NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555645 |
2m26   |
18901 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m26
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 1045
_Distance_constraint_stats_list.Viol_count 2536
_Distance_constraint_stats_list.Viol_total 9869.675
_Distance_constraint_stats_list.Viol_max 1.865
_Distance_constraint_stats_list.Viol_rms 0.1199
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0236
_Distance_constraint_stats_list.Viol_average_violations_only 0.1946
_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 6 PHE 11.248 1.020 8 7 "[ *. *+ * - *. * 2]"
1 7 PRO 8.021 1.020 8 6 "[ -. *+ * *. * 2]"
1 8 GLY 2.430 0.942 15 3 "[ . 1* + - 2]"
1 9 ALA 6.896 1.470 15 4 "[ . - 1* + * 2]"
1 10 PRO 32.166 1.393 9 20 [********+*******-***]
1 11 CYS 11.198 1.205 18 7 "[ * ** *- .* + 2]"
1 12 ALA 3.454 1.048 16 2 "[ . - .+ 2]"
1 13 ILE 24.700 1.320 4 20 [***+-***************]
1 14 LYS 4.788 0.279 10 0 "[ . 1 . 2]"
1 15 ILE 4.559 0.279 10 0 "[ . 1 . 2]"
1 16 SER 2.332 0.110 14 0 "[ . 1 . 2]"
1 17 LYS 6.134 0.677 16 5 "[ .*-**1 .+ 2]"
1 18 SER 0.818 0.078 3 0 "[ . 1 . 2]"
1 19 PRO 0.475 0.370 16 0 "[ . 1 . 2]"
1 20 ASP 0.665 0.370 16 0 "[ . 1 . 2]"
1 21 GLY 0.049 0.049 2 0 "[ . 1 . 2]"
1 22 ALA 26.700 1.221 18 19 "[** ***-**********+**]"
1 23 HIS 37.979 1.221 18 20 [***-*************+**]
1 24 LEU 23.277 1.216 3 19 [**+-***************2]
1 25 THR 6.073 1.294 19 2 "[ - . 1 . +2]"
1 26 TRP 49.085 1.865 16 20 [******-********+****]
1 27 GLU 35.232 1.865 16 17 "[**********- **.+***2]"
1 28 PRO 0.539 0.232 8 0 "[ . 1 . 2]"
1 29 PRO 1.183 0.544 1 1 "[+ . 1 . 2]"
1 30 SER 2.204 0.100 12 0 "[ . 1 . 2]"
1 31 VAL 3.053 0.100 12 0 "[ . 1 . 2]"
1 32 THR 1.418 0.109 15 0 "[ . 1 . 2]"
1 33 SER 0.258 0.109 15 0 "[ . 1 . 2]"
1 34 GLY 1.951 0.093 7 0 "[ . 1 . 2]"
1 35 LYS 12.915 1.022 5 12 "[** *+* ***- . * **]"
1 36 ILE 13.602 1.022 5 12 "[-* *+* **** . * **]"
1 37 ILE 9.848 0.876 6 1 "[ .+ 1 . 2]"
1 38 GLU 2.690 0.096 6 0 "[ . 1 . 2]"
1 39 TYR 4.792 0.846 20 3 "[ . *1* . +]"
1 40 SER 1.747 0.088 12 0 "[ . 1 . 2]"
1 41 VAL 7.086 1.190 9 1 "[ . +1 . 2]"
1 42 TYR 35.536 1.437 18 20 [********-********+**]
1 43 LEU 5.056 0.475 4 0 "[ . 1 . 2]"
1 44 ALA 1.731 0.100 17 0 "[ . 1 . 2]"
1 45 ILE 5.251 0.405 6 0 "[ . 1 . 2]"
1 46 GLN 2.063 0.420 16 0 "[ . 1 . 2]"
1 47 SER 2.063 0.420 16 0 "[ . 1 . 2]"
1 48 SER 2.470 0.519 15 1 "[ . 1 + 2]"
1 49 GLN 3.122 0.519 15 1 "[ . 1 + 2]"
1 50 ALA 0.060 0.060 6 0 "[ . 1 . 2]"
1 51 SER 1.108 0.089 8 0 "[ . 1 . 2]"
1 52 GLY 3.712 0.374 2 0 "[ . 1 . 2]"
1 53 GLU 5.683 0.385 6 0 "[ . 1 . 2]"
1 54 PRO 1.347 0.157 5 0 "[ . 1 . 2]"
1 55 LYS 0.611 0.095 14 0 "[ . 1 . 2]"
1 56 SER 0.605 0.095 14 0 "[ . 1 . 2]"
1 57 SER 0.823 0.193 4 0 "[ . 1 . 2]"
1 58 THR 5.644 0.500 19 0 "[ . 1 . 2]"
1 59 PRO 7.804 0.500 19 0 "[ . 1 . 2]"
1 60 ALA 3.666 0.316 12 0 "[ . 1 . 2]"
1 61 GLN 1.434 0.083 19 0 "[ . 1 . 2]"
1 62 LEU 5.102 0.492 15 0 "[ . 1 . 2]"
1 63 ALA 0.150 0.056 16 0 "[ . 1 . 2]"
1 64 PHE 7.519 0.893 14 5 "[ * .* * - +. 2]"
1 65 MET 3.833 0.405 6 0 "[ . 1 . 2]"
1 66 ARG 4.601 1.437 18 2 "[ . 1 *. + 2]"
1 67 VAL 0.901 0.145 19 0 "[ . 1 . 2]"
1 68 TYR 5.335 0.350 5 0 "[ . 1 . 2]"
1 69 CYS 0.528 0.083 9 0 "[ . 1 . 2]"
1 70 GLY 3.242 0.979 5 1 "[ + 1 . 2]"
1 71 PRO 3.322 0.979 5 1 "[ + 1 . 2]"
1 72 SER 0.634 0.083 12 0 "[ . 1 . 2]"
1 74 SER 4.333 1.294 19 2 "[ - . 1 . +2]"
1 75 CYS 5.228 1.175 14 5 "[ ** * +. - 2]"
1 76 LEU 4.985 1.175 14 5 "[ ** * +. - 2]"
1 77 VAL 2.303 0.279 13 0 "[ . 1 . 2]"
1 78 GLN 12.779 1.417 8 10 "[-** .* +*1 ** * *2]"
1 79 SER 10.662 0.665 6 11 "[* * *+ **** ** -]"
1 80 SER 0.156 0.083 18 0 "[ . 1 . 2]"
1 81 SER 25.498 1.560 10 11 "[-** .* **+ ** * *2]"
1 82 LEU 22.293 1.560 10 14 "[* * ** +******* *-]"
1 83 SER 0.597 0.155 2 0 "[ . 1 . 2]"
1 84 ASN 2.823 0.101 8 0 "[ . 1 . 2]"
1 85 ALA 2.773 0.111 19 0 "[ . 1 . 2]"
1 86 HIS 3.594 0.522 3 1 "[ + . 1 . 2]"
1 87 ILE 30.769 1.626 11 18 "[**-*******+ *******2]"
1 88 ASP 3.240 0.835 15 1 "[ . 1 + 2]"
1 89 TYR 25.402 1.626 11 18 "[**********+ -******2]"
1 90 THR 1.489 0.106 16 0 "[ . 1 . 2]"
1 91 THR 0.701 0.095 6 0 "[ . 1 . 2]"
1 92 LYS 20.795 0.809 9 17 "[****** *+1* *******-]"
1 93 PRO 8.767 0.564 14 10 "[ * *.* 1- *+* ***2]"
1 94 ALA 8.260 0.835 15 3 "[ . *1 + -]"
1 95 ILE 1.129 0.120 12 0 "[ . 1 . 2]"
1 96 ILE 6.714 0.289 18 0 "[ . 1 . 2]"
1 97 PHE 4.844 0.356 6 0 "[ . 1 . 2]"
1 98 ARG 32.869 1.334 15 20 [**************+*****]
1 99 ILE 35.889 1.731 3 16 "[* + .***-**** ******]"
1 100 ALA 4.234 0.361 9 0 "[ . 1 . 2]"
1 101 ALA 5.667 0.846 20 3 "[ . *1* . +]"
1 102 ARG 12.478 1.360 7 10 "[ **+ ***-* * *2]"
1 103 ASN 14.962 1.360 7 11 "[ * **+ ***-* * *2]"
1 104 GLU 8.897 0.876 6 1 "[ .+ 1 . 2]"
1 105 LYS 4.333 0.716 2 2 "[ + . 1 - . 2]"
1 106 GLY 6.003 0.463 2 0 "[ . 1 . 2]"
1 107 TYR 15.536 0.522 13 3 "[ . * - + . 2]"
1 108 GLY 5.587 0.619 12 1 "[ . 1 + . 2]"
1 109 PRO 8.270 1.470 15 4 "[ . * 1* + - 2]"
1 110 ALA 0.581 0.111 19 0 "[ . 1 . 2]"
1 111 THR 2.907 0.110 12 0 "[ . 1 . 2]"
1 112 GLN 0.858 0.156 16 0 "[ . 1 . 2]"
1 113 VAL 3.954 0.099 19 0 "[ . 1 . 2]"
1 114 ARG 11.835 0.658 9 3 "[ . +1 - . *2]"
1 115 TRP 17.544 1.738 17 7 "[ . *-* . +***]"
1 116 LEU 3.841 0.229 12 0 "[ . 1 . 2]"
1 117 GLN 5.779 0.952 7 5 "[ . +* 1 - . **2]"
1 118 GLU 14.502 1.738 17 6 "[ .* *- . +* *]"
1 119 THR 0.302 0.160 4 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 6 PHE H 1 6 PHE HB3 . . 3.820 3.473 3.243 3.871 0.051 4 0 "[ . 1 . 2]" 1
2 1 6 PHE H 1 6 PHE QD . . 4.270 3.432 2.632 4.239 . 0 0 "[ . 1 . 2]" 1
3 1 6 PHE H 1 7 PRO HD3 . . 4.850 4.756 3.617 5.194 0.344 1 0 "[ . 1 . 2]" 1
4 1 6 PHE HA 1 6 PHE QD . . 3.850 2.426 1.944 3.149 . 0 0 "[ . 1 . 2]" 1
5 1 6 PHE HA 1 6 PHE QE . . 4.930 4.358 4.123 4.693 . 0 0 "[ . 1 . 2]" 1
6 1 6 PHE HA 1 7 PRO HD3 . . 3.220 2.418 2.248 2.766 . 0 0 "[ . 1 . 2]" 1
7 1 6 PHE HB3 1 7 PRO HD3 . . 3.940 4.074 3.474 4.960 1.020 8 6 "[ -. *+ * *. * 2]" 1
8 1 6 PHE HB3 1 108 GLY H . . 5.030 4.774 3.287 5.649 0.619 12 1 "[ . 1 + . 2]" 1
9 1 6 PHE HB3 1 108 GLY QA . . 3.810 3.605 2.081 4.341 0.531 12 1 "[ . 1 + . 2]" 1
10 1 6 PHE QD 1 7 PRO HD3 . . 4.450 3.907 3.563 4.254 . 0 0 "[ . 1 . 2]" 1
11 1 6 PHE QE 1 106 GLY H . . 5.500 4.801 2.955 5.567 0.067 10 0 "[ . 1 . 2]" 1
12 1 6 PHE QE 1 106 GLY QA . . 4.690 4.006 2.581 4.628 . 0 0 "[ . 1 . 2]" 1
13 1 8 GLY QA 1 9 ALA H . . 3.100 2.158 1.968 2.378 . 0 0 "[ . 1 . 2]" 1
14 1 8 GLY QA 1 9 ALA MB . . 4.930 3.781 3.554 3.903 . 0 0 "[ . 1 . 2]" 1
15 1 8 GLY QA 1 31 VAL QG . . 5.150 3.692 2.003 5.049 . 0 0 "[ . 1 . 2]" 1
16 1 8 GLY QA 1 109 PRO HG3 . . 4.210 3.999 2.897 5.152 0.942 15 3 "[ . 1* + - 2]" 1
17 1 9 ALA H 1 9 ALA MB . . 2.920 2.820 2.274 3.031 0.111 4 0 "[ . 1 . 2]" 1
18 1 9 ALA H 1 109 PRO HG3 . . 4.810 4.555 3.150 6.280 1.470 15 3 "[ . 1- + * 2]" 1
19 1 9 ALA HA 1 10 PRO HD3 . . 3.180 2.597 2.344 3.030 . 0 0 "[ . 1 . 2]" 1
20 1 9 ALA MB 1 109 PRO HG3 . . 4.060 3.729 2.266 4.769 0.709 7 1 "[ . + 1 . 2]" 1
21 1 9 ALA MB 1 111 THR H . . 4.310 3.739 2.240 4.396 0.086 2 0 "[ . 1 . 2]" 1
22 1 9 ALA MB 1 111 THR HB . . 5.190 3.994 2.436 5.228 0.038 5 0 "[ . 1 . 2]" 1
23 1 10 PRO HA 1 11 CYS H . . 2.920 2.341 2.194 2.510 . 0 0 "[ . 1 . 2]" 1
24 1 10 PRO HB3 1 11 CYS H . . 4.130 3.667 3.318 3.829 . 0 0 "[ . 1 . 2]" 1
25 1 10 PRO HB3 1 13 ILE MD . . 3.350 4.263 3.901 4.670 1.320 4 20 [***+-***************] 1
26 1 10 PRO HB3 1 26 TRP HB3 . . 5.280 4.289 3.571 5.017 . 0 0 "[ . 1 . 2]" 1
27 1 10 PRO HB3 1 26 TRP HD1 . . 4.280 4.173 3.311 5.673 1.393 9 3 "[* . +1 - 2]" 1
28 1 10 PRO HB3 1 99 ILE HB . . 4.170 4.557 3.542 5.033 0.863 1 9 "[+ .* 1 ** * -***]" 1
29 1 10 PRO HB3 1 99 ILE MD . . 5.420 4.973 3.928 5.659 0.239 15 0 "[ . 1 . 2]" 1
30 1 10 PRO HB3 1 99 ILE MG . . 4.580 3.224 2.513 3.907 . 0 0 "[ . 1 . 2]" 1
31 1 10 PRO HB3 1 100 ALA HA . . 5.500 4.552 3.970 4.659 . 0 0 "[ . 1 . 2]" 1
32 1 10 PRO HD3 1 100 ALA MB . . 4.160 3.972 3.136 4.240 0.080 3 0 "[ . 1 . 2]" 1
33 1 10 PRO HD3 1 101 ALA H . . 4.260 2.892 2.396 3.539 . 0 0 "[ . 1 . 2]" 1
34 1 10 PRO HD3 1 111 THR H . . 4.930 4.480 3.714 4.984 0.054 9 0 "[ . 1 . 2]" 1
35 1 11 CYS H 1 11 CYS HB3 . . 3.980 3.772 3.401 3.899 . 0 0 "[ . 1 . 2]" 1
36 1 11 CYS H 1 12 ALA MB . . 5.160 4.367 4.040 4.654 . 0 0 "[ . 1 . 2]" 1
37 1 11 CYS H 1 13 ILE MD . . 4.940 3.574 3.280 3.827 . 0 0 "[ . 1 . 2]" 1
38 1 11 CYS H 1 26 TRP HB3 . . 5.080 4.404 3.553 5.037 . 0 0 "[ . 1 . 2]" 1
39 1 11 CYS H 1 27 GLU H . . 4.010 2.977 2.530 3.763 . 0 0 "[ . 1 . 2]" 1
40 1 11 CYS H 1 27 GLU HB3 . . 4.420 4.466 3.630 5.369 0.949 5 3 "[ * +- 1 . 2]" 1
41 1 11 CYS HA 1 12 ALA H . . 2.980 2.546 2.376 2.842 . 0 0 "[ . 1 . 2]" 1
