 4.310 3.400 2.350 4.177 . 0 0 "[ . 1 . 2]" 1
9 1 3 LEU HA 1 3 LEU MD1 . . 3.110 2.512 2.230 2.953 . 0 0 "[ . 1 . 2]" 1
10 1 3 LEU HA 1 3 LEU MD2 . . 3.640 2.102 2.041 2.229 . 0 0 "[ . 1 . 2]" 1
11 1 3 LEU HA 1 4 LEU H . . 2.610 2.350 2.078 2.680 0.070 12 0 "[ . 1 . 2]" 1
12 1 3 LEU HB3 1 3 LEU MD1 . . 3.390 2.495 2.357 2.635 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU HB3 1 4 LEU H . . 4.300 4.336 4.191 4.386 0.086 17 0 "[ . 1 . 2]" 1
14 1 3 LEU MD1 1 4 LEU H . . 4.340 3.478 2.590 4.376 0.036 12 0 "[ . 1 . 2]" 1
15 1 3 LEU MD2 1 4 LEU H . . 4.270 3.985 3.277 4.360 0.090 12 0 "[ . 1 . 2]" 1
16 1 4 LEU H 1 4 LEU HB3 . . 3.680 3.521 3.103 3.696 0.016 13 0 "[ . 1 . 2]" 1
17 1 4 LEU H 1 4 LEU QD . . 4.100 2.611 1.693 3.464 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU HA 1 4 LEU QD . . 2.900 2.323 2.051 2.969 0.069 18 0 "[ . 1 . 2]" 1
19 1 4 LEU HA 1 4 LEU HG . . 3.960 3.309 2.446 4.030 0.070 17 0 "[ . 1 . 2]" 1
20 1 4 LEU HA 1 5 SER H . . 2.630 2.469 2.122 2.695 0.065 15 0 "[ . 1 . 2]" 1
21 1 4 LEU HA 1 8 ILE MD . . 4.850 4.655 4.269 4.928 0.078 15 0 "[ . 1 . 2]" 1
22 1 4 LEU HB3 1 9 TRP H . . 4.430 4.390 4.025 5.327 0.897 18 2 "[ . 1 . -+ 2]" 1
23 1 4 LEU HB3 1 9 TRP HD1 . . 4.590 3.934 3.561 4.222 . 0 0 "[ . 1 . 2]" 1
24 1 4 LEU QD 1 5 SER H . . 3.630 3.212 2.797 3.546 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU QD 1 9 TRP HA . . 4.130 3.897 2.958 4.158 0.028 6 0 "[ . 1 . 2]" 1
26 1 4 LEU QD 1 9 TRP HD1 . . 4.290 2.791 1.986 3.222 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU QD 1 9 TRP HZ2 . . 5.310 3.698 2.788 4.374 . 0 0 "[ . 1 . 2]" 1
28 1 5 SER H 1 5 SER HB3 . . 3.480 3.821 3.524 3.994 0.514 5 2 "[ + 1 -. 2]" 1
29 1 5 SER H 1 8 ILE HB . . 4.250 2.211 1.709 2.870 . 0 0 "[ . 1 . 2]" 1
30 1 5 SER H 1 8 ILE MD . . 3.840 3.930 3.898 3.949 0.109 15 0 "[ . 1 . 2]" 1
31 1 5 SER H 1 9 TRP HZ2 . . 5.500 5.213 4.591 5.583 0.083 16 0 "[ . 1 . 2]" 1
32 1 5 SER HA 1 6 THR H . . 2.760 2.514 2.396 2.739 . 0 0 "[ . 1 . 2]" 1
33 1 5 SER HA 1 7 ASP H . . 5.500 4.689 4.338 5.121 . 0 0 "[ . 1 . 2]" 1
34 1 5 SER HA 1 8 ILE H . . 4.810 4.697 4.420 4.880 0.070 2 0 "[ . 1 . 2]" 1
35 1 5 SER HB3 1 6 THR H . . 3.540 2.628 2.305 3.095 . 0 0 "[ . 1 . 2]" 1
36 1 5 SER HB3 1 7 ASP H . . 4.150 3.624 3.238 4.206 0.056 18 0 "[ . 1 . 2]" 1
37 1 5 SER HB3 1 8 ILE MD . . 4.210 4.830 4.706 4.956 0.746 17 19 "[* ****-*********+***]" 1
38 1 6 THR H 1 6 THR HB . . 3.390 2.632 2.357 2.806 . 0 0 "[ . 1 . 2]" 1
39 1 6 THR H 1 6 THR MG . . 3.810 3.695 3.601 3.770 . 0 0 "[ . 1 . 2]" 1
40 1 6 THR H 1 7 ASP H . . 3.690 2.917 2.745 3.117 . 0 0 "[ . 1 . 2]" 1
41 1 6 THR H 1 7 ASP HB3 . . 5.500 5.000 4.413 5.468 . 0 0 "[ . 1 . 2]" 1
42 1 6 THR H 1 32 ALA HA . . 4.640 4.496 4.214 4.714 0.074 5 0 "[ . 1 . 2]" 1
43 1 6 THR H 1 32 ALA MB . . 4.920 4.863 4.532 5.023 0.103 4 0 "[ . 1 . 2]" 1
44 1 6 THR H 1 33 ARG H . . 4.890 4.760 4.061 4.964 0.074 18 0 "[ . 1 . 2]" 1
45 1 6 THR H 1 33 ARG HA . . 3.860 2.911 2.118 3.439 . 0 0 "[ . 1 . 2]" 1
46 1 6 THR H 1 34 ALA H . . 5.500 4.971 4.278 5.472 . 0 0 "[ . 1 . 2]" 1
47 1 6 THR HA 1 9 TRP H . . 4.840 3.717 3.279 4.063 . 0 0 "[ . 1 . 2]" 1
48 1 6 THR HA 1 10 VAL H . . 5.090 4.396 4.017 4.695 . 0 0 "[ . 1 . 2]" 1
49 1 6 THR HB 1 7 ASP H . . 4.260 2.579 2.215 2.880 . 0 0 "[ . 1 . 2]" 1
50 1 6 THR HB 1 34 ALA H . . 5.270 4.655 4.120 5.027 . 0 0 "[ . 1 . 2]" 1
51 1 6 THR HB 1 34 ALA HA . . 5.500 5.276 3.767 5.588 0.088 9 0 "[ . 1 . 2]" 1
52 1 6 THR HB 1 35 GLY H . . 4.360 3.366 2.946 4.289 . 0 0 "[ . 1 . 2]" 1
53 1 6 THR HB 1 37 VAL QG . . 4.460 4.322 4.051 4.475 0.015 2 0 "[ . 1 . 2]" 1
54 1 6 THR HB 1 91 TRP HE1 . . 4.100 3.159 2.451 4.164 0.064 10 0 "[ . 1 . 2]" 1
55 1 6 THR MG 1 7 ASP H . . 4.190 3.560 3.353 3.846 . 0 0 "[ . 1 . 2]" 1
56 1 6 THR MG 1 7 ASP HA . . 4.760 3.756 3.220 4.218 . 0 0 "[ . 1 . 2]" 1
57 1 6 THR MG 1 9 TRP H . . 5.500 4.829 4.580 5.123 . 0 0 "[ . 1 . 2]" 1
58 1 6 THR MG 1 9 TRP HE3 . . 4.290 3.105 2.582 3.631 . 0 0 "[ . 1 . 2]" 1
59 1 6 THR MG 1 9 TRP HZ3 . . 4.550 3.335 2.496 3.895 . 0 0 "[ . 1 . 2]" 1
60 1 6 THR MG 1 10 VAL H . . 4.160 4.217 3.877 4.263 0.103 16 0 "[ . 1 . 2]" 1
61 1 6 THR MG 1 10 VAL HB . . 4.560 4.409 3.994 4.661 0.101 18 0 "[ . 1 . 2]" 1
62 1 6 THR MG 1 10 VAL MG1 . . 5.080 4.716 4.354 4.976 . 0 0 "[ . 1 . 2]" 1
63 1 6 THR MG 1 10 VAL MG2 . . 3.690 2.745 2.495 2.906 . 0 0 "[ . 1 . 2]" 1
64 1 6 THR MG 1 32 ALA HA . . 4.850 4.043 3.609 4.606 . 0 0 "[ . 1 . 2]" 1
65 1 6 THR MG 1 34 ALA H . . 5.500 5.292 4.754 5.594 0.094 3 0 "[ . 1 . 2]" 1
66 1 6 THR MG 1 35 GLY H . . 4.730 3.456 2.957 4.453 . 0 0 "[ . 1 . 2]" 1
67 1 6 THR MG 1 35 GLY HA2 . . 5.250 4.480 3.903 5.367 0.117 15 0 "[ . 1 . 2]" 1
68 1 6 THR MG 1 37 VAL H . . 5.300 4.557 4.194 4.971 . 0 0 "[ . 1 . 2]" 1
69 1 6 THR MG 1 37 VAL QG . . 3.140 1.965 1.835 2.121 . 0 0 "[ . 1 . 2]" 1
70 1 6 THR MG 1 91 TRP H . . 5.500 4.300 3.832 4.652 . 0 0 "[ . 1 . 2]" 1
71 1 6 THR MG 1 91 TRP HD1 . . 3.500 2.685 2.308 3.362 . 0 0 "[ . 1 . 2]" 1
72 1 6 THR MG 1 91 TRP HE1 . . 3.720 2.823 2.381 3.602 . 0 0 "[ . 1 . 2]" 1
73 1 6 THR MG 1 91 TRP HE3 . . 4.380 4.411 4.051 4.488 0.108 4 0 "[ . 1 . 2]" 1
74 1 6 THR MG 1 91 TRP HZ2 . . 4.440 4.208 3.762 4.528 0.088 4 0 "[ . 1 . 2]" 1
75 1 7 ASP H 1 7 ASP HB3 . . 3.430 2.391 2.070 2.650 . 0 0 "[ . 1 . 2]" 1
76 1 7 ASP H 1 8 ILE H . . 3.440 2.774 2.534 2.983 . 0 0 "[ . 1 . 2]" 1
77 1 7 ASP H 1 8 ILE HB . . 5.500 5.162 4.949 5.370 . 0 0 "[ . 1 . 2]" 1
78 1 7 ASP H 1 8 ILE MD . . 5.500 4.843 4.161 5.293 . 0 0 "[ . 1 . 2]" 1
79 1 7 ASP H 1 8 ILE HG13 . . 5.300 5.822 5.519 6.155 0.855 6 13 "[* ***+-* * ** ** *]" 1
80 1 7 ASP H 1 9 TRP H . . 5.180 4.572 4.217 4.760 . 0 0 "[ . 1 . 2]" 1
81 1 7 ASP H 1 10 VAL H . . 5.180 5.113 4.971 5.246 0.066 10 0 "[ . 1 . 2]" 1
82 1 7 ASP H 1 10 VAL MG2 . . 5.500 4.815 4.447 5.046 . 0 0 "[ . 1 . 2]" 1
83 1 7 ASP H 1 32 ALA H . . 5.500 5.398 4.948 5.580 0.080 4 0 "[ . 1 . 2]" 1
84 1 7 ASP H 1 32 ALA HA . . 3.830 2.767 2.540 2.932 . 0 0 "[ . 1 . 2]" 1
85 1 7 ASP H 1 32 ALA MB . . 4.120 3.283 3.084 3.494 . 0 0 "[ . 1 . 2]" 1
86 1 7 ASP H 1 33 ARG HA . . 4.650 4.396 4.012 4.706 0.056 13 0 "[ . 1 . 2]" 1
87 1 7 ASP H 1 91 TRP HE1 . . 5.500 4.783 4.327 5.273 . 0 0 "[ . 1 . 2]" 1
88 1 7 ASP H 1 91 TRP HZ2 . . 5.090 3.987 3.056 4.481 . 0 0 "[ . 1 . 2]" 1
89 1 7 ASP HA 1 9 TRP H . . 5.200 4.620 4.401 4.884 . 0 0 "[ . 1 . 2]" 1
90 1 7 ASP HA 1 10 VAL H . . 3.950 3.747 3.388 3.961 0.011 8 0 "[ . 1 . 2]" 1
91 1 7 ASP HA 1 10 VAL HB . . 3.400 2.867 2.604 3.202 . 0 0 "[ . 1 . 2]" 1
92 1 7 ASP HA 1 10 VAL MG1 . . 4.980 4.160 3.850 4.527 . 0 0 "[ . 1 . 2]" 1
93 1 7 ASP HA 1 10 VAL MG2 . . 4.390 3.427 2.520 3.939 . 0 0 "[ . 1 . 2]" 1
94 1 7 ASP HA 1 32 ALA MB . . 4.230 4.303 4.145 4.338 0.108 10 0 "[ . 1 . 2]" 1
95 1 7 ASP HA 1 91 TRP HZ2 . . 3.790 3.617 2.745 3.858 0.068 4 0 "[ . 1 . 2]" 1
96 1 7 ASP HB3 1 91 TRP HZ2 . . 3.260 3.740 2.402 4.919 1.659 5 12 "[* *+****1-** . **2]" 1
97 1 8 ILE H 1 8 ILE HB . . 2.990 2.619 2.508 2.746 . 0 0 "[ . 1 . 2]" 1
98 1 8 ILE H 1 8 ILE MD . . 3.720 3.073 2.628 3.435 . 0 0 "[ . 1 . 2]" 1
99 1 8 ILE H 1 8 ILE HG13 . . 3.420 3.575 3.452 3.634 0.214 20 0 "[ . 1 . 2]" 1
100 1 8 ILE H 1 8 ILE MG . . 4.060 3.783 3.749 3.833 . 0 0 "[ . 1 . 2]" 1
101 1 8 ILE H 1 9 TRP H . . 3.460 2.739 2.560 3.022 . 0 0 "[ . 1 . 2]" 1
102 1 8 ILE HA 1 8 ILE MD . . 3.280 2.218 2.126 2.371 . 0 0 "[ . 1 . 2]" 1
103 1 8 ILE HA 1 8 ILE HG13 . . 3.470 3.745 3.735 3.752 0.282 18 0 "[ . 1 . 2]" 1
104 1 8 ILE HA 1 8 ILE MG . . 3.050 2.251 2.205 2.371 . 0 0 "[ . 1 . 2]" 1
105 1 8 ILE HA 1 10 VAL H . . 5.180 4.734 4.565 4.883 . 0 0 "[ . 1 . 2]" 1
106 1 8 ILE HA 1 11 ALA MB . . 3.440 2.643 2.443 2.856 . 0 0 "[ . 1 . 2]" 1
107 1 8 ILE HB 1 8 ILE MD . . 3.320 3.274 3.262 3.286 . 0 0 "[ . 1 . 2]" 1
108 1 8 ILE HB 1 9 TRP H . . 3.370 2.585 2.450 2.773 . 0 0 "[ . 1 . 2]" 1
109 1 8 ILE MD 1 11 ALA MB . . 4.220 3.732 3.418 3.960 . 0 0 "[ . 1 . 2]" 1
110 1 8 ILE HG13 1 8 ILE MG . . 3.180 2.295 2.215 2.390 . 0 0 "[ . 1 . 2]" 1
111 1 8 ILE HG13 1 9 TRP H . . 4.690 4.856 4.748 5.023 0.333 4 0 "[ . 1 . 2]" 1
112 1 8 ILE MG 1 9 TRP H . . 3.820 3.508 3.333 3.798 . 0 0 "[ . 1 . 2]" 1
113 1 8 ILE MG 1 9 TRP HA . . 3.910 3.501 3.199 3.970 0.060 18 0 "[ . 1 . 2]" 1
114 1 8 ILE MG 1 9 TRP HD1 . . 3.830 3.912 3.828 3.930 0.100 8 0 "[ . 1 . 2]" 1
115 1 8 ILE MG 1 11 ALA MB . . 3.360 3.482 3.449 3.505 0.145 11 0 "[ . 1 . 2]" 1
116 1 9 TRP H 1 9 TRP HE3 . . 4.540 3.662 3.273 4.603 0.063 17 0 "[ . 1 . 2]" 1
117 1 9 TRP H 1 10 VAL H . . 3.640 2.709 2.585 2.832 . 0 0 "[ . 1 . 2]" 1
118 1 9 TRP H 1 10 VAL MG2 . . 5.090 4.191 4.056 4.345 . 0 0 "[ . 1 . 2]" 1
119 1 9 TRP H 1 11 ALA H . . 4.960 4.127 3.934 4.305 . 0 0 "[ . 1 . 2]" 1
120 1 9 TRP HA 1 9 TRP HD1 . . 3.650 2.538 2.410 2.777 . 0 0 "[ . 1 . 2]" 1
121 1 9 TRP HA 1 12 ALA H . . 4.120 3.525 3.228 4.063 . 0 0 "[ . 1 . 2]" 1
122 1 9 TRP HA 1 12 ALA MB . . 3.810 2.928 2.453 3.618 . 0 0 "[ . 1 . 2]" 1
123 1 9 TRP HB3 1 9 TRP HD1 . . 3.140 3.091 2.931 3.225 0.085 17 0 "[ . 1 . 2]" 1
124 1 9 TRP HB3 1 10 VAL H . . 4.020 3.585 3.332 3.800 . 0 0 "[ . 1 . 2]" 1
125 1 9 TRP HB3 1 10 VAL MG2 . . 5.060 4.244 3.795 4.528 . 0 0 "[ . 1 . 2]" 1
126 1 9 TRP HE3 1 10 VAL H . . 4.110 4.174 4.073 4.200 0.090 18 0 "[ . 1 . 2]" 1
127 1 10 VAL H 1 10 VAL HB . . 3.080 2.481 2.277 2.656 . 0 0 "[ . 1 . 2]" 1
128 1 10 VAL H 1 10 VAL MG1 . . 3.830 3.772 3.693 3.823 . 0 0 "[ . 1 . 2]" 1
129 1 10 VAL H 1 10 VAL MG2 . . 3.200 2.134 2.010 2.280 . 0 0 "[ . 1 . 2]" 1
130 1 10 VAL H 1 11 ALA H . . 3.520 2.793 2.731 2.881 . 0 0 "[ . 1 . 2]" 1
131 1 10 VAL H 1 11 ALA HA . . 5.260 5.333 5.315 5.346 0.086 18 0 "[ . 1 . 2]" 1
132 1 10 VAL H 1 11 ALA MB . . 4.420 4.408 4.330 4.486 0.066 18 0 "[ . 1 . 2]" 1
133 1 10 VAL H 1 12 ALA H . . 4.700 4.410 4.084 4.662 . 0 0 "[ . 1 . 2]" 1
134 1 10 VAL HA 1 10 VAL MG1 . . 3.220 2.447 2.341 2.582 . 0 0 "[ . 1 . 2]" 1
135 1 10 VAL HA 1 10 VAL MG2 . . 3.160 2.366 2.303 2.462 . 0 0 "[ . 1 . 2]" 1
136 1 10 VAL HA 1 12 ALA H . . 4.790 4.512 3.882 4.816 0.026 20 0 "[ . 1 . 2]" 1
137 1 10 VAL HA 1 13 LEU H . . 4.030 3.722 3.250 4.017 . 0 0 "[ . 1 . 2]" 1
138 1 10 VAL HA 1 13 LEU HB3 . . 4.190 2.448 2.159 2.765 . 0 0 "[ . 1 . 2]" 1
139 1 10 VAL HA 1 13 LEU QD . . 4.700 2.773 2.000 3.738 . 0 0 "[ . 1 . 2]" 1
140 1 10 VAL HB 1 11 ALA H . . 3.370 2.706 2.467 3.106 . 0 0 "[ . 1 . 2]" 1
141 1 10 VAL HB 1 91 TRP HZ3 . . 4.820 3.470 2.842 4.285 . 0 0 "[ . 1 . 2]" 1
142 1 10 VAL MG1 1 11 ALA H . . 3.700 3.476 3.177 3.771 0.071 15 0 "[ . 1 . 2]" 1
143 1 10 VAL MG1 1 11 ALA HA . . 4.040 3.525 3.337 3.884 . 0 0 "[ . 1 . 2]" 1
144 1 10 VAL MG1 1 91 TRP HE3 . . 3.350 2.475 2.142 3.075 . 0 0 "[ . 1 . 2]" 1
145 1 10 VAL MG1 1 91 TRP HZ3 . . 3.280 2.625 2.173 3.267 . 0 0 "[ . 1 . 2]" 1
146 1 10 VAL MG1 1 93 VAL HA . . 5.500 4.307 3.913 4.972 . 0 0 "[ . 1 . 2]" 1
147 1 10 VAL MG1 1 93 VAL MG2 . . 2.590 2.337 1.990 2.698 0.108 2 0 "[ . 1 . 2]" 1
148 1 10 VAL MG2 1 11 ALA H . . 4.080 3.960 3.685 4.132 0.052 15 0 "[ . 1 . 2]" 1
149 1 10 VAL MG2 1 91 TRP HE3 . . 3.670 2.604 2.359 3.751 0.081 6 0 "[ . 1 . 2]" 1
150 1 10 VAL MG2 1 93 VAL MG2 . . 3.430 2.236 2.007 2.483 . 0 0 "[ . 1 . 2]" 1
151 1 11 ALA H 1 11 ALA MB . . 2.660 2.207 2.148 2.270 . 0 0 "[ . 1 . 2]" 1
152 1 11 ALA HA 1 14 ILE H . . 3.970 3.950 3.704 4.031 0.061 14 0 "[ . 1 . 2]" 1
153 1 11 ALA HA 1 14 ILE HB . . 3.260 3.245 2.910 3.348 0.088 10 0 "[ . 1 . 2]" 1
154 1 11 ALA MB 1 12 ALA H . . 3.810 2.540 2.285 3.183 . 0 0 "[ . 1 . 2]" 1
155 1 11 ALA MB 1 13 LEU H . . 4.950 4.689 4.481 5.007 0.057 5 0 "[ . 1 . 2]" 1
156 1 11 ALA MB 1 14 ILE MG . . 5.330 5.251 4.840 5.423 0.093 16 0 "[ . 1 . 2]" 1
157 1 12 ALA H 1 12 ALA MB . . 2.810 2.242 2.147 2.384 . 0 0 "[ . 1 . 2]" 1
158 1 12 ALA H 1 13 LEU H . . 3.440 2.634 2.196 2.837 . 0 0 "[ . 1 . 2]" 1
159 1 12 ALA H 1 13 LEU HA . . 5.320 5.249 4.830 5.393 0.073 1 0 "[ . 1 . 2]" 1
160 1 12 ALA H 1 13 LEU HB3 . . 5.500 4.386 3.731 4.661 . 0 0 "[ . 1 . 2]" 1
161 1 12 ALA H 1 14 ILE H . . 4.900 4.293 3.795 4.480 . 0 0 "[ . 1 . 2]" 1
162 1 12 ALA HA 1 14 ILE H . . 4.790 4.707 4.491 4.856 0.066 16 0 "[ . 1 . 2]" 1
163 1 12 ALA HA 1 15 ARG HG3 . . 4.200 3.793 2.674 5.457 1.257 8 2 "[ .- + 1 . 2]" 1
164 1 12 ALA HA 1 16 ARG H . . 4.240 4.168 3.951 4.330 0.090 4 0 "[ . 1 . 2]" 1
165 1 12 ALA MB 1 13 LEU H . . 3.320 2.365 2.099 2.564 . 0 0 "[ . 1 . 2]" 1
166 1 12 ALA MB 1 13 LEU HA . . 4.880 3.839 3.685 4.091 . 0 0 "[ . 1 . 2]" 1
167 1 12 ALA MB 1 15 ARG H . . 4.980 4.735 4.452 5.035 0.055 6 0 "[ . 1 . 2]" 1
168 1 13 LEU H 1 13 LEU HB3 . . 3.530 2.269 2.102 2.388 . 0 0 "[ . 1 . 2]" 1
169 1 13 LEU H 1 13 LEU QD . . 4.160 3.707 3.522 3.803 . 0 0 "[ . 1 . 2]" 1
170 1 13 LEU H 1 13 LEU HG . . 4.550 4.261 3.455 4.418 . 0 0 "[ . 1 . 2]" 1
171 1 13 LEU H 1 14 ILE H . . 3.650 3.034 2.906 3.149 . 0 0 "[ . 1 . 2]" 1
172 1 13 LEU H 1 14 ILE HB . . 4.970 4.996 4.782 5.047 0.077 4 0 "[ . 1 . 2]" 1
173 1 13 LEU HA 1 13 LEU QD . . 3.140 2.344 2.143 3.112 . 0 0 "[ . 1 . 2]" 1
174 1 13 LEU HA 1 16 ARG H . . 4.170 3.543 3.283 3.804 . 0 0 "[ . 1 . 2]" 1
175 1 13 LEU HA 1 17 ALA H . . 5.190 4.036 3.440 4.470 . 0 0 "[ . 1 . 2]" 1
176 1 13 LEU HB3 1 14 ILE H . . 4.070 2.704 2.494 3.528 . 0 0 "[ . 1 . 2]" 1
177 1 13 LEU QD 1 14 ILE H . . 4.320 3.582 3.101 3.822 . 0 0 "[ . 1 . 2]" 1
178 1 13 LEU QD 1 17 ALA H . . 4.240 3.650 2.182 4.229 . 0 0 "[ . 1 . 2]" 1
179 1 13 LEU QD 1 103 PHE H . . 5.500 4.556 3.771 4.952 . 0 0 "[ . 1 . 2]" 1
180 1 13 LEU QD 1 103 PHE HA . . 5.340 4.151 3.795 4.694 . 0 0 "[ . 1 . 2]" 1
181 1 13 LEU QD 1 103 PHE HB3 . . 3.460 2.695 2.199 3.777 0.317 13 0 "[ . 1 . 2]" 1
182 1 13 LEU QD 1 104 LEU H . . 4.840 3.437 2.735 4.624 . 0 0 "[ . 1 . 2]" 1
183 1 13 LEU QD 1 104 LEU HA . . 4.060 2.656 1.945 3.464 . 0 0 "[ . 1 . 2]" 1
184 1 13 LEU QD 1 104 LEU QD . . 2.890 2.046 1.729 2.744 . 0 0 "[ . 1 . 2]" 1
185 1 13 LEU QD 1 105 THR H . . 5.000 4.237 3.329 4.756 . 0 0 "[ . 1 . 2]" 1
186 1 13 LEU HG 1 14 ILE H . . 4.650 3.067 2.125 3.319 . 0 0 "[ . 1 . 2]" 1
187 1 13 LEU HG 1 14 ILE HA . . 4.620 3.365 3.081 3.604 . 0 0 "[ . 1 . 2]" 1
188 1 13 LEU HG 1 14 ILE HB . . 5.070 4.873 3.958 5.148 0.078 14 0 "[ . 1 . 2]" 1
189 1 13 LEU HG 1 15 ARG H . . 5.240 5.300 5.003 5.337 0.097 16 0 "[ . 1 . 2]" 1
190 1 14 ILE H 1 14 ILE HB . . 3.110 2.282 2.215 2.371 . 0 0 "[ . 1 . 2]" 1
191 1 14 ILE H 1 14 ILE MD . . 3.640 3.481 3.241 3.709 0.069 14 0 "[ . 1 . 2]" 1
192 1 14 ILE H 1 14 ILE HG13 . . 3.330 3.662 3.504 3.760 0.430 8 0 "[ . 1 . 2]" 1
193 1 14 ILE H 1 14 ILE MG . . 3.770 3.732 3.703 3.776 0.006 8 0 "[ . 1 . 2]" 1
194 1 14 ILE H 1 15 ARG H . . 3.650 2.755 2.612 2.938 . 0 0 "[ . 1 . 2]" 1
195 1 14 ILE HA 1 14 ILE MD . . 3.070 2.060 2.012 2.101 . 0 0 "[ . 1 . 2]" 1
196 1 14 ILE HA 1 14 ILE HG13 . . 3.400 3.692 3.653 3.710 0.310 17 0 "[ . 1 . 2]" 1
197 1 14 ILE HA 1 14 ILE MG . . 3.600 2.622 2.490 2.709 . 0 0 "[ . 1 . 2]" 1
198 1 14 ILE HA 1 16 ARG H . . 4.740 4.472 3.820 4.792 0.052 12 0 "[ . 1 . 2]" 1
199 1 14 ILE HA 1 24 ALA MB . . 3.140 2.768 2.440 3.060 . 0 0 "[ . 1 . 2]" 1
200 1 14 ILE HB 1 15 ARG H . . 3.460 2.677 2.513 2.973 . 0 0 "[ . 1 . 2]" 1
201 1 14 ILE MD 1 17 ALA H . . 5.030 4.903 4.369 5.125 0.095 5 0 "[ . 1 . 2]" 1
202 1 14 ILE MD 1 18 GLU HG3 . . 3.840 4.000 3.882 5.330 1.490 4 1 "[ +. 1 . 2]" 1
203 1 14 ILE MD 1 24 ALA H . . 4.780 4.454 4.081 4.809 0.029 5 0 "[ . 1 . 2]" 1
204 1 14 ILE MD 1 24 ALA HA . . 4.300 3.624 3.400 3.939 . 0 0 "[ . 1 . 2]" 1
205 1 14 ILE MD 1 24 ALA MB . . 3.350 2.073 1.948 2.314 . 0 0 "[ . 1 . 2]" 1
206 1 14 ILE MD 1 25 THR H . . 4.580 2.628 2.559 2.731 . 0 0 "[ . 1 . 2]" 1
207 1 14 ILE MD 1 25 THR HA . . 5.070 2.272 2.098 2.526 . 0 0 "[ . 1 . 2]" 1
208 1 14 ILE HG13 1 15 ARG H . . 4.470 5.034 4.830 5.286 0.816 12 17 "[* **. *****+*****-**]" 1
209 1 14 ILE HG13 1 25 THR H . . 5.310 5.043 4.735 5.514 0.204 5 0 "[ . 1 . 2]" 1
210 1 14 ILE MG 1 15 ARG H . . 4.750 3.162 2.904 3.601 . 0 0 "[ . 1 . 2]" 1
211 1 14 ILE MG 1 24 ALA HA . . 5.150 5.073 4.803 5.240 0.090 5 0 "[ . 1 . 2]" 1
212 1 14 ILE MG 1 25 THR H . . 5.020 4.499 4.280 4.807 . 0 0 "[ . 1 . 2]" 1
213 1 14 ILE MG 1 25 THR HA . . 3.900 2.953 2.415 3.317 . 0 0 "[ . 1 . 2]" 1
214 1 14 ILE MG 1 26 VAL H . . 4.240 4.240 3.775 4.342 0.102 18 0 "[ . 1 . 2]" 1
215 1 15 ARG H 1 15 ARG HG3 . . 4.090 3.287 2.460 4.181 0.091 8 0 "[ . 1 . 2]" 1
216 1 15 ARG H 1 16 ARG H . . 3.540 2.799 2.628 2.975 . 0 0 "[ . 1 . 2]" 1
217 1 15 ARG H 1 18 GLU H . . 5.500 5.016 4.738 5.575 0.075 7 0 "[ . 1 . 2]" 1
218 1 16 ARG H 1 16 ARG HG3 . . 3.960 2.784 2.253 3.534 . 0 0 "[ . 1 . 2]" 1
219 1 16 ARG H 1 19 LEU H . . 5.270 4.803 4.624 5.176 . 0 0 "[ . 1 . 2]" 1
220 1 16 ARG H 1 19 LEU QD . . 4.850 4.329 3.892 4.701 . 0 0 "[ . 1 . 2]" 1
221 1 16 ARG HA 1 16 ARG HG3 . . 3.720 3.119 2.631 4.129 0.409 12 0 "[ . 1 . 2]" 1
222 1 16 ARG HA 1 18 GLU H . . 5.260 4.862 4.687 5.094 . 0 0 "[ . 1 . 2]" 1
223 1 16 ARG HA 1 19 LEU H . . 4.000 3.697 3.336 4.067 0.067 4 0 "[ . 1 . 2]" 1
224 1 16 ARG HA 1 19 LEU HB3 . . 3.940 3.335 2.297 4.025 0.085 7 0 "[ . 1 . 2]" 1
225 1 16 ARG HA 1 19 LEU QD . . 3.520 2.636 2.165 3.290 . 0 0 "[ . 1 . 2]" 1
226 1 17 ALA H 1 17 ALA MB . . 2.890 2.205 2.140 2.276 . 0 0 "[ . 1 . 2]" 1
227 1 17 ALA H 1 18 GLU H . . 3.560 2.785 2.544 3.141 . 0 0 "[ . 1 . 2]" 1
228 1 17 ALA H 1 18 GLU HA . . 5.470 5.367 5.201 5.556 0.086 16 0 "[ . 1 . 2]" 1
229 1 17 ALA H 1 18 GLU HG3 . . 5.500 4.992 4.432 5.385 . 0 0 "[ . 1 . 2]" 1
230 1 17 ALA H 1 24 ALA MB . . 5.330 4.161 3.982 4.507 . 0 0 "[ . 1 . 2]" 1
231 1 17 ALA H 1 103 PHE QD . . 5.060 4.490 4.014 5.065 0.005 7 0 "[ . 1 . 2]" 1
232 1 17 ALA MB 1 18 GLU H . . 3.200 2.258 2.135 2.384 . 0 0 "[ . 1 . 2]" 1
233 1 17 ALA MB 1 18 GLU HA . . 4.420 3.767 3.555 3.890 . 0 0 "[ . 1 . 2]" 1
234 1 17 ALA MB 1 18 GLU HB3 . . 4.070 5.055 3.949 5.204 1.134 1 19 "[+** *-**************]" 1
235 1 17 ALA MB 1 18 GLU HG3 . . 3.890 3.470 2.889 4.212 0.322 4 0 "[ . 1 . 2]" 1
236 1 17 ALA MB 1 22 ALA H . . 5.090 4.457 3.939 5.183 0.093 7 0 "[ . 1 . 2]" 1
237 1 17 ALA MB 1 22 ALA MB . . 3.310 2.780 2.165 3.408 0.098 7 0 "[ . 1 . 2]" 1
238 1 17 ALA MB 1 24 ALA H . . 4.500 4.325 3.841 4.597 0.097 15 0 "[ . 1 . 2]" 1
239 1 17 ALA MB 1 24 ALA HA . . 4.820 4.216 3.941 4.752 . 0 0 "[ . 1 . 2]" 1
240 1 17 ALA MB 1 24 ALA MB . . 2.810 1.985 1.865 2.273 . 0 0 "[ . 1 . 2]" 1
241 1 17 ALA MB 1 95 ILE HA . . 5.210 4.213 3.720 4.793 . 0 0 "[ . 1 . 2]" 1
242 1 17 ALA MB 1 103 PHE HB3 . . 3.890 3.262 2.757 3.960 0.070 3 0 "[ . 1 . 2]" 1
243 1 18 GLU H 1 18 GLU HB3 . . 3.260 3.481 2.795 3.575 0.315 11 0 "[ . 1 . 2]" 1
244 1 18 GLU H 1 18 GLU HG3 . . 3.360 2.615 2.226 2.922 . 0 0 "[ . 1 . 2]" 1
245 1 18 GLU H 1 20 GLY H . . 5.500 4.130 3.661 4.330 . 0 0 "[ . 1 . 2]" 1
246 1 18 GLU H 1 24 ALA MB . . 5.500 3.148 2.907 3.431 . 0 0 "[ . 1 . 2]" 1
247 1 18 GLU HA 1 18 GLU HB3 . . 2.970 2.558 2.185 2.655 . 0 0 "[ . 1 . 2]" 1
248 1 18 GLU HA 1 18 GLU HG3 . . 3.490 3.106 2.875 3.517 0.027 18 0 "[ . 1 . 2]" 1
249 1 18 GLU HA 1 21 GLY H . . 4.240 3.439 3.063 3.976 . 0 0 "[ . 1 . 2]" 1
250 1 18 GLU HA 1 22 ALA H . . 3.920 3.011 2.375 3.319 . 0 0 "[ . 1 . 2]" 1
251 1 18 GLU HA 1 22 ALA MB . . 4.690 3.590 2.276 4.625 . 0 0 "[ . 1 . 2]" 1
252 1 18 GLU HB3 1 19 LEU H . . 3.890 3.533 3.139 3.980 0.090 4 0 "[ . 1 . 2]" 1
253 1 18 GLU HG3 1 19 LEU H . . 5.450 4.603 1.890 5.005 . 0 0 "[ . 1 . 2]" 1
254 1 18 GLU HG3 1 23 PHE HA . . 4.820 4.738 4.003 4.906 0.086 13 0 "[ . 1 . 2]" 1
255 1 18 GLU HG3 1 24 ALA H . . 4.720 3.289 2.843 4.538 . 0 0 "[ . 1 . 2]" 1
256 1 18 GLU HG3 1 24 ALA MB . . 4.650 2.451 2.084 4.312 . 0 0 "[ . 1 . 2]" 1
257 1 19 LEU H 1 19 LEU HB3 . . 3.380 3.064 2.234 3.464 0.084 18 0 "[ . 1 . 2]" 1
258 1 19 LEU H 1 19 LEU QD . . 3.810 3.207 2.544 3.637 . 0 0 "[ . 1 . 2]" 1
259 1 19 LEU H 1 20 GLY H . . 3.570 2.700 2.542 2.832 . 0 0 "[ . 1 . 2]" 1
260 1 19 LEU H 1 20 GLY HA3 . . 5.040 4.994 4.762 5.096 0.056 4 0 "[ . 1 . 2]" 1
261 1 19 LEU H 1 21 GLY H . . 4.720 4.094 3.798 4.423 . 0 0 "[ . 1 . 2]" 1
262 1 19 LEU HA 1 19 LEU QD . . 2.750 2.261 2.059 2.693 . 0 0 "[ . 1 . 2]" 1
263 1 19 LEU HA 1 19 LEU HG . . 3.470 2.618 2.188 3.262 . 0 0 "[ . 1 . 2]" 1
264 1 19 LEU HA 1 21 GLY H . . 3.880 3.760 3.321 3.952 0.072 11 0 "[ . 1 . 2]" 1
265 1 19 LEU HB3 1 19 LEU QD . . 3.030 2.200 2.100 2.383 . 0 0 "[ . 1 . 2]" 1
266 1 19 LEU HB3 1 20 GLY H . . 3.970 3.075 2.463 3.868 . 0 0 "[ . 1 . 2]" 1
267 1 19 LEU QD 1 20 GLY H . . 4.920 4.083 3.715 4.412 . 0 0 "[ . 1 . 2]" 1
268 1 19 LEU QD 1 21 GLY H . . 5.500 4.949 4.653 5.259 . 0 0 "[ . 1 . 2]" 1
269 1 19 LEU HG 1 20 GLY H . . 4.820 4.726 3.628 4.913 0.093 20 0 "[ . 1 . 2]" 1
270 1 20 GLY H 1 21 GLY H . . 3.560 2.574 2.361 2.871 . 0 0 "[ . 1 . 2]" 1
271 1 20 GLY H 1 22 ALA H . . 4.390 3.779 3.339 4.460 0.070 14 0 "[ . 1 . 2]" 1
272 1 20 GLY HA3 1 22 ALA MB . . 5.500 4.083 3.476 4.781 . 0 0 "[ . 1 . 2]" 1
273 1 21 GLY H 1 22 ALA H . . 3.250 2.353 2.038 2.958 . 0 0 "[ . 1 . 2]" 1
274 1 21 GLY H 1 22 ALA MB . . 4.720 4.114 3.737 4.427 . 0 0 "[ . 1 . 2]" 1
275 1 22 ALA H 1 22 ALA MB . . 3.460 2.380 2.206 2.829 . 0 0 "[ . 1 . 2]" 1
276 1 22 ALA HA 1 23 PHE H . . 3.360 2.539 2.297 2.837 . 0 0 "[ . 1 . 2]" 1
277 1 22 ALA MB 1 23 PHE H . . 3.030 2.322 2.033 2.814 . 0 0 "[ . 1 . 2]" 1
278 1 22 ALA MB 1 96 GLU H . . 4.250 3.792 3.208 4.341 0.091 3 0 "[ . 1 . 2]" 1
279 1 22 ALA MB 1 97 ASP H . . 5.480 4.327 3.763 4.896 . 0 0 "[ . 1 . 2]" 1
280 1 22 ALA MB 1 97 ASP HA . . 3.710 2.671 2.029 3.672 . 0 0 "[ . 1 . 2]" 1
281 1 22 ALA MB 1 98 ARG H . . 5.400 4.121 3.354 5.122 . 0 0 "[ . 1 . 2]" 1
282 1 23 PHE H 1 23 PHE QD . . 5.500 4.284 3.609 4.487 . 0 0 "[ . 1 . 2]" 1
283 1 23 PHE H 1 24 ALA H . . 4.490 4.224 3.791 4.524 0.034 9 0 "[ . 1 . 2]" 1
284 1 23 PHE H 1 95 ILE MG . . 5.300 4.450 3.721 5.062 . 0 0 "[ . 1 . 2]" 1
285 1 23 PHE H 1 96 GLU H . . 4.010 3.483 2.958 3.947 . 0 0 "[ . 1 . 2]" 1
286 1 23 PHE H 1 97 ASP H . . 5.500 5.224 4.810 5.582 0.082 14 0 "[ . 1 . 2]" 1
287 1 23 PHE H 1 97 ASP HA . . 4.960 3.891 3.504 4.413 . 0 0 "[ . 1 . 2]" 1
288 1 23 PHE HA 1 23 PHE QD . . 3.480 2.690 2.291 3.110 . 0 0 "[ . 1 . 2]" 1
289 1 23 PHE HA 1 24 ALA H . . 2.750 2.244 2.115 2.384 . 0 0 "[ . 1 . 2]" 1
290 1 23 PHE QD 1 24 ALA H . . 4.780 3.938 3.413 4.525 . 0 0 "[ . 1 . 2]" 1
291 1 23 PHE QD 1 96 GLU H . . 5.500 4.468 3.301 5.324 . 0 0 "[ . 1 . 2]" 1
292 1 23 PHE QD 1 96 GLU HG3 . . 5.050 4.146 2.949 5.621 0.571 18 1 "[ . 1 . + 2]" 1
293 1 23 PHE QE 1 25 THR MG . . 4.510 3.913 2.454 4.627 0.117 3 0 "[ . 1 . 2]" 1
294 1 24 ALA H 1 24 ALA MB . . 3.100 2.560 2.318 2.853 . 0 0 "[ . 1 . 2]" 1
295 1 24 ALA H 1 25 THR H . . 4.470 4.379 4.235 4.547 0.077 1 0 "[ . 1 . 2]" 1
296 1 24 ALA HA 1 25 THR H . . 2.770 2.296 2.195 2.363 . 0 0 "[ . 1 . 2]" 1
297 1 24 ALA HA 1 25 THR HA . . 5.160 4.477 4.426 4.544 . 0 0 "[ . 1 . 2]" 1
298 1 24 ALA HA 1 25 THR HB . . 4.910 4.433 4.189 4.727 . 0 0 "[ . 1 . 2]" 1
299 1 24 ALA HA 1 25 THR MG . . 4.230 3.984 3.292 4.273 0.043 1 0 "[ . 1 . 2]" 1
300 1 24 ALA HA 1 95 ILE HA . . 3.110 2.464 2.219 2.680 . 0 0 "[ . 1 . 2]" 1
301 1 24 ALA HA 1 95 ILE MG . . 4.060 3.791 3.276 4.152 0.092 10 0 "[ . 1 . 2]" 1
302 1 24 ALA HA 1 96 GLU H . . 3.750 3.276 2.849 3.569 . 0 0 "[ . 1 . 2]" 1
303 1 24 ALA MB 1 25 THR H . . 3.470 2.800 2.383 3.133 . 0 0 "[ . 1 . 2]" 1
304 1 24 ALA MB 1 95 ILE HA . . 3.600 2.833 2.384 3.297 . 0 0 "[ . 1 . 2]" 1
305 1 24 ALA MB 1 96 GLU H . . 4.860 3.847 3.472 4.317 . 0 0 "[ . 1 . 2]" 1
306 1 25 THR H 1 25 THR HB . . 3.840 3.448 3.307 3.662 . 0 0 "[ . 1 . 2]" 1
307 1 25 THR H 1 25 THR MG . . 3.440 2.813 2.547 2.983 . 0 0 "[ . 1 . 2]" 1
308 1 25 THR H 1 95 ILE HA . . 3.930 3.941 3.818 4.014 0.084 5 0 "[ . 1 . 2]" 1
309 1 25 THR H 1 95 ILE MD . . 4.510 3.356 2.587 4.231 . 0 0 "[ . 1 . 2]" 1
310 1 25 THR H 1 96 GLU H . . 5.440 5.206 4.617 5.522 0.082 6 0 "[ . 1 . 2]" 1
311 1 25 THR HA 1 25 THR MG . . 3.110 3.213 3.205 3.218 0.108 5 0 "[ . 1 . 2]" 1
312 1 25 THR HA 1 26 VAL H . . 2.660 2.475 2.339 2.661 0.001 6 0 "[ . 1 . 2]" 1
313 1 25 THR HA 1 26 VAL HB . . 5.080 4.485 4.010 5.145 0.065 8 0 "[ . 1 . 2]" 1
314 1 25 THR HA 1 94 GLU H . . 5.180 5.038 4.809 5.261 0.081 18 0 "[ . 1 . 2]" 1
315 1 25 THR HB 1 26 VAL H . . 3.770 3.772 3.662 3.846 0.076 20 0 "[ . 1 . 2]" 1
316 1 25 THR HB 1 26 VAL QG . . 5.390 5.080 4.790 5.257 . 0 0 "[ . 1 . 2]" 1
317 1 25 THR MG 1 26 VAL H . . 3.410 2.957 2.591 3.425 0.015 5 0 "[ . 1 . 2]" 1
318 1 25 THR MG 1 27 ALA H . . 4.310 3.888 3.320 4.254 . 0 0 "[ . 1 . 2]" 1
319 1 25 THR MG 1 27 ALA HA . . 4.120 3.729 3.367 3.957 . 0 0 "[ . 1 . 2]" 1
320 1 25 THR MG 1 28 ARG H . . 5.500 5.556 5.167 5.609 0.109 2 0 "[ . 1 . 2]" 1
321 1 25 THR MG 1 94 GLU H . . 3.920 3.692 3.215 4.002 0.082 20 0 "[ . 1 . 2]" 1
322 1 25 THR MG 1 94 GLU HG3 . . 5.030 4.011 2.968 4.913 . 0 0 "[ . 1 . 2]" 1
323 1 26 VAL H 1 26 VAL HB . . 2.970 2.965 2.689 3.047 0.077 19 0 "[ . 1 . 2]" 1
324 1 26 VAL H 1 26 VAL QG . . 3.110 2.158 1.965 2.446 . 0 0 "[ . 1 . 2]" 1
325 1 26 VAL H 1 27 ALA H . . 4.880 4.269 3.726 4.481 . 0 0 "[ . 1 . 2]" 1