42 1 11 CYS HA 1 13 ILE H . . 4.330 3.479 3.180 3.756 . 0 0 "[ . 1 . 2]" 1
43 1 11 CYS HA 1 13 ILE MD . . 4.280 2.444 2.148 2.927 . 0 0 "[ . 1 . 2]" 1
44 1 11 CYS HB3 1 12 ALA H . . 3.250 2.192 1.907 3.306 0.056 16 0 "[ . 1 . 2]" 1
45 1 11 CYS HB3 1 12 ALA HA . . 4.460 4.251 3.980 5.508 1.048 16 2 "[ . - .+ 2]" 1
46 1 11 CYS HB3 1 12 ALA MB . . 4.630 3.561 2.994 4.753 0.123 10 0 "[ . 1 . 2]" 1
47 1 11 CYS HB3 1 13 ILE H . . 5.090 4.792 4.501 5.484 0.394 16 0 "[ . 1 . 2]" 1
48 1 11 CYS HB3 1 13 ILE MD . . 5.480 4.403 3.987 5.017 . 0 0 "[ . 1 . 2]" 1
49 1 11 CYS HB3 1 27 GLU HB3 . . 5.320 5.467 4.266 6.525 1.205 18 4 "[ .* 1- .* + 2]" 1
50 1 12 ALA H 1 12 ALA HA . . 2.810 2.235 2.180 2.287 . 0 0 "[ . 1 . 2]" 1
51 1 12 ALA H 1 12 ALA MB . . 3.300 2.728 2.561 2.836 . 0 0 "[ . 1 . 2]" 1
52 1 12 ALA H 1 13 ILE H . . 3.530 2.962 2.798 3.098 . 0 0 "[ . 1 . 2]" 1
53 1 12 ALA H 1 13 ILE HB . . 5.380 5.276 4.880 5.447 0.067 2 0 "[ . 1 . 2]" 1
54 1 12 ALA H 1 13 ILE MD . . 4.550 3.504 3.121 4.528 . 0 0 "[ . 1 . 2]" 1
55 1 12 ALA HA 1 13 ILE H . . 3.090 2.959 2.691 3.162 0.072 10 0 "[ . 1 . 2]" 1
56 1 12 ALA HA 1 13 ILE HB . . 5.410 5.181 4.814 5.448 0.038 17 0 "[ . 1 . 2]" 1
57 1 12 ALA HA 1 13 ILE MD . . 5.330 4.401 3.835 5.424 0.094 19 0 "[ . 1 . 2]" 1
58 1 12 ALA MB 1 13 ILE H . . 4.020 3.641 3.352 3.765 . 0 0 "[ . 1 . 2]" 1
59 1 12 ALA MB 1 26 TRP HA . . 4.660 3.758 2.782 4.508 . 0 0 "[ . 1 . 2]" 1
60 1 12 ALA MB 1 27 GLU H . . 3.840 3.260 2.653 3.914 0.074 12 0 "[ . 1 . 2]" 1
61 1 12 ALA MB 1 27 GLU HB3 . . 4.020 3.137 2.018 4.174 0.154 19 0 "[ . 1 . 2]" 1
62 1 13 ILE H 1 13 ILE HB . . 3.000 2.505 2.263 2.699 . 0 0 "[ . 1 . 2]" 1
63 1 13 ILE H 1 13 ILE MD . . 3.580 2.074 1.696 3.317 . 0 0 "[ . 1 . 2]" 1
64 1 13 ILE H 1 13 ILE HG13 . . 3.960 2.535 2.252 2.788 . 0 0 "[ . 1 . 2]" 1
65 1 13 ILE H 1 13 ILE MG . . 4.070 3.760 3.668 3.832 . 0 0 "[ . 1 . 2]" 1
66 1 13 ILE H 1 14 LYS H . . 4.800 4.585 4.390 4.693 . 0 0 "[ . 1 . 2]" 1
67 1 13 ILE H 1 26 TRP HA . . 4.880 4.092 3.759 4.377 . 0 0 "[ . 1 . 2]" 1
68 1 13 ILE H 1 111 THR MG . . 5.200 4.914 4.438 5.306 0.106 9 0 "[ . 1 . 2]" 1
69 1 13 ILE H 1 113 VAL QG . . 5.180 4.268 3.476 4.890 . 0 0 "[ . 1 . 2]" 1
70 1 13 ILE HA 1 13 ILE MD . . 4.160 3.616 3.509 3.838 . 0 0 "[ . 1 . 2]" 1
71 1 13 ILE HA 1 13 ILE HG13 . . 4.040 2.375 2.245 2.844 . 0 0 "[ . 1 . 2]" 1
72 1 13 ILE HA 1 13 ILE MG . . 3.240 2.466 2.347 2.612 . 0 0 "[ . 1 . 2]" 1
73 1 13 ILE HA 1 14 LYS H . . 2.930 2.194 2.049 2.330 . 0 0 "[ . 1 . 2]" 1
74 1 13 ILE HA 1 26 TRP HA . . 3.030 2.318 2.068 2.649 . 0 0 "[ . 1 . 2]" 1
75 1 13 ILE HA 1 26 TRP HB3 . . 4.530 3.159 2.504 3.449 . 0 0 "[ . 1 . 2]" 1
76 1 13 ILE HA 1 27 GLU H . . 5.210 4.263 3.876 4.699 . 0 0 "[ . 1 . 2]" 1
77 1 13 ILE HB 1 13 ILE MD . . 3.130 2.256 2.188 2.342 . 0 0 "[ . 1 . 2]" 1
78 1 13 ILE HB 1 99 ILE MD . . 4.670 4.181 3.630 4.761 0.091 17 0 "[ . 1 . 2]" 1
79 1 13 ILE HB 1 113 VAL QG . . 3.730 2.529 2.156 3.089 . 0 0 "[ . 1 . 2]" 1
80 1 13 ILE MD 1 14 LYS H . . 5.110 5.176 5.128 5.223 0.113 19 0 "[ . 1 . 2]" 1
81 1 13 ILE MD 1 26 TRP HA . . 5.070 4.435 4.041 4.759 . 0 0 "[ . 1 . 2]" 1
82 1 13 ILE MD 1 27 GLU H . . 4.460 4.480 4.205 4.564 0.104 19 0 "[ . 1 . 2]" 1
83 1 13 ILE MD 1 99 ILE H . . 5.500 5.369 4.543 5.597 0.097 17 0 "[ . 1 . 2]" 1
84 1 13 ILE MD 1 99 ILE MD . . 3.670 3.195 2.245 3.780 0.110 17 0 "[ . 1 . 2]" 1
85 1 13 ILE MD 1 99 ILE MG . . 4.760 4.229 3.398 4.755 . 0 0 "[ . 1 . 2]" 1
86 1 13 ILE MD 1 111 THR HB . . 3.550 3.058 2.646 3.499 . 0 0 "[ . 1 . 2]" 1
87 1 13 ILE MD 1 111 THR MG . . 3.260 2.130 1.990 2.383 . 0 0 "[ . 1 . 2]" 1
88 1 13 ILE MD 1 113 VAL QG . . 3.020 2.202 1.933 2.766 . 0 0 "[ . 1 . 2]" 1
89 1 13 ILE HG13 1 13 ILE MG . . 3.550 2.921 2.780 3.206 . 0 0 "[ . 1 . 2]" 1
90 1 13 ILE HG13 1 14 LYS H . . 4.850 4.433 4.275 4.910 0.060 19 0 "[ . 1 . 2]" 1
91 1 13 ILE HG13 1 26 TRP HA . . 4.630 2.971 2.555 3.568 . 0 0 "[ . 1 . 2]" 1
92 1 13 ILE HG13 1 27 GLU H . . 5.180 3.674 3.443 3.844 . 0 0 "[ . 1 . 2]" 1
93 1 13 ILE HG13 1 99 ILE MD . . 4.130 3.797 3.163 4.629 0.499 19 0 "[ . 1 . 2]" 1
94 1 13 ILE MG 1 14 LYS H . . 3.410 2.613 2.403 2.948 . 0 0 "[ . 1 . 2]" 1
95 1 13 ILE MG 1 15 ILE H . . 4.910 4.479 3.874 4.782 . 0 0 "[ . 1 . 2]" 1
96 1 13 ILE MG 1 15 ILE MD . . 3.580 2.764 2.209 3.089 . 0 0 "[ . 1 . 2]" 1
97 1 13 ILE MG 1 15 ILE HG13 . . 3.490 2.724 2.218 3.571 0.081 19 0 "[ . 1 . 2]" 1
98 1 13 ILE MG 1 15 ILE MG . . 5.500 4.600 4.199 5.339 . 0 0 "[ . 1 . 2]" 1
99 1 13 ILE MG 1 24 LEU QD . . 4.450 3.485 2.869 4.046 . 0 0 "[ . 1 . 2]" 1
100 1 13 ILE MG 1 25 THR H . . 4.410 3.556 2.997 4.200 . 0 0 "[ . 1 . 2]" 1
101 1 13 ILE MG 1 26 TRP HA . . 4.740 3.876 3.588 4.252 . 0 0 "[ . 1 . 2]" 1
102 1 13 ILE MG 1 99 ILE MD . . 3.520 2.323 2.018 2.692 . 0 0 "[ . 1 . 2]" 1
103 1 14 LYS H 1 14 LYS HB3 . . 3.690 3.759 3.713 3.786 0.096 2 0 "[ . 1 . 2]" 1
104 1 14 LYS H 1 14 LYS HG3 . . 4.520 3.734 2.941 4.529 0.009 8 0 "[ . 1 . 2]" 1
105 1 14 LYS H 1 15 ILE H . . 4.880 4.389 4.031 4.511 . 0 0 "[ . 1 . 2]" 1
106 1 14 LYS H 1 24 LEU HA . . 5.100 4.704 4.288 5.158 0.058 5 0 "[ . 1 . 2]" 1
107 1 14 LYS H 1 25 THR H . . 3.870 2.914 2.601 3.299 . 0 0 "[ . 1 . 2]" 1
108 1 14 LYS H 1 25 THR HB . . 4.900 4.657 3.038 4.982 0.082 9 0 "[ . 1 . 2]" 1
109 1 14 LYS H 1 25 THR MG . . 4.830 4.087 2.456 4.818 . 0 0 "[ . 1 . 2]" 1
110 1 14 LYS H 1 26 TRP HA . . 3.890 3.670 3.234 3.948 0.058 13 0 "[ . 1 . 2]" 1
111 1 14 LYS HA 1 14 LYS HG3 . . 3.780 3.386 2.432 3.829 0.049 10 0 "[ . 1 . 2]" 1
112 1 14 LYS HA 1 15 ILE H . . 2.710 2.247 2.021 2.351 . 0 0 "[ . 1 . 2]" 1
113 1 14 LYS HB3 1 15 ILE H . . 3.630 2.855 2.414 3.235 . 0 0 "[ . 1 . 2]" 1
114 1 14 LYS HB3 1 25 THR H . . 4.980 4.766 4.141 5.057 0.077 16 0 "[ . 1 . 2]" 1
115 1 14 LYS HG3 1 15 ILE H . . 5.140 5.029 4.465 5.419 0.279 10 0 "[ . 1 . 2]" 1
116 1 15 ILE H 1 15 ILE HB . . 3.400 2.969 2.664 3.307 . 0 0 "[ . 1 . 2]" 1
117 1 15 ILE H 1 15 ILE MD . . 4.370 4.097 2.648 4.441 0.071 3 0 "[ . 1 . 2]" 1
118 1 15 ILE H 1 15 ILE HG13 . . 3.680 3.016 2.546 3.617 . 0 0 "[ . 1 . 2]" 1
119 1 15 ILE H 1 15 ILE MG . . 4.310 3.988 3.871 4.060 . 0 0 "[ . 1 . 2]" 1
120 1 15 ILE H 1 16 SER H . . 5.070 4.029 3.564 4.334 . 0 0 "[ . 1 . 2]" 1
121 1 15 ILE HA 1 15 ILE MD . . 4.010 3.960 3.613 4.090 0.080 12 0 "[ . 1 . 2]" 1
122 1 15 ILE HA 1 15 ILE HG13 . . 3.740 3.202 2.502 3.537 . 0 0 "[ . 1 . 2]" 1
123 1 15 ILE HA 1 15 ILE MG . . 3.230 2.329 2.215 2.459 . 0 0 "[ . 1 . 2]" 1
124 1 15 ILE HA 1 16 SER H . . 2.990 2.117 1.967 2.353 . 0 0 "[ . 1 . 2]" 1
125 1 15 ILE HA 1 23 HIS HB3 . . 4.640 4.391 3.137 4.532 . 0 0 "[ . 1 . 2]" 1
126 1 15 ILE HA 1 24 LEU HA . . 3.480 2.778 2.201 3.207 . 0 0 "[ . 1 . 2]" 1
127 1 15 ILE HA 1 24 LEU QD . . 4.440 3.348 2.514 4.153 . 0 0 "[ . 1 . 2]" 1
128 1 15 ILE HA 1 25 THR H . . 4.470 3.928 3.485 4.241 . 0 0 "[ . 1 . 2]" 1
129 1 15 ILE HB 1 15 ILE MD . . 3.440 2.406 2.215 2.581 . 0 0 "[ . 1 . 2]" 1
130 1 15 ILE HB 1 16 SER H . . 4.880 3.961 3.560 4.381 . 0 0 "[ . 1 . 2]" 1
131 1 15 ILE HB 1 115 TRP HD1 . . 4.470 2.747 2.290 3.520 . 0 0 "[ . 1 . 2]" 1
132 1 15 ILE HB 1 115 TRP HE1 . . 4.450 3.399 2.590 4.192 . 0 0 "[ . 1 . 2]" 1
133 1 15 ILE MD 1 15 ILE MG . . 3.420 2.201 2.059 3.119 . 0 0 "[ . 1 . 2]" 1
134 1 15 ILE MD 1 97 PHE QD . . 3.500 2.677 2.086 3.578 0.078 13 0 "[ . 1 . 2]" 1
135 1 15 ILE MD 1 113 VAL HB . . 4.660 3.437 2.495 3.934 . 0 0 "[ . 1 . 2]" 1
136 1 15 ILE MD 1 113 VAL QG . . 3.740 2.172 1.913 2.906 . 0 0 "[ . 1 . 2]" 1
137 1 15 ILE MD 1 114 ARG HA . . 5.500 4.616 4.023 5.469 . 0 0 "[ . 1 . 2]" 1
138 1 15 ILE MD 1 115 TRP H . . 5.070 4.101 3.433 4.944 . 0 0 "[ . 1 . 2]" 1
139 1 15 ILE MD 1 115 TRP HA . . 4.230 3.202 2.328 4.304 0.074 9 0 "[ . 1 . 2]" 1
140 1 15 ILE MD 1 115 TRP HD1 . . 4.290 3.301 2.433 4.206 . 0 0 "[ . 1 . 2]" 1
141 1 15 ILE MD 1 115 TRP HE1 . . 5.360 4.756 3.689 5.415 0.055 14 0 "[ . 1 . 2]" 1
142 1 15 ILE HG13 1 16 SER H . . 5.020 5.044 4.498 5.112 0.092 16 0 "[ . 1 . 2]" 1
143 1 15 ILE MG 1 16 SER H . . 3.350 2.611 2.145 3.380 0.030 13 0 "[ . 1 . 2]" 1
144 1 15 ILE MG 1 16 SER HA . . 4.620 3.842 3.349 4.332 . 0 0 "[ . 1 . 2]" 1
145 1 15 ILE MG 1 17 LYS H . . 5.500 4.718 2.385 5.601 0.101 16 0 "[ . 1 . 2]" 1
146 1 15 ILE MG 1 22 ALA MB . . 3.680 2.528 2.035 3.276 . 0 0 "[ . 1 . 2]" 1
147 1 15 ILE MG 1 23 HIS H . . 4.500 4.026 3.254 4.579 0.079 9 0 "[ . 1 . 2]" 1
148 1 15 ILE MG 1 24 LEU HA . . 4.550 3.254 2.412 3.838 . 0 0 "[ . 1 . 2]" 1
149 1 15 ILE MG 1 24 LEU QD . . 3.290 2.164 1.845 3.133 . 0 0 "[ . 1 . 2]" 1
150 1 15 ILE MG 1 24 LEU HG . . 4.010 3.388 2.076 4.124 0.114 19 0 "[ . 1 . 2]" 1
151 1 15 ILE MG 1 97 PHE QE . . 4.070 3.073 2.231 4.022 . 0 0 "[ . 1 . 2]" 1
152 1 15 ILE MG 1 115 TRP HB3 . . 5.170 3.984 3.467 5.123 . 0 0 "[ . 1 . 2]" 1