326 1 26 VAL H 1 27 ALA MB . . 5.420 4.966 4.679 5.364 . 0 0 "[ . 1 . 2]" 1
327 1 26 VAL H 1 93 VAL HA . . 5.500 4.995 4.788 5.525 0.025 20 0 "[ . 1 . 2]" 1
328 1 26 VAL H 1 94 GLU H . . 5.500 5.101 4.905 5.392 . 0 0 "[ . 1 . 2]" 1
329 1 26 VAL HA 1 26 VAL QG . . 3.060 2.281 2.114 2.409 . 0 0 "[ . 1 . 2]" 1
330 1 26 VAL HA 1 27 ALA H . . 2.880 2.176 2.084 2.281 . 0 0 "[ . 1 . 2]" 1
331 1 26 VAL HA 1 28 ARG H . . 4.200 3.637 3.276 3.921 . 0 0 "[ . 1 . 2]" 1
332 1 26 VAL HA 1 93 VAL H . . 5.500 4.972 4.725 5.312 . 0 0 "[ . 1 . 2]" 1
333 1 26 VAL HA 1 93 VAL HA . . 3.330 2.460 2.236 2.994 . 0 0 "[ . 1 . 2]" 1
334 1 26 VAL HA 1 94 GLU H . . 4.040 3.521 3.151 3.817 . 0 0 "[ . 1 . 2]" 1
335 1 26 VAL HB 1 27 ALA H . . 4.680 4.270 3.774 4.535 . 0 0 "[ . 1 . 2]" 1
336 1 26 VAL HB 1 91 TRP HZ3 . . 4.570 4.116 2.976 4.595 0.025 6 0 "[ . 1 . 2]" 1
337 1 26 VAL QG 1 28 ARG H . . 3.470 2.241 1.823 2.950 . 0 0 "[ . 1 . 2]" 1
338 1 26 VAL QG 1 91 TRP HE3 . . 2.970 2.098 1.970 2.306 . 0 0 "[ . 1 . 2]" 1
339 1 26 VAL QG 1 91 TRP HZ3 . . 3.170 2.292 2.121 2.469 . 0 0 "[ . 1 . 2]" 1
340 1 27 ALA H 1 27 ALA MB . . 2.880 2.308 2.126 2.459 . 0 0 "[ . 1 . 2]" 1
341 1 27 ALA H 1 28 ARG H . . 3.230 2.393 2.114 2.819 . 0 0 "[ . 1 . 2]" 1
342 1 27 ALA H 1 92 VAL H . . 4.910 3.805 3.415 4.639 . 0 0 "[ . 1 . 2]" 1
343 1 27 ALA H 1 92 VAL HB . . 4.450 3.208 2.940 3.416 . 0 0 "[ . 1 . 2]" 1
344 1 27 ALA H 1 92 VAL MG1 . . 4.510 3.397 2.986 3.767 . 0 0 "[ . 1 . 2]" 1
345 1 27 ALA H 1 92 VAL MG2 . . 4.760 4.747 4.532 4.865 0.105 12 0 "[ . 1 . 2]" 1
346 1 27 ALA H 1 93 VAL HA . . 3.880 3.303 2.843 3.596 . 0 0 "[ . 1 . 2]" 1
347 1 27 ALA H 1 94 GLU H . . 4.350 4.016 3.428 4.397 0.047 3 0 "[ . 1 . 2]" 1
348 1 27 ALA MB 1 28 ARG H . . 3.780 3.318 3.013 3.657 . 0 0 "[ . 1 . 2]" 1
349 1 27 ALA MB 1 92 VAL HB . . 3.100 2.499 2.189 2.842 . 0 0 "[ . 1 . 2]" 1
350 1 27 ALA MB 1 92 VAL MG1 . . 3.370 2.210 2.058 2.466 . 0 0 "[ . 1 . 2]" 1
351 1 27 ALA MB 1 94 GLU H . . 4.090 4.134 3.640 4.185 0.095 12 0 "[ . 1 . 2]" 1
352 1 27 ALA MB 1 94 GLU HG3 . . 4.710 2.663 2.089 3.606 . 0 0 "[ . 1 . 2]" 1
353 1 28 ARG H 1 28 ARG HB3 . . 4.190 3.187 2.882 3.650 . 0 0 "[ . 1 . 2]" 1
354 1 28 ARG H 1 29 LYS H . . 4.480 4.289 3.924 4.508 0.028 10 0 "[ . 1 . 2]" 1
355 1 28 ARG H 1 29 LYS HA . . 5.050 4.614 4.335 4.775 . 0 0 "[ . 1 . 2]" 1
356 1 28 ARG H 1 91 TRP HA . . 5.210 4.356 4.001 4.644 . 0 0 "[ . 1 . 2]" 1
357 1 28 ARG H 1 92 VAL H . . 3.640 2.943 2.495 3.350 . 0 0 "[ . 1 . 2]" 1
358 1 28 ARG H 1 92 VAL HB . . 3.530 3.074 2.637 3.574 0.044 14 0 "[ . 1 . 2]" 1
359 1 28 ARG HA 1 29 LYS H . . 2.690 2.357 2.094 2.695 0.005 15 0 "[ . 1 . 2]" 1
360 1 28 ARG HA 1 29 LYS HA . . 4.560 4.507 4.397 4.611 0.051 15 0 "[ . 1 . 2]" 1
361 1 28 ARG HA 1 29 LYS HB3 . . 4.470 4.498 4.180 4.687 0.217 14 0 "[ . 1 . 2]" 1
362 1 28 ARG HA 1 92 VAL H . . 5.000 4.541 4.307 4.827 . 0 0 "[ . 1 . 2]" 1
363 1 28 ARG HA 1 92 VAL HB . . 4.250 4.272 4.133 4.332 0.082 11 0 "[ . 1 . 2]" 1
364 1 28 ARG HA 1 92 VAL MG2 . . 4.280 4.376 4.350 4.391 0.111 11 0 "[ . 1 . 2]" 1
365 1 28 ARG HB3 1 29 LYS H . . 4.670 3.524 2.619 4.232 . 0 0 "[ . 1 . 2]" 1
366 1 28 ARG HB3 1 91 TRP HA . . 4.750 2.487 2.033 3.153 . 0 0 "[ . 1 . 2]" 1
367 1 28 ARG HB3 1 92 VAL H . . 3.640 2.405 2.011 2.975 . 0 0 "[ . 1 . 2]" 1
368 1 28 ARG HB3 1 92 VAL HB . . 3.970 2.906 2.321 3.920 . 0 0 "[ . 1 . 2]" 1
369 1 28 ARG HB3 1 92 VAL MG2 . . 4.150 2.421 2.047 3.211 . 0 0 "[ . 1 . 2]" 1
370 1 29 LYS H 1 29 LYS HB3 . . 3.230 2.603 2.311 2.921 . 0 0 "[ . 1 . 2]" 1
371 1 29 LYS HA 1 91 TRP HA . . 4.000 3.727 2.789 4.071 0.071 14 0 "[ . 1 . 2]" 1
372 1 29 LYS HA 1 91 TRP HE3 . . 4.090 3.787 3.020 4.168 0.078 16 0 "[ . 1 . 2]" 1
373 1 29 LYS HA 1 91 TRP HZ3 . . 4.640 4.249 3.741 4.655 0.015 10 0 "[ . 1 . 2]" 1
374 1 29 LYS HA 1 92 VAL H . . 5.070 4.838 4.111 5.128 0.058 14 0 "[ . 1 . 2]" 1
375 1 30 GLY HA2 1 31 ASP H . . 3.420 2.756 2.044 3.088 . 0 0 "[ . 1 . 2]" 1
376 1 30 GLY HA2 1 31 ASP HA . . 4.780 4.370 4.034 4.538 . 0 0 "[ . 1 . 2]" 1
377 1 30 GLY HA2 1 91 TRP HD1 . . 4.570 4.295 3.547 4.630 0.060 4 0 "[ . 1 . 2]" 1
378 1 30 GLY HA2 1 91 TRP HE1 . . 4.970 4.328 4.019 4.542 . 0 0 "[ . 1 . 2]" 1
379 1 30 GLY HA3 1 31 ASP H . . 3.340 2.471 2.335 3.199 . 0 0 "[ . 1 . 2]" 1
380 1 30 GLY HA3 1 89 ASP HA . . 4.320 3.736 2.703 4.465 0.145 3 0 "[ . 1 . 2]" 1
381 1 30 GLY HA3 1 90 ILE H . . 4.180 4.007 3.305 4.247 0.067 14 0 "[ . 1 . 2]" 1
382 1 30 GLY HA3 1 91 TRP H . . 5.090 3.893 2.943 4.468 . 0 0 "[ . 1 . 2]" 1
383 1 30 GLY HA3 1 91 TRP HA . . 4.710 3.966 3.580 4.327 . 0 0 "[ . 1 . 2]" 1
384 1 30 GLY HA3 1 91 TRP HD1 . . 3.870 2.564 2.102 2.861 . 0 0 "[ . 1 . 2]" 1
385 1 30 GLY HA3 1 91 TRP HE1 . . 4.620 3.073 2.626 3.779 . 0 0 "[ . 1 . 2]" 1
386 1 31 ASP H 1 31 ASP HB3 . . 3.620 2.988 2.389 3.564 . 0 0 "[ . 1 . 2]" 1
387 1 31 ASP H 1 35 GLY H . . 4.940 4.012 3.204 5.029 0.089 11 0 "[ . 1 . 2]" 1
388 1 31 ASP H 1 35 GLY HA2 . . 4.680 3.110 2.412 4.759 0.079 11 0 "[ . 1 . 2]" 1
389 1 31 ASP H 1 35 GLY HA3 . . 4.560 2.560 2.191 4.528 . 0 0 "[ . 1 . 2]" 1
390 1 31 ASP H 1 89 ASP HB3 . . 3.840 2.341 1.772 4.199 0.359 16 0 "[ . 1 . 2]" 1
391 1 31 ASP H 1 91 TRP HD1 . . 4.060 3.890 3.495 4.177 0.117 11 0 "[ . 1 . 2]" 1
392 1 31 ASP H 1 91 TRP HE1 . . 4.450 3.273 2.837 3.986 . 0 0 "[ . 1 . 2]" 1
393 1 31 ASP HA 1 32 ALA H . . 2.770 2.385 2.184 2.852 0.082 17 0 "[ . 1 . 2]" 1
394 1 31 ASP HA 1 32 ALA MB . . 4.180 4.081 3.922 4.181 0.001 13 0 "[ . 1 . 2]" 1
395 1 31 ASP HA 1 33 ARG H . . 4.050 3.940 3.660 4.127 0.077 17 0 "[ . 1 . 2]" 1
396 1 31 ASP HB3 1 32 ALA H . . 4.430 3.932 3.543 4.441 0.011 11 0 "[ . 1 . 2]" 1
397 1 31 ASP HB3 1 33 ARG H . . 4.890 3.208 2.827 4.169 . 0 0 "[ . 1 . 2]" 1
398 1 31 ASP HB3 1 35 GLY H . . 4.260 2.623 2.144 3.804 . 0 0 "[ . 1 . 2]" 1
399 1 31 ASP HB3 1 35 GLY HA2 . . 4.190 3.349 2.596 4.208 0.018 16 0 "[ . 1 . 2]" 1
400 1 31 ASP HB3 1 91 TRP HE1 . . 5.430 4.293 3.929 5.173 . 0 0 "[ . 1 . 2]" 1
401 1 32 ALA H 1 32 ALA MB . . 2.850 2.333 2.167 2.751 . 0 0 "[ . 1 . 2]" 1
402 1 32 ALA H 1 33 ARG H . . 3.660 2.845 2.567 3.397 . 0 0 "[ . 1 . 2]" 1
403 1 32 ALA H 1 34 ALA H . . 5.030 4.422 3.991 4.970 . 0 0 "[ . 1 . 2]" 1
404 1 32 ALA H 1 35 GLY H . . 5.500 4.925 4.305 5.522 0.022 1 0 "[ . 1 . 2]" 1
405 1 32 ALA H 1 91 TRP HE1 . . 5.230 3.861 2.217 4.528 . 0 0 "[ . 1 . 2]" 1
406 1 32 ALA H 1 91 TRP HZ2 . . 4.960 3.571 2.490 4.333 . 0 0 "[ . 1 . 2]" 1
407 1 32 ALA HA 1 91 TRP HE1 . . 3.910 3.144 2.855 3.692 . 0 0 "[ . 1 . 2]" 1
408 1 32 ALA HA 1 91 TRP HZ2 . . 2.640 2.155 2.022 2.687 0.047 5 0 "[ . 1 . 2]" 1
409 1 32 ALA MB 1 33 ARG H . . 3.330 3.036 2.822 3.227 . 0 0 "[ . 1 . 2]" 1
410 1 32 ALA MB 1 33 ARG HA . . 4.390 4.144 3.843 4.367 . 0 0 "[ . 1 . 2]" 1
411 1 32 ALA MB 1 34 ALA H . . 5.260 4.826 4.598 5.086 . 0 0 "[ . 1 . 2]" 1
412 1 32 ALA MB 1 91 TRP HE1 . . 4.820 4.458 4.111 4.841 0.021 5 0 "[ . 1 . 2]" 1
413 1 32 ALA MB 1 91 TRP HZ2 . . 3.320 2.803 2.442 3.408 0.088 5 0 "[ . 1 . 2]" 1
414 1 33 ARG H 1 34 ALA H . . 3.230 2.218 1.863 2.698 . 0 0 "[ . 1 . 2]" 1
415 1 33 ARG H 1 34 ALA MB . . 4.470 4.178 3.830 4.567 0.097 20 0 "[ . 1 . 2]" 1
416 1 33 ARG H 1 35 GLY H . . 4.060 3.722 3.130 4.123 0.063 1 0 "[ . 1 . 2]" 1
417 1 33 ARG HA 1 33 ARG HG3 . . 3.720 2.757 2.164 3.542 . 0 0 "[ . 1 . 2]" 1
418 1 33 ARG HA 1 34 ALA MB . . 5.140 4.559 4.007 4.860 . 0 0 "[ . 1 . 2]" 1
419 1 33 ARG HA 1 35 GLY H . . 5.000 4.635 4.066 5.094 0.094 11 0 "[ . 1 . 2]" 1
420 1 34 ALA H 1 34 ALA MB . . 3.040 2.509 2.321 2.657 . 0 0 "[ . 1 . 2]" 1
421 1 34 ALA H 1 35 GLY H . . 3.230 2.494 1.872 2.929 . 0 0 "[ . 1 . 2]" 1
422 1 34 ALA H 1 35 GLY HA3 . . 4.350 4.376 4.006 4.427 0.077 9 0 "[ . 1 . 2]" 1
423 1 34 ALA MB 1 35 GLY H . . 3.810 3.625 3.236 3.749 . 0 0 "[ . 1 . 2]" 1
424 1 34 ALA MB 1 35 GLY HA2 . . 5.250 4.279 4.048 4.576 . 0 0 "[ . 1 . 2]" 1
425 1 35 GLY H 1 36 ALA H . . 4.580 4.480 4.261 4.631 0.051 19 0 "[ . 1 . 2]" 1
426 1 35 GLY H 1 37 VAL QG . . 5.500 5.109 4.630 5.475 . 0 0 "[ . 1 . 2]" 1
427 1 35 GLY H 1 91 TRP HE1 . . 4.380 3.653 3.174 4.382 0.002 9 0 "[ . 1 . 2]" 1
428 1 35 GLY HA2 1 36 ALA H . . 3.400 2.187 1.992 2.308 . 0 0 "[ . 1 . 2]" 1
429 1 35 GLY HA2 1 91 TRP HE1 . . 4.630 4.479 4.032 4.720 0.090 11 0 "[ . 1 . 2]" 1
430 1 35 GLY HA3 1 36 ALA H . . 3.130 3.018 2.477 3.167 0.037 6 0 "[ . 1 . 2]" 1
431 1 35 GLY HA3 1 89 ASP HB3 . . 4.550 3.993 3.182 5.092 0.542 16 3 "[ . * -1 .+ 2]" 1
432 1 35 GLY HA3 1 91 TRP H . . 5.500 4.674 4.234 4.914 . 0 0 "[ . 1 . 2]" 1
433 1 35 GLY HA3 1 91 TRP HD1 . . 3.230 2.680 2.287 3.107 . 0 0 "[ . 1 . 2]" 1
434 1 35 GLY HA3 1 91 TRP HE1 . . 4.290 2.780 2.409 3.347 . 0 0 "[ . 1 . 2]" 1
435 1 36 ALA H 1 36 ALA MB . . 2.880 2.274 2.187 2.399 . 0 0 "[ . 1 . 2]" 1
436 1 36 ALA H 1 90 ILE HA . . 4.000 2.842 2.442 3.179 . 0 0 "[ . 1 . 2]" 1
437 1 36 ALA H 1 90 ILE HB . . 5.130 4.211 3.476 4.655 . 0 0 "[ . 1 . 2]" 1
438 1 36 ALA H 1 90 ILE MD . . 4.870 4.769 4.376 4.966 0.096 18 0 "[ . 1 . 2]" 1
439 1 36 ALA H 1 91 TRP H . . 4.420 4.243 3.814 4.480 0.060 2 0 "[ . 1 . 2]" 1
440 1 36 ALA H 1 91 TRP HD1 . . 4.810 4.000 3.710 4.205 . 0 0 "[ . 1 . 2]" 1
441 1 36 ALA H 1 91 TRP HE1 . . 5.500 5.507 5.208 5.591 0.091 9 0 "[ . 1 . 2]" 1
442 1 36 ALA HA 1 37 VAL H . . 2.800 2.517 2.434 2.606 . 0 0 "[ . 1 . 2]" 1
443 1 36 ALA HA 1 37 VAL HB . . 4.980 4.651 4.261 4.861 . 0 0 "[ . 1 . 2]" 1
444 1 36 ALA HA 1 37 VAL QG . . 4.230 3.022 2.714 3.289 . 0 0 "[ . 1 . 2]" 1
445 1 36 ALA MB 1 37 VAL H . . 3.060 2.473 2.201 2.846 . 0 0 "[ . 1 . 2]" 1
446 1 36 ALA MB 1 37 VAL QG . . 4.560 3.811 3.583 3.975 . 0 0 "[ . 1 . 2]" 1
447 1 36 ALA MB 1 54 GLU H . . 4.840 4.409 4.035 4.895 0.055 3 0 "[ . 1 . 2]" 1
448 1 36 ALA MB 1 90 ILE H . . 5.140 4.991 4.555 5.232 0.092 4 0 "[ . 1 . 2]" 1
449 1 36 ALA MB 1 90 ILE HB . . 3.740 3.095 2.437 3.714 . 0 0 "[ . 1 . 2]" 1
450 1 36 ALA MB 1 90 ILE MD . . 3.280 2.697 2.223 3.025 . 0 0 "[ . 1 . 2]" 1
451 1 36 ALA MB 1 91 TRP H . . 4.380 3.959 3.639 4.112 . 0 0 "[ . 1 . 2]" 1
452 1 37 VAL H 1 37 VAL HB . . 3.280 2.994 2.566 3.379 0.099 5 0 "[ . 1 . 2]" 1
453 1 37 VAL H 1 37 VAL QG . . 3.360 2.484 2.032 2.934 . 0 0 "[ . 1 . 2]" 1
454 1 37 VAL H 1 38 LEU H . . 4.540 4.358 4.207 4.487 . 0 0 "[ . 1 . 2]" 1
455 1 37 VAL H 1 54 GLU H . . 5.500 3.786 3.075 4.821 . 0 0 "[ . 1 . 2]" 1
456 1 37 VAL H 1 54 GLU HB3 . . 4.680 3.441 2.436 4.842 0.162 9 0 "[ . 1 . 2]" 1
457 1 37 VAL H 1 64 TRP HH2 . . 5.210 4.412 3.824 4.973 . 0 0 "[ . 1 . 2]" 1
458 1 37 VAL H 1 90 ILE HA . . 5.500 5.036 4.564 5.380 . 0 0 "[ . 1 . 2]" 1
459 1 37 VAL H 1 90 ILE MD . . 5.240 4.182 3.539 4.885 . 0 0 "[ . 1 . 2]" 1
460 1 37 VAL H 1 91 TRP H . . 5.500 4.383 4.151 4.675 . 0 0 "[ . 1 . 2]" 1
461 1 37 VAL H 1 91 TRP HB3 . . 5.400 6.336 5.849 6.710 1.310 9 18 "[****. **+********-**]" 1
462 1 37 VAL HA 1 37 VAL QG . . 3.140 2.305 2.153 2.535 . 0 0 "[ . 1 . 2]" 1
463 1 37 VAL HA 1 38 LEU H . . 3.420 2.219 2.148 2.339 . 0 0 "[ . 1 . 2]" 1
464 1 37 VAL HA 1 91 TRP H . . 4.150 2.384 2.094 2.746 . 0 0 "[ . 1 . 2]" 1
465 1 37 VAL HA 1 91 TRP HB3 . . 3.780 3.657 3.334 3.843 0.063 9 0 "[ . 1 . 2]" 1
466 1 37 VAL HB 1 38 LEU H . . 4.970 3.919 3.554 4.319 . 0 0 "[ . 1 . 2]" 1
467 1 37 VAL HB 1 64 TRP HH2 . . 3.130 2.611 1.985 3.244 0.114 5 0 "[ . 1 . 2]" 1
468 1 37 VAL HB 1 64 TRP HZ3 . . 5.210 3.918 2.859 4.470 . 0 0 "[ . 1 . 2]" 1
469 1 37 VAL HB 1 91 TRP HB3 . . 4.740 4.711 2.963 6.154 1.414 9 12 "[* * . **+1 ***-* **]" 1
470 1 37 VAL QG 1 38 LEU H . . 3.360 2.498 2.158 2.923 . 0 0 "[ . 1 . 2]" 1
471 1 37 VAL QG 1 38 LEU HA . . 4.530 3.489 2.993 3.877 . 0 0 "[ . 1 . 2]" 1
472 1 37 VAL QG 1 64 TRP HH2 . . 3.470 2.086 1.732 2.546 . 0 0 "[ . 1 . 2]" 1
473 1 37 VAL QG 1 64 TRP HZ2 . . 4.950 3.422 2.751 3.916 . 0 0 "[ . 1 . 2]" 1
474 1 37 VAL QG 1 91 TRP H . . 3.860 3.483 3.195 3.720 . 0 0 "[ . 1 . 2]" 1
475 1 37 VAL QG 1 91 TRP HB3 . . 3.180 2.932 2.546 3.277 0.097 9 0 "[ . 1 . 2]" 1
476 1 37 VAL QG 1 91 TRP HD1 . . 4.300 3.457 2.909 4.044 . 0 0 "[ . 1 . 2]" 1
477 1 37 VAL QG 1 91 TRP HE1 . . 5.500 4.697 4.172 5.252 . 0 0 "[ . 1 . 2]" 1
478 1 37 VAL QG 1 92 VAL HA . . 4.470 4.050 3.494 4.444 . 0 0 "[ . 1 . 2]" 1
479 1 37 VAL QG 1 93 VAL H . . 4.520 3.780 3.081 4.475 . 0 0 "[ . 1 . 2]" 1
480 1 38 LEU H 1 38 LEU QD . . 4.760 3.281 2.586 3.798 . 0 0 "[ . 1 . 2]" 1
481 1 38 LEU H 1 38 LEU HG . . 4.240 3.531 2.841 4.331 0.091 17 0 "[ . 1 . 2]" 1
482 1 38 LEU H 1 90 ILE MD . . 4.410 4.073 3.669 4.432 0.022 20 0 "[ . 1 . 2]" 1
483 1 38 LEU H 1 92 VAL HA . . 4.170 3.026 2.752 3.407 . 0 0 "[ . 1 . 2]" 1
484 1 38 LEU HA 1 38 LEU QD . . 2.950 2.086 1.981 2.203 . 0 0 "[ . 1 . 2]" 1
485 1 38 LEU HA 1 38 LEU HG . . 4.180 3.053 2.694 3.465 . 0 0 "[ . 1 . 2]" 1
486 1 38 LEU HA 1 39 VAL H . . 2.940 2.195 2.091 2.349 . 0 0 "[ . 1 . 2]" 1
487 1 38 LEU HA 1 39 VAL HB . . 4.740 4.628 3.839 4.812 0.072 6 0 "[ . 1 . 2]" 1
488 1 38 LEU HA 1 39 VAL MG2 . . 4.240 3.776 3.573 4.058 . 0 0 "[ . 1 . 2]" 1
489 1 38 LEU HA 1 53 SER HA . . 3.630 2.622 2.224 2.965 . 0 0 "[ . 1 . 2]" 1
490 1 38 LEU HA 1 64 TRP HZ3 . . 4.160 3.194 2.573 3.956 . 0 0 "[ . 1 . 2]" 1
491 1 38 LEU HA 1 90 ILE MD . . 5.020 4.479 4.041 4.874 . 0 0 "[ . 1 . 2]" 1
492 1 38 LEU HB3 1 38 LEU QD . . 2.950 2.238 2.081 2.644 . 0 0 "[ . 1 . 2]" 1
493 1 38 LEU HB3 1 39 VAL H . . 4.180 3.016 2.550 3.719 . 0 0 "[ . 1 . 2]" 1
494 1 38 LEU HB3 1 92 VAL HA . . 4.110 3.893 3.216 4.180 0.070 10 0 "[ . 1 . 2]" 1
495 1 38 LEU HB3 1 93 VAL H . . 4.950 4.250 3.699 4.751 . 0 0 "[ . 1 . 2]" 1
496 1 38 LEU QD 1 39 VAL H . . 4.530 3.441 2.738 3.904 . 0 0 "[ . 1 . 2]" 1
497 1 38 LEU QD 1 52 PHE H . . 5.260 4.608 4.037 5.088 . 0 0 "[ . 1 . 2]" 1
498 1 38 LEU QD 1 53 SER H . . 4.740 4.385 4.025 4.766 0.026 6 0 "[ . 1 . 2]" 1
499 1 38 LEU QD 1 53 SER HA . . 3.280 2.299 2.031 2.959 . 0 0 "[ . 1 . 2]" 1
500 1 38 LEU QD 1 53 SER HB3 . . 3.370 3.635 2.798 3.987 0.617 20 2 "[ . 1 . - +]" 1
501 1 38 LEU QD 1 53 SER HG . . 3.200 2.071 1.672 2.782 . 0 0 "[ . 1 . 2]" 1
502 1 38 LEU QD 1 54 GLU H . . 4.250 3.420 3.063 3.978 . 0 0 "[ . 1 . 2]" 1
503 1 38 LEU QD 1 64 TRP HZ3 . . 5.360 4.087 3.510 4.578 . 0 0 "[ . 1 . 2]" 1
504 1 38 LEU QD 1 79 TYR QD . . 3.850 2.360 2.025 2.953 . 0 0 "[ . 1 . 2]" 1
505 1 38 LEU QD 1 79 TYR QE . . 3.140 2.004 1.880 2.094 . 0 0 "[ . 1 . 2]" 1
506 1 38 LEU QD 1 80 ALA HA . . 3.070 2.075 1.956 2.260 . 0 0 "[ . 1 . 2]" 1
507 1 38 LEU QD 1 81 GLU H . . 5.030 4.827 4.602 5.027 . 0 0 "[ . 1 . 2]" 1
508 1 38 LEU QD 1 90 ILE MD . . 3.200 2.228 1.763 2.819 . 0 0 "[ . 1 . 2]" 1
509 1 38 LEU HG 1 90 ILE MD . . 3.860 2.801 2.093 3.974 0.114 18 0 "[ . 1 . 2]" 1
510 1 39 VAL H 1 39 VAL HB . . 3.450 2.751 2.387 2.928 . 0 0 "[ . 1 . 2]" 1
511 1 39 VAL H 1 39 VAL MG1 . . 4.180 3.906 3.581 4.004 . 0 0 "[ . 1 . 2]" 1
512 1 39 VAL H 1 39 VAL MG2 . . 3.520 2.970 2.751 3.148 . 0 0 "[ . 1 . 2]" 1
513 1 39 VAL H 1 40 LYS H . . 5.280 4.009 3.745 4.354 . 0 0 "[ . 1 . 2]" 1
514 1 39 VAL H 1 52 PHE H . . 4.150 3.251 3.000 3.608 . 0 0 "[ . 1 . 2]" 1
515 1 39 VAL H 1 52 PHE HB3 . . 5.140 4.459 4.188 5.192 0.052 15 0 "[ . 1 . 2]" 1
516 1 39 VAL H 1 52 PHE QD . . 5.260 4.737 4.258 5.348 0.088 15 0 "[ . 1 . 2]" 1
517 1 39 VAL H 1 53 SER HA . . 4.320 3.530 3.194 3.772 . 0 0 "[ . 1 . 2]" 1
518 1 39 VAL H 1 53 SER HG . . 5.500 5.503 4.597 5.586 0.086 7 0 "[ . 1 . 2]" 1
519 1 39 VAL H 1 64 TRP HZ3 . . 4.630 3.572 2.869 4.051 . 0 0 "[ . 1 . 2]" 1
520 1 39 VAL H 1 93 VAL H . . 5.260 4.878 4.659 5.202 . 0 0 "[ . 1 . 2]" 1
521 1 39 VAL HA 1 39 VAL MG1 . . 3.210 2.395 2.310 2.563 . 0 0 "[ . 1 . 2]" 1
522 1 39 VAL HA 1 39 VAL MG2 . . 3.160 2.447 2.303 2.573 . 0 0 "[ . 1 . 2]" 1
523 1 39 VAL HA 1 40 LYS H . . 2.920 2.212 2.113 2.353 . 0 0 "[ . 1 . 2]" 1
524 1 39 VAL HA 1 93 VAL H . . 4.120 3.140 2.636 3.648 . 0 0 "[ . 1 . 2]" 1
525 1 39 VAL HA 1 93 VAL HB . . 3.490 2.594 2.104 3.212 . 0 0 "[ . 1 . 2]" 1
526 1 39 VAL HB 1 52 PHE H . . 4.570 3.879 3.322 4.239 . 0 0 "[ . 1 . 2]" 1
527 1 39 VAL HB 1 52 PHE HB3 . . 3.990 3.764 3.495 3.889 . 0 0 "[ . 1 . 2]" 1
528 1 39 VAL HB 1 52 PHE QD . . 4.050 3.164 2.626 3.895 . 0 0 "[ . 1 . 2]" 1
529 1 39 VAL HB 1 64 TRP HZ3 . . 4.760 4.128 3.338 4.759 . 0 0 "[ . 1 . 2]" 1
530 1 39 VAL HB 1 104 LEU QD . . 4.290 2.839 2.464 3.628 . 0 0 "[ . 1 . 2]" 1
531 1 39 VAL MG1 1 40 LYS H . . 3.390 3.174 2.504 3.458 0.068 4 0 "[ . 1 . 2]" 1
532 1 39 VAL MG1 1 52 PHE HB3 . . 5.090 4.782 3.814 5.145 0.055 2 0 "[ . 1 . 2]" 1
533 1 39 VAL MG1 1 52 PHE QD . . 3.730 2.823 2.033 3.480 . 0 0 "[ . 1 . 2]" 1
534 1 39 VAL MG1 1 93 VAL HB . . 4.070 3.191 2.366 4.157 0.087 15 0 "[ . 1 . 2]" 1
535 1 39 VAL MG1 1 102 HIS HA . . 5.130 3.833 3.137 4.644 . 0 0 "[ . 1 . 2]" 1
536 1 39 VAL MG1 1 104 LEU QD . . 4.090 2.061 1.807 2.376 . 0 0 "[ . 1 . 2]" 1
537 1 39 VAL MG2 1 40 LYS H . . 4.580 4.237 3.942 4.412 . 0 0 "[ . 1 . 2]" 1
538 1 39 VAL MG2 1 52 PHE HB3 . . 4.770 4.652 4.321 4.862 0.092 19 0 "[ . 1 . 2]" 1
539 1 39 VAL MG2 1 64 TRP HH2 . . 3.840 2.755 2.247 3.064 . 0 0 "[ . 1 . 2]" 1
540 1 39 VAL MG2 1 64 TRP HZ2 . . 4.510 3.339 2.733 3.887 . 0 0 "[ . 1 . 2]" 1
541 1 39 VAL MG2 1 64 TRP HZ3 . . 3.760 2.897 2.493 3.428 . 0 0 "[ . 1 . 2]" 1
542 1 39 VAL MG2 1 93 VAL H . . 4.800 4.088 3.434 4.858 0.058 3 0 "[ . 1 . 2]" 1
543 1 39 VAL MG2 1 93 VAL HB . . 3.410 2.538 2.078 3.475 0.065 3 0 "[ . 1 . 2]" 1
544 1 39 VAL MG2 1 104 LEU QD . . 3.510 2.085 1.814 3.046 . 0 0 "[ . 1 . 2]" 1
545 1 40 LYS H 1 40 LYS HB3 . . 3.670 2.421 2.239 2.752 . 0 0 "[ . 1 . 2]" 1
546 1 40 LYS H 1 93 VAL H . . 4.250 3.753 3.505 4.112 . 0 0 "[ . 1 . 2]" 1
547 1 40 LYS H 1 94 GLU HA . . 3.990 3.251 2.803 3.851 . 0 0 "[ . 1 . 2]" 1
548 1 40 LYS HA 1 40 LYS HD3 . . 5.430 4.500 3.791 4.788 . 0 0 "[ . 1 . 2]" 1
549 1 40 LYS HA 1 40 LYS HE3 . . 5.070 5.322 4.757 5.923 0.853 1 5 "[+ * .** -1 . 2]" 1
550 1 40 LYS HA 1 40 LYS HG3 . . 3.910 2.907 2.535 3.742 . 0 0 "[ . 1 . 2]" 1
551 1 40 LYS HA 1 41 ALA H . . 3.010 2.269 2.144 2.401 . 0 0 "[ . 1 . 2]" 1
552 1 40 LYS HA 1 52 PHE H . . 2.830 2.914 2.838 2.929 0.099 16 0 "[ . 1 . 2]" 1
553 1 40 LYS HB3 1 40 LYS HE3 . . 4.620 4.456 3.981 4.687 0.067 2 0 "[ . 1 . 2]" 1
554 1 40 LYS HB3 1 51 LEU MD2 . . 4.000 4.083 3.824 4.111 0.111 7 0 "[ . 1 . 2]" 1
555 1 40 LYS HB3 1 94 GLU HA . . 4.000 3.055 2.112 3.878 . 0 0 "[ . 1 . 2]" 1
556 1 40 LYS HE3 1 42 VAL QG . . 4.030 2.980 2.068 4.063 0.033 12 0 "[ . 1 . 2]" 1
557 1 40 LYS HE3 1 51 LEU HG . . 5.080 5.050 4.448 6.158 1.078 6 4 "[ * .+ -1 . *]" 1
558 1 40 LYS HG3 1 41 ALA H . . 4.020 3.427 2.044 5.343 1.323 20 4 "[ . * * - +]" 1
559 1 40 LYS HG3 1 50 ARG H . . 5.070 4.598 3.357 5.964 0.894 9 4 "[ * . +1 * . -]" 1
560 1 41 ALA H 1 41 ALA MB . . 3.070 2.537 2.295 2.820 . 0 0 "[ . 1 . 2]" 1
561 1 41 ALA H 1 50 ARG H . . 3.840 3.327 2.851 3.892 0.052 10 0 "[ . 1 . 2]" 1
562 1 41 ALA H 1 51 LEU H . . 5.500 4.833 4.457 5.117 . 0 0 "[ . 1 . 2]" 1
563 1 41 ALA H 1 51 LEU HA . . 4.140 3.253 2.907 3.737 . 0 0 "[ . 1 . 2]" 1
564 1 41 ALA H 1 52 PHE H . . 5.410 4.426 3.714 4.863 . 0 0 "[ . 1 . 2]" 1
565 1 41 ALA H 1 52 PHE QD . . 5.500 4.388 3.405 5.557 0.057 13 0 "[ . 1 . 2]" 1
566 1 41 ALA H 1 52 PHE QE . . 5.480 4.516 3.634 5.554 0.074 13 0 "[ . 1 . 2]" 1
567 1 41 ALA HA 1 42 VAL H . . 3.220 2.276 2.149 2.739 . 0 0 "[ . 1 . 2]" 1
568 1 41 ALA HA 1 95 ILE HB . . 3.520 2.502 2.254 3.304 . 0 0 "[ . 1 . 2]" 1
569 1 41 ALA HA 1 95 ILE MG . . 4.580 3.868 3.216 4.563 . 0 0 "[ . 1 . 2]" 1
570 1 41 ALA MB 1 42 VAL H . . 3.520 3.085 2.214 3.610 0.090 16 0 "[ . 1 . 2]" 1
571 1 41 ALA MB 1 50 ARG H . . 3.980 3.787 3.269 4.086 0.106 16 0 "[ . 1 . 2]" 1
572 1 41 ALA MB 1 52 PHE QE . . 3.460 2.669 2.045 3.592 0.132 13 0 "[ . 1 . 2]" 1
573 1 41 ALA MB 1 95 ILE HB . . 3.870 3.001 2.285 3.780 . 0 0 "[ . 1 . 2]" 1
574 1 41 ALA MB 1 102 HIS H . . 5.040 4.367 3.839 4.913 . 0 0 "[ . 1 . 2]" 1
575 1 41 ALA MB 1 102 HIS HA . . 3.440 2.774 2.179 3.532 0.092 15 0 "[ . 1 . 2]" 1
576 1 41 ALA MB 1 102 HIS HB3 . . 3.920 2.924 2.312 4.016 0.096 15 0 "[ . 1 . 2]" 1
577 1 41 ALA MB 1 102 HIS HD2 . . 4.720 4.100 2.005 4.825 0.105 14 0 "[ . 1 . 2]" 1
578 1 42 VAL H 1 42 VAL HB . . 3.250 2.610 2.256 2.991 . 0 0 "[ . 1 . 2]" 1
579 1 42 VAL H 1 42 VAL QG . . 3.810 2.532 2.296 2.799 . 0 0 "[ . 1 . 2]" 1
580 1 42 VAL H 1 43 ASP H . . 5.320 4.411 3.970 4.738 . 0 0 "[ . 1 . 2]" 1
581 1 42 VAL H 1 49 ALA HA . . 5.170 4.955 4.687 5.219 0.049 6 0 "[ . 1 . 2]" 1
582 1 42 VAL H 1 95 ILE HB . . 4.370 3.830 3.125 4.445 0.075 18 0 "[ . 1 . 2]" 1
583 1 42 VAL H 1 96 GLU HA . . 3.670 3.081 2.616 3.581 . 0 0 "[ . 1 . 2]" 1
584 1 42 VAL H 1 97 ASP H . . 5.090 3.266 2.809 3.727 . 0 0 "[ . 1 . 2]" 1
585 1 42 VAL HA 1 42 VAL QG . . 3.080 2.158 2.089 2.228 . 0 0 "[ . 1 . 2]" 1
586 1 42 VAL HA 1 43 ASP H . . 3.000 2.269 2.063 2.558 . 0 0 "[ . 1 . 2]" 1
587 1 42 VAL HA 1 49 ALA HA . . 3.070 2.211 2.011 2.467 . 0 0 "[ . 1 . 2]" 1
588 1 42 VAL HA 1 49 ALA MB . . 3.350 2.886 2.366 3.440 0.090 6 0 "[ . 1 . 2]" 1
589 1 42 VAL HA 1 50 ARG H . . 4.130 3.148 2.755 3.525 . 0 0 "[ . 1 . 2]" 1
590 1 42 VAL HB 1 43 ASP H . . 4.760 4.151 3.640 4.411 . 0 0 "[ . 1 . 2]" 1
591 1 42 VAL HB 1 96 GLU HA . . 3.050 2.720 2.246 3.087 0.037 6 0 "[ . 1 . 2]" 1
592 1 42 VAL HB 1 97 ASP H . . 4.050 3.907 2.725 4.133 0.083 5 0 "[ . 1 . 2]" 1
593 1 42 VAL QG 1 43 ASP H . . 3.400 2.505 1.971 3.115 . 0 0 "[ . 1 . 2]" 1
594 1 42 VAL QG 1 44 ARG H . . 5.240 3.463 1.992 4.713 . 0 0 "[ . 1 . 2]" 1
595 1 42 VAL QG 1 44 ARG HA . . 4.060 3.742 3.199 4.117 0.057 7 0 "[ . 1 . 2]" 1
596 1 42 VAL QG 1 47 GLY H . . 5.500 5.091 4.569 5.484 . 0 0 "[ . 1 . 2]" 1
597 1 42 VAL QG 1 47 GLY HA2 . . 5.490 4.464 3.398 5.316 . 0 0 "[ . 1 . 2]" 1
598 1 42 VAL QG 1 48 THR H . . 4.820 4.692 4.263 4.844 0.024 20 0 "[ . 1 . 2]" 1
599 1 42 VAL QG 1 49 ALA HA . . 3.460 3.000 2.606 3.425 . 0 0 "[ . 1 . 2]" 1
600 1 42 VAL QG 1 50 ARG H . . 4.620 3.767 3.155 4.477 . 0 0 "[ . 1 . 2]" 1
601 1 42 VAL QG 1 96 GLU HA . . 4.530 2.873 1.899 3.726 . 0 0 "[ . 1 . 2]" 1
602 1 42 VAL QG 1 97 ASP H . . 5.270 3.414 1.734 4.498 . 0 0 "[ . 1 . 2]" 1
603 1 43 ASP H 1 43 ASP HB3 . . 3.840 2.943 2.382 3.683 . 0 0 "[ . 1 . 2]" 1
604 1 43 ASP H 1 48 THR H . . 4.530 3.941 3.523 4.561 0.031 10 0 "[ . 1 . 2]" 1
605 1 43 ASP H 1 49 ALA HA . . 3.590 2.623 2.241 3.048 . 0 0 "[ . 1 . 2]" 1
606 1 43 ASP H 1 49 ALA MB . . 4.040 3.621 3.040 4.125 0.085 7 0 "[ . 1 . 2]" 1
607 1 43 ASP H 1 50 ARG H . . 4.450 4.515 4.441 4.535 0.085 13 0 "[ . 1 . 2]" 1
608 1 43 ASP H 1 100 GLY QA . . 4.870 4.015 3.126 4.961 0.091 12 0 "[ . 1 . 2]" 1
609 1 43 ASP HA 1 44 ARG H . . 2.900 2.324 2.129 2.557 . 0 0 "[ . 1 . 2]" 1
610 1 43 ASP HA 1 45 ARG H . . 4.450 3.441 3.009 3.978 . 0 0 "[ . 1 . 2]" 1
611 1 43 ASP HA 1 97 ASP H . . 4.710 4.245 3.266 4.778 0.068 16 0 "[ . 1 . 2]" 1
612 1 43 ASP HA 1 100 GLY H . . 3.820 2.434 1.705 3.256 . 0 0 "[ . 1 . 2]" 1
613 1 43 ASP HA 1 100 GLY QA . . 3.610 2.659 2.131 3.273 . 0 0 "[ . 1 . 2]" 1
614 1 43 ASP HB3 1 44 ARG H . . 5.270 4.293 3.862 4.513 . 0 0 "[ . 1 . 2]" 1
615 1 43 ASP HB3 1 45 ARG H . . 5.500 3.917 2.777 4.758 . 0 0 "[ . 1 . 2]" 1
616 1 43 ASP HB3 1 46 GLU HB3 . . 4.800 5.159 4.611 5.738 0.938 5 7 "[ -*+* ** * . 2]" 1
617 1 43 ASP HB3 1 48 THR H . . 4.380 2.721 1.908 4.064 . 0 0 "[ . 1 . 2]" 1
618 1 43 ASP HB3 1 48 THR HB . . 4.570 4.086 3.132 4.650 0.080 13 0 "[ . 1 . 2]" 1
619 1 43 ASP HB3 1 100 GLY H . . 4.090 4.373 3.473 4.980 0.890 2 7 "[ +**. * 1 * -. *2]" 1
620 1 43 ASP HB3 1 100 GLY QA . . 3.750 3.780 3.123 4.243 0.493 19 0 "[ . 1 . 2]" 1
621 1 44 ARG H 1 44 ARG HB3 . . 4.010 3.664 3.544 3.964 . 0 0 "[ . 1 . 2]" 1
622 1 44 ARG H 1 100 GLY H . . 4.890 3.882 2.976 4.802 . 0 0 "[ . 1 . 2]" 1
623 1 44 ARG HA 1 44 ARG HD3 . . 3.720 3.351 2.294 3.628 . 0 0 "[ . 1 . 2]" 1
624 1 45 ARG H 1 46 GLU H . . 3.240 2.491 2.159 3.039 . 0 0 "[ . 1 . 2]" 1
625 1 45 ARG H 1 46 GLU HG3 . . 5.000 4.574 3.975 5.058 0.058 10 0 "[ . 1 . 2]" 1
626 1 45 ARG H 1 47 GLY H . . 4.120 3.408 2.688 3.958 . 0 0 "[ . 1 . 2]" 1
627 1 45 ARG H 1 98 ARG HA . . 3.730 3.247 2.584 3.803 0.073 19 0 "[ . 1 . 2]" 1
628 1 45 ARG HA 1 45 ARG HG3 . . 3.770 2.633 2.176 3.590 . 0 0 "[ . 1 . 2]" 1
629 1 46 GLU H 1 46 GLU HB3 . . 3.190 3.668 3.564 3.916 0.726 10 6 "[ * *. +*- . * 2]" 1
630 1 46 GLU H 1 46 GLU HG3 . . 3.690 2.554 2.089 3.130 . 0 0 "[ . 1 . 2]" 1
631 1 46 GLU H 1 47 GLY H . . 3.310 2.366 1.950 2.610 . 0 0 "[ . 1 . 2]" 1
632 1 46 GLU H 1 47 GLY HA2 . . 4.910 4.675 4.225 4.962 0.052 6 0 "[ . 1 . 2]" 1
633 1 46 GLU H 1 48 THR H . . 4.700 3.637 3.231 4.083 . 0 0 "[ . 1 . 2]" 1
634 1 46 GLU HA 1 46 GLU HG3 . . 3.620 3.367 3.085 3.685 0.065 12 0 "[ . 1 . 2]" 1
635 1 46 GLU HB3 1 47 GLY H . . 4.120 4.117 3.415 4.409 0.289 17 0 "[ . 1 . 2]" 1
636 1 46 GLU HB3 1 48 THR H . . 4.060 4.031 3.581 4.530 0.470 9 0 "[ . 1 . 2]" 1
637 1 46 GLU HB3 1 48 THR MG . . 3.830 3.072 2.384 4.046 0.216 11 0 "[ . 1 . 2]" 1
638 1 46 GLU HG3 1 48 THR H . . 5.060 4.922 4.263 5.130 0.070 15 0 "[ . 1 . 2]" 1
639 1 46 GLU HG3 1 48 THR MG . . 4.800 4.833 4.285 4.901 0.101 1 0 "[ . 1 . 2]" 1
640 1 47 GLY H 1 48 THR H . . 3.330 2.329 1.838 2.708 . 0 0 "[ . 1 . 2]" 1
641 1 47 GLY H 1 48 THR MG . . 4.890 4.386 3.867 4.935 0.045 8 0 "[ . 1 . 2]" 1