153 1 15 ILE MG 1 115 TRP HD1 . . 4.470 3.410 2.916 4.517 0.047 17 0 "[ . 1 . 2]" 1
154 1 15 ILE MG 1 115 TRP HE1 . . 4.390 3.107 2.458 3.684 . 0 0 "[ . 1 . 2]" 1
155 1 15 ILE MG 1 115 TRP HZ2 . . 5.370 3.591 2.753 4.263 . 0 0 "[ . 1 . 2]" 1
156 1 16 SER H 1 22 ALA MB . . 5.500 3.739 3.230 4.300 . 0 0 "[ . 1 . 2]" 1
157 1 16 SER H 1 23 HIS H . . 3.820 3.165 2.603 3.780 . 0 0 "[ . 1 . 2]" 1
158 1 16 SER H 1 23 HIS HB3 . . 3.890 3.613 2.104 4.000 0.110 14 0 "[ . 1 . 2]" 1
159 1 16 SER H 1 24 LEU HA . . 4.380 4.152 3.614 4.456 0.076 18 0 "[ . 1 . 2]" 1
160 1 16 SER HA 1 17 LYS H . . 2.800 2.379 2.125 2.856 0.056 17 0 "[ . 1 . 2]" 1
161 1 16 SER HA 1 115 TRP HE1 . . 5.140 3.239 1.996 5.213 0.073 13 0 "[ . 1 . 2]" 1
162 1 17 LYS H 1 17 LYS HB3 . . 3.480 2.657 2.202 3.575 0.095 17 0 "[ . 1 . 2]" 1
163 1 17 LYS H 1 115 TRP HZ2 . . 4.750 3.227 2.356 4.508 . 0 0 "[ . 1 . 2]" 1
164 1 17 LYS HA 1 18 SER H . . 2.780 2.368 2.255 2.803 0.023 17 0 "[ . 1 . 2]" 1
165 1 17 LYS HA 1 115 TRP HH2 . . 4.810 3.268 2.798 3.863 . 0 0 "[ . 1 . 2]" 1
166 1 17 LYS HA 1 115 TRP HZ2 . . 4.480 2.823 2.134 3.770 . 0 0 "[ . 1 . 2]" 1
167 1 17 LYS HB3 1 18 SER H . . 4.330 3.662 2.774 4.174 . 0 0 "[ . 1 . 2]" 1
168 1 17 LYS HB3 1 22 ALA HA . . 5.180 5.379 4.493 5.857 0.677 16 5 "[ .*-**1 .+ 2]" 1
169 1 17 LYS HB3 1 115 TRP HH2 . . 4.830 4.724 3.898 4.897 0.067 13 0 "[ . 1 . 2]" 1
170 1 17 LYS HB3 1 115 TRP HZ2 . . 3.940 3.719 3.494 4.026 0.086 2 0 "[ . 1 . 2]" 1
171 1 17 LYS HD3 1 115 TRP HH2 . . 5.080 3.884 2.128 5.043 . 0 0 "[ . 1 . 2]" 1
172 1 17 LYS HD3 1 115 TRP HZ2 . . 4.830 4.263 3.154 4.910 0.080 15 0 "[ . 1 . 2]" 1
173 1 18 SER H 1 18 SER HB3 . . 3.840 3.603 2.771 3.906 0.066 18 0 "[ . 1 . 2]" 1
174 1 18 SER H 1 19 PRO HD3 . . 5.300 5.007 4.823 5.290 . 0 0 "[ . 1 . 2]" 1
175 1 18 SER H 1 20 ASP H . . 4.990 4.626 3.919 5.046 0.056 18 0 "[ . 1 . 2]" 1
176 1 18 SER H 1 21 GLY H . . 3.990 3.577 3.123 4.039 0.049 2 0 "[ . 1 . 2]" 1
177 1 18 SER H 1 22 ALA HA . . 3.810 3.070 2.340 3.849 0.039 16 0 "[ . 1 . 2]" 1
178 1 18 SER H 1 22 ALA MB . . 5.490 4.160 3.702 4.852 . 0 0 "[ . 1 . 2]" 1
179 1 18 SER H 1 23 HIS H . . 4.710 4.446 3.747 4.788 0.078 3 0 "[ . 1 . 2]" 1
180 1 18 SER HA 1 19 PRO HB3 . . 5.290 5.072 4.806 5.337 0.047 18 0 "[ . 1 . 2]" 1
181 1 18 SER HA 1 19 PRO HD3 . . 2.970 2.649 2.474 2.989 0.019 3 0 "[ . 1 . 2]" 1
182 1 18 SER HA 1 19 PRO HG3 . . 5.090 4.796 4.705 4.927 . 0 0 "[ . 1 . 2]" 1
183 1 18 SER HA 1 20 ASP H . . 5.340 4.247 3.810 4.744 . 0 0 "[ . 1 . 2]" 1
184 1 18 SER HB3 1 20 ASP H . . 4.530 3.307 2.114 4.574 0.044 13 0 "[ . 1 . 2]" 1
185 1 18 SER HB3 1 21 GLY H . . 4.890 3.828 2.570 4.854 . 0 0 "[ . 1 . 2]" 1
186 1 19 PRO HA 1 21 GLY H . . 5.210 4.301 3.826 5.102 . 0 0 "[ . 1 . 2]" 1
187 1 19 PRO HB3 1 20 ASP H . . 4.520 4.297 4.013 4.542 0.022 20 0 "[ . 1 . 2]" 1
188 1 19 PRO HG3 1 20 ASP H . . 5.260 4.228 3.744 5.630 0.370 16 0 "[ . 1 . 2]" 1
189 1 20 ASP H 1 20 ASP HB3 . . 3.700 3.152 2.264 3.784 0.084 16 0 "[ . 1 . 2]" 1
190 1 20 ASP H 1 21 GLY H . . 3.230 2.514 2.182 3.155 . 0 0 "[ . 1 . 2]" 1
191 1 20 ASP HB3 1 21 GLY H . . 4.800 3.784 2.182 4.606 . 0 0 "[ . 1 . 2]" 1
192 1 21 GLY H 1 22 ALA H . . 4.750 4.254 3.825 4.590 . 0 0 "[ . 1 . 2]" 1
193 1 21 GLY QA 1 22 ALA H . . 3.120 2.260 2.125 2.467 . 0 0 "[ . 1 . 2]" 1
194 1 21 GLY QA 1 22 ALA MB . . 5.430 3.746 3.507 4.061 . 0 0 "[ . 1 . 2]" 1
195 1 21 GLY QA 1 76 LEU QD . . 4.960 2.974 1.974 3.692 . 0 0 "[ . 1 . 2]" 1
196 1 21 GLY QA 1 78 GLN H . . 5.500 4.489 3.968 4.776 . 0 0 "[ . 1 . 2]" 1
197 1 21 GLY QA 1 78 GLN HA . . 3.480 2.650 1.935 3.067 . 0 0 "[ . 1 . 2]" 1
198 1 21 GLY QA 1 79 SER H . . 3.870 2.755 2.379 3.330 . 0 0 "[ . 1 . 2]" 1
199 1 21 GLY QA 1 79 SER HA . . 4.410 3.259 2.485 4.000 . 0 0 "[ . 1 . 2]" 1
200 1 21 GLY QA 1 82 LEU QD . . 4.000 2.945 2.227 3.555 . 0 0 "[ . 1 . 2]" 1
201 1 22 ALA H 1 22 ALA MB . . 3.290 2.511 2.259 2.734 . 0 0 "[ . 1 . 2]" 1
202 1 22 ALA H 1 76 LEU QD . . 4.590 3.559 2.314 4.612 0.022 11 0 "[ . 1 . 2]" 1
203 1 22 ALA H 1 77 VAL H . . 3.840 2.890 2.091 3.909 0.069 9 0 "[ . 1 . 2]" 1
204 1 22 ALA H 1 77 VAL HB . . 3.970 3.668 2.877 4.080 0.110 19 0 "[ . 1 . 2]" 1
205 1 22 ALA H 1 77 VAL QG . . 4.900 3.429 1.914 4.429 . 0 0 "[ . 1 . 2]" 1
206 1 22 ALA H 1 78 GLN HA . . 4.980 4.317 3.511 4.930 . 0 0 "[ . 1 . 2]" 1
207 1 22 ALA H 1 82 LEU QD . . 3.900 3.140 2.240 3.804 . 0 0 "[ . 1 . 2]" 1
208 1 22 ALA HA 1 23 HIS H . . 2.800 2.210 2.009 2.754 . 0 0 "[ . 1 . 2]" 1
209 1 22 ALA HA 1 23 HIS HB3 . . 4.540 5.546 4.841 5.761 1.221 18 19 "[** **************+*-]" 1
210 1 22 ALA HA 1 24 LEU QD . . 4.440 4.084 3.630 4.496 0.056 15 0 "[ . 1 . 2]" 1
211 1 22 ALA HA 1 115 TRP HH2 . . 5.280 4.295 3.617 5.251 . 0 0 "[ . 1 . 2]" 1
212 1 22 ALA MB 1 23 HIS H . . 3.450 2.928 1.993 3.392 . 0 0 "[ . 1 . 2]" 1
213 1 22 ALA MB 1 24 LEU QD . . 3.660 2.213 1.909 3.131 . 0 0 "[ . 1 . 2]" 1
214 1 22 ALA MB 1 82 LEU QD . . 3.260 2.286 1.877 2.951 . 0 0 "[ . 1 . 2]" 1
215 1 22 ALA MB 1 115 TRP HH2 . . 4.060 2.837 2.124 3.907 . 0 0 "[ . 1 . 2]" 1
216 1 22 ALA MB 1 115 TRP HZ2 . . 5.420 3.577 2.860 4.855 . 0 0 "[ . 1 . 2]" 1
217 1 22 ALA MB 1 115 TRP HZ3 . . 3.490 3.424 2.669 3.599 0.109 7 0 "[ . 1 . 2]" 1
218 1 23 HIS H 1 23 HIS HB3 . . 3.470 3.413 2.665 3.621 0.151 18 0 "[ . 1 . 2]" 1
219 1 23 HIS H 1 24 LEU QD . . 5.500 3.776 2.683 4.141 . 0 0 "[ . 1 . 2]" 1
220 1 23 HIS HA 1 24 LEU H . . 3.030 2.298 2.176 2.809 . 0 0 "[ . 1 . 2]" 1
221 1 23 HIS HA 1 24 LEU HB3 . . 4.860 5.700 5.356 6.076 1.216 3 19 [**+-***************2] 1
222 1 23 HIS HA 1 24 LEU QD . . 4.210 3.729 3.260 4.185 . 0 0 "[ . 1 . 2]" 1
223 1 23 HIS HB3 1 24 LEU H . . 4.670 3.615 2.667 4.236 . 0 0 "[ . 1 . 2]" 1
224 1 24 LEU H 1 24 LEU HB3 . . 3.550 3.611 3.242 3.844 0.294 1 0 "[ . 1 . 2]" 1
225 1 24 LEU H 1 24 LEU QD . . 3.290 2.896 2.188 3.309 0.019 10 0 "[ . 1 . 2]" 1
226 1 24 LEU H 1 24 LEU HG . . 4.090 3.901 2.827 4.168 0.078 11 0 "[ . 1 . 2]" 1
227 1 24 LEU HA 1 24 LEU QD . . 3.900 2.453 1.964 3.106 . 0 0 "[ . 1 . 2]" 1
228 1 24 LEU HA 1 24 LEU HG . . 3.560 3.082 2.159 3.658 0.098 18 0 "[ . 1 . 2]" 1
229 1 24 LEU HA 1 25 THR H . . 2.850 2.307 2.173 2.560 . 0 0 "[ . 1 . 2]" 1
230 1 24 LEU HA 1 25 THR MG . . 5.440 4.027 3.551 5.485 0.045 8 0 "[ . 1 . 2]" 1
231 1 24 LEU HB3 1 77 VAL QG . . 5.300 4.559 3.311 5.473 0.173 1 0 "[ . 1 . 2]" 1
232 1 24 LEU QD 1 25 THR H . . 5.500 3.677 2.934 4.369 . 0 0 "[ . 1 . 2]" 1
233 1 24 LEU QD 1 26 TRP HH2 . . 4.550 3.514 2.358 4.377 . 0 0 "[ . 1 . 2]" 1
234 1 24 LEU QD 1 41 VAL QG . . 3.850 2.851 1.972 3.415 . 0 0 "[ . 1 . 2]" 1
235 1 24 LEU QD 1 77 VAL H . . 3.980 3.353 2.541 4.036 0.056 3 0 "[ . 1 . 2]" 1
236 1 24 LEU QD 1 77 VAL HB . . 4.300 2.711 2.083 3.475 . 0 0 "[ . 1 . 2]" 1
237 1 24 LEU QD 1 77 VAL QG . . 3.220 2.258 1.913 3.009 . 0 0 "[ . 1 . 2]" 1
238 1 24 LEU QD 1 82 LEU QD . . 5.500 3.453 2.708 3.954 . 0 0 "[ . 1 . 2]" 1
239 1 24 LEU QD 1 97 PHE HB3 . . 4.360 3.942 3.456 4.316 . 0 0 "[ . 1 . 2]" 1
240 1 24 LEU QD 1 97 PHE QD . . 3.840 3.227 2.937 3.602 . 0 0 "[ . 1 . 2]" 1
241 1 24 LEU QD 1 97 PHE QE . . 3.800 2.833 2.521 3.386 . 0 0 "[ . 1 . 2]" 1
242 1 24 LEU QD 1 99 ILE MD . . 3.860 3.104 2.249 3.840 . 0 0 "[ . 1 . 2]" 1
243 1 24 LEU HG 1 25 THR H . . 5.430 4.897 3.927 5.516 0.086 3 0 "[ . 1 . 2]" 1
244 1 24 LEU HG 1 26 TRP HH2 . . 5.500 4.769 3.602 5.588 0.088 10 0 "[ . 1 . 2]" 1
245 1 25 THR H 1 25 THR HB . . 4.140 3.675 2.664 3.997 . 0 0 "[ . 1 . 2]" 1
246 1 25 THR H 1 25 THR MG . . 3.750 2.993 2.340 3.871 0.121 17 0 "[ . 1 . 2]" 1
247 1 25 THR H 1 26 TRP H . . 5.360 4.381 4.215 4.542 . 0 0 "[ . 1 . 2]" 1
248 1 25 THR HA 1 25 THR MG . . 3.350 2.682 2.091 3.263 . 0 0 "[ . 1 . 2]" 1
249 1 25 THR HA 1 26 TRP H . . 3.110 2.365 2.157 2.508 . 0 0 "[ . 1 . 2]" 1
250 1 25 THR HA 1 74 SER HA . . 3.540 2.936 2.121 3.632 0.092 12 0 "[ . 1 . 2]" 1
251 1 25 THR HA 1 74 SER HB3 . . 3.800 2.772 1.987 4.058 0.258 3 0 "[ . 1 . 2]" 1
252 1 25 THR HB 1 26 TRP H . . 3.770 3.036 2.283 3.856 0.086 20 0 "[ . 1 . 2]" 1
253 1 25 THR HB 1 74 SER HB3 . . 4.600 3.632 2.352 5.229 0.629 3 1 "[ + . 1 . 2]" 1
254 1 25 THR MG 1 26 TRP H . . 3.950 3.636 2.292 4.050 0.100 5 0 "[ . 1 . 2]" 1
255 1 25 THR MG 1 74 SER HB3 . . 4.020 3.389 2.401 5.314 1.294 19 2 "[ - . 1 . +2]" 1
256 1 26 TRP H 1 27 GLU H . . 5.050 4.378 4.247 4.509 . 0 0 "[ . 1 . 2]" 1
257 1 26 TRP H 1 74 SER HA . . 4.390 4.175 3.520 4.482 0.092 3 0 "[ . 1 . 2]" 1
258 1 26 TRP H 1 74 SER HB3 . . 4.560 3.633 2.809 4.324 . 0 0 "[ . 1 . 2]" 1
259 1 26 TRP HA 1 26 TRP HD1 . . 5.180 4.298 2.923 4.813 . 0 0 "[ . 1 . 2]" 1
260 1 26 TRP HA 1 27 GLU H . . 3.120 2.516 2.147 2.688 . 0 0 "[ . 1 . 2]" 1