642 1 48 THR H 1 48 THR HB . . 4.210 3.574 3.275 3.842 . 0 0 "[ . 1 . 2]" 1
643 1 48 THR H 1 48 THR MG . . 3.460 2.914 2.536 3.190 . 0 0 "[ . 1 . 2]" 1
644 1 48 THR H 1 49 ALA H . . 4.870 4.510 4.398 4.669 . 0 0 "[ . 1 . 2]" 1
645 1 48 THR HA 1 48 THR MG . . 3.200 2.246 2.169 2.330 . 0 0 "[ . 1 . 2]" 1
646 1 48 THR HA 1 49 ALA H . . 2.910 2.502 2.125 2.684 . 0 0 "[ . 1 . 2]" 1
647 1 48 THR HB 1 49 ALA H . . 3.200 2.496 2.134 3.260 0.060 8 0 "[ . 1 . 2]" 1
648 1 48 THR MG 1 49 ALA H . . 3.730 3.496 2.910 3.831 0.101 7 0 "[ . 1 . 2]" 1
649 1 49 ALA H 1 50 ARG H . . 4.480 4.314 4.211 4.542 0.062 7 0 "[ . 1 . 2]" 1
650 1 49 ALA H 1 76 LEU QD . . 4.890 3.397 2.999 3.974 . 0 0 "[ . 1 . 2]" 1
651 1 49 ALA HA 1 50 ARG H . . 2.920 2.334 2.134 2.557 . 0 0 "[ . 1 . 2]" 1
652 1 49 ALA MB 1 50 ARG H . . 3.260 2.603 2.268 2.974 . 0 0 "[ . 1 . 2]" 1
653 1 49 ALA MB 1 73 GLU HA . . 4.110 3.339 2.876 3.942 . 0 0 "[ . 1 . 2]" 1
654 1 49 ALA MB 1 76 LEU HB3 . . 3.980 3.761 3.022 4.458 0.478 16 0 "[ . 1 . 2]" 1
655 1 49 ALA MB 1 76 LEU QD . . 3.570 1.976 1.717 2.150 . 0 0 "[ . 1 . 2]" 1
656 1 50 ARG H 1 76 LEU QD . . 3.650 3.355 2.937 3.609 . 0 0 "[ . 1 . 2]" 1
657 1 50 ARG HA 1 51 LEU H . . 3.210 2.407 2.136 2.598 . 0 0 "[ . 1 . 2]" 1
658 1 50 ARG HA 1 76 LEU QD . . 3.440 2.625 2.217 3.018 . 0 0 "[ . 1 . 2]" 1
659 1 50 ARG HB3 1 50 ARG HD3 . . 4.030 2.920 2.349 3.625 . 0 0 "[ . 1 . 2]" 1
660 1 50 ARG HB3 1 51 LEU H . . 3.720 2.724 2.218 3.773 0.053 7 0 "[ . 1 . 2]" 1
661 1 50 ARG HB3 1 52 PHE QE . . 4.450 3.420 2.485 4.989 0.539 4 1 "[ +. 1 . 2]" 1
662 1 50 ARG HB3 1 66 GLN HE21 . . 5.500 4.876 2.443 5.643 0.143 4 0 "[ . 1 . 2]" 1
663 1 50 ARG HB3 1 66 GLN HE22 . . 5.500 4.601 2.461 5.419 . 0 0 "[ . 1 . 2]" 1
664 1 50 ARG HD3 1 51 LEU H . . 5.500 4.394 2.557 5.571 0.071 14 0 "[ . 1 . 2]" 1
665 1 50 ARG HD3 1 66 GLN HE21 . . 5.260 4.571 2.836 5.243 . 0 0 "[ . 1 . 2]" 1
666 1 50 ARG HD3 1 66 GLN HE22 . . 5.500 3.709 2.133 4.779 . 0 0 "[ . 1 . 2]" 1
667 1 51 LEU H 1 51 LEU HB3 . . 3.970 3.255 2.991 3.536 . 0 0 "[ . 1 . 2]" 1
668 1 51 LEU H 1 51 LEU MD2 . . 4.680 4.563 4.385 4.762 0.082 6 0 "[ . 1 . 2]" 1
669 1 51 LEU H 1 52 PHE H . . 5.070 4.198 3.941 4.364 . 0 0 "[ . 1 . 2]" 1
670 1 51 LEU H 1 52 PHE HA . . 5.500 4.643 4.431 4.779 . 0 0 "[ . 1 . 2]" 1
671 1 51 LEU H 1 66 GLN HE22 . . 5.500 5.163 3.196 5.581 0.081 8 0 "[ . 1 . 2]" 1
672 1 51 LEU H 1 76 LEU QD . . 4.080 2.999 2.484 3.763 . 0 0 "[ . 1 . 2]" 1
673 1 51 LEU HA 1 51 LEU MD1 . . 3.870 3.658 3.471 3.811 . 0 0 "[ . 1 . 2]" 1
674 1 51 LEU HA 1 51 LEU MD2 . . 3.770 2.694 2.242 3.088 . 0 0 "[ . 1 . 2]" 1
675 1 51 LEU HA 1 51 LEU HG . . 3.830 2.274 2.069 2.580 . 0 0 "[ . 1 . 2]" 1
676 1 51 LEU HA 1 52 PHE H . . 3.060 2.163 2.047 2.297 . 0 0 "[ . 1 . 2]" 1
677 1 51 LEU HA 1 52 PHE QD . . 4.930 4.148 3.082 4.811 . 0 0 "[ . 1 . 2]" 1
678 1 51 LEU HB3 1 51 LEU MD2 . . 3.300 2.426 2.205 2.640 . 0 0 "[ . 1 . 2]" 1
679 1 51 LEU HB3 1 52 PHE H . . 5.000 3.804 3.150 4.137 . 0 0 "[ . 1 . 2]" 1
680 1 51 LEU HB3 1 76 LEU QD . . 4.100 3.066 2.383 3.521 . 0 0 "[ . 1 . 2]" 1
681 1 51 LEU MD1 1 79 TYR H . . 5.060 3.533 3.351 3.812 . 0 0 "[ . 1 . 2]" 1
682 1 51 LEU MD1 1 79 TYR HB3 . . 4.740 2.031 1.918 2.384 . 0 0 "[ . 1 . 2]" 1
683 1 51 LEU MD1 1 79 TYR QD . . 2.830 2.943 2.919 2.964 0.134 19 0 "[ . 1 . 2]" 1
684 1 51 LEU MD1 1 80 ALA H . . 4.560 2.982 2.615 3.479 . 0 0 "[ . 1 . 2]" 1
685 1 51 LEU MD2 1 52 PHE H . . 4.160 2.364 1.998 2.753 . 0 0 "[ . 1 . 2]" 1
686 1 51 LEU MD2 1 53 SER H . . 5.410 4.607 4.357 4.855 . 0 0 "[ . 1 . 2]" 1
687 1 51 LEU MD2 1 53 SER HB3 . . 5.440 5.219 4.726 5.767 0.327 2 0 "[ . 1 . 2]" 1
688 1 51 LEU MD2 1 68 VAL H . . 5.390 5.163 4.518 5.473 0.083 20 0 "[ . 1 . 2]" 1
689 1 51 LEU MD2 1 68 VAL QG . . 3.950 3.148 2.632 3.555 . 0 0 "[ . 1 . 2]" 1
690 1 51 LEU MD2 1 79 TYR HB3 . . 3.830 3.173 3.007 3.277 . 0 0 "[ . 1 . 2]" 1
691 1 51 LEU MD2 1 79 TYR QD . . 3.240 2.555 2.008 3.211 . 0 0 "[ . 1 . 2]" 1
692 1 51 LEU MD2 1 79 TYR QE . . 3.810 3.586 2.975 3.930 0.120 10 0 "[ . 1 . 2]" 1
693 1 51 LEU MD2 1 80 ALA H . . 4.090 4.099 3.650 4.184 0.094 1 0 "[ . 1 . 2]" 1
694 1 51 LEU HG 1 76 LEU QD . . 5.100 3.783 3.041 4.705 . 0 0 "[ . 1 . 2]" 1
695 1 52 PHE H 1 52 PHE QD . . 3.640 3.216 2.552 3.661 0.021 19 0 "[ . 1 . 2]" 1
696 1 52 PHE H 1 53 SER H . . 4.800 4.461 4.330 4.566 . 0 0 "[ . 1 . 2]" 1
697 1 52 PHE H 1 64 TRP HE3 . . 5.500 5.411 4.985 5.580 0.080 5 0 "[ . 1 . 2]" 1
698 1 52 PHE H 1 104 LEU QD . . 5.500 5.285 4.992 5.467 . 0 0 "[ . 1 . 2]" 1
699 1 52 PHE HA 1 52 PHE QD . . 3.900 2.589 2.247 3.071 . 0 0 "[ . 1 . 2]" 1
700 1 52 PHE HA 1 53 SER H . . 3.030 2.255 2.143 2.382 . 0 0 "[ . 1 . 2]" 1
701 1 52 PHE HA 1 64 TRP HE3 . . 5.320 4.452 4.012 4.913 . 0 0 "[ . 1 . 2]" 1
702 1 52 PHE HA 1 65 MET H . . 5.020 4.776 4.463 5.077 0.057 7 0 "[ . 1 . 2]" 1
703 1 52 PHE HA 1 66 GLN HG3 . . 5.210 4.578 3.836 5.413 0.203 4 0 "[ . 1 . 2]" 1
704 1 52 PHE HA 1 67 PRO HD3 . . 4.410 4.311 4.020 4.481 0.071 3 0 "[ . 1 . 2]" 1
705 1 52 PHE HB3 1 53 SER H . . 4.260 2.817 2.459 3.142 . 0 0 "[ . 1 . 2]" 1
706 1 52 PHE HB3 1 64 TRP HE3 . . 3.250 2.727 2.171 3.115 . 0 0 "[ . 1 . 2]" 1
707 1 52 PHE HB3 1 104 LEU QD . . 4.860 3.837 3.118 4.487 . 0 0 "[ . 1 . 2]" 1
708 1 52 PHE QD 1 53 SER H . . 4.860 3.922 3.739 4.115 . 0 0 "[ . 1 . 2]" 1
709 1 52 PHE QD 1 66 GLN H . . 4.880 4.707 4.114 4.964 0.084 11 0 "[ . 1 . 2]" 1
710 1 52 PHE QD 1 66 GLN HA . . 5.340 3.794 3.368 4.062 . 0 0 "[ . 1 . 2]" 1
711 1 52 PHE QD 1 108 VAL QG . . 3.880 2.712 2.302 3.063 . 0 0 "[ . 1 . 2]" 1
712 1 52 PHE QE 1 66 GLN HE21 . . 4.770 3.129 1.917 4.849 0.079 15 0 "[ . 1 . 2]" 1
713 1 52 PHE QE 1 66 GLN HE22 . . 4.660 3.737 3.079 4.600 . 0 0 "[ . 1 . 2]" 1
714 1 52 PHE QE 1 66 GLN HG3 . . 4.540 3.391 2.432 5.067 0.527 1 1 "[+ . 1 . 2]" 1
715 1 52 PHE QE 1 102 HIS HB3 . . 5.020 2.871 2.172 4.152 . 0 0 "[ . 1 . 2]" 1
716 1 52 PHE QE 1 108 VAL QG . . 3.420 2.408 2.069 2.706 . 0 0 "[ . 1 . 2]" 1
717 1 53 SER H 1 54 GLU H . . 4.910 4.371 4.260 4.479 . 0 0 "[ . 1 . 2]" 1
718 1 53 SER H 1 64 TRP HA . . 4.840 3.901 3.661 4.130 . 0 0 "[ . 1 . 2]" 1
719 1 53 SER H 1 64 TRP HE3 . . 4.380 3.285 3.056 3.602 . 0 0 "[ . 1 . 2]" 1
720 1 53 SER H 1 65 MET H . . 3.850 3.198 2.921 3.642 . 0 0 "[ . 1 . 2]" 1
721 1 53 SER H 1 65 MET HG3 . . 4.860 3.410 2.947 4.679 . 0 0 "[ . 1 . 2]" 1
722 1 53 SER H 1 66 GLN H . . 5.500 5.059 4.784 5.439 . 0 0 "[ . 1 . 2]" 1
723 1 53 SER H 1 66 GLN HA . . 4.420 3.712 3.106 4.027 . 0 0 "[ . 1 . 2]" 1
724 1 53 SER H 1 67 PRO HD3 . . 3.930 3.368 3.140 3.654 . 0 0 "[ . 1 . 2]" 1
725 1 53 SER H 1 67 PRO HG3 . . 4.880 4.452 4.013 4.887 0.007 4 0 "[ . 1 . 2]" 1
726 1 53 SER HA 1 53 SER HG . . 3.440 2.452 2.225 2.785 . 0 0 "[ . 1 . 2]" 1
727 1 53 SER HA 1 54 GLU H . . 3.010 2.338 2.213 2.452 . 0 0 "[ . 1 . 2]" 1
728 1 53 SER HA 1 54 GLU HG3 . . 5.250 4.991 3.926 5.417 0.167 3 0 "[ . 1 . 2]" 1
729 1 53 SER HA 1 64 TRP HE3 . . 4.340 3.430 3.081 3.739 . 0 0 "[ . 1 . 2]" 1
730 1 53 SER HA 1 64 TRP HZ3 . . 3.460 3.042 2.416 3.517 0.057 4 0 "[ . 1 . 2]" 1
731 1 53 SER HB3 1 54 GLU H . . 5.090 3.481 2.792 4.112 . 0 0 "[ . 1 . 2]" 1
732 1 53 SER HB3 1 67 PRO HG3 . . 4.680 2.636 2.152 3.383 . 0 0 "[ . 1 . 2]" 1
733 1 53 SER HG 1 54 GLU H . . 4.040 2.915 2.218 4.086 0.046 14 0 "[ . 1 . 2]" 1
734 1 54 GLU H 1 54 GLU HB3 . . 3.490 2.662 2.424 3.573 0.083 9 0 "[ . 1 . 2]" 1
735 1 54 GLU H 1 54 GLU HG3 . . 3.500 2.778 2.054 3.188 . 0 0 "[ . 1 . 2]" 1
736 1 54 GLU H 1 64 TRP HA . . 5.500 4.904 4.495 5.349 . 0 0 "[ . 1 . 2]" 1
737 1 54 GLU H 1 64 TRP HH2 . . 5.070 4.855 4.348 5.130 0.060 5 0 "[ . 1 . 2]" 1
738 1 54 GLU H 1 64 TRP HZ3 . . 4.010 2.963 2.618 3.192 . 0 0 "[ . 1 . 2]" 1
739 1 54 GLU HA 1 55 ALA H . . 2.720 2.337 2.237 2.441 . 0 0 "[ . 1 . 2]" 1
740 1 54 GLU HA 1 55 ALA HA . . 4.750 4.552 4.497 4.627 . 0 0 "[ . 1 . 2]" 1
741 1 54 GLU HA 1 55 ALA MB . . 4.290 3.969 3.731 4.145 . 0 0 "[ . 1 . 2]" 1
742 1 54 GLU HA 1 64 TRP HA . . 3.400 2.845 2.378 3.448 0.048 20 0 "[ . 1 . 2]" 1
743 1 54 GLU HA 1 64 TRP HE3 . . 4.530 3.268 2.977 3.501 . 0 0 "[ . 1 . 2]" 1
744 1 54 GLU HA 1 65 MET H . . 4.180 3.647 3.386 4.242 0.062 20 0 "[ . 1 . 2]" 1
745 1 54 GLU HB3 1 64 TRP HH2 . . 5.290 3.631 2.888 5.360 0.070 9 0 "[ . 1 . 2]" 1
746 1 54 GLU HB3 1 64 TRP HZ3 . . 5.050 3.143 2.432 4.850 . 0 0 "[ . 1 . 2]" 1
747 1 55 ALA H 1 55 ALA MB . . 3.140 2.725 2.580 2.858 . 0 0 "[ . 1 . 2]" 1
748 1 55 ALA H 1 56 THR H . . 4.280 4.270 4.066 4.340 0.060 19 0 "[ . 1 . 2]" 1
749 1 55 ALA H 1 56 THR MG . . 4.610 4.353 3.936 4.708 0.098 13 0 "[ . 1 . 2]" 1
750 1 55 ALA H 1 62 ARG HG3 . . 4.280 3.000 2.499 4.349 0.069 6 0 "[ . 1 . 2]" 1
751 1 55 ALA H 1 63 PHE QD . . 5.500 4.441 4.133 4.921 . 0 0 "[ . 1 . 2]" 1
752 1 55 ALA H 1 64 TRP HA . . 4.690 4.132 3.562 4.669 . 0 0 "[ . 1 . 2]" 1
753 1 55 ALA H 1 64 TRP HE3 . . 5.500 5.470 5.217 5.580 0.080 9 0 "[ . 1 . 2]" 1
754 1 55 ALA H 1 65 MET H . . 4.710 4.354 4.067 4.778 0.068 20 0 "[ . 1 . 2]" 1
755 1 55 ALA HA 1 56 THR H . . 2.810 2.542 2.349 2.892 0.082 9 0 "[ . 1 . 2]" 1
756 1 55 ALA HA 1 56 THR MG . . 5.450 4.501 3.997 5.092 . 0 0 "[ . 1 . 2]" 1
757 1 55 ALA MB 1 56 THR H . . 2.910 2.356 1.795 2.856 . 0 0 "[ . 1 . 2]" 1
758 1 55 ALA MB 1 56 THR HA . . 4.340 3.940 3.797 4.116 . 0 0 "[ . 1 . 2]" 1
759 1 55 ALA MB 1 56 THR HB . . 5.480 5.367 5.078 5.541 0.061 7 0 "[ . 1 . 2]" 1
760 1 55 ALA MB 1 56 THR MG . . 5.370 4.634 4.398 4.835 . 0 0 "[ . 1 . 2]" 1
761 1 55 ALA MB 1 57 ARG H . . 5.180 5.093 4.721 5.275 0.095 19 0 "[ . 1 . 2]" 1
762 1 55 ALA MB 1 63 PHE H . . 5.480 3.688 3.099 4.043 . 0 0 "[ . 1 . 2]" 1
763 1 55 ALA MB 1 63 PHE QD . . 3.390 3.248 2.957 3.509 0.119 9 0 "[ . 1 . 2]" 1
764 1 55 ALA MB 1 65 MET H . . 4.620 3.520 2.756 4.024 . 0 0 "[ . 1 . 2]" 1
765 1 55 ALA MB 1 65 MET HB3 . . 5.010 3.046 2.331 4.045 . 0 0 "[ . 1 . 2]" 1
766 1 55 ALA MB 1 65 MET ME . . 3.590 2.736 2.049 3.344 . 0 0 "[ . 1 . 2]" 1
767 1 55 ALA MB 1 65 MET HG3 . . 3.690 3.533 3.039 3.861 0.171 3 0 "[ . 1 . 2]" 1
768 1 56 THR H 1 56 THR HB . . 3.940 3.595 3.316 3.909 . 0 0 "[ . 1 . 2]" 1
769 1 56 THR H 1 56 THR MG . . 4.500 3.712 3.408 4.011 . 0 0 "[ . 1 . 2]" 1
770 1 56 THR H 1 57 ARG H . . 4.950 4.288 4.204 4.396 . 0 0 "[ . 1 . 2]" 1
771 1 56 THR H 1 63 PHE QD . . 4.590 4.652 4.522 4.693 0.103 9 0 "[ . 1 . 2]" 1
772 1 56 THR HA 1 56 THR MG . . 3.070 2.183 2.118 2.239 . 0 0 "[ . 1 . 2]" 1
773 1 56 THR HA 1 57 ARG H . . 2.850 2.212 2.078 2.429 . 0 0 "[ . 1 . 2]" 1
774 1 56 THR HA 1 61 GLU H . . 5.400 4.342 3.820 4.645 . 0 0 "[ . 1 . 2]" 1
775 1 56 THR HA 1 62 ARG H . . 5.420 4.519 4.237 4.701 . 0 0 "[ . 1 . 2]" 1
776 1 56 THR HA 1 62 ARG HG3 . . 5.020 4.202 3.812 4.858 . 0 0 "[ . 1 . 2]" 1
777 1 56 THR HA 1 63 PHE H . . 3.950 3.654 3.233 3.986 0.036 4 0 "[ . 1 . 2]" 1
778 1 56 THR HA 1 63 PHE QD . . 3.800 3.023 2.820 3.312 . 0 0 "[ . 1 . 2]" 1
779 1 56 THR HB 1 57 ARG H . . 3.710 3.108 2.514 3.615 . 0 0 "[ . 1 . 2]" 1
780 1 56 THR HB 1 61 GLU H . . 5.010 4.329 3.598 5.052 0.042 5 0 "[ . 1 . 2]" 1
781 1 56 THR MG 1 57 ARG H . . 3.360 3.047 2.189 3.437 0.077 7 0 "[ . 1 . 2]" 1
782 1 56 THR MG 1 60 GLY H . . 4.470 4.217 3.750 4.549 0.079 2 0 "[ . 1 . 2]" 1
783 1 56 THR MG 1 60 GLY HA2 . . 3.340 2.709 2.420 2.944 . 0 0 "[ . 1 . 2]" 1
784 1 56 THR MG 1 60 GLY HA3 . . 3.690 3.731 3.425 3.793 0.103 19 0 "[ . 1 . 2]" 1
785 1 56 THR MG 1 61 GLU H . . 4.820 3.570 2.533 4.107 . 0 0 "[ . 1 . 2]" 1
786 1 56 THR MG 1 62 ARG H . . 4.350 3.351 3.069 3.628 . 0 0 "[ . 1 . 2]" 1
787 1 56 THR MG 1 62 ARG HB3 . . 3.680 3.845 3.551 4.283 0.603 5 3 "[ -*+ 1 . 2]" 1
788 1 56 THR MG 1 63 PHE H . . 4.300 3.978 3.735 4.319 0.019 9 0 "[ . 1 . 2]" 1
789 1 56 THR MG 1 63 PHE QD . . 4.300 4.321 3.974 4.410 0.110 5 0 "[ . 1 . 2]" 1
790 1 56 THR MG 1 63 PHE QE . . 5.280 4.734 4.370 4.993 . 0 0 "[ . 1 . 2]" 1
791 1 57 ARG H 1 57 ARG HD3 . . 5.110 4.774 4.394 5.050 . 0 0 "[ . 1 . 2]" 1
792 1 57 ARG H 1 58 GLY H . . 4.870 4.471 2.949 4.642 . 0 0 "[ . 1 . 2]" 1
793 1 57 ARG H 1 59 ASP H . . 5.090 4.398 3.940 5.125 0.035 20 0 "[ . 1 . 2]" 1
794 1 57 ARG H 1 60 GLY HA2 . . 5.220 3.990 3.203 4.430 . 0 0 "[ . 1 . 2]" 1
795 1 57 ARG H 1 61 GLU H . . 3.880 2.758 2.389 2.997 . 0 0 "[ . 1 . 2]" 1
796 1 57 ARG H 1 61 GLU HA . . 5.500 4.593 4.453 4.821 . 0 0 "[ . 1 . 2]" 1
797 1 57 ARG H 1 61 GLU HB3 . . 4.560 3.558 3.129 3.827 . 0 0 "[ . 1 . 2]" 1
798 1 57 ARG H 1 62 ARG H . . 5.500 4.895 4.617 5.082 . 0 0 "[ . 1 . 2]" 1
799 1 57 ARG H 1 62 ARG HA . . 4.420 3.792 3.462 4.224 . 0 0 "[ . 1 . 2]" 1
800 1 57 ARG H 1 63 PHE QD . . 4.080 3.459 3.104 4.038 . 0 0 "[ . 1 . 2]" 1
801 1 57 ARG HA 1 58 GLY H . . 3.270 2.614 2.332 3.304 0.034 7 0 "[ . 1 . 2]" 1
802 1 57 ARG HA 1 61 GLU H . . 4.810 4.866 4.649 4.904 0.094 7 0 "[ . 1 . 2]" 1
803 1 57 ARG HD3 1 58 GLY H . . 5.500 4.534 3.085 5.578 0.078 17 0 "[ . 1 . 2]" 1
804 1 58 GLY H 1 59 ASP H . . 3.860 2.945 2.406 3.949 0.089 4 0 "[ . 1 . 2]" 1
805 1 58 GLY H 1 60 GLY H . . 5.410 4.250 2.302 4.671 . 0 0 "[ . 1 . 2]" 1
806 1 58 GLY HA2 1 59 ASP H . . 3.520 3.467 3.258 3.578 0.058 1 0 "[ . 1 . 2]" 1
807 1 58 GLY HA2 1 60 GLY H . . 4.210 3.775 3.195 4.262 0.052 4 0 "[ . 1 . 2]" 1
808 1 58 GLY HA3 1 59 ASP H . . 3.360 3.067 2.186 3.371 0.011 10 0 "[ . 1 . 2]" 1
809 1 58 GLY HA3 1 59 ASP HA . . 4.510 4.499 4.310 4.585 0.075 8 0 "[ . 1 . 2]" 1
810 1 58 GLY HA3 1 60 GLY H . . 4.770 4.464 3.964 4.853 0.083 19 0 "[ . 1 . 2]" 1
811 1 59 ASP H 1 59 ASP HB3 . . 3.640 2.993 2.522 3.701 0.061 11 0 "[ . 1 . 2]" 1
812 1 59 ASP H 1 60 GLY H . . 3.360 2.523 2.062 2.933 . 0 0 "[ . 1 . 2]" 1
813 1 59 ASP H 1 60 GLY HA2 . . 5.140 4.717 4.184 5.148 0.008 20 0 "[ . 1 . 2]" 1
814 1 59 ASP HA 1 59 ASP HB3 . . 2.880 2.915 2.365 2.987 0.107 4 0 "[ . 1 . 2]" 1
815 1 59 ASP HA 1 60 GLY H . . 3.260 3.219 3.040 3.344 0.084 13 0 "[ . 1 . 2]" 1
816 1 59 ASP HB3 1 60 GLY H . . 4.610 3.883 3.328 4.414 . 0 0 "[ . 1 . 2]" 1
817 1 59 ASP HB3 1 61 GLU H . . 5.260 3.451 2.721 4.773 . 0 0 "[ . 1 . 2]" 1
818 1 61 GLU H 1 61 GLU HB3 . . 3.100 2.753 2.193 3.357 0.257 5 0 "[ . 1 . 2]" 1
819 1 61 GLU H 1 62 ARG H . . 4.640 4.380 3.772 4.598 . 0 0 "[ . 1 . 2]" 1
820 1 61 GLU HA 1 61 GLU HG3 . . 3.620 2.425 2.130 2.843 . 0 0 "[ . 1 . 2]" 1
821 1 61 GLU HA 1 62 ARG H . . 2.630 2.232 2.176 2.308 . 0 0 "[ . 1 . 2]" 1
822 1 61 GLU HA 1 62 ARG HB3 . . 4.630 4.650 4.460 4.764 0.134 3 0 "[ . 1 . 2]" 1
823 1 61 GLU HB3 1 62 ARG H . . 5.040 4.182 3.846 4.536 . 0 0 "[ . 1 . 2]" 1
824 1 62 ARG H 1 62 ARG HB3 . . 3.340 2.463 2.304 2.578 . 0 0 "[ . 1 . 2]" 1
825 1 62 ARG H 1 62 ARG HD3 . . 4.680 5.476 4.581 5.922 1.242 17 14 "[ * *.-* *** * **+***]" 1
826 1 62 ARG H 1 63 PHE H . . 4.640 4.631 4.564 4.713 0.073 18 0 "[ . 1 . 2]" 1
827 1 62 ARG H 1 63 PHE QD . . 5.500 4.860 4.582 5.375 . 0 0 "[ . 1 . 2]" 1
828 1 62 ARG HA 1 62 ARG HG3 . . 3.810 2.593 2.242 3.386 . 0 0 "[ . 1 . 2]" 1
829 1 62 ARG HA 1 63 PHE H . . 2.930 2.309 2.191 2.419 . 0 0 "[ . 1 . 2]" 1
830 1 62 ARG HB3 1 63 PHE H . . 4.120 3.866 3.774 3.894 . 0 0 "[ . 1 . 2]" 1
831 1 62 ARG HG3 1 63 PHE H . . 4.050 2.479 2.051 4.114 0.064 6 0 "[ . 1 . 2]" 1
832 1 63 PHE H 1 63 PHE QD . . 3.170 2.831 2.602 3.095 . 0 0 "[ . 1 . 2]" 1
833 1 63 PHE H 1 64 TRP H . . 5.310 4.343 4.239 4.478 . 0 0 "[ . 1 . 2]" 1
834 1 63 PHE H 1 65 MET H . . 5.360 5.389 5.163 5.451 0.091 19 0 "[ . 1 . 2]" 1
835 1 63 PHE HA 1 63 PHE QD . . 3.730 3.796 3.759 3.816 0.086 9 0 "[ . 1 . 2]" 1
836 1 63 PHE HA 1 64 TRP H . . 3.540 2.492 2.270 2.670 . 0 0 "[ . 1 . 2]" 1
837 1 63 PHE HA 1 64 TRP HD1 . . 5.120 4.173 3.466 5.169 0.049 13 0 "[ . 1 . 2]" 1
838 1 63 PHE HA 1 106 GLU HB3 . . 4.490 3.611 2.830 4.441 . 0 0 "[ . 1 . 2]" 1
839 1 63 PHE HA 1 107 PRO HD3 . . 5.160 4.997 4.262 5.232 0.072 5 0 "[ . 1 . 2]" 1
840 1 63 PHE HB3 1 64 TRP H . . 3.990 3.716 3.516 3.955 . 0 0 "[ . 1 . 2]" 1
841 1 63 PHE QD 1 64 TRP H . . 3.780 3.516 3.068 3.859 0.079 15 0 "[ . 1 . 2]" 1
842 1 63 PHE QD 1 65 MET HB3 . . 3.950 2.586 2.343 2.890 . 0 0 "[ . 1 . 2]" 1
843 1 63 PHE QD 1 65 MET ME . . 4.240 4.264 4.013 4.351 0.111 16 0 "[ . 1 . 2]" 1
844 1 63 PHE QD 1 109 GLU H . . 4.360 3.736 3.215 4.402 0.042 11 0 "[ . 1 . 2]" 1
845 1 63 PHE QD 1 109 GLU HG3 . . 3.940 2.899 2.202 4.036 0.096 5 0 "[ . 1 . 2]" 1
846 1 63 PHE QE 1 65 MET H . . 4.810 4.664 4.271 4.877 0.067 9 0 "[ . 1 . 2]" 1
847 1 63 PHE QE 1 65 MET HB3 . . 5.350 2.216 2.004 2.351 . 0 0 "[ . 1 . 2]" 1
848 1 64 TRP H 1 64 TRP HB3 . . 3.360 3.644 3.548 3.753 0.393 6 0 "[ . 1 . 2]" 1
849 1 64 TRP H 1 64 TRP HD1 . . 3.650 3.345 3.055 3.701 0.051 13 0 "[ . 1 . 2]" 1
850 1 64 TRP H 1 64 TRP HE1 . . 5.480 5.390 4.884 5.560 0.080 7 0 "[ . 1 . 2]" 1
851 1 64 TRP H 1 65 MET H . . 5.130 4.108 3.678 4.423 . 0 0 "[ . 1 . 2]" 1
852 1 64 TRP H 1 104 LEU QD . . 5.500 5.009 4.263 5.419 . 0 0 "[ . 1 . 2]" 1
853 1 64 TRP H 1 106 GLU HB3 . . 4.960 4.436 3.858 5.033 0.073 13 0 "[ . 1 . 2]" 1
854 1 64 TRP H 1 108 VAL H . . 5.500 4.814 4.508 5.282 . 0 0 "[ . 1 . 2]" 1
855 1 64 TRP H 1 108 VAL QG . . 5.500 3.715 3.381 4.093 . 0 0 "[ . 1 . 2]" 1
856 1 64 TRP H 1 109 GLU H . . 4.210 3.769 3.335 4.259 0.049 16 0 "[ . 1 . 2]" 1
857 1 64 TRP HA 1 64 TRP HE3 . . 3.940 2.607 2.286 2.947 . 0 0 "[ . 1 . 2]" 1
858 1 64 TRP HA 1 65 MET H . . 2.970 2.170 2.056 2.286 . 0 0 "[ . 1 . 2]" 1
859 1 64 TRP HB3 1 64 TRP HD1 . . 3.830 3.672 3.482 3.743 . 0 0 "[ . 1 . 2]" 1
860 1 64 TRP HB3 1 65 MET H . . 4.690 3.795 3.547 4.054 . 0 0 "[ . 1 . 2]" 1
861 1 64 TRP HB3 1 104 LEU QD . . 5.310 3.271 2.783 3.628 . 0 0 "[ . 1 . 2]" 1
862 1 64 TRP HB3 1 108 VAL QG . . 4.040 2.707 2.309 3.189 . 0 0 "[ . 1 . 2]" 1
863 1 64 TRP HB3 1 109 GLU H . . 4.350 4.560 4.188 4.906 0.556 18 1 "[ . 1 . + 2]" 1
864 1 64 TRP HD1 1 104 LEU HB3 . . 4.490 3.619 2.810 4.595 0.105 13 0 "[ . 1 . 2]" 1
865 1 64 TRP HD1 1 104 LEU QD . . 4.210 2.856 1.750 3.368 . 0 0 "[ . 1 . 2]" 1
866 1 64 TRP HD1 1 106 GLU H . . 4.820 3.942 3.547 4.323 . 0 0 "[ . 1 . 2]" 1
867 1 64 TRP HD1 1 106 GLU HB3 . . 4.240 2.843 2.309 4.159 . 0 0 "[ . 1 . 2]" 1
868 1 64 TRP HE1 1 104 LEU HA . . 5.500 4.898 4.393 5.372 . 0 0 "[ . 1 . 2]" 1
869 1 64 TRP HE1 1 104 LEU HB3 . . 4.840 3.203 2.160 4.913 0.073 13 0 "[ . 1 . 2]" 1
870 1 64 TRP HE1 1 104 LEU QD . . 3.670 2.571 1.875 3.508 . 0 0 "[ . 1 . 2]" 1
871 1 64 TRP HE1 1 105 THR H . . 5.500 4.370 3.492 5.299 . 0 0 "[ . 1 . 2]" 1
872 1 64 TRP HE1 1 105 THR MG . . 5.500 4.796 3.865 5.616 0.116 5 0 "[ . 1 . 2]" 1
873 1 64 TRP HE1 1 106 GLU H . . 4.350 3.898 3.012 4.416 0.066 17 0 "[ . 1 . 2]" 1
874 1 64 TRP HE1 1 106 GLU HA . . 5.500 5.133 4.689 5.510 0.010 5 0 "[ . 1 . 2]" 1
875 1 64 TRP HE1 1 106 GLU HB3 . . 4.290 3.328 2.780 3.879 . 0 0 "[ . 1 . 2]" 1
876 1 64 TRP HE1 1 106 GLU HG3 . . 4.910 3.509 1.900 4.198 . 0 0 "[ . 1 . 2]" 1
877 1 64 TRP HE1 1 108 VAL QG . . 5.500 4.907 4.333 5.432 . 0 0 "[ . 1 . 2]" 1
878 1 64 TRP HE3 1 65 MET H . . 4.610 3.917 3.431 4.221 . 0 0 "[ . 1 . 2]" 1
879 1 64 TRP HZ2 1 104 LEU QD . . 4.160 3.048 2.535 4.102 . 0 0 "[ . 1 . 2]" 1
880 1 65 MET H 1 65 MET ME . . 4.580 4.560 4.247 4.666 0.086 5 0 "[ . 1 . 2]" 1
881 1 65 MET H 1 65 MET HG3 . . 3.480 2.695 2.319 3.603 0.123 6 0 "[ . 1 . 2]" 1
882 1 65 MET H 1 66 GLN H . . 4.800 4.559 4.495 4.618 . 0 0 "[ . 1 . 2]" 1
883 1 65 MET H 1 109 GLU H . . 4.760 4.726 4.344 4.854 0.094 6 0 "[ . 1 . 2]" 1
884 1 65 MET HA 1 65 MET ME . . 4.320 4.108 3.921 4.287 . 0 0 "[ . 1 . 2]" 1
885 1 65 MET HA 1 65 MET HG3 . . 4.010 3.655 3.621 3.766 . 0 0 "[ . 1 . 2]" 1
886 1 65 MET HA 1 66 GLN H . . 3.030 2.490 2.391 2.597 . 0 0 "[ . 1 . 2]" 1
887 1 65 MET HA 1 109 GLU H . . 4.030 2.970 2.402 3.227 . 0 0 "[ . 1 . 2]" 1
888 1 65 MET HA 1 109 GLU HB3 . . 3.450 2.937 2.364 3.531 0.081 6 0 "[ . 1 . 2]" 1
889 1 65 MET HB3 1 66 GLN H . . 3.550 3.729 3.605 3.848 0.298 4 0 "[ . 1 . 2]" 1
890 1 65 MET HB3 1 66 GLN HA . . 4.580 5.802 5.736 5.847 1.267 15 20 [***-**********+*****] 1
891 1 65 MET ME 1 66 GLN H . . 3.770 3.774 3.326 3.869 0.099 14 0 "[ . 1 . 2]" 1
892 1 65 MET ME 1 67 PRO HD3 . . 4.140 4.210 4.130 4.251 0.111 12 0 "[ . 1 . 2]" 1
893 1 65 MET HG3 1 66 GLN H . . 4.220 3.610 2.887 3.970 . 0 0 "[ . 1 . 2]" 1
894 1 65 MET HG3 1 67 PRO HD3 . . 5.260 2.220 1.977 2.549 . 0 0 "[ . 1 . 2]" 1
895 1 66 GLN H 1 66 GLN HB3 . . 3.920 3.692 3.473 3.826 . 0 0 "[ . 1 . 2]" 1
896 1 66 GLN H 1 66 GLN HE21 . . 5.500 5.177 4.570 5.584 0.084 19 0 "[ . 1 . 2]" 1
897 1 66 GLN H 1 66 GLN HG3 . . 3.190 2.971 2.542 3.335 0.145 6 0 "[ . 1 . 2]" 1
898 1 66 GLN H 1 67 PRO HD3 . . 5.400 3.659 3.431 3.887 . 0 0 "[ . 1 . 2]" 1
899 1 66 GLN H 1 68 VAL H . . 5.500 5.338 5.107 5.552 0.052 15 0 "[ . 1 . 2]" 1
900 1 66 GLN H 1 108 VAL QG . . 5.500 5.268 4.735 5.490 . 0 0 "[ . 1 . 2]" 1
901 1 66 GLN HA 1 66 GLN HE21 . . 5.500 4.708 3.626 5.580 0.080 7 0 "[ . 1 . 2]" 1
902 1 66 GLN HA 1 66 GLN HG3 . . 4.090 3.281 3.016 3.704 . 0 0 "[ . 1 . 2]" 1
903 1 66 GLN HA 1 67 PRO HD3 . . 3.550 2.886 2.755 3.013 . 0 0 "[ . 1 . 2]" 1
904 1 66 GLN HA 1 67 PRO HG3 . . 4.620 4.687 4.600 4.752 0.132 19 0 "[ . 1 . 2]" 1
905 1 66 GLN HA 1 68 VAL H . . 4.950 3.353 3.047 3.589 . 0 0 "[ . 1 . 2]" 1
906 1 66 GLN HB3 1 66 GLN HE22 . . 5.150 4.074 3.177 4.525 . 0 0 "[ . 1 . 2]" 1
907 1 66 GLN HB3 1 68 VAL H . . 4.430 3.774 3.196 4.703 0.273 1 0 "[ . 1 . 2]" 1
908 1 66 GLN HE21 1 108 VAL QG . . 5.500 4.381 3.056 5.509 0.009 15 0 "[ . 1 . 2]" 1
909 1 66 GLN HE21 1 110 SER HA . . 5.040 3.492 2.107 5.111 0.071 11 0 "[ . 1 . 2]" 1
910 1 66 GLN HE22 1 66 GLN HG3 . . 3.980 3.855 3.540 4.130 0.150 1 0 "[ . 1 . 2]" 1
911 1 66 GLN HE22 1 108 VAL QG . . 5.500 4.980 4.017 5.489 . 0 0 "[ . 1 . 2]" 1
912 1 66 GLN HE22 1 110 SER HA . . 4.070 3.653 2.466 4.161 0.091 19 0 "[ . 1 . 2]" 1
913 1 67 PRO HB3 1 68 VAL H . . 4.450 4.464 4.192 4.671 0.221 1 0 "[ . 1 . 2]" 1
914 1 67 PRO HB3 1 68 VAL QG . . 4.580 5.020 4.633 5.141 0.561 12 8 "[** . * *1 +- . **]" 1
915 1 67 PRO HB3 1 79 TYR QE . . 4.330 4.404 3.953 4.984 0.654 17 3 "[ *. 1 .-+ 2]" 1
916 1 67 PRO HD3 1 68 VAL H . . 4.680 4.031 3.788 4.286 . 0 0 "[ . 1 . 2]" 1
917 1 67 PRO HG3 1 68 VAL H . . 4.110 4.371 3.943 4.839 0.729 1 5 "[+ * . 1 * . * -]" 1
918 1 67 PRO HG3 1 68 VAL QG . . 4.420 4.289 3.709 4.590 0.170 18 0 "[ . 1 . 2]" 1
919 1 67 PRO HG3 1 79 TYR QD . . 5.470 5.062 4.752 5.555 0.085 6 0 "[ . 1 . 2]" 1
920 1 67 PRO HG3 1 79 TYR QE . . 4.840 3.534 3.153 4.053 . 0 0 "[ . 1 . 2]" 1
921 1 68 VAL H 1 68 VAL HB . . 3.310 3.005 2.514 3.391 0.081 3 0 "[ . 1 . 2]" 1
922 1 68 VAL H 1 68 VAL QG . . 3.340 2.271 1.936 2.492 . 0 0 "[ . 1 . 2]" 1
923 1 68 VAL HA 1 68 VAL QG . . 2.760 2.240 2.024 2.432 . 0 0 "[ . 1 . 2]" 1
924 1 68 VAL HA 1 69 ARG H . . 2.740 2.116 1.964 2.240 . 0 0 "[ . 1 . 2]" 1
925 1 68 VAL HA 1 69 ARG HB3 . . 4.950 4.673 4.318 5.412 0.462 12 0 "[ . 1 . 2]" 1
926 1 68 VAL HB 1 79 TYR QD . . 5.150 3.849 2.401 5.246 0.096 14 0 "[ . 1 . 2]" 1
927 1 68 VAL QG 1 69 ARG H . . 3.360 3.122 2.500 3.337 . 0 0 "[ . 1 . 2]" 1
928 1 68 VAL QG 1 70 SER H . . 3.730 2.573 2.092 3.189 . 0 0 "[ . 1 . 2]" 1
929 1 68 VAL QG 1 70 SER HB3 . . 4.040 2.762 2.073 4.060 0.020 20 0 "[ . 1 . 2]" 1
930 1 68 VAL QG 1 75 ASP HB3 . . 3.760 2.783 2.171 3.388 . 0 0 "[ . 1 . 2]" 1
931 1 68 VAL QG 1 79 TYR H . . 5.160 3.903 3.548 4.435 . 0 0 "[ . 1 . 2]" 1
932 1 68 VAL QG 1 79 TYR HA . . 5.480 4.213 3.857 4.613 . 0 0 "[ . 1 . 2]" 1
933 1 68 VAL QG 1 79 TYR HB3 . . 3.590 3.013 2.391 3.573 . 0 0 "[ . 1 . 2]" 1
934 1 68 VAL QG 1 79 TYR QD . . 3.150 2.599 2.149 2.985 . 0 0 "[ . 1 . 2]" 1
935 1 68 VAL QG 1 79 TYR QE . . 3.760 3.496 2.841 3.792 0.032 3 0 "[ . 1 . 2]" 1
936 1 69 ARG H 1 69 ARG HB3 . . 3.430 2.701 2.333 3.368 . 0 0 "[ . 1 . 2]" 1
937 1 69 ARG H 1 70 SER H . . 4.180 3.345 2.252 3.970 . 0 0 "[ . 1 . 2]" 1
938 1 69 ARG HA 1 70 SER H . . 2.870 2.602 2.245 2.950 0.080 7 0 "[ . 1 . 2]" 1
939 1 69 ARG HB3 1 70 SER H . . 4.790 4.388 3.925 4.637 . 0 0 "[ . 1 . 2]" 1
940 1 70 SER H 1 70 SER HB3 . . 3.610 3.159 2.437 3.690 0.080 6 0 "[ . 1 . 2]" 1
941 1 70 SER H 1 71 THR H . . 4.410 4.275 4.034 4.483 0.073 11 0 "[ . 1 . 2]" 1
942 1 70 SER H 1 71 THR HA . . 5.500 4.666 4.445 5.159 . 0 0 "[ . 1 . 2]" 1
943 1 70 SER H 1 71 THR MG . . 5.500 5.040 3.927 5.603 0.103 9 0 "[ . 1 . 2]" 1
944 1 70 SER H 1 72 PHE H . . 5.500 5.156 4.733 5.520 0.020 2 0 "[ . 1 . 2]" 1
945 1 70 SER HA 1 71 THR H . . 2.930 2.388 2.185 2.561 . 0 0 "[ . 1 . 2]" 1
946 1 70 SER HA 1 72 PHE H . . 4.010 3.935 3.473 4.091 0.081 8 0 "[ . 1 . 2]" 1
947 1 70 SER HB3 1 71 THR H . . 4.250 3.293 2.462 4.259 0.009 5 0 "[ . 1 . 2]" 1
948 1 70 SER HB3 1 72 PHE H . . 4.760 3.016 2.003 3.627 . 0 0 "[ . 1 . 2]" 1
949 1 71 THR H 1 71 THR MG . . 3.640 2.609 2.014 3.724 0.084 19 0 "[ . 1 . 2]" 1
950 1 71 THR H 1 72 PHE H . . 3.200 2.194 1.861 2.864 . 0 0 "[ . 1 . 2]" 1
951 1 71 THR H 1 72 PHE HA . . 5.500 4.551 4.333 5.112 . 0 0 "[ . 1 . 2]" 1
952 1 71 THR H 1 72 PHE HB3 . . 5.100 5.387 4.196 6.241 1.141 5 3 "[ + 1- . *]" 1
953 1 71 THR H 1 76 LEU QD . . 5.500 4.219 3.814 4.816 . 0 0 "[ . 1 . 2]" 1
954 1 71 THR HA 1 71 THR MG . . 2.950 2.711 2.137 3.088 0.138 16 0 "[ . 1 . 2]" 1
955 1 71 THR MG 1 72 PHE H . . 5.040 3.786 2.893 4.543 . 0 0 "[ . 1 . 2]" 1