261 1 26 TRP HB3 1 27 GLU H . . 3.220 3.122 2.320 3.627 0.407 10 0 "[ . 1 . 2]" 1
262 1 26 TRP HB3 1 27 GLU HB3 . . 5.270 6.271 4.995 7.135 1.865 16 17 "[******-**** **.+***2]" 1
263 1 26 TRP HB3 1 99 ILE MD . . 5.500 3.640 2.471 4.748 . 0 0 "[ . 1 . 2]" 1
264 1 26 TRP HH2 1 41 VAL QG . . 4.180 2.627 1.953 4.050 . 0 0 "[ . 1 . 2]" 1
265 1 26 TRP HH2 1 74 SER HA . . 4.610 3.887 3.307 4.677 0.067 18 0 "[ . 1 . 2]" 1
266 1 26 TRP HH2 1 75 CYS H . . 3.920 3.515 2.893 3.989 0.069 11 0 "[ . 1 . 2]" 1
267 1 26 TRP HZ2 1 99 ILE MD . . 4.800 4.698 3.334 4.905 0.105 8 0 "[ . 1 . 2]" 1
268 1 26 TRP HZ2 1 99 ILE HG13 . . 5.500 6.261 4.480 7.231 1.731 3 14 "[ + .***-**** .*****]" 1
269 1 27 GLU H 1 27 GLU HB3 . . 3.510 3.270 2.555 3.866 0.356 5 0 "[ . 1 . 2]" 1
270 1 27 GLU HA 1 28 PRO HD3 . . 3.050 2.482 2.278 2.665 . 0 0 "[ . 1 . 2]" 1
271 1 27 GLU HB3 1 28 PRO HD3 . . 4.480 3.988 3.564 4.712 0.232 8 0 "[ . 1 . 2]" 1
272 1 29 PRO HD3 1 36 ILE MD . . 5.150 4.059 3.278 5.229 0.079 8 0 "[ . 1 . 2]" 1
273 1 29 PRO HD3 1 36 ILE MG . . 5.340 4.687 3.455 5.884 0.544 1 1 "[+ . 1 . 2]" 1
274 1 30 SER H 1 30 SER HA . . 2.930 2.871 2.154 2.978 0.048 20 0 "[ . 1 . 2]" 1
275 1 30 SER H 1 31 VAL HA . . 4.540 4.560 4.394 4.639 0.099 14 0 "[ . 1 . 2]" 1
276 1 30 SER H 1 31 VAL QG . . 5.490 2.929 2.066 4.516 . 0 0 "[ . 1 . 2]" 1
277 1 30 SER HA 1 31 VAL H . . 2.920 2.708 2.096 3.007 0.087 9 0 "[ . 1 . 2]" 1
278 1 30 SER HA 1 31 VAL QG . . 4.410 4.072 3.307 4.510 0.100 12 0 "[ . 1 . 2]" 1
279 1 31 VAL H 1 31 VAL HA . . 2.880 2.911 2.736 2.963 0.083 2 0 "[ . 1 . 2]" 1
280 1 31 VAL H 1 31 VAL QG . . 4.130 2.470 1.884 3.141 . 0 0 "[ . 1 . 2]" 1
281 1 31 VAL H 1 32 THR H . . 3.140 2.493 1.955 3.101 . 0 0 "[ . 1 . 2]" 1
282 1 31 VAL H 1 32 THR MG . . 5.150 4.515 3.382 5.202 0.052 20 0 "[ . 1 . 2]" 1
283 1 31 VAL HA 1 31 VAL QG . . 3.120 2.159 2.104 2.204 . 0 0 "[ . 1 . 2]" 1
284 1 31 VAL HB 1 32 THR H . . 3.110 2.759 1.919 3.199 0.089 19 0 "[ . 1 . 2]" 1
285 1 31 VAL QG 1 32 THR H . . 4.270 2.668 1.742 3.496 . 0 0 "[ . 1 . 2]" 1
286 1 32 THR H 1 32 THR MG . . 3.260 2.826 2.099 3.346 0.086 17 0 "[ . 1 . 2]" 1
287 1 32 THR HA 1 32 THR HB . . 2.480 2.469 2.314 2.546 0.066 7 0 "[ . 1 . 2]" 1
288 1 32 THR HA 1 33 SER H . . 3.180 2.516 2.135 3.211 0.031 15 0 "[ . 1 . 2]" 1
289 1 32 THR HB 1 34 GLY H . . 5.500 4.463 3.407 5.568 0.068 19 0 "[ . 1 . 2]" 1
290 1 32 THR MG 1 33 SER H . . 3.930 3.709 3.208 4.039 0.109 15 0 "[ . 1 . 2]" 1
291 1 33 SER H 1 34 GLY H . . 4.060 3.205 2.844 3.475 . 0 0 "[ . 1 . 2]" 1
292 1 34 GLY H 1 35 LYS H . . 4.430 4.250 2.562 4.518 0.088 15 0 "[ . 1 . 2]" 1
293 1 34 GLY H 1 35 LYS HA . . 5.500 5.371 4.644 5.583 0.083 10 0 "[ . 1 . 2]" 1
294 1 34 GLY H 1 36 ILE MD . . 5.020 4.433 3.384 5.106 0.086 10 0 "[ . 1 . 2]" 1
295 1 34 GLY HA2 1 35 LYS H . . 3.160 2.499 2.054 3.231 0.071 7 0 "[ . 1 . 2]" 1
296 1 34 GLY HA3 1 35 LYS H . . 3.240 2.780 2.116 3.256 0.016 7 0 "[ . 1 . 2]" 1
297 1 34 GLY HA3 1 36 ILE MD . . 3.790 2.784 2.302 3.883 0.093 7 0 "[ . 1 . 2]" 1
298 1 35 LYS H 1 35 LYS HG3 . . 4.430 3.577 1.975 4.510 0.080 15 0 "[ . 1 . 2]" 1
299 1 35 LYS H 1 36 ILE H . . 4.570 3.631 2.985 4.177 . 0 0 "[ . 1 . 2]" 1
300 1 35 LYS H 1 103 ASN HA . . 5.120 4.886 4.094 5.210 0.090 7 0 "[ . 1 . 2]" 1
301 1 35 LYS H 1 103 ASN HB3 . . 4.820 4.090 3.110 4.877 0.057 8 0 "[ . 1 . 2]" 1
302 1 35 LYS H 1 103 ASN QD . . 5.500 4.730 3.205 5.608 0.108 1 0 "[ . 1 . 2]" 1
303 1 35 LYS H 1 104 GLU H . . 4.400 3.976 3.372 4.478 0.078 7 0 "[ . 1 . 2]" 1
304 1 35 LYS HA 1 35 LYS HG3 . . 3.940 3.038 2.179 4.061 0.121 11 0 "[ . 1 . 2]" 1
305 1 35 LYS HA 1 36 ILE H . . 2.650 2.260 2.019 2.548 . 0 0 "[ . 1 . 2]" 1
306 1 35 LYS HA 1 36 ILE HB . . 4.750 4.559 4.222 4.809 0.059 13 0 "[ . 1 . 2]" 1
307 1 35 LYS HA 1 36 ILE MD . . 5.420 3.723 3.167 4.147 . 0 0 "[ . 1 . 2]" 1
308 1 35 LYS HG3 1 36 ILE H . . 4.480 4.958 4.233 5.502 1.022 5 12 "[** *+* ***- . * **]" 1
309 1 36 ILE H 1 36 ILE HB . . 3.030 2.358 2.248 2.443 . 0 0 "[ . 1 . 2]" 1
310 1 36 ILE H 1 36 ILE MD . . 4.120 2.397 1.932 2.642 . 0 0 "[ . 1 . 2]" 1
311 1 36 ILE H 1 36 ILE HG13 . . 4.190 3.879 3.620 4.116 . 0 0 "[ . 1 . 2]" 1
312 1 36 ILE H 1 36 ILE MG . . 4.440 3.751 3.684 3.812 . 0 0 "[ . 1 . 2]" 1
313 1 36 ILE HA 1 36 ILE MD . . 2.990 2.899 2.713 3.037 0.047 1 0 "[ . 1 . 2]" 1
314 1 36 ILE HA 1 36 ILE MG . . 3.270 2.582 2.479 2.693 . 0 0 "[ . 1 . 2]" 1
315 1 36 ILE HA 1 37 ILE H . . 2.920 2.194 2.101 2.303 . 0 0 "[ . 1 . 2]" 1
316 1 36 ILE HA 1 38 GLU H . . 4.310 3.734 3.546 3.997 . 0 0 "[ . 1 . 2]" 1
317 1 36 ILE HA 1 103 ASN HA . . 3.460 2.310 2.051 2.776 . 0 0 "[ . 1 . 2]" 1
318 1 36 ILE HA 1 103 ASN HB3 . . 4.360 2.502 2.175 3.070 . 0 0 "[ . 1 . 2]" 1
319 1 36 ILE HB 1 37 ILE H . . 5.500 4.163 4.014 4.374 . 0 0 "[ . 1 . 2]" 1
320 1 36 ILE MD 1 36 ILE MG . . 3.410 3.261 3.215 3.294 . 0 0 "[ . 1 . 2]" 1
321 1 36 ILE MD 1 39 TYR QE . . 5.300 4.779 4.178 5.403 0.103 8 0 "[ . 1 . 2]" 1
322 1 36 ILE MD 1 101 ALA HA . . 5.240 5.299 5.090 5.352 0.112 18 0 "[ . 1 . 2]" 1
323 1 36 ILE MD 1 101 ALA MB . . 3.470 3.000 2.790 3.143 . 0 0 "[ . 1 . 2]" 1
324 1 36 ILE MD 1 103 ASN HA . . 4.360 4.125 3.786 4.410 0.050 3 0 "[ . 1 . 2]" 1
325 1 36 ILE MD 1 103 ASN HB3 . . 3.930 2.472 2.228 2.803 . 0 0 "[ . 1 . 2]" 1
326 1 36 ILE MD 1 103 ASN QD . . 4.960 3.597 2.009 4.914 . 0 0 "[ . 1 . 2]" 1
327 1 36 ILE HG13 1 36 ILE MG . . 3.140 2.418 2.337 2.489 . 0 0 "[ . 1 . 2]" 1
328 1 36 ILE HG13 1 37 ILE H . . 5.500 3.943 3.717 4.317 . 0 0 "[ . 1 . 2]" 1
329 1 36 ILE HG13 1 103 ASN HB3 . . 4.550 2.390 2.163 2.878 . 0 0 "[ . 1 . 2]" 1
330 1 36 ILE MG 1 37 ILE H . . 3.310 2.465 2.233 2.824 . 0 0 "[ . 1 . 2]" 1
331 1 36 ILE MG 1 38 GLU H . . 3.340 2.552 2.312 2.948 . 0 0 "[ . 1 . 2]" 1
332 1 36 ILE MG 1 39 TYR QE . . 4.520 2.499 2.087 3.515 . 0 0 "[ . 1 . 2]" 1
333 1 36 ILE MG 1 101 ALA HA . . 4.640 3.701 3.211 4.085 . 0 0 "[ . 1 . 2]" 1
334 1 36 ILE MG 1 101 ALA MB . . 3.540 2.838 2.116 3.304 . 0 0 "[ . 1 . 2]" 1
335 1 36 ILE MG 1 102 ARG H . . 4.090 3.243 2.703 3.706 . 0 0 "[ . 1 . 2]" 1
336 1 36 ILE MG 1 103 ASN HB3 . . 4.900 4.004 3.622 4.358 . 0 0 "[ . 1 . 2]" 1
337 1 37 ILE H 1 37 ILE HB . . 3.680 3.732 3.670 3.752 0.072 9 0 "[ . 1 . 2]" 1
338 1 37 ILE H 1 37 ILE MD . . 3.850 3.909 3.761 3.939 0.089 9 0 "[ . 1 . 2]" 1
339 1 37 ILE H 1 37 ILE HG13 . . 3.820 2.680 2.508 2.943 . 0 0 "[ . 1 . 2]" 1
340 1 37 ILE H 1 37 ILE MG . . 3.700 3.152 2.929 3.338 . 0 0 "[ . 1 . 2]" 1
341 1 37 ILE H 1 38 GLU H . . 3.020 1.830 1.740 1.994 . 0 0 "[ . 1 . 2]" 1
342 1 37 ILE H 1 103 ASN HA . . 3.450 2.948 2.445 3.392 . 0 0 "[ . 1 . 2]" 1
343 1 37 ILE HA 1 37 ILE MG . . 3.080 2.236 2.159 2.274 . 0 0 "[ . 1 . 2]" 1
344 1 37 ILE HB 1 37 ILE MD . . 3.160 2.410 2.335 2.486 . 0 0 "[ . 1 . 2]" 1
345 1 37 ILE HB 1 38 GLU H . . 3.970 4.017 3.916 4.050 0.080 18 0 "[ . 1 . 2]" 1
346 1 37 ILE HB 1 103 ASN HA . . 5.490 5.405 5.091 5.567 0.077 7 0 "[ . 1 . 2]" 1
347 1 37 ILE MD 1 38 GLU H . . 4.310 4.312 4.184 4.390 0.080 18 0 "[ . 1 . 2]" 1
348 1 37 ILE MD 1 103 ASN HA . . 4.290 3.726 3.274 4.131 . 0 0 "[ . 1 . 2]" 1
349 1 37 ILE MD 1 104 GLU H . . 4.590 4.195 3.308 4.595 0.005 4 0 "[ . 1 . 2]" 1
350 1 37 ILE MD 1 104 GLU HA . . 3.690 3.633 2.570 3.793 0.103 10 0 "[ . 1 . 2]" 1
351 1 37 ILE MD 1 104 GLU HG3 . . 4.370 3.952 2.632 4.808 0.438 6 0 "[ . 1 . 2]" 1
352 1 37 ILE HG13 1 38 GLU H . . 4.190 2.704 2.530 2.817 . 0 0 "[ . 1 . 2]" 1
353 1 37 ILE HG13 1 102 ARG HA . . 5.040 4.935 4.566 5.112 0.072 11 0 "[ . 1 . 2]" 1
354 1 37 ILE HG13 1 103 ASN HA . . 4.550 3.852 3.175 4.401 . 0 0 "[ . 1 . 2]" 1
355 1 37 ILE MG 1 38 GLU H . . 4.250 4.291 4.161 4.346 0.096 6 0 "[ . 1 . 2]" 1
356 1 37 ILE MG 1 103 ASN HA . . 4.460 3.646 3.340 3.876 . 0 0 "[ . 1 . 2]" 1
357 1 37 ILE MG 1 104 GLU H . . 5.010 4.103 3.326 4.559 . 0 0 "[ . 1 . 2]" 1
358 1 37 ILE MG 1 104 GLU HA . . 5.170 4.901 4.225 5.276 0.106 20 0 "[ . 1 . 2]" 1
359 1 37 ILE MG 1 104 GLU HG3 . . 4.700 3.713 2.486 5.576 0.876 6 1 "[ .+ 1 . 2]" 1
360 1 38 GLU H 1 39 TYR H . . 5.020 4.313 4.254 4.398 . 0 0 "[ . 1 . 2]" 1
361 1 38 GLU H 1 102 ARG H . . 3.840 3.456 3.249 3.759 . 0 0 "[ . 1 . 2]" 1
362 1 38 GLU H 1 102 ARG HB3 . . 4.910 2.546 2.297 3.142 . 0 0 "[ . 1 . 2]" 1
363 1 38 GLU H 1 103 ASN HA . . 5.040 4.343 3.968 4.787 . 0 0 "[ . 1 . 2]" 1
364 1 38 GLU HA 1 39 TYR H . . 2.970 2.783 2.585 2.917 . 0 0 "[ . 1 . 2]" 1
365 1 38 GLU HG3 1 39 TYR H . . 4.090 2.974 1.694 4.161 0.071 19 0 "[ . 1 . 2]" 1
366 1 39 TYR H 1 39 TYR HB3 . . 4.030 3.602 3.351 3.794 . 0 0 "[ . 1 . 2]" 1
367 1 39 TYR H 1 68 TYR QE . . 5.060 3.485 2.317 4.548 . 0 0 "[ . 1 . 2]" 1
368 1 39 TYR HA 1 39 TYR QD . . 3.990 3.002 2.751 3.183 . 0 0 "[ . 1 . 2]" 1
369 1 39 TYR HA 1 39 TYR HD2 . . 4.860 3.429 3.086 3.906 . 0 0 "[ . 1 . 2]" 1
370 1 39 TYR HA 1 40 SER H . . 3.100 2.518 2.354 2.723 . 0 0 "[ . 1 . 2]" 1
371 1 39 TYR HA 1 100 ALA H . . 5.090 4.941 4.674 5.163 0.073 13 0 "[ . 1 . 2]" 1
372 1 39 TYR HA 1 101 ALA HA . . 3.370 2.702 2.305 3.122 . 0 0 "[ . 1 . 2]" 1
373 1 39 TYR HA 1 101 ALA MB . . 4.710 4.221 3.787 4.592 . 0 0 "[ . 1 . 2]" 1
374 1 39 TYR HA 1 102 ARG H . . 4.200 2.130 1.940 2.421 . 0 0 "[ . 1 . 2]" 1
375 1 39 TYR HA 1 102 ARG HA . . 5.280 4.495 4.209 4.814 . 0 0 "[ . 1 . 2]" 1
376 1 39 TYR HA 1 107 TYR QE . . 4.130 3.685 2.700 4.216 0.086 9 0 "[ . 1 . 2]" 1
377 1 39 TYR HB3 1 40 SER H . . 3.510 2.532 1.868 3.042 . 0 0 "[ . 1 . 2]" 1
378 1 39 TYR HB3 1 68 TYR QE . . 4.660 3.812 2.314 4.669 0.009 2 0 "[ . 1 . 2]" 1
379 1 39 TYR HB3 1 99 ILE MG . . 4.480 3.824 2.856 4.379 . 0 0 "[ . 1 . 2]" 1
380 1 39 TYR HB3 1 101 ALA HA . . 5.080 4.312 3.500 4.912 . 0 0 "[ . 1 . 2]" 1
381 1 39 TYR QD 1 99 ILE MG . . 4.570 2.600 2.038 3.278 . 0 0 "[ . 1 . 2]" 1
382 1 39 TYR QD 1 101 ALA HA . . 3.940 2.965 2.571 3.223 . 0 0 "[ . 1 . 2]" 1
383 1 39 TYR QD 1 101 ALA MB . . 4.280 3.693 3.147 4.048 . 0 0 "[ . 1 . 2]" 1
384 1 39 TYR HD1 1 101 ALA HA . . 4.380 3.831 2.778 4.881 0.501 20 1 "[ . 1 . +]" 1
385 1 39 TYR HD1 1 101 ALA MB . . 4.560 4.526 3.863 5.406 0.846 20 3 "[ . *1- . +]" 1
386 1 39 TYR HD2 1 101 ALA HA . . 4.820 3.356 2.581 4.441 . 0 0 "[ . 1 . 2]" 1
387 1 39 TYR HD2 1 101 ALA MB . . 5.370 4.062 3.182 4.640 . 0 0 "[ . 1 . 2]" 1
388 1 39 TYR QE 1 99 ILE MG . . 5.450 2.964 2.111 4.414 . 0 0 "[ . 1 . 2]" 1
389 1 39 TYR QE 1 101 ALA MB . . 4.580 2.756 2.304 3.048 . 0 0 "[ . 1 . 2]" 1
390 1 40 SER H 1 99 ILE MG . . 5.310 3.701 3.269 4.579 . 0 0 "[ . 1 . 2]" 1
391 1 40 SER H 1 100 ALA MB . . 4.770 4.267 3.819 4.819 0.049 10 0 "[ . 1 . 2]" 1
392 1 40 SER H 1 101 ALA HA . . 4.260 4.002 3.550 4.330 0.070 10 0 "[ . 1 . 2]" 1
393 1 40 SER H 1 107 TYR QE . . 3.710 3.587 3.093 3.798 0.088 12 0 "[ . 1 . 2]" 1
394 1 40 SER HA 1 41 VAL H . . 2.970 2.352 2.178 2.571 . 0 0 "[ . 1 . 2]" 1
395 1 40 SER HA 1 41 VAL HB . . 4.520 4.485 3.884 4.600 0.080 20 0 "[ . 1 . 2]" 1
396 1 40 SER HA 1 41 VAL QG . . 4.600 3.354 2.988 3.920 . 0 0 "[ . 1 . 2]" 1
397 1 40 SER HB3 1 41 VAL H . . 3.960 2.990 2.444 3.890 . 0 0 "[ . 1 . 2]" 1
398 1 40 SER HB3 1 42 TYR QE . . 4.950 3.082 2.253 3.992 . 0 0 "[ . 1 . 2]" 1
399 1 40 SER HB3 1 100 ALA H . . 5.290 4.578 3.231 5.340 0.050 6 0 "[ . 1 . 2]" 1
400 1 41 VAL H 1 41 VAL HB . . 3.640 2.887 2.674 3.343 . 0 0 "[ . 1 . 2]" 1
401 1 41 VAL H 1 41 VAL QG . . 3.810 2.882 2.652 3.006 . 0 0 "[ . 1 . 2]" 1
402 1 41 VAL H 1 67 VAL H . . 5.500 4.988 3.628 5.547 0.047 17 0 "[ . 1 . 2]" 1
403 1 41 VAL H 1 68 TYR H . . 3.830 3.362 2.612 3.870 0.040 20 0 "[ . 1 . 2]" 1
404 1 41 VAL H 1 68 TYR HB3 . . 4.110 2.403 1.930 2.895 . 0 0 "[ . 1 . 2]" 1
405 1 41 VAL HA 1 42 TYR H . . 3.000 2.169 2.070 2.294 . 0 0 "[ . 1 . 2]" 1
406 1 41 VAL HA 1 42 TYR HA . . 4.770 4.440 4.251 4.538 . 0 0 "[ . 1 . 2]" 1
407 1 41 VAL HA 1 42 TYR QD . . 5.060 4.005 3.159 4.639 . 0 0 "[ . 1 . 2]" 1
408 1 41 VAL HA 1 99 ILE HA . . 3.540 2.473 2.152 2.900 . 0 0 "[ . 1 . 2]" 1
409 1 41 VAL HA 1 99 ILE MD . . 5.480 4.775 4.371 5.234 . 0 0 "[ . 1 . 2]" 1
410 1 41 VAL HA 1 99 ILE HG13 . . 4.250 3.810 2.802 5.440 1.190 9 1 "[ . +1 . 2]" 1
411 1 41 VAL HA 1 99 ILE MG . . 4.080 3.514 3.095 3.992 . 0 0 "[ . 1 . 2]" 1
412 1 41 VAL HA 1 100 ALA H . . 4.750 3.961 3.292 4.499 . 0 0 "[ . 1 . 2]" 1
413 1 41 VAL HB 1 42 TYR H . . 5.130 4.195 3.870 4.500 . 0 0 "[ . 1 . 2]" 1
414 1 41 VAL HB 1 67 VAL H . . 5.500 4.633 4.063 5.587 0.087 1 0 "[ . 1 . 2]" 1
415 1 41 VAL HB 1 68 TYR H . . 4.090 3.281 2.677 4.193 0.103 1 0 "[ . 1 . 2]" 1
416 1 41 VAL HB 1 68 TYR HB3 . . 3.500 3.426 2.180 3.789 0.289 9 0 "[ . 1 . 2]" 1
417 1 41 VAL QG 1 42 TYR H . . 3.560 2.810 2.285 3.479 . 0 0 "[ . 1 . 2]" 1
418 1 41 VAL QG 1 42 TYR HA . . 4.590 3.866 3.315 4.223 . 0 0 "[ . 1 . 2]" 1
419 1 41 VAL QG 1 68 TYR H . . 4.890 3.678 1.973 4.430 . 0 0 "[ . 1 . 2]" 1
420 1 41 VAL QG 1 68 TYR HB3 . . 3.740 3.451 2.133 4.090 0.350 5 0 "[ . 1 . 2]" 1
421 1 41 VAL QG 1 68 TYR QE . . 4.290 3.820 2.860 4.277 . 0 0 "[ . 1 . 2]" 1
422 1 41 VAL QG 1 97 PHE HA . . 4.790 4.086 3.140 4.717 . 0 0 "[ . 1 . 2]" 1
423 1 41 VAL QG 1 97 PHE HB3 . . 4.060 3.163 2.088 3.651 . 0 0 "[ . 1 . 2]" 1
424 1 41 VAL QG 1 97 PHE QD . . 3.450 2.525 1.953 3.529 0.079 6 0 "[ . 1 . 2]" 1
425 1 41 VAL QG 1 98 ARG H . . 4.560 3.634 2.734 4.318 . 0 0 "[ . 1 . 2]" 1
426 1 41 VAL QG 1 99 ILE HA . . 4.030 3.034 1.963 3.663 . 0 0 "[ . 1 . 2]" 1
427 1 41 VAL QG 1 99 ILE MD . . 4.040 3.049 2.479 3.422 . 0 0 "[ . 1 . 2]" 1
428 1 41 VAL QG 1 99 ILE MG . . 3.550 2.323 2.043 3.184 . 0 0 "[ . 1 . 2]" 1
429 1 41 VAL QG 1 100 ALA H . . 5.280 4.096 3.143 4.687 . 0 0 "[ . 1 . 2]" 1
430 1 42 TYR H 1 42 TYR HB3 . . 3.750 3.743 3.579 3.865 0.115 4 0 "[ . 1 . 2]" 1
431 1 42 TYR H 1 42 TYR QD . . 3.750 3.002 2.220 3.617 . 0 0 "[ . 1 . 2]" 1
432 1 42 TYR H 1 67 VAL QG . . 5.050 4.201 3.608 4.731 . 0 0 "[ . 1 . 2]" 1
433 1 42 TYR H 1 97 PHE HA . . 5.260 4.748 4.298 5.310 0.050 11 0 "[ . 1 . 2]" 1
434 1 42 TYR H 1 98 ARG H . . 3.610 3.042 2.722 3.580 . 0 0 "[ . 1 . 2]" 1
435 1 42 TYR H 1 99 ILE HA . . 4.380 3.627 3.265 3.924 . 0 0 "[ . 1 . 2]" 1
436 1 42 TYR H 1 99 ILE HG13 . . 5.330 4.397 3.445 5.831 0.501 9 1 "[ . +1 . 2]" 1
437 1 42 TYR H 1 99 ILE MG . . 5.500 5.090 4.810 5.522 0.022 8 0 "[ . 1 . 2]" 1
438 1 42 TYR HA 1 42 TYR QD . . 4.100 2.831 2.378 3.234 . 0 0 "[ . 1 . 2]" 1
439 1 42 TYR HA 1 42 TYR QE . . 5.240 4.809 4.611 4.938 . 0 0 "[ . 1 . 2]" 1
440 1 42 TYR HA 1 43 LEU H . . 3.010 2.221 2.074 2.407 . 0 0 "[ . 1 . 2]" 1
441 1 42 TYR HA 1 43 LEU HB3 . . 4.670 4.420 4.056 5.145 0.475 4 0 "[ . 1 . 2]" 1
442 1 42 TYR HA 1 65 MET H . . 4.930 4.416 3.805 4.931 0.001 19 0 "[ . 1 . 2]" 1
443 1 42 TYR HA 1 66 ARG HA . . 3.270 2.519 2.037 2.837 . 0 0 "[ . 1 . 2]" 1
444 1 42 TYR HA 1 67 VAL H . . 3.610 3.023 2.135 3.517 . 0 0 "[ . 1 . 2]" 1
445 1 42 TYR HA 1 67 VAL QG . . 3.970 3.189 2.638 3.849 . 0 0 "[ . 1 . 2]" 1
446 1 42 TYR HA 1 68 TYR H . . 4.710 4.462 3.726 4.787 0.077 18 0 "[ . 1 . 2]" 1
447 1 42 TYR HB3 1 43 LEU H . . 4.360 3.209 2.426 4.069 . 0 0 "[ . 1 . 2]" 1
448 1 42 TYR HB3 1 62 LEU QD . . 5.080 5.194 4.606 5.572 0.492 15 0 "[ . 1 . 2]" 1
449 1 42 TYR HB3 1 64 PHE QD . . 4.040 2.744 2.197 3.922 . 0 0 "[ . 1 . 2]" 1
450 1 42 TYR HB3 1 98 ARG H . . 4.220 4.964 4.314 5.554 1.334 15 16 "[** *** *-**** +****2]" 1
451 1 42 TYR HB3 1 98 ARG HB3 . . 4.260 4.733 4.116 4.904 0.644 9 14 "[****. **+1 ** -*** *]" 1
452 1 42 TYR QD 1 43 LEU H . . 5.350 4.362 3.724 4.808 . 0 0 "[ . 1 . 2]" 1
453 1 42 TYR QD 1 62 LEU QD . . 5.500 4.776 3.942 5.482 . 0 0 "[ . 1 . 2]" 1
454 1 42 TYR QD 1 66 ARG HA . . 4.140 2.697 2.098 3.558 . 0 0 "[ . 1 . 2]" 1
455 1 42 TYR QD 1 66 ARG HD3 . . 5.500 4.823 2.348 6.311 0.811 18 1 "[ . 1 . + 2]" 1
456 1 42 TYR QD 1 98 ARG H . . 4.750 4.623 4.138 4.833 0.083 20 0 "[ . 1 . 2]" 1
457 1 42 TYR QE 1 66 ARG HA . . 5.430 4.189 3.387 5.119 . 0 0 "[ . 1 . 2]" 1
458 1 42 TYR QE 1 66 ARG HD3 . . 4.890 4.232 2.089 6.327 1.437 18 2 "[ . 1 -. + 2]" 1
459 1 42 TYR QE 1 100 ALA H . . 5.500 4.840 2.650 5.597 0.097 12 0 "[ . 1 . 2]" 1
460 1 42 TYR QE 1 100 ALA MB . . 4.260 3.633 2.276 4.369 0.109 17 0 "[ . 1 . 2]" 1
461 1 43 LEU H 1 43 LEU HB3 . . 3.450 2.550 2.266 3.192 . 0 0 "[ . 1 . 2]" 1
462 1 43 LEU H 1 43 LEU QD . . 4.540 3.909 3.800 4.050 . 0 0 "[ . 1 . 2]" 1
463 1 43 LEU H 1 64 PHE HA . . 5.250 4.404 3.796 5.309 0.059 17 0 "[ . 1 . 2]" 1
464 1 43 LEU H 1 64 PHE QD . . 4.950 4.458 3.564 5.020 0.070 4 0 "[ . 1 . 2]" 1
465 1 43 LEU H 1 65 MET H . . 3.610 3.013 2.395 3.673 0.063 15 0 "[ . 1 . 2]" 1
466 1 43 LEU H 1 65 MET HB3 . . 5.260 4.164 3.303 5.331 0.071 5 0 "[ . 1 . 2]" 1
467 1 43 LEU H 1 66 ARG HA . . 3.930 3.862 3.235 4.017 0.087 4 0 "[ . 1 . 2]" 1
468 1 43 LEU H 1 67 VAL H . . 4.700 3.322 2.614 3.815 . 0 0 "[ . 1 . 2]" 1
469 1 43 LEU H 1 67 VAL QG . . 4.140 2.949 2.351 3.589 . 0 0 "[ . 1 . 2]" 1
470 1 43 LEU HA 1 43 LEU QD . . 3.260 2.290 2.126 2.467 . 0 0 "[ . 1 . 2]" 1
471 1 43 LEU HA 1 44 ALA H . . 3.190 2.276 2.197 2.471 . 0 0 "[ . 1 . 2]" 1
472 1 43 LEU HA 1 44 ALA MB . . 4.810 4.094 3.994 4.324 . 0 0 "[ . 1 . 2]" 1
473 1 43 LEU HA 1 97 PHE HA . . 3.630 3.026 2.632 3.426 . 0 0 "[ . 1 . 2]" 1
474 1 43 LEU HA 1 97 PHE QD . . 4.170 3.599 2.303 4.200 0.030 5 0 "[ . 1 . 2]" 1
475 1 43 LEU HA 1 98 ARG H . . 4.530 3.885 3.478 4.286 . 0 0 "[ . 1 . 2]" 1
476 1 43 LEU HB3 1 43 LEU QD . . 3.220 2.238 2.096 2.328 . 0 0 "[ . 1 . 2]" 1
477 1 43 LEU HB3 1 67 VAL QG . . 3.870 2.302 1.980 3.062 . 0 0 "[ . 1 . 2]" 1
478 1 43 LEU HB3 1 97 PHE QE . . 4.630 4.680 3.993 4.986 0.356 6 0 "[ . 1 . 2]" 1
479 1 43 LEU QD 1 44 ALA H . . 3.450 2.375 1.831 3.097 . 0 0 "[ . 1 . 2]" 1
480 1 43 LEU QD 1 44 ALA MB . . 4.240 3.501 2.968 4.032 . 0 0 "[ . 1 . 2]" 1
481 1 43 LEU QD 1 65 MET ME . . 4.580 3.251 2.118 4.420 . 0 0 "[ . 1 . 2]" 1
482 1 43 LEU QD 1 67 VAL HB . . 5.030 4.057 3.490 4.735 . 0 0 "[ . 1 . 2]" 1
483 1 43 LEU QD 1 67 VAL QG . . 3.460 2.110 1.893 2.562 . 0 0 "[ . 1 . 2]" 1
484 1 43 LEU QD 1 82 LEU HA . . 3.390 2.944 2.304 3.354 . 0 0 "[ . 1 . 2]" 1
485 1 43 LEU QD 1 82 LEU QD . . 3.200 2.602 2.025 3.026 . 0 0 "[ . 1 . 2]" 1
486 1 43 LEU QD 1 85 ALA HA . . 4.050 2.983 2.253 3.680 . 0 0 "[ . 1 . 2]" 1
487 1 43 LEU QD 1 85 ALA MB . . 3.340 2.002 1.834 2.343 . 0 0 "[ . 1 . 2]" 1
488 1 43 LEU QD 1 97 PHE HA . . 4.530 3.682 3.025 4.178 . 0 0 "[ . 1 . 2]" 1
489 1 43 LEU QD 1 97 PHE QE . . 3.470 2.534 2.101 3.270 . 0 0 "[ . 1 . 2]" 1
490 1 43 LEU QD 1 98 ARG H . . 5.380 5.005 4.586 5.348 . 0 0 "[ . 1 . 2]" 1
491 1 43 LEU HG 1 44 ALA H . . 5.200 3.451 2.829 4.461 . 0 0 "[ . 1 . 2]" 1
492 1 44 ALA H 1 64 PHE QE . . 4.820 4.701 3.628 4.901 0.081 6 0 "[ . 1 . 2]" 1
493 1 44 ALA H 1 96 ILE H . . 5.380 4.660 3.914 5.478 0.098 12 0 "[ . 1 . 2]" 1
494 1 44 ALA H 1 96 ILE HB . . 4.340 4.117 3.663 4.405 0.065 13 0 "[ . 1 . 2]" 1
495 1 44 ALA H 1 96 ILE MG . . 5.060 4.462 3.478 4.941 . 0 0 "[ . 1 . 2]" 1
496 1 44 ALA H 1 97 PHE HA . . 4.390 4.162 3.345 4.468 0.078 8 0 "[ . 1 . 2]" 1
497 1 44 ALA HA 1 45 ILE H . . 3.050 2.234 2.106 2.397 . 0 0 "[ . 1 . 2]" 1
498 1 44 ALA HA 1 64 PHE HA . . 3.400 2.526 1.960 3.378 . 0 0 "[ . 1 . 2]" 1
499 1 44 ALA HA 1 64 PHE QE . . 5.390 3.909 3.040 4.726 . 0 0 "[ . 1 . 2]" 1
500 1 44 ALA HA 1 65 MET H . . 4.400 3.797 3.318 4.476 0.076 17 0 "[ . 1 . 2]" 1
501 1 44 ALA MB 1 45 ILE H . . 4.140 2.974 2.597 3.720 . 0 0 "[ . 1 . 2]" 1
502 1 44 ALA MB 1 64 PHE HA . . 4.700 4.047 3.513 4.799 0.099 19 0 "[ . 1 . 2]" 1
503 1 44 ALA MB 1 64 PHE QD . . 4.150 2.687 2.123 3.437 . 0 0 "[ . 1 . 2]" 1
504 1 44 ALA MB 1 64 PHE QE . . 4.570 2.713 2.389 3.015 . 0 0 "[ . 1 . 2]" 1
505 1 44 ALA MB 1 64 PHE HZ . . 5.080 4.509 3.347 5.180 0.100 17 0 "[ . 1 . 2]" 1
506 1 44 ALA MB 1 86 HIS HB3 . . 4.530 3.011 2.053 4.140 . 0 0 "[ . 1 . 2]" 1
507 1 44 ALA MB 1 96 ILE H . . 5.310 3.948 2.895 5.051 . 0 0 "[ . 1 . 2]" 1
508 1 44 ALA MB 1 96 ILE HB . . 4.250 3.102 2.352 3.657 . 0 0 "[ . 1 . 2]" 1
509 1 45 ILE H 1 45 ILE MD . . 4.910 3.517 1.886 4.487 . 0 0 "[ . 1 . 2]" 1
510 1 45 ILE H 1 45 ILE MG . . 4.210 3.058 2.189 3.282 . 0 0 "[ . 1 . 2]" 1
511 1 45 ILE H 1 64 PHE HA . . 4.290 3.293 2.742 3.860 . 0 0 "[ . 1 . 2]" 1
512 1 45 ILE H 1 65 MET H . . 5.500 4.273 3.106 5.015 . 0 0 "[ . 1 . 2]" 1
513 1 45 ILE HA 1 45 ILE MG . . 3.340 2.423 2.281 2.581 . 0 0 "[ . 1 . 2]" 1
514 1 45 ILE HA 1 46 GLN H . . 3.340 2.610 2.365 2.773 . 0 0 "[ . 1 . 2]" 1
515 1 45 ILE HA 1 85 ALA H . . 5.500 4.804 4.373 5.323 . 0 0 "[ . 1 . 2]" 1
516 1 45 ILE HA 1 85 ALA MB . . 4.650 4.072 3.601 4.731 0.081 4 0 "[ . 1 . 2]" 1
517 1 45 ILE HA 1 86 HIS H . . 3.500 2.571 2.106 2.975 . 0 0 "[ . 1 . 2]" 1
518 1 45 ILE HA 1 86 HIS HB3 . . 5.350 4.148 3.032 5.417 0.067 1 0 "[ . 1 . 2]" 1
519 1 45 ILE HB 1 45 ILE MD . . 3.600 2.570 2.124 3.307 . 0 0 "[ . 1 . 2]" 1
520 1 45 ILE HB 1 46 GLN H . . 3.350 2.210 1.956 2.468 . 0 0 "[ . 1 . 2]" 1
521 1 45 ILE HB 1 84 ASN HB3 . . 4.810 2.906 2.115 4.144 . 0 0 "[ . 1 . 2]" 1
522 1 45 ILE HB 1 84 ASN HD21 . . 5.500 5.388 4.524 5.590 0.090 7 0 "[ . 1 . 2]" 1
523 1 45 ILE HB 1 85 ALA HA . . 5.080 3.833 3.262 4.192 . 0 0 "[ . 1 . 2]" 1
524 1 45 ILE HB 1 86 HIS H . . 5.250 4.815 4.433 5.276 0.026 1 0 "[ . 1 . 2]" 1
525 1 45 ILE MD 1 65 MET HB3 . . 3.680 3.138 2.148 4.085 0.405 6 0 "[ . 1 . 2]" 1
526 1 45 ILE MD 1 84 ASN HB3 . . 5.020 4.121 2.956 5.121 0.101 8 0 "[ . 1 . 2]" 1
527 1 45 ILE MD 1 85 ALA HA . . 5.210 5.227 4.964 5.318 0.108 4 0 "[ . 1 . 2]" 1
528 1 45 ILE MG 1 46 GLN H . . 4.020 3.729 3.403 3.957 . 0 0 "[ . 1 . 2]" 1
529 1 45 ILE MG 1 65 MET H . . 4.290 3.115 2.506 3.637 . 0 0 "[ . 1 . 2]" 1
530 1 45 ILE MG 1 65 MET HA . . 5.210 4.497 4.018 5.254 0.044 9 0 "[ . 1 . 2]" 1
531 1 45 ILE MG 1 65 MET HB3 . . 3.420 2.644 2.167 3.516 0.096 9 0 "[ . 1 . 2]" 1
532 1 45 ILE MG 1 65 MET ME . . 3.470 2.464 2.000 3.594 0.124 19 0 "[ . 1 . 2]" 1
533 1 45 ILE MG 1 65 MET HG3 . . 4.340 4.075 2.559 4.730 0.390 4 0 "[ . 1 . 2]" 1
534 1 45 ILE MG 1 84 ASN HB3 . . 4.190 3.335 2.747 4.245 0.055 3 0 "[ . 1 . 2]" 1
535 1 45 ILE MG 1 85 ALA HA . . 3.770 2.307 2.047 2.587 . 0 0 "[ . 1 . 2]" 1
536 1 45 ILE MG 1 86 HIS H . . 4.740 3.665 3.134 4.214 . 0 0 "[ . 1 . 2]" 1
537 1 46 GLN H 1 46 GLN HB3 . . 3.940 3.371 2.367 3.658 . 0 0 "[ . 1 . 2]" 1
538 1 46 GLN H 1 46 GLN HG3 . . 5.350 3.225 2.000 4.670 . 0 0 "[ . 1 . 2]" 1
539 1 46 GLN H 1 84 ASN HB3 . . 4.920 3.691 2.496 4.396 . 0 0 "[ . 1 . 2]" 1
540 1 46 GLN HA 1 47 SER H . . 2.830 2.322 2.112 2.911 0.081 4 0 "[ . 1 . 2]" 1
541 1 46 GLN HB3 1 47 SER H . . 4.160 4.005 2.856 4.580 0.420 16 0 "[ . 1 . 2]" 1
542 1 46 GLN HE21 1 47 SER H . . 5.500 5.006 2.992 5.581 0.081 18 0 "[ . 1 . 2]" 1
543 1 48 SER HA 1 48 SER HB3 . . 2.970 2.499 2.228 3.047 0.077 13 0 "[ . 1 . 2]" 1
544 1 48 SER HA 1 49 GLN H . . 3.170 2.627 2.108 3.261 0.091 19 0 "[ . 1 . 2]" 1
545 1 48 SER HB3 1 49 GLN H . . 4.090 3.566 2.082 4.609 0.519 15 1 "[ . 1 + 2]" 1
546 1 49 GLN H 1 49 GLN HB3 . . 3.700 3.445 2.836 4.087 0.387 12 0 "[ . 1 . 2]" 1
547 1 49 GLN HA 1 50 ALA H . . 3.130 2.407 2.096 3.190 0.060 6 0 "[ . 1 . 2]" 1
548 1 49 GLN HB3 1 50 ALA H . . 5.410 3.438 2.181 4.617 . 0 0 "[ . 1 . 2]" 1
549 1 50 ALA H 1 50 ALA MB . . 3.540 2.553 2.155 3.018 . 0 0 "[ . 1 . 2]" 1
550 1 50 ALA HA 1 51 SER H . . 3.200 2.464 2.167 2.885 . 0 0 "[ . 1 . 2]" 1
551 1 50 ALA MB 1 51 SER H . . 4.460 2.754 2.008 3.773 . 0 0 "[ . 1 . 2]" 1
552 1 51 SER H 1 52 GLY H . . 3.860 3.736 2.061 3.949 0.089 8 0 "[ . 1 . 2]" 1
553 1 52 GLY H 1 53 GLU H . . 3.780 3.338 1.810 3.858 0.078 17 0 "[ . 1 . 2]" 1
554 1 52 GLY QA 1 53 GLU H . . 3.360 2.301 2.091 3.026 . 0 0 "[ . 1 . 2]" 1
555 1 52 GLY QA 1 53 GLU HB3 . . 5.020 4.822 3.997 5.394 0.374 2 0 "[ . 1 . 2]" 1
556 1 53 GLU H 1 53 GLU HB3 . . 3.390 3.343 2.769 3.775 0.385 6 0 "[ . 1 . 2]" 1
557 1 53 GLU HA 1 54 PRO HG3 . . 4.590 4.597 4.387 4.682 0.092 18 0 "[ . 1 . 2]" 1
558 1 53 GLU HB3 1 58 THR MG . . 5.090 4.605 2.588 5.308 0.218 17 0 "[ . 1 . 2]" 1
559 1 54 PRO HA 1 55 LYS H . . 3.020 2.454 2.093 2.809 . 0 0 "[ . 1 . 2]" 1
560 1 54 PRO HG3 1 108 GLY QA . . 4.210 3.734 2.664 4.367 0.157 5 0 "[ . 1 . 2]" 1
561 1 55 LYS H 1 55 LYS HB3 . . 4.100 3.603 2.571 4.106 0.006 6 0 "[ . 1 . 2]" 1
562 1 55 LYS H 1 56 SER H . . 2.930 2.809 2.351 3.025 0.095 14 0 "[ . 1 . 2]" 1
563 1 55 LYS HA 1 56 SER H . . 3.250 2.971 2.270 3.328 0.078 2 0 "[ . 1 . 2]" 1
564 1 57 SER H 1 57 SER HB3 . . 3.870 3.675 2.781 4.063 0.193 4 0 "[ . 1 . 2]" 1
565 1 57 SER H 1 58 THR H . . 3.590 2.656 1.704 3.679 0.089 12 0 "[ . 1 . 2]" 1
566 1 57 SER H 1 58 THR MG . . 5.500 4.042 3.027 5.360 . 0 0 "[ . 1 . 2]" 1
567 1 57 SER HB3 1 58 THR H . . 5.230 3.861 2.184 4.732 . 0 0 "[ . 1 . 2]" 1
568 1 58 THR H 1 58 THR MG . . 4.480 2.736 2.011 3.993 . 0 0 "[ . 1 . 2]" 1
569 1 58 THR HA 1 58 THR MG . . 3.440 2.894 2.150 3.311 . 0 0 "[ . 1 . 2]" 1
570 1 58 THR MG 1 59 PRO HD3 . . 4.410 4.497 2.198 4.910 0.500 19 0 "[ . 1 . 2]" 1
571 1 59 PRO HA 1 60 ALA H . . 2.870 2.363 2.072 2.684 . 0 0 "[ . 1 . 2]" 1
572 1 59 PRO HB3 1 60 ALA H . . 4.250 4.116 3.349 4.566 0.316 12 0 "[ . 1 . 2]" 1
573 1 60 ALA H 1 60 ALA MB . . 3.470 2.680 2.129 3.125 . 0 0 "[ . 1 . 2]" 1
574 1 60 ALA H 1 61 GLN H . . 3.500 3.242 1.811 3.582 0.082 18 0 "[ . 1 . 2]" 1
575 1 60 ALA HA 1 61 GLN H . . 2.910 2.448 2.065 2.992 0.082 6 0 "[ . 1 . 2]" 1
576 1 60 ALA MB 1 61 GLN H . . 3.900 3.580 3.149 3.761 . 0 0 "[ . 1 . 2]" 1
577 1 61 GLN HA 1 62 LEU H . . 2.630 2.360 2.078 2.706 0.076 11 0 "[ . 1 . 2]" 1
578 1 61 GLN HA 1 62 LEU HG . . 4.170 3.773 2.770 4.253 0.083 19 0 "[ . 1 . 2]" 1
579 1 61 GLN HB3 1 62 LEU H . . 4.420 3.719 2.081 4.475 0.055 18 0 "[ . 1 . 2]" 1
580 1 62 LEU H 1 62 LEU HB3 . . 3.940 3.668 2.798 3.997 0.057 14 0 "[ . 1 . 2]" 1
581 1 62 LEU H 1 62 LEU QD . . 4.530 2.620 1.786 3.511 . 0 0 "[ . 1 . 2]" 1
582 1 62 LEU H 1 62 LEU HG . . 3.160 2.506 1.841 3.239 0.079 2 0 "[ . 1 . 2]" 1
583 1 62 LEU H 1 63 ALA H . . 5.170 4.463 4.178 4.637 . 0 0 "[ . 1 . 2]" 1
584 1 62 LEU HA 1 62 LEU QD . . 3.340 2.852 2.277 3.301 . 0 0 "[ . 1 . 2]" 1
585 1 62 LEU HA 1 63 ALA H . . 2.840 2.526 2.165 2.892 0.052 16 0 "[ . 1 . 2]" 1
586 1 62 LEU HA 1 63 ALA MB . . 4.340 3.983 3.722 4.270 . 0 0 "[ . 1 . 2]" 1
587 1 62 LEU HB3 1 62 LEU QD . . 2.880 2.214 2.102 2.367 . 0 0 "[ . 1 . 2]" 1
588 1 62 LEU HB3 1 63 ALA H . . 3.850 2.679 1.846 3.506 . 0 0 "[ . 1 . 2]" 1
589 1 62 LEU HB3 1 64 PHE HZ . . 3.850 3.185 2.584 3.926 0.076 5 0 "[ . 1 . 2]" 1
590 1 62 LEU QD 1 63 ALA H . . 4.310 3.757 3.458 4.108 . 0 0 "[ . 1 . 2]" 1
591 1 62 LEU QD 1 64 PHE HZ . . 3.830 2.573 1.978 3.835 0.005 4 0 "[ . 1 . 2]" 1
592 1 62 LEU HG 1 64 PHE QE . . 5.280 4.541 4.033 5.069 . 0 0 "[ . 1 . 2]" 1
593 1 63 ALA H 1 63 ALA MB . . 3.040 2.634 2.282 3.096 0.056 16 0 "[ . 1 . 2]" 1
594 1 63 ALA H 1 64 PHE QE . . 5.340 3.851 3.057 4.361 . 0 0 "[ . 1 . 2]" 1
595 1 63 ALA HA 1 64 PHE H . . 2.870 2.234 2.079 2.844 . 0 0 "[ . 1 . 2]" 1
596 1 63 ALA MB 1 64 PHE H . . 4.400 3.281 1.806 3.723 . 0 0 "[ . 1 . 2]" 1
597 1 63 ALA MB 1 64 PHE HA . . 5.130 4.191 3.566 4.394 . 0 0 "[ . 1 . 2]" 1
598 1 64 PHE H 1 64 PHE QD . . 4.530 3.676 2.833 4.006 . 0 0 "[ . 1 . 2]" 1
599 1 64 PHE H 1 65 MET H . . 5.230 4.361 4.214 4.531 . 0 0 "[ . 1 . 2]" 1
600 1 64 PHE HA 1 64 PHE QD . . 4.360 2.435 2.123 3.277 . 0 0 "[ . 1 . 2]" 1
601 1 64 PHE HA 1 64 PHE QE . . 5.070 4.663 4.435 5.138 0.068 2 0 "[ . 1 . 2]" 1
602 1 64 PHE HA 1 65 MET H . . 3.020 2.369 2.162 2.752 . 0 0 "[ . 1 . 2]" 1
603 1 64 PHE QD 1 65 MET H . . 4.650 4.144 3.740 4.507 . 0 0 "[ . 1 . 2]" 1
604 1 64 PHE QD 1 98 ARG HB3 . . 5.120 4.630 3.894 5.226 0.106 17 0 "[ . 1 . 2]" 1
605 1 64 PHE QD 1 98 ARG HG3 . . 4.620 4.249 2.821 5.396 0.776 10 5 "[ * .* + - *. 2]" 1
606 1 64 PHE HZ 1 98 ARG HG3 . . 4.560 3.949 2.401 5.453 0.893 14 1 "[ . 1 +. 2]" 1
607 1 65 MET H 1 65 MET HB3 . . 3.350 2.541 2.255 2.946 . 0 0 "[ . 1 . 2]" 1
608 1 65 MET H 1 65 MET HG3 . . 4.650 4.150 2.321 4.583 . 0 0 "[ . 1 . 2]" 1
609 1 65 MET H 1 67 VAL H . . 5.500 4.848 4.325 5.560 0.060 13 0 "[ . 1 . 2]" 1
610 1 65 MET H 1 67 VAL QG . . 5.500 4.177 3.761 5.108 . 0 0 "[ . 1 . 2]" 1
611 1 65 MET HB3 1 67 VAL QG . . 5.120 3.231 2.232 5.060 . 0 0 "[ . 1 . 2]" 1
612 1 65 MET ME 1 67 VAL QG . . 3.340 2.566 1.917 3.362 0.022 20 0 "[ . 1 . 2]" 1
613 1 65 MET ME 1 81 SER HA . . 4.470 2.942 1.948 4.511 0.041 8 0 "[ . 1 . 2]" 1
614 1 65 MET ME 1 84 ASN HB3 . . 5.120 4.201 2.863 5.194 0.074 5 0 "[ . 1 . 2]" 1
615 1 65 MET ME 1 84 ASN HD21 . . 5.090 3.950 2.119 5.176 0.086 8 0 "[ . 1 . 2]" 1
616 1 65 MET HG3 1 67 VAL QG . . 4.430 3.602 2.153 4.575 0.145 19 0 "[ . 1 . 2]" 1
617 1 66 ARG HA 1 67 VAL H . . 3.080 2.365 2.051 2.718 . 0 0 "[ . 1 . 2]" 1
618 1 66 ARG HA 1 67 VAL QG . . 4.180 3.563 3.318 4.112 . 0 0 "[ . 1 . 2]" 1
619 1 67 VAL H 1 67 VAL QG . . 3.140 1.922 1.769 2.567 . 0 0 "[ . 1 . 2]" 1
620 1 67 VAL H 1 68 TYR H . . 2.980 2.746 2.441 3.044 0.064 18 0 "[ . 1 . 2]" 1
621 1 67 VAL HA 1 67 VAL HB . . 2.980 2.553 2.475 2.775 . 0 0 "[ . 1 . 2]" 1
622 1 67 VAL HA 1 67 VAL QG . . 3.030 2.199 2.051 2.304 . 0 0 "[ . 1 . 2]" 1
623 1 67 VAL HB 1 68 TYR H . . 4.930 3.986 3.493 4.304 . 0 0 "[ . 1 . 2]" 1
624 1 67 VAL HB 1 77 VAL QG . . 4.000 2.856 1.957 4.013 0.013 9 0 "[ . 1 . 2]" 1
625 1 67 VAL QG 1 68 TYR H . . 3.630 2.623 2.078 3.116 . 0 0 "[ . 1 . 2]" 1
626 1 67 VAL QG 1 81 SER HA . . 4.610 4.409 3.412 4.644 0.034 14 0 "[ . 1 . 2]" 1
627 1 67 VAL QG 1 81 SER HB3 . . 4.650 2.806 1.982 3.979 . 0 0 "[ . 1 . 2]" 1
628 1 68 TYR H 1 68 TYR HB3 . . 3.980 2.471 2.152 3.000 . 0 0 "[ . 1 . 2]" 1
629 1 68 TYR HA 1 68 TYR QE . . 5.420 4.673 4.312 4.974 . 0 0 "[ . 1 . 2]" 1
630 1 68 TYR HA 1 69 CYS H . . 3.130 2.215 2.017 2.884 . 0 0 "[ . 1 . 2]" 1
631 1 68 TYR HB3 1 68 TYR QE . . 4.660 4.454 4.373 4.514 . 0 0 "[ . 1 . 2]" 1
632 1 68 TYR QE 1 70 GLY H . . 4.410 3.692 2.680 4.435 0.025 8 0 "[ . 1 . 2]" 1
633 1 69 CYS HA 1 70 GLY H . . 2.820 2.634 2.202 2.903 0.083 9 0 "[ . 1 . 2]" 1
634 1 69 CYS HA 1 70 GLY HA2 . . 4.860 4.488 4.249 4.738 . 0 0 "[ . 1 . 2]" 1
635 1 69 CYS HB3 1 70 GLY H . . 5.020 4.309 3.341 4.685 . 0 0 "[ . 1 . 2]" 1
636 1 70 GLY H 1 71 PRO HD3 . . 5.370 4.827 3.462 5.208 . 0 0 "[ . 1 . 2]" 1
637 1 70 GLY HA3 1 71 PRO HD3 . . 3.700 3.463 3.108 4.289 0.589 5 1 "[ + 1 . 2]" 1
638 1 70 GLY HA3 1 71 PRO HG3 . . 5.210 5.265 4.954 6.189 0.979 5 1 "[ + 1 . 2]" 1
639 1 70 GLY HA3 1 72 SER H . . 4.700 3.717 2.773 4.631 . 0 0 "[ . 1 . 2]" 1
640 1 71 PRO HD3 1 72 SER H . . 5.280 3.905 3.569 4.405 . 0 0 "[ . 1 . 2]" 1
641 1 71 PRO HG3 1 72 SER H . . 4.130 3.934 3.460 4.213 0.083 12 0 "[ . 1 . 2]" 1
642 1 74 SER HA 1 74 SER HB3 . . 2.930 2.355 2.112 3.000 0.070 19 0 "[ . 1 . 2]" 1
643 1 75 CYS HB3 1 76 LEU H . . 5.190 3.302 2.157 4.510 . 0 0 "[ . 1 . 2]" 1
644 1 75 CYS HB3 1 76 LEU HA . . 4.800 4.945 3.915 5.975 1.175 14 5 "[ ** * +. - 2]" 1
645 1 76 LEU HA 1 76 LEU QD . . 4.080 2.937 1.930 3.470 . 0 0 "[ . 1 . 2]" 1
646 1 76 LEU HA 1 77 VAL H . . 3.110 2.433 2.193 2.751 . 0 0 "[ . 1 . 2]" 1
647 1 76 LEU QD 1 77 VAL H . . 4.360 2.862 2.061 3.593 . 0 0 "[ . 1 . 2]" 1
648 1 77 VAL H 1 77 VAL HB . . 3.330 2.716 2.422 3.232 . 0 0 "[ . 1 . 2]" 1
649 1 77 VAL H 1 77 VAL QG . . 3.450 2.724 2.157 3.102 . 0 0 "[ . 1 . 2]" 1
650 1 77 VAL H 1 78 GLN H . . 4.340 4.231 3.908 4.423 0.083 17 0 "[ . 1 . 2]" 1
651 1 77 VAL HA 1 77 VAL QG . . 3.180 2.172 2.094 2.359 . 0 0 "[ . 1 . 2]" 1
652 1 77 VAL HA 1 78 GLN H . . 2.730 2.192 2.008 2.347 . 0 0 "[ . 1 . 2]" 1
653 1 77 VAL HA 1 78 GLN HG3 . . 4.800 3.907 3.592 4.223 . 0 0 "[ . 1 . 2]" 1
654 1 77 VAL HB 1 78 GLN H . . 4.970 4.299 3.928 4.601 . 0 0 "[ . 1 . 2]" 1
655 1 77 VAL QG 1 78 GLN H . . 3.650 2.789 2.349 3.217 . 0 0 "[ . 1 . 2]" 1
656 1 77 VAL QG 1 78 GLN HG3 . . 5.020 4.376 3.328 4.823 . 0 0 "[ . 1 . 2]" 1
657 1 77 VAL QG 1 81 SER H . . 5.100 3.922 3.503 4.677 . 0 0 "[ . 1 . 2]" 1
658 1 77 VAL QG 1 81 SER HB3 . . 3.460 2.991 2.072 3.739 0.279 13 0 "[ . 1 . 2]" 1
659 1 77 VAL QG 1 82 LEU H . . 4.790 3.595 2.993 4.105 . 0 0 "[ . 1 . 2]" 1
660 1 77 VAL QG 1 82 LEU HG . . 3.700 2.814 2.042 3.790 0.090 14 0 "[ . 1 . 2]" 1
661 1 77 VAL QG 1 97 PHE QE . . 3.610 2.940 2.228 3.401 . 0 0 "[ . 1 . 2]" 1
662 1 78 GLN H 1 78 GLN HB3 . . 3.780 3.528 3.170 3.641 . 0 0 "[ . 1 . 2]" 1
663 1 78 GLN H 1 78 GLN HG3 . . 3.730 2.246 1.924 2.484 . 0 0 "[ . 1 . 2]" 1
664 1 78 GLN H 1 79 SER H . . 5.470 4.611 4.467 4.731 . 0 0 "[ . 1 . 2]" 1
665 1 78 GLN H 1 81 SER H . . 4.890 4.433 3.807 4.953 0.063 19 0 "[ . 1 . 2]" 1
666 1 78 GLN H 1 81 SER HB3 . . 4.590 5.053 4.032 6.007 1.417 8 10 "[-** .* +*1 ** * *2]" 1
667 1 78 GLN HA 1 78 GLN HG3 . . 3.230 3.072 2.629 3.711 0.481 4 0 "[ . 1 . 2]" 1
668 1 78 GLN HA 1 79 SER H . . 2.940 2.280 2.121 2.449 . 0 0 "[ . 1 . 2]" 1
669 1 78 GLN HB3 1 78 GLN HE21 . . 4.660 3.987 2.544 4.652 . 0 0 "[ . 1 . 2]" 1
670 1 78 GLN HB3 1 79 SER H . . 3.750 2.882 2.421 3.392 . 0 0 "[ . 1 . 2]" 1
671 1 78 GLN HB3 1 80 SER H . . 3.800 2.961 2.242 3.883 0.083 18 0 "[ . 1 . 2]" 1
672 1 78 GLN HB3 1 81 SER H . . 4.860 4.048 3.322 4.923 0.063 17 0 "[ . 1 . 2]" 1
673 1 78 GLN HG3 1 79 SER H . . 4.870 4.835 4.520 4.948 0.078 20 0 "[ . 1 . 2]" 1
674 1 79 SER H 1 82 LEU H . . 4.940 4.931 4.790 5.022 0.082 5 0 "[ . 1 . 2]" 1
675 1 79 SER H 1 82 LEU QD . . 5.080 3.984 3.481 4.412 . 0 0 "[ . 1 . 2]" 1
676 1 79 SER HA 1 82 LEU H . . 3.970 3.126 2.707 3.550 . 0 0 "[ . 1 . 2]" 1
677 1 79 SER HA 1 82 LEU HB3 . . 3.520 3.986 3.494 4.185 0.665 6 11 "[* * *+ **** ** -]" 1
678 1 79 SER HA 1 82 LEU QD . . 3.430 2.338 2.050 2.817 . 0 0 "[ . 1 . 2]" 1
679 1 79 SER HA 1 82 LEU HG . . 4.430 3.343 2.140 4.189 . 0 0 "[ . 1 . 2]" 1
680 1 80 SER H 1 81 SER H . . 3.710 2.899 2.684 3.116 . 0 0 "[ . 1 . 2]" 1
681 1 80 SER H 1 82 LEU H . . 5.500 4.217 3.989 4.640 . 0 0 "[ . 1 . 2]" 1
682 1 81 SER H 1 81 SER HB3 . . 3.250 3.419 2.529 3.721 0.471 2 0 "[ . 1 . 2]" 1
683 1 81 SER H 1 82 LEU HG . . 5.500 4.704 3.786 5.572 0.072 3 0 "[ . 1 . 2]" 1
684 1 81 SER H 1 83 SER H . . 4.890 4.046 3.532 4.660 . 0 0 "[ . 1 . 2]" 1
685 1 81 SER HA 1 83 SER H . . 5.140 4.332 3.944 4.658 . 0 0 "[ . 1 . 2]" 1
686 1 81 SER HA 1 84 ASN HD21 . . 4.920 3.900 2.288 4.993 0.073 1 0 "[ . 1 . 2]" 1
687 1 81 SER HA 1 84 ASN HD22 . . 5.170 4.688 2.731 5.254 0.084 15 0 "[ . 1 . 2]" 1
688 1 81 SER HB3 1 82 LEU HG . . 5.070 5.094 3.529 6.630 1.560 10 5 "[ * . + -. * *2]" 1
689 1 82 LEU H 1 82 LEU HB3 . . 3.420 3.572 3.481 3.709 0.289 2 0 "[ . 1 . 2]" 1
690 1 82 LEU H 1 82 LEU QD . . 4.060 2.876 1.782 3.463 . 0 0 "[ . 1 . 2]" 1
691 1 82 LEU H 1 82 LEU HG . . 3.480 2.856 2.132 3.571 0.091 3 0 "[ . 1 . 2]" 1
692 1 82 LEU H 1 83 SER H . . 3.030 2.618 2.049 2.916 . 0 0 "[ . 1 . 2]" 1
693 1 82 LEU HA 1 82 LEU QD . . 2.990 2.149 2.044 2.289 . 0 0 "[ . 1 . 2]" 1
694 1 82 LEU HA 1 82 LEU HG . . 3.780 3.155 2.638 3.771 . 0 0 "[ . 1 . 2]" 1
695 1 82 LEU HA 1 84 ASN H . . 5.350 3.959 3.376 4.681 . 0 0 "[ . 1 . 2]" 1
696 1 82 LEU HA 1 85 ALA H . . 4.430 3.493 2.840 4.462 0.032 15 0 "[ . 1 . 2]" 1
697 1 82 LEU HA 1 85 ALA MB . . 3.670 2.532 2.067 3.313 . 0 0 "[ . 1 . 2]" 1
698 1 82 LEU HA 1 95 ILE MD . . 4.260 3.414 2.303 4.343 0.083 15 0 "[ . 1 . 2]" 1
699 1 82 LEU HB3 1 82 LEU QD . . 3.140 2.181 2.081 2.447 . 0 0 "[ . 1 . 2]" 1
700 1 82 LEU HB3 1 83 SER H . . 3.960 3.679 3.256 4.115 0.155 2 0 "[ . 1 . 2]" 1
701 1 82 LEU QD 1 83 SER H . . 5.350 4.148 3.732 4.467 . 0 0 "[ . 1 . 2]" 1
702 1 82 LEU QD 1 115 TRP HE3 . . 5.490 3.391 2.411 4.377 . 0 0 "[ . 1 . 2]" 1
703 1 82 LEU QD 1 115 TRP HH2 . . 4.270 3.288 2.242 3.864 . 0 0 "[ . 1 . 2]" 1
704 1 82 LEU QD 1 115 TRP HZ3 . . 3.530 2.337 1.996 2.903 . 0 0 "[ . 1 . 2]" 1
705 1 82 LEU HG 1 83 SER H . . 4.900 4.723 4.157 4.983 0.083 14 0 "[ . 1 . 2]" 1
706 1 83 SER H 1 84 ASN H . . 3.870 2.893 2.568 3.267 . 0 0 "[ . 1 . 2]" 1
707 1 84 ASN H 1 84 ASN HB3 . . 3.680 3.652 3.520 3.754 0.074 15 0 "[ . 1 . 2]" 1
708 1 84 ASN H 1 84 ASN HD21 . . 5.130 3.495 1.966 5.061 . 0 0 "[ . 1 . 2]" 1
709 1 84 ASN H 1 85 ALA MB . . 5.500 3.947 3.320 4.559 . 0 0 "[ . 1 . 2]" 1
710 1 84 ASN HA 1 84 ASN HD22 . . 5.500 4.403 3.754 4.892 . 0 0 "[ . 1 . 2]" 1
711 1 84 ASN HA 1 85 ALA MB . . 5.500 4.878 4.723 5.016 . 0 0 "[ . 1 . 2]" 1
712 1 84 ASN HB3 1 85 ALA H . . 4.930 4.313 3.843 4.576 . 0 0 "[ . 1 . 2]" 1
713 1 85 ALA H 1 85 ALA MB . . 3.100 2.220 2.147 2.320 . 0 0 "[ . 1 . 2]" 1
714 1 85 ALA H 1 86 HIS H . . 4.470 4.529 4.460 4.553 0.083 12 0 "[ . 1 . 2]" 1
715 1 85 ALA HA 1 86 HIS H . . 2.960 2.200 2.063 2.377 . 0 0 "[ . 1 . 2]" 1
716 1 85 ALA MB 1 86 HIS H . . 3.780 2.774 2.308 3.218 . 0 0 "[ . 1 . 2]" 1
717 1 85 ALA MB 1 87 ILE MD . . 4.140 3.258 2.366 4.251 0.111 19 0 "[ . 1 . 2]" 1
718 1 85 ALA MB 1 95 ILE MG . . 3.290 2.432 1.969 3.365 0.075 20 0 "[ . 1 . 2]" 1
719 1 86 HIS H 1 86 HIS HB3 . . 3.710 2.854 2.201 3.686 . 0 0 "[ . 1 . 2]" 1
720 1 86 HIS HA 1 87 ILE H . . 2.920 2.239 2.062 2.491 . 0 0 "[ . 1 . 2]" 1
721 1 86 HIS HA 1 87 ILE HB . . 4.630 4.577 4.269 4.701 0.071 5 0 "[ . 1 . 2]" 1
722 1 86 HIS HA 1 87 ILE HG13 . . 5.350 5.226 4.319 5.872 0.522 3 1 "[ + . 1 . 2]" 1
723 1 86 HIS HB3 1 87 ILE H . . 4.650 3.814 2.871 4.508 . 0 0 "[ . 1 . 2]" 1
724 1 87 ILE H 1 87 ILE HB . . 3.300 2.525 2.161 2.702 . 0 0 "[ . 1 . 2]" 1
725 1 87 ILE H 1 87 ILE MD . . 4.480 3.231 2.368 3.797 . 0 0 "[ . 1 . 2]" 1
726 1 87 ILE H 1 87 ILE HG13 . . 3.780 3.772 3.503 4.003 0.223 6 0 "[ . 1 . 2]" 1
727 1 87 ILE H 1 87 ILE MG . . 4.790 3.789 3.594 3.870 . 0 0 "[ . 1 . 2]" 1
728 1 87 ILE H 1 88 ASP H . . 5.040 4.496 4.309 4.614 . 0 0 "[ . 1 . 2]" 1
729 1 87 ILE HA 1 87 ILE MD . . 3.510 2.354 2.073 2.792 . 0 0 "[ . 1 . 2]" 1
730 1 87 ILE HA 1 87 ILE HG13 . . 4.060 3.818 2.402 4.114 0.054 15 0 "[ . 1 . 2]" 1
731 1 87 ILE HA 1 87 ILE MG . . 3.560 2.396 2.265 2.555 . 0 0 "[ . 1 . 2]" 1
732 1 87 ILE HA 1 88 ASP H . . 2.900 2.148 1.852 2.295 . 0 0 "[ . 1 . 2]" 1
733 1 87 ILE HA 1 88 ASP HA . . 4.270 4.340 4.252 4.361 0.091 16 0 "[ . 1 . 2]" 1
734 1 87 ILE HA 1 88 ASP HB3 . . 4.890 4.594 4.326 5.068 0.178 15 0 "[ . 1 . 2]" 1
735 1 87 ILE HA 1 94 ALA H . . 4.620 4.012 3.557 4.705 0.085 20 0 "[ . 1 . 2]" 1
736 1 87 ILE HB 1 88 ASP H . . 4.700 4.001 3.605 4.286 . 0 0 "[ . 1 . 2]" 1
737 1 87 ILE HB 1 89 TYR HB3 . . 5.190 6.382 5.185 6.816 1.626 11 18 "[**********+ -******2]" 1
738 1 87 ILE HB 1 89 TYR QE . . 4.230 3.146 2.292 4.254 0.024 19 0 "[ . 1 . 2]" 1
739 1 87 ILE HB 1 94 ALA H . . 5.250 5.139 4.704 5.325 0.075 7 0 "[ . 1 . 2]" 1
740 1 87 ILE MD 1 87 ILE MG . . 3.400 2.206 2.079 3.222 . 0 0 "[ . 1 . 2]" 1
741 1 87 ILE MD 1 88 ASP H . . 4.710 3.985 3.629 4.603 . 0 0 "[ . 1 . 2]" 1
742 1 87 ILE MD 1 89 TYR QD . . 5.500 5.365 5.034 5.609 0.109 5 0 "[ . 1 . 2]" 1
743 1 87 ILE MD 1 89 TYR QE . . 5.500 5.036 4.228 5.589 0.089 19 0 "[ . 1 . 2]" 1
744 1 87 ILE MD 1 94 ALA H . . 5.010 4.451 3.772 5.113 0.103 9 0 "[ . 1 . 2]" 1
745 1 87 ILE MD 1 118 GLU HG3 . . 4.700 3.473 2.155 4.463 . 0 0 "[ . 1 . 2]" 1
746 1 87 ILE MG 1 88 ASP H . . 3.850 2.535 2.117 2.907 . 0 0 "[ . 1 . 2]" 1
747 1 87 ILE MG 1 88 ASP HB3 . . 5.140 3.933 3.353 5.226 0.086 15 0 "[ . 1 . 2]" 1
748 1 87 ILE MG 1 89 TYR HA . . 4.740 4.221 3.340 4.758 0.018 20 0 "[ . 1 . 2]" 1
749 1 87 ILE MG 1 89 TYR QD . . 4.890 2.618 2.157 3.005 . 0 0 "[ . 1 . 2]" 1
750 1 87 ILE MG 1 89 TYR QE . . 4.760 2.690 2.140 3.436 . 0 0 "[ . 1 . 2]" 1
751 1 87 ILE MG 1 93 PRO HA . . 4.040 2.185 1.898 2.764 . 0 0 "[ . 1 . 2]" 1
752 1 87 ILE MG 1 93 PRO HB3 . . 4.010 2.948 2.328 3.543 . 0 0 "[ . 1 . 2]" 1
753 1 87 ILE MG 1 94 ALA H . . 3.880 2.462 2.001 2.793 . 0 0 "[ . 1 . 2]" 1
754 1 87 ILE MG 1 94 ALA HA . . 5.500 3.558 3.281 4.067 . 0 0 "[ . 1 . 2]" 1
755 1 87 ILE MG 1 118 GLU HG3 . . 5.500 4.500 3.696 5.588 0.088 9 0 "[ . 1 . 2]" 1
756 1 88 ASP H 1 88 ASP HB3 . . 3.450 2.504 2.236 3.260 . 0 0 "[ . 1 . 2]" 1
757 1 88 ASP H 1 93 PRO HA . . 4.660 3.946 3.329 4.711 0.051 15 0 "[ . 1 . 2]" 1
758 1 88 ASP H 1 94 ALA H . . 3.700 2.735 2.303 3.301 . 0 0 "[ . 1 . 2]" 1
759 1 88 ASP H 1 94 ALA MB . . 4.670 3.936 3.596 4.371 . 0 0 "[ . 1 . 2]" 1
760 1 88 ASP HA 1 89 TYR H . . 3.000 2.272 2.133 2.682 . 0 0 "[ . 1 . 2]" 1
761 1 88 ASP HB3 1 94 ALA H . . 4.250 2.873 2.122 4.828 0.578 15 1 "[ . 1 + 2]" 1
762 1 88 ASP HB3 1 94 ALA MB . . 3.800 3.187 2.655 4.635 0.835 15 1 "[ . 1 + 2]" 1
763 1 88 ASP HB3 1 96 ILE MD . . 3.920 3.094 2.455 3.652 . 0 0 "[ . 1 . 2]" 1
764 1 89 TYR H 1 89 TYR HB3 . . 3.490 3.455 3.216 3.657 0.167 8 0 "[ . 1 . 2]" 1
765 1 89 TYR H 1 89 TYR QD . . 3.920 3.353 2.370 3.999 0.079 11 0 "[ . 1 . 2]" 1
766 1 89 TYR H 1 90 THR H . . 3.680 2.659 2.020 3.772 0.092 20 0 "[ . 1 . 2]" 1
767 1 89 TYR HA 1 89 TYR QD . . 3.880 2.779 2.160 3.792 . 0 0 "[ . 1 . 2]" 1
768 1 89 TYR HB3 1 90 THR H . . 4.470 4.220 3.768 4.414 . 0 0 "[ . 1 . 2]" 1
769 1 89 TYR QE 1 93 PRO HB3 . . 4.710 3.321 2.206 3.822 . 0 0 "[ . 1 . 2]" 1
770 1 90 THR H 1 90 THR MG . . 3.700 3.388 2.464 3.806 0.106 16 0 "[ . 1 . 2]" 1
771 1 90 THR H 1 92 LYS H . . 4.880 4.028 3.250 4.945 0.065 6 0 "[ . 1 . 2]" 1
772 1 90 THR HA 1 90 THR MG . . 3.150 2.306 2.076 3.218 0.068 11 0 "[ . 1 . 2]" 1
773 1 90 THR HB 1 91 THR H . . 3.880 3.393 2.126 3.965 0.085 11 0 "[ . 1 . 2]" 1
774 1 91 THR H 1 91 THR MG . . 3.840 3.557 3.015 3.935 0.095 6 0 "[ . 1 . 2]" 1
775 1 91 THR HB 1 92 LYS H . . 4.980 2.865 2.249 3.455 . 0 0 "[ . 1 . 2]" 1
776 1 91 THR MG 1 92 LYS H . . 4.460 3.861 2.878 4.376 . 0 0 "[ . 1 . 2]" 1
777 1 92 LYS H 1 92 LYS HB3 . . 3.260 3.690 2.561 3.877 0.617 14 13 "[* * *- * 1* *+*****2]" 1
778 1 92 LYS H 1 92 LYS HG3 . . 4.140 3.785 2.899 4.190 0.050 5 0 "[ . 1 . 2]" 1
779 1 92 LYS H 1 93 PRO HD3 . . 4.890 4.791 4.488 4.962 0.072 20 0 "[ . 1 . 2]" 1
780 1 92 LYS HA 1 92 LYS HG3 . . 4.000 3.386 2.750 4.064 0.064 7 0 "[ . 1 . 2]" 1
781 1 92 LYS HA 1 93 PRO HD3 . . 3.030 2.411 2.078 2.586 . 0 0 "[ . 1 . 2]" 1
782 1 92 LYS HB3 1 94 ALA H . . 5.130 5.044 3.934 5.939 0.809 9 2 "[ . +1 . -]" 1
783 1 92 LYS HG3 1 93 PRO HD3 . . 5.010 5.438 5.010 5.574 0.564 14 10 "[ * *.* 1- *+* ***2]" 1
784 1 92 LYS HG3 1 116 LEU QD . . 5.500 3.652 2.133 5.336 . 0 0 "[ . 1 . 2]" 1
785 1 93 PRO HA 1 94 ALA H . . 2.760 2.201 2.053 2.406 . 0 0 "[ . 1 . 2]" 1
786 1 94 ALA H 1 94 ALA MB . . 3.030 2.554 2.392 2.720 . 0 0 "[ . 1 . 2]" 1
787 1 94 ALA H 1 116 LEU QD . . 4.370 4.325 3.740 4.437 0.067 15 0 "[ . 1 . 2]" 1
788 1 94 ALA HA 1 95 ILE H . . 3.020 2.385 2.183 2.727 . 0 0 "[ . 1 . 2]" 1
789 1 94 ALA HA 1 95 ILE HB . . 5.030 4.581 4.270 4.939 . 0 0 "[ . 1 . 2]" 1
790 1 94 ALA HA 1 116 LEU HA . . 3.830 3.022 2.066 3.486 . 0 0 "[ . 1 . 2]" 1
791 1 94 ALA HA 1 116 LEU QD . . 4.150 3.730 3.292 4.129 . 0 0 "[ . 1 . 2]" 1
792 1 94 ALA HA 1 118 GLU H . . 3.930 3.869 3.600 4.022 0.092 13 0 "[ . 1 . 2]" 1
793 1 94 ALA HA 1 118 GLU HG3 . . 4.080 3.473 2.301 4.548 0.468 14 0 "[ . 1 . 2]" 1
794 1 94 ALA MB 1 95 ILE H . . 4.090 2.542 1.998 2.850 . 0 0 "[ . 1 . 2]" 1
795 1 94 ALA MB 1 114 ARG HA . . 4.320 3.158 2.613 3.591 . 0 0 "[ . 1 . 2]" 1
796 1 94 ALA MB 1 114 ARG HB3 . . 4.330 2.929 1.935 3.784 . 0 0 "[ . 1 . 2]" 1
797 1 94 ALA MB 1 114 ARG HD3 . . 5.110 4.905 4.402 5.211 0.101 12 0 "[ . 1 . 2]" 1
798 1 94 ALA MB 1 115 TRP H . . 3.880 2.325 1.671 2.935 . 0 0 "[ . 1 . 2]" 1
799 1 94 ALA MB 1 115 TRP HE3 . . 5.500 5.559 5.387 5.609 0.109 12 0 "[ . 1 . 2]" 1
800 1 94 ALA MB 1 116 LEU HA . . 3.990 2.487 2.031 3.202 . 0 0 "[ . 1 . 2]" 1
801 1 94 ALA MB 1 116 LEU QD . . 3.590 1.921 1.829 2.069 . 0 0 "[ . 1 . 2]" 1
802 1 94 ALA MB 1 118 GLU H . . 4.990 4.621 4.141 5.082 0.092 2 0 "[ . 1 . 2]" 1
803 1 95 ILE H 1 95 ILE HB . . 3.400 2.344 2.131 2.674 . 0 0 "[ . 1 . 2]" 1
804 1 95 ILE H 1 95 ILE MD . . 4.610 3.803 3.265 4.242 . 0 0 "[ . 1 . 2]" 1
805 1 95 ILE H 1 95 ILE HG13 . . 4.040 2.760 2.503 2.946 . 