956 1 72 PHE H 1 72 PHE HB3 . . 3.500 3.412 2.816 3.618 0.118 20 0 "[ . 1 . 2]" 1
957 1 72 PHE H 1 72 PHE QD . . 4.540 3.386 2.524 4.348 . 0 0 "[ . 1 . 2]" 1
958 1 72 PHE H 1 73 GLU H . . 4.700 4.482 4.274 4.606 . 0 0 "[ . 1 . 2]" 1
959 1 72 PHE H 1 76 LEU QD . . 5.050 3.650 2.574 4.114 . 0 0 "[ . 1 . 2]" 1
960 1 72 PHE H 1 76 LEU HG . . 5.500 3.817 2.597 4.490 . 0 0 "[ . 1 . 2]" 1
961 1 72 PHE HA 1 72 PHE QD . . 2.970 2.454 2.051 3.029 0.059 3 0 "[ . 1 . 2]" 1
962 1 72 PHE HA 1 73 GLU H . . 2.990 2.159 2.045 2.267 . 0 0 "[ . 1 . 2]" 1
963 1 72 PHE HA 1 73 GLU HA . . 5.130 4.402 4.233 4.486 . 0 0 "[ . 1 . 2]" 1
964 1 72 PHE HB3 1 73 GLU H . . 4.510 3.556 3.287 4.071 . 0 0 "[ . 1 . 2]" 1
965 1 72 PHE QD 1 73 GLU H . . 4.020 3.387 2.584 4.086 0.066 10 0 "[ . 1 . 2]" 1
966 1 73 GLU H 1 75 ASP H . . 5.470 4.357 4.152 4.669 . 0 0 "[ . 1 . 2]" 1
967 1 73 GLU H 1 76 LEU QD . . 5.390 3.732 3.241 4.690 . 0 0 "[ . 1 . 2]" 1
968 1 73 GLU HA 1 75 ASP H . . 5.110 4.132 3.696 4.637 . 0 0 "[ . 1 . 2]" 1
969 1 73 GLU HA 1 76 LEU H . . 4.140 3.587 3.068 3.862 . 0 0 "[ . 1 . 2]" 1
970 1 73 GLU HA 1 76 LEU HB3 . . 4.700 4.361 3.752 4.770 0.070 11 0 "[ . 1 . 2]" 1
971 1 73 GLU HA 1 76 LEU QD . . 3.520 2.511 2.068 3.530 0.010 11 0 "[ . 1 . 2]" 1
972 1 73 GLU HA 1 76 LEU HG . . 4.020 3.885 1.968 4.091 0.071 9 0 "[ . 1 . 2]" 1
973 1 73 GLU HA 1 77 ASP H . . 5.010 3.889 2.793 5.016 0.006 15 0 "[ . 1 . 2]" 1
974 1 75 ASP H 1 75 ASP HB3 . . 3.640 3.603 3.365 3.687 0.047 16 0 "[ . 1 . 2]" 1
975 1 75 ASP H 1 76 LEU H . . 3.580 2.211 1.933 2.492 . 0 0 "[ . 1 . 2]" 1
976 1 75 ASP H 1 76 LEU HA . . 5.020 4.926 4.670 5.095 0.075 4 0 "[ . 1 . 2]" 1
977 1 75 ASP H 1 76 LEU HG . . 4.630 4.024 3.470 4.354 . 0 0 "[ . 1 . 2]" 1
978 1 75 ASP H 1 77 ASP H . . 4.620 4.085 3.338 4.675 0.055 6 0 "[ . 1 . 2]" 1
979 1 75 ASP HA 1 77 ASP H . . 5.500 4.964 3.959 5.429 . 0 0 "[ . 1 . 2]" 1
980 1 75 ASP HA 1 78 ALA H . . 4.290 4.042 3.454 4.353 0.063 9 0 "[ . 1 . 2]" 1
981 1 75 ASP HA 1 78 ALA MB . . 3.290 2.859 2.408 3.262 . 0 0 "[ . 1 . 2]" 1
982 1 75 ASP HA 1 79 TYR H . . 4.980 4.646 3.801 5.017 0.037 7 0 "[ . 1 . 2]" 1
983 1 75 ASP HB3 1 76 LEU H . . 4.180 3.640 2.886 4.134 . 0 0 "[ . 1 . 2]" 1
984 1 75 ASP HB3 1 76 LEU HG . . 5.200 4.233 3.480 5.866 0.666 16 1 "[ . 1 .+ 2]" 1
985 1 76 LEU H 1 76 LEU HB3 . . 4.140 3.534 2.511 3.621 . 0 0 "[ . 1 . 2]" 1
986 1 76 LEU H 1 76 LEU QD . . 4.030 3.202 3.082 3.311 . 0 0 "[ . 1 . 2]" 1
987 1 76 LEU H 1 76 LEU HG . . 3.370 2.518 2.327 2.838 . 0 0 "[ . 1 . 2]" 1
988 1 76 LEU H 1 77 ASP H . . 3.440 2.670 2.328 3.012 . 0 0 "[ . 1 . 2]" 1
989 1 76 LEU H 1 77 ASP HB3 . . 5.230 5.272 4.407 6.195 0.965 19 4 "[ * . 1 - . +*]" 1
990 1 76 LEU H 1 78 ALA H . . 4.880 3.976 3.636 4.200 . 0 0 "[ . 1 . 2]" 1
991 1 76 LEU H 1 79 TYR H . . 4.830 4.820 4.357 4.909 0.079 14 0 "[ . 1 . 2]" 1
992 1 76 LEU HA 1 76 LEU QD . . 3.300 2.228 2.043 3.242 . 0 0 "[ . 1 . 2]" 1
993 1 76 LEU HA 1 79 TYR H . . 4.010 3.612 3.248 4.060 0.050 10 0 "[ . 1 . 2]" 1
994 1 76 LEU HA 1 79 TYR HB3 . . 3.790 3.745 3.075 3.861 0.071 15 0 "[ . 1 . 2]" 1
995 1 76 LEU HB3 1 77 ASP H . . 4.100 3.423 3.075 4.161 0.061 15 0 "[ . 1 . 2]" 1
996 1 76 LEU QD 1 77 ASP H . . 4.830 3.942 2.466 4.382 . 0 0 "[ . 1 . 2]" 1
997 1 76 LEU HG 1 77 ASP H . . 4.710 4.358 2.071 4.639 . 0 0 "[ . 1 . 2]" 1
998 1 77 ASP H 1 77 ASP HB3 . . 3.510 2.896 2.396 3.615 0.105 3 0 "[ . 1 . 2]" 1
999 1 77 ASP H 1 78 ALA H . . 3.380 2.687 2.196 2.957 . 0 0 "[ . 1 . 2]" 1
1000 1 77 ASP HA 1 79 TYR H . . 5.500 4.003 3.753 4.565 . 0 0 "[ . 1 . 2]" 1
1001 1 77 ASP HA 1 80 ALA H . . 3.810 3.474 3.113 3.869 0.059 3 0 "[ . 1 . 2]" 1
1002 1 77 ASP HA 1 80 ALA MB . . 3.250 3.215 2.780 3.361 0.111 5 0 "[ . 1 . 2]" 1
1003 1 77 ASP HA 1 81 GLU H . . 5.500 4.877 4.305 5.399 . 0 0 "[ . 1 . 2]" 1
1004 1 77 ASP HB3 1 78 ALA H . . 3.720 2.898 2.339 3.816 0.096 20 0 "[ . 1 . 2]" 1
1005 1 78 ALA H 1 78 ALA MB . . 2.780 2.219 2.127 2.289 . 0 0 "[ . 1 . 2]" 1
1006 1 78 ALA H 1 79 TYR H . . 3.480 2.810 2.672 2.999 . 0 0 "[ . 1 . 2]" 1
1007 1 78 ALA H 1 79 TYR HB3 . . 5.500 5.229 4.945 5.465 . 0 0 "[ . 1 . 2]" 1
1008 1 78 ALA H 1 80 ALA H . . 4.640 4.489 4.275 4.645 0.005 5 0 "[ . 1 . 2]" 1
1009 1 78 ALA HA 1 81 GLU H . . 3.590 3.241 3.071 3.432 . 0 0 "[ . 1 . 2]" 1
1010 1 78 ALA HA 1 82 ARG H . . 4.980 3.957 3.687 4.164 . 0 0 "[ . 1 . 2]" 1
1011 1 78 ALA MB 1 79 TYR H . . 3.180 2.803 2.541 2.993 . 0 0 "[ . 1 . 2]" 1
1012 1 78 ALA MB 1 79 TYR HA . . 4.760 3.937 3.820 4.056 . 0 0 "[ . 1 . 2]" 1
1013 1 78 ALA MB 1 79 TYR QD . . 5.350 5.304 5.057 5.458 0.108 16 0 "[ . 1 . 2]" 1
1014 1 79 TYR H 1 79 TYR HB3 . . 3.380 2.655 2.472 2.739 . 0 0 "[ . 1 . 2]" 1
1015 1 79 TYR H 1 79 TYR QD . . 4.660 4.187 4.119 4.257 . 0 0 "[ . 1 . 2]" 1
1016 1 79 TYR H 1 80 ALA H . . 3.470 2.712 2.551 2.849 . 0 0 "[ . 1 . 2]" 1
1017 1 79 TYR H 1 81 GLU H . . 4.320 4.049 3.799 4.375 0.055 9 0 "[ . 1 . 2]" 1
1018 1 79 TYR HA 1 79 TYR QD . . 3.270 2.893 2.167 3.123 . 0 0 "[ . 1 . 2]" 1
1019 1 79 TYR HA 1 81 GLU H . . 5.050 4.225 3.868 4.509 . 0 0 "[ . 1 . 2]" 1
1020 1 79 TYR HB3 1 80 ALA H . . 3.680 2.438 2.252 2.728 . 0 0 "[ . 1 . 2]" 1
1021 1 79 TYR HB3 1 80 ALA MB . . 4.680 3.692 3.536 4.106 . 0 0 "[ . 1 . 2]" 1
1022 1 79 TYR QD 1 80 ALA H . . 3.780 3.508 3.184 3.846 0.066 16 0 "[ . 1 . 2]" 1
1023 1 79 TYR QD 1 80 ALA HA . . 3.940 3.149 2.839 4.015 0.075 16 0 "[ . 1 . 2]" 1
1024 1 79 TYR QD 1 80 ALA MB . . 4.330 3.652 3.311 4.003 . 0 0 "[ . 1 . 2]" 1
1025 1 79 TYR QD 1 82 ARG H . . 5.500 5.375 4.757 5.550 0.050 12 0 "[ . 1 . 2]" 1
1026 1 79 TYR QD 1 83 ALA H . . 5.500 4.391 3.745 4.634 . 0 0 "[ . 1 . 2]" 1
1027 1 79 TYR QD 1 83 ALA MB . . 3.280 3.360 3.149 3.399 0.119 14 0 "[ . 1 . 2]" 1
1028 1 79 TYR QE 1 80 ALA HA . . 4.720 4.613 4.107 4.797 0.077 5 0 "[ . 1 . 2]" 1
1029 1 79 TYR QE 1 80 ALA MB . . 5.250 5.274 4.809 5.364 0.114 5 0 "[ . 1 . 2]" 1
1030 1 79 TYR QE 1 83 ALA MB . . 2.810 2.851 2.637 2.926 0.116 10 0 "[ . 1 . 2]" 1
1031 1 80 ALA H 1 80 ALA MB . . 2.850 2.217 2.100 2.265 . 0 0 "[ . 1 . 2]" 1
1032 1 80 ALA H 1 81 GLU H . . 3.450 2.693 2.480 2.874 . 0 0 "[ . 1 . 2]" 1
1033 1 80 ALA H 1 83 ALA MB . . 5.120 4.905 4.565 5.166 0.046 16 0 "[ . 1 . 2]" 1
1034 1 80 ALA HA 1 82 ARG H . . 4.780 4.459 4.145 4.837 0.057 12 0 "[ . 1 . 2]" 1
1035 1 80 ALA HA 1 83 ALA MB . . 3.300 2.996 2.477 3.358 0.058 1 0 "[ . 1 . 2]" 1
1036 1 80 ALA HA 1 92 VAL MG2 . . 4.770 4.011 3.348 4.572 . 0 0 "[ . 1 . 2]" 1
1037 1 80 ALA MB 1 81 GLU H . . 3.260 2.959 2.585 3.353 0.093 1 0 "[ . 1 . 2]" 1
1038 1 80 ALA MB 1 83 ALA H . . 5.090 4.929 4.541 5.180 0.090 3 0 "[ . 1 . 2]" 1
1039 1 80 ALA MB 1 92 VAL MG2 . . 3.220 2.983 2.427 3.339 0.119 9 0 "[ . 1 . 2]" 1
1040 1 81 GLU H 1 81 GLU HG3 . . 3.800 2.974 2.292 4.459 0.659 8 4 "[* *. + 1 - . 2]" 1
1041 1 81 GLU H 1 82 ARG H . . 3.370 2.356 2.007 2.477 . 0 0 "[ . 1 . 2]" 1
1042 1 81 GLU H 1 82 ARG HA . . 4.950 4.987 4.632 5.040 0.090 5 0 "[ . 1 . 2]" 1
1043 1 81 GLU H 1 83 ALA H . . 4.960 4.153 3.824 4.589 . 0 0 "[ . 1 . 2]" 1
1044 1 81 GLU H 1 84 ALA H . . 5.320 4.927 4.770 5.276 . 0 0 "[ . 1 . 2]" 1
1045 1 81 GLU H 1 84 ALA MB . . 5.290 4.976 4.770 5.329 0.039 1 0 "[ . 1 . 2]" 1
1046 1 81 GLU HA 1 81 GLU HG3 . . 3.660 3.140 2.606 3.552 . 0 0 "[ . 1 . 2]" 1
1047 1 81 GLU HA 1 82 ARG H . . 3.530 3.563 3.485 3.603 0.073 18 0 "[ . 1 . 2]" 1
1048 1 81 GLU HA 1 84 ALA MB . . 3.380 3.189 2.753 3.470 0.090 11 0 "[ . 1 . 2]" 1
1049 1 81 GLU HG3 1 82 ARG H . . 4.330 4.261 3.940 4.404 0.074 11 0 "[ . 1 . 2]" 1
1050 1 82 ARG H 1 82 ARG HB3 . . 4.010 2.607 2.248 3.637 . 0 0 "[ . 1 . 2]" 1
1051 1 82 ARG H 1 83 ALA H . . 3.050 2.835 2.630 2.995 . 0 0 "[ . 1 . 2]" 1
1052 1 82 ARG H 1 83 ALA MB . . 4.510 4.466 4.287 4.584 0.074 20 0 "[ . 1 . 2]" 1
1053 1 82 ARG HA 1 83 ALA MB . . 5.050 5.042 4.985 5.072 0.022 5 0 "[ . 1 . 2]" 1
1054 1 82 ARG HA 1 84 ALA H . . 4.340 4.400 4.268 4.424 0.084 10 0 "[ . 1 . 2]" 1
1055 1 82 ARG HA 1 85 ARG H . . 4.340 4.013 3.383 4.412 0.072 10 0 "[ . 1 . 2]" 1
1056 1 82 ARG HB3 1 83 ALA H . . 4.110 2.603 2.182 3.529 . 0 0 "[ . 1 . 2]" 1
1057 1 83 ALA H 1 83 ALA MB . . 2.840 2.218 2.184 2.267 . 0 0 "[ . 1 . 2]" 1
1058 1 83 ALA H 1 84 ALA H . . 3.560 2.736 2.637 2.830 . 0 0 "[ . 1 . 2]" 1
1059 1 83 ALA H 1 84 ALA MB . . 4.310 4.380 4.333 4.402 0.092 5 0 "[ . 1 . 2]" 1
1060 1 83 ALA H 1 85 ARG H . . 4.790 4.335 4.011 4.590 . 0 0 "[ . 1 . 2]" 1
1061 1 83 ALA H 1 86 ILE MD . . 4.940 4.642 4.136 5.015 0.075 4 0 "[ . 1 . 2]" 1
1062 1 83 ALA HA 1 85 ARG H . . 3.680 3.719 3.604 3.766 0.086 20 0 "[ . 1 . 2]" 1
1063 1 83 ALA HA 1 86 ILE MD . . 3.860 3.158 2.325 3.792 . 0 0 "[ . 1 . 2]" 1
1064 1 83 ALA MB 1 84 ALA H . . 3.150 2.610 2.381 3.208 0.058 4 0 "[ . 1 . 2]" 1
1065 1 83 ALA MB 1 84 ALA HA . . 4.310 3.906 3.702 4.236 . 0 0 "[ . 1 . 2]" 1
1066 1 83 ALA MB 1 90 ILE MD . . 3.300 2.289 2.005 2.979 . 0 0 "[ . 1 . 2]" 1
1067 1 84 ALA H 1 84 ALA MB . . 2.790 2.218 2.145 2.307 . 0 0 "[ . 1 . 2]" 1
1068 1 84 ALA H 1 85 ARG H . . 3.270 2.867 2.287 3.161 . 0 0 "[ . 1 . 2]" 1
1069 1 84 ALA H 1 86 ILE MD . . 5.030 4.859 4.317 5.118 0.088 5 0 "[ . 1 . 2]" 1
1070 1 84 ALA H 1 87 ASP H . . 5.320 4.984 4.706 5.185 . 0 0 "[ . 1 . 2]" 1
1071 1 84 ALA H 1 90 ILE MG . . 4.050 3.641 3.249 4.143 0.093 4 0 "[ . 1 . 2]" 1
1072 1 84 ALA HA 1 86 ILE H . . 4.970 3.852 3.523 4.266 . 0 0 "[ . 1 . 2]" 1
1073 1 84 ALA HA 1 87 ASP H . . 3.600 3.495 3.170 3.672 0.072 19 0 "[ . 1 . 2]" 1
1074 1 84 ALA HA 1 87 ASP HB3 . . 4.510 4.332 3.143 5.106 0.596 10 1 "[ . + . 2]" 1
1075 1 84 ALA HA 1 90 ILE HB . . 4.990 4.147 3.442 4.495 . 0 0 "[ . 1 . 2]" 1
1076 1 84 ALA HA 1 90 ILE MD . . 3.840 3.792 3.120 3.943 0.103 11 0 "[ . 1 . 2]" 1
1077 1 84 ALA HA 1 90 ILE MG . . 3.160 2.089 1.894 2.496 . 0 0 "[ . 1 . 2]" 1
1078 1 84 ALA MB 1 85 ARG H . . 3.940 3.442 3.204 3.698 . 0 0 "[ . 1 . 2]" 1
1079 1 84 ALA MB 1 85 ARG HA . . 5.500 4.225 3.952 4.409 . 0 0 "[ . 1 . 2]" 1
1080 1 84 ALA MB 1 87 ASP H . . 5.030 4.897 4.585 5.091 0.061 14 0 "[ . 1 . 2]" 1
1081 1 84 ALA MB 1 90 ILE H . . 5.030 4.636 3.863 5.121 0.091 18 0 "[ . 1 . 2]" 1
1082 1 84 ALA MB 1 90 ILE MG . . 3.360 2.395 2.108 2.701 . 0 0 "[ . 1 . 2]" 1
1083 1 85 ARG H 1 85 ARG HD3 . . 5.430 4.941 4.109 5.492 0.062 14 0 "[ . 1 . 2]" 1
1084 1 85 ARG HA 1 85 ARG HB3 . . 2.800 2.675 2.487 3.046 0.246 19 0 "[ . 1 . 2]" 1
1085 1 85 ARG HA 1 85 ARG HG3 . . 3.410 2.941 2.363 3.550 0.140 18 0 "[ . 1 . 2]" 1
1086 1 85 ARG HA 1 87 ASP H . . 5.500 4.758 4.467 4.960 . 0 0 "[ . 1 . 2]" 1
1087 1 85 ARG HB3 1 85 ARG HD3 . . 2.750 2.562 2.218 3.260 0.510 9 1 "[ . +1 . 2]" 1
1088 1 85 ARG HB3 1 86 ILE H . . 4.570 3.873 3.125 4.325 . 0 0 "[ . 1 . 2]" 1
1089 1 86 ILE H 1 86 ILE HB . . 2.910 2.808 2.362 2.958 0.048 7 0 "[ . 1 . 2]" 1
1090 1 86 ILE H 1 86 ILE MD . . 3.640 2.507 1.972 3.568 . 0 0 "[ . 1 . 2]" 1
1091 1 86 ILE H 1 86 ILE MG . . 4.330 3.945 3.755 4.028 . 0 0 "[ . 1 . 2]" 1
1092 1 86 ILE H 1 87 ASP H . . 3.180 1.993 1.772 2.198 . 0 0 "[ . 1 . 2]" 1
1093 1 86 ILE H 1 87 ASP HB3 . . 4.540 5.356 4.903 5.761 1.221 8 18 "[* *****+**-***.*****]" 1
1094 1 86 ILE HA 1 86 ILE MG . . 2.950 2.319 2.212 2.582 . 0 0 "[ . 1 . 2]" 1
1095 1 86 ILE HB 1 86 ILE MD . . 3.020 2.284 2.223 2.332 . 0 0 "[ . 1 . 2]" 1
1096 1 86 ILE HB 1 87 ASP H . . 3.230 2.997 2.595 3.244 0.014 17 0 "[ . 1 . 2]" 1
1097 1 86 ILE HB 1 87 ASP HA . . 5.040 4.457 4.039 4.825 . 0 0 "[ . 1 . 2]" 1
1098 1 86 ILE HB 1 87 ASP HB3 . . 5.080 5.886 5.116 6.365 1.285 17 16 "[* * *****-***** + **]" 1
1099 1 86 ILE MD 1 87 ASP H . . 4.610 3.787 3.263 4.663 0.053 5 0 "[ . 1 . 2]" 1
1100 1 86 ILE MG 1 87 ASP H . . 4.010 3.909 3.516 4.091 0.081 10 0 "[ . 1 . 2]" 1
1101 1 86 ILE MG 1 87 ASP HA . . 4.300 3.984 3.582 4.357 0.057 10 0 "[ . 1 . 2]" 1
1102 1 87 ASP H 1 87 ASP HB3 . . 3.450 3.479 2.925 3.655 0.205 4 0 "[ . 1 . 2]" 1
1103 1 87 ASP H 1 88 PRO HD3 . . 4.920 4.706 3.983 5.222 0.302 2 0 "[ . 1 . 2]" 1
1104 1 87 ASP HA 1 88 PRO HD3 . . 3.110 2.555 2.163 3.066 . 0 0 "[ . 1 . 2]" 1
1105 1 87 ASP HA 1 89 ASP H . . 4.310 3.905 3.080 4.395 0.085 12 0 "[ . 1 . 2]" 1
1106 1 87 ASP HB3 1 90 ILE H . . 4.690 3.507 2.798 4.309 . 0 0 "[ . 1 . 2]" 1
1107 1 87 ASP HB3 1 90 ILE HB . . 3.840 2.352 2.129 2.903 . 0 0 "[ . 1 . 2]" 1
1108 1 87 ASP HB3 1 90 ILE MD . . 3.770 3.385 3.051 3.812 0.042 11 0 "[ . 1 . 2]" 1
1109 1 87 ASP HB3 1 90 ILE MG . . 3.170 3.132 2.356 3.796 0.626 4 1 "[ +. 1 . 2]" 1
1110 1 88 PRO HD3 1 89 ASP H . . 3.990 3.899 3.831 3.974 . 0 0 "[ . 1 . 2]" 1
1111 1 89 ASP H 1 89 ASP HB3 . . 3.600 3.510 2.660 3.690 0.090 13 0 "[ . 1 . 2]" 1
1112 1 89 ASP H 1 90 ILE H . . 3.270 3.103 2.538 3.360 0.090 11 0 "[ . 1 . 2]" 1
1113 1 89 ASP H 1 90 ILE HB . . 4.180 4.030 3.655 4.258 0.078 4 0 "[ . 1 . 2]" 1
1114 1 89 ASP H 1 90 ILE MG . . 4.500 4.227 3.704 4.579 0.079 5 0 "[ . 1 . 2]" 1
1115 1 90 ILE H 1 90 ILE HB . . 3.120 2.745 2.318 3.181 0.061 9 0 "[ . 1 . 2]" 1
1116 1 90 ILE H 1 90 ILE MG . . 2.990 2.084 1.827 2.311 . 0 0 "[ . 1 . 2]" 1
1117 1 90 ILE H 1 91 TRP H . . 4.570 4.533 4.238 4.624 0.054 20 0 "[ . 1 . 2]" 1
1118 1 90 ILE H 1 91 TRP HD1 . . 5.500 5.355 5.033 5.558 0.058 6 0 "[ . 1 . 2]" 1
1119 1 90 ILE HA 1 90 ILE MD . . 4.240 3.689 3.538 3.815 . 0 0 "[ . 1 . 2]" 1
1120 1 90 ILE HA 1 90 ILE MG . . 3.540 3.253 3.213 3.275 . 0 0 "[ . 1 . 2]" 1
1121 1 90 ILE HA 1 91 TRP H . . 2.870 2.243 2.047 2.405 . 0 0 "[ . 1 . 2]" 1
1122 1 90 ILE HA 1 91 TRP HD1 . . 3.850 3.289 3.016 3.664 . 0 0 "[ . 1 . 2]" 1
1123 1 90 ILE HB 1 91 TRP H . . 4.020 4.059 3.896 4.106 0.086 18 0 "[ . 1 . 2]" 1
1124 1 90 ILE MD 1 91 TRP H . . 4.300 4.092 3.820 4.358 0.058 9 0 "[ . 1 . 2]" 1
1125 1 90 ILE MG 1 91 TRP H . . 3.890 3.728 3.382 3.998 0.108 1 0 "[ . 1 . 2]" 1
1126 1 91 TRP H 1 91 TRP HB3 . . 4.030 3.573 3.415 3.662 . 0 0 "[ . 1 . 2]" 1
1127 1 91 TRP H 1 91 TRP HD1 . . 3.140 2.631 2.392 2.886 . 0 0 "[ . 1 . 2]" 1
1128 1 91 TRP HA 1 91 TRP HD1 . . 5.190 3.743 3.526 3.911 . 0 0 "[ . 1 . 2]" 1
1129 1 91 TRP HA 1 91 TRP HE3 . . 4.420 3.910 3.688 4.104 . 0 0 "[ . 1 . 2]" 1
1130 1 91 TRP HA 1 92 VAL H . . 2.930 2.319 2.175 2.455 . 0 0 "[ . 1 . 2]" 1
1131 1 91 TRP HA 1 92 VAL HB . . 4.460 4.506 4.427 4.541 0.081 4 0 "[ . 1 . 2]" 1
1132 1 91 TRP HA 1 92 VAL MG2 . . 4.310 3.611 3.351 4.028 . 0 0 "[ . 1 . 2]" 1
1133 1 91 TRP HB3 1 91 TRP HE3 . . 3.940 2.472 2.372 2.623 . 0 0 "[ . 1 . 2]" 1
1134 1 91 TRP HB3 1 92 VAL H . . 4.170 2.855 2.521 3.345 . 0 0 "[ . 1 . 2]" 1
1135 1 91 TRP HE3 1 92 VAL H . . 5.230 3.995 3.486 4.466 . 0 0 "[ . 1 . 2]" 1
1136 1 92 VAL H 1 92 VAL HB . . 3.620 2.652 2.478 2.800 . 0 0 "[ . 1 . 2]" 1
1137 1 92 VAL H 1 92 VAL MG1 . . 4.660 3.880 3.808 3.952 . 0 0 "[ . 1 . 2]" 1
1138 1 92 VAL H 1 92 VAL MG2 . . 3.560 2.989 2.816 3.115 . 0 0 "[ . 1 . 2]" 1
1139 1 92 VAL HA 1 92 VAL MG1 . . 3.060 2.482 2.405 2.583 . 0 0 "[ . 1 . 2]" 1
1140 1 92 VAL HA 1 92 VAL MG2 . . 3.190 2.493 2.396 2.577 . 0 0 "[ . 1 . 2]" 1
1141 1 92 VAL HA 1 93 VAL H . . 2.890 2.209 2.081 2.286 . 0 0 "[ . 1 . 2]" 1
1142 1 92 VAL HA 1 93 VAL MG2 . . 4.810 3.596 3.141 4.124 . 0 0 "[ . 1 . 2]" 1
1143 1 92 VAL MG1 1 93 VAL H . . 3.270 3.060 2.606 3.350 0.080 13 0 "[ . 1 . 2]" 1
1144 1 92 VAL MG1 1 94 GLU HG3 . . 4.200 2.969 2.176 3.562 . 0 0 "[ . 1 . 2]" 1
1145 1 93 VAL H 1 93 VAL HB . . 3.180 2.675 2.259 2.970 . 0 0 "[ . 1 . 2]" 1
1146 1 93 VAL H 1 93 VAL MG2 . . 3.230 2.687 2.313 3.104 . 0 0 "[ . 1 . 2]" 1
1147 1 93 VAL HA 1 93 VAL MG2 . . 3.020 2.516 2.236 2.713 . 0 0 "[ . 1 . 2]" 1
1148 1 93 VAL HA 1 94 GLU H . . 3.250 2.175 2.116 2.250 . 0 0 "[ . 1 . 2]" 1
1149 1 94 GLU H 1 94 GLU HG3 . . 4.340 3.489 2.626 4.079 . 0 0 "[ . 1 . 2]" 1
1150 1 94 GLU H 1 95 ILE H . . 4.960 4.304 3.965 4.544 . 0 0 "[ . 1 . 2]" 1
1151 1 94 GLU H 1 95 ILE MD . . 3.860 3.525 3.015 3.948 0.088 6 0 "[ . 1 . 2]" 1
1152 1 94 GLU HA 1 94 GLU HG3 . . 3.960 3.664 3.254 3.962 0.002 17 0 "[ . 1 . 2]" 1
1153 1 94 GLU HA 1 95 ILE H . . 2.810 2.198 2.145 2.299 . 0 0 "[ . 1 . 2]" 1
1154 1 94 GLU HA 1 95 ILE HA . . 4.800 4.473 4.424 4.514 . 0 0 "[ . 1 . 2]" 1
1155 1 94 GLU HA 1 95 ILE MD . . 4.020 3.884 3.042 4.134 0.114 15 0 "[ . 1 . 2]" 1
1156 1 94 GLU HB3 1 95 ILE H . . 3.960 3.599 3.156 3.999 0.039 9 0 "[ . 1 . 2]" 1
1157 1 95 ILE H 1 95 ILE HB . . 3.160 2.720 2.395 2.960 . 0 0 "[ . 1 . 2]" 1
1158 1 95 ILE H 1 95 ILE MD . . 4.190 3.222 2.471 3.663 . 0 0 "[ . 1 . 2]" 1
1159 1 95 ILE H 1 95 ILE HG13 . . 3.880 3.985 3.758 4.213 0.333 11 0 "[ . 1 . 2]" 1
1160 1 95 ILE HA 1 95 ILE MD . . 3.100 2.619 2.288 3.216 0.116 18 0 "[ . 1 . 2]" 1
1161 1 95 ILE HA 1 95 ILE MG . . 3.700 2.379 2.202 2.626 . 0 0 "[ . 1 . 2]" 1
1162 1 95 ILE HA 1 96 GLU H . . 3.340 2.247 1.986 2.363 . 0 0 "[ . 1 . 2]" 1
1163 1 95 ILE HA 1 96 GLU HG3 . . 5.140 4.825 4.066 5.711 0.571 18 1 "[ . 1 . + 2]" 1
1164 1 95 ILE HB 1 103 PHE QD . . 5.170 5.135 4.408 5.266 0.096 1 0 "[ . 1 . 2]" 1
1165 1 95 ILE MD 1 103 PHE QD . . 5.500 4.615 3.856 5.506 0.006 12 0 "[ . 1 . 2]" 1
1166 1 95 ILE MG 1 96 GLU H . . 3.990 3.157 2.380 3.720 . 0 0 "[ . 1 . 2]" 1
1167 1 95 ILE MG 1 102 HIS HA . . 3.910 3.100 2.524 4.000 0.090 20 0 "[ . 1 . 2]" 1
1168 1 95 ILE MG 1 103 PHE HB3 . . 3.900 4.803 4.505 4.854 0.954 11 20 [****-*****+*********] 1
1169 1 95 ILE MG 1 103 PHE QD . . 3.180 2.650 2.152 3.096 . 0 0 "[ . 1 . 2]" 1
1170 1 96 GLU H 1 96 GLU HG3 . . 4.030 3.319 2.415 4.298 0.268 18 0 "[ . 1 . 2]" 1
1171 1 96 GLU H 1 97 ASP H . . 5.020 4.110 3.604 4.551 . 0 0 "[ . 1 . 2]" 1
1172 1 96 GLU HA 1 96 GLU HG3 . . 3.810 3.061 2.708 3.364 . 0 0 "[ . 1 . 2]" 1
1173 1 96 GLU HA 1 97 ASP H . . 2.930 2.237 2.099 2.425 . 0 0 "[ . 1 . 2]" 1
1174 1 96 GLU HG3 1 97 ASP H . . 5.330 5.200 4.332 5.405 0.075 5 0 "[ . 1 . 2]" 1
1175 1 97 ASP H 1 98 ARG H . . 4.690 4.423 4.311 4.544 . 0 0 "[ . 1 . 2]" 1
1176 1 97 ASP H 1 100 GLY H . . 5.080 4.751 4.057 5.166 0.086 12 0 "[ . 1 . 2]" 1
1177 1 97 ASP H 1 100 GLY QA . . 5.140 4.638 3.660 5.192 0.052 12 0 "[ . 1 . 2]" 1
1178 1 97 ASP H 1 101 ARG H . . 4.710 4.738 4.244 4.795 0.085 12 0 "[ . 1 . 2]" 1
1179 1 97 ASP HA 1 98 ARG H . . 3.130 2.434 2.220 2.664 . 0 0 "[ . 1 . 2]" 1
1180 1 97 ASP HA 1 98 ARG HA . . 4.700 4.426 4.235 4.585 . 0 0 "[ . 1 . 2]" 1
1181 1 97 ASP HA 1 99 ASP H . . 4.860 4.559 4.117 4.949 0.089 19 0 "[ . 1 . 2]" 1
1182 1 98 ARG H 1 98 ARG HB3 . . 4.170 3.296 2.077 3.675 . 0 0 "[ . 1 . 2]" 1
1183 1 98 ARG H 1 98 ARG HG3 . . 3.950 2.938 2.127 4.477 0.527 19 1 "[ . 1 . +2]" 1
1184 1 98 ARG H 1 99 ASP H . . 4.220 2.514 2.005 3.006 . 0 0 "[ . 1 . 2]" 1
1185 1 98 ARG H 1 99 ASP HA . . 5.500 5.139 4.737 5.522 0.022 18 0 "[ . 1 . 2]" 1
1186 1 98 ARG HA 1 100 GLY H . . 5.500 4.126 3.759 4.447 . 0 0 "[ . 1 . 2]" 1
1187 1 98 ARG HB3 1 99 ASP H . . 4.300 3.618 2.466 4.591 0.291 12 0 "[ . 1 . 2]" 1
1188 1 98 ARG HG3 1 99 ASP H . . 4.500 3.811 1.733 5.187 0.687 10 1 "[ . + . 2]" 1
1189 1 99 ASP H 1 99 ASP HB3 . . 3.450 2.848 2.490 3.681 0.231 19 0 "[ . 1 . 2]" 1
1190 1 99 ASP H 1 100 GLY QA . . 5.310 4.560 3.894 5.118 . 0 0 "[ . 1 . 2]" 1
1191 1 99 ASP HA 1 100 GLY QA . . 4.470 4.034 3.600 4.298 . 0 0 "[ . 1 . 2]" 1
1192 1 99 ASP HA 1 101 ARG H . . 5.500 4.775 4.344 5.565 0.065 8 0 "[ . 1 . 2]" 1
1193 1 99 ASP HB3 1 101 ARG H . . 4.620 4.267 3.320 5.538 0.918 17 3 "[ . 1 .-+ *]" 1
1194 1 100 GLY H 1 101 ARG H . . 4.140 2.870 2.451 3.386 . 0 0 "[ . 1 . 2]" 1
1195 1 101 ARG H 1 101 ARG HB3 . . 4.080 3.376 2.581 3.699 . 0 0 "[ . 1 . 2]" 1
1196 1 101 ARG H 1 101 ARG HD3 . . 5.030 4.951 4.706 5.161 0.131 3 0 "[ . 1 . 2]" 1
1197 1 101 ARG H 1 101 ARG HG3 . . 4.450 3.316 2.395 4.388 . 0 0 "[ . 1 . 2]" 1
1198 1 101 ARG H 1 102 HIS H . . 5.280 4.542 4.246 4.687 . 0 0 "[ . 1 . 2]" 1
1199 1 101 ARG HA 1 101 ARG HD3 . . 5.390 3.683 2.273 4.781 . 0 0 "[ . 1 . 2]" 1
1200 1 101 ARG HA 1 102 HIS H . . 3.040 2.295 1.921 2.792 . 0 0 "[ . 1 . 2]" 1
1201 1 101 ARG HA 1 102 HIS HA . . 4.690 4.455 4.230 4.693 0.003 17 0 "[ . 1 . 2]" 1
1202 1 101 ARG HA 1 102 HIS HD2 . . 4.960 3.894 2.529 5.031 0.071 15 0 "[ . 1 . 2]" 1
1203 1 101 ARG HA 1 103 PHE H . . 4.090 3.936 3.505 4.191 0.101 20 0 "[ . 1 . 2]" 1
1204 1 101 ARG HB3 1 101 ARG HG3 . . 2.670 2.841 2.428 3.049 0.379 8 0 "[ . 1 . 2]" 1
1205 1 101 ARG HB3 1 102 HIS H . . 5.100 2.967 1.894 4.068 . 0 0 "[ . 1 . 2]" 1
1206 1 101 ARG HB3 1 103 PHE H . . 5.020 3.296 2.398 4.769 . 0 0 "[ . 1 . 2]" 1
1207 1 101 ARG HD3 1 103 PHE H . . 5.110 3.557 1.924 4.611 . 0 0 "[ . 1 . 2]" 1
1208 1 101 ARG HD3 1 103 PHE QD . . 3.920 3.844 2.922 4.175 0.255 9 0 "[ . 1 . 2]" 1
1209 1 101 ARG HG3 1 102 HIS H . . 5.130 4.633 3.524 5.214 0.084 16 0 "[ . 1 . 2]" 1
1210 1 102 HIS H 1 102 HIS HD2 . . 4.430 3.298 2.397 4.508 0.078 15 0 "[ . 1 . 2]" 1
1211 1 102 HIS H 1 103 PHE H . . 3.790 2.105 1.681 3.461 . 0 0 "[ . 1 . 2]" 1
1212 1 102 HIS H 1 103 PHE HA . . 4.530 4.221 3.808 4.620 0.090 20 0 "[ . 1 . 2]" 1
1213 1 102 HIS H 1 104 LEU H . . 5.500 4.246 3.742 4.909 . 0 0 "[ . 1 . 2]" 1
1214 1 102 HIS HA 1 103 PHE QD . . 4.400 4.116 3.302 4.503 0.103 20 0 "[ . 1 . 2]" 1
1215 1 102 HIS HB3 1 104 LEU H . . 4.790 4.394 2.940 5.539 0.749 7 1 "[ . + 1 . 2]" 1
1216 1 102 HIS HB3 1 104 LEU QD . . 3.820 3.255 2.429 3.824 0.004 14 0 "[ . 1 . 2]" 1
1217 1 102 HIS HB3 1 104 LEU HG . . 3.880 4.004 2.320 4.686 0.806 20 4 "[ .* 1 -* . +]" 1
1218 1 103 PHE H 1 104 LEU H . . 4.440 3.013 2.804 3.252 . 0 0 "[ . 1 . 2]" 1
1219 1 103 PHE H 1 104 LEU HG . . 5.230 4.777 4.301 5.332 0.102 20 0 "[ . 1 . 2]" 1
1220 1 104 LEU H 1 104 LEU HB3 . . 3.690 3.534 2.129 3.863 0.173 7 0 "[ . 1 . 2]" 1
1221 1 104 LEU H 1 104 LEU QD . . 5.070 3.060 1.590 3.777 . 0 0 "[ . 1 . 2]" 1
1222 1 104 LEU H 1 104 LEU HG . . 3.490 2.450 1.877 3.554 0.064 20 0 "[ . 1 . 2]" 1
1223 1 104 LEU H 1 105 THR H . . 5.140 4.608 4.261 4.712 . 0 0 "[ . 1 . 2]" 1
1224 1 104 LEU H 1 108 VAL QG . . 5.500 4.936 3.502 5.440 . 0 0 "[ . 1 . 2]" 1
1225 1 104 LEU HA 1 104 LEU QD . . 3.150 2.173 1.989 2.853 . 0 0 "[ . 1 . 2]" 1
1226 1 104 LEU HA 1 104 LEU HG . . 3.960 3.085 2.865 3.737 . 0 0 "[ . 1 . 2]" 1
1227 1 104 LEU HA 1 105 THR H . . 3.240 2.352 2.150 2.642 . 0 0 "[ . 1 . 2]" 1
1228 1 104 LEU HA 1 105 THR MG . . 5.500 3.751 3.182 4.148 . 0 0 "[ . 1 . 2]" 1
1229 1 104 LEU HA 1 106 GLU H . . 4.680 4.027 3.558 4.431 . 0 0 "[ . 1 . 2]" 1
1230 1 104 LEU HB3 1 105 THR H . . 4.650 2.818 2.113 4.311 . 0 0 "[ . 1 . 2]" 1
1231 1 104 LEU HB3 1 106 GLU H . . 5.220 2.746 2.223 4.968 . 0 0 "[ . 1 . 2]" 1
1232 1 104 LEU HB3 1 108 VAL QG . . 4.320 4.098 3.477 4.489 0.169 12 0 "[ . 1 . 2]" 1
1233 1 104 LEU QD 1 105 THR H . . 4.020 3.318 1.974 3.704 . 0 0 "[ . 1 . 2]" 1
1234 1 104 LEU QD 1 105 THR MG . . 4.940 4.125 3.615 4.680 . 0 0 "[ . 1 . 2]" 1
1235 1 104 LEU QD 1 106 GLU H . . 5.110 3.736 1.821 4.335 . 0 0 "[ . 1 . 2]" 1
1236 1 104 LEU QD 1 108 VAL HB . . 5.290 4.483 3.010 5.314 0.024 3 0 "[ . 1 . 2]" 1
1237 1 104 LEU QD 1 108 VAL QG . . 3.590 2.607 1.837 3.061 . 0 0 "[ . 1 . 2]" 1
1238 1 104 LEU HG 1 105 THR H . . 5.170 4.846 3.860 5.185 0.015 19 0 "[ . 1 . 2]" 1
1239 1 105 THR H 1 105 THR MG . . 3.350 2.223 1.870 2.695 . 0 0 "[ . 1 . 2]" 1
1240 1 105 THR H 1 106 GLU H . . 3.410 2.498 1.815 3.074 . 0 0 "[ . 1 . 2]" 1
1241 1 105 THR HA 1 105 THR MG . . 3.260 3.130 2.272 3.293 0.033 15 0 "[ . 1 . 2]" 1
1242 1 105 THR MG 1 106 GLU H . . 5.010 3.422 2.393 4.447 . 0 0 "[ . 1 . 2]" 1
1243 1 106 GLU H 1 106 GLU HG3 . . 4.570 3.321 2.667 4.161 . 0 0 "[ . 1 . 2]" 1
1244 1 106 GLU HA 1 106 GLU HG3 . . 3.820 2.983 2.331 3.829 0.009 2 0 "[ . 1 . 2]" 1
1245 1 106 GLU HA 1 107 PRO HD3 . . 3.780 2.605 2.393 2.872 . 0 0 "[ . 1 . 2]" 1
1246 1 106 GLU HA 1 107 PRO HG3 . . 4.950 4.772 4.705 4.925 . 0 0 "[ . 1 . 2]" 1
1247 1 106 GLU HB3 1 107 PRO HD3 . . 3.750 3.600 3.291 3.739 . 0 0 "[ . 1 . 2]" 1
1248 1 107 PRO HA 1 108 VAL H . . 2.760 2.328 2.122 2.579 . 0 0 "[ . 1 . 2]" 1
1249 1 107 PRO HA 1 108 VAL HB . . 4.890 4.546 4.327 4.790 . 0 0 "[ . 1 . 2]" 1
1250 1 107 PRO HA 1 108 VAL QG . . 4.130 3.315 2.884 3.794 . 0 0 "[ . 1 . 2]" 1
1251 1 107 PRO HB3 1 108 VAL H . . 4.080 3.724 3.458 4.038 . 0 0 "[ . 1 . 2]" 1
1252 1 108 VAL H 1 108 VAL HB . . 3.180 2.968 2.712 3.262 0.082 6 0 "[ . 1 . 2]" 1
1253 1 108 VAL H 1 108 VAL QG . . 3.550 2.679 2.135 3.110 . 0 0 "[ . 1 . 2]" 1
1254 1 108 VAL H 1 109 GLU H . . 4.730 4.195 3.874 4.441 . 0 0 "[ . 1 . 2]" 1
1255 1 108 VAL HB 1 109 GLU H . . 4.230 4.136 3.791 4.311 0.081 5 0 "[ . 1 . 2]" 1
1256 1 108 VAL QG 1 109 GLU H . . 3.950 2.675 2.236 2.944 . 0 0 "[ . 1 . 2]" 1
1257 1 108 VAL QG 1 110 SER H . . 5.180 5.014 4.373 5.169 . 0 0 "[ . 1 . 2]" 1
1258 1 109 GLU H 1 109 GLU HB3 . . 3.310 3.290 2.964 3.440 0.130 20 0 "[ . 1 . 2]" 1
1259 1 109 GLU H 1 109 GLU HG3 . . 4.030 3.841 2.881 4.121 0.091 12 0 "[ . 1 . 2]" 1
1260 1 109 GLU H 1 110 SER H . . 4.420 4.431 4.299 4.494 0.074 6 0 "[ . 1 . 2]" 1
1261 1 109 GLU H 1 110 SER HA . . 5.440 5.345 4.979 5.525 0.085 18 0 "[ . 1 . 2]" 1
1262 1 109 GLU HA 1 109 GLU HG3 . . 3.740 3.404 2.544 3.700 . 0 0 "[ . 1 . 2]" 1
1263 1 109 GLU HA 1 110 SER H . . 2.630 2.552 2.303 2.701 0.071 13 0 "[ . 1 . 2]" 1
1264 1 109 GLU HB3 1 110 SER H . . 4.070 2.265 1.911 2.805 . 0 0 "[ . 1 . 2]" 1
stop_
save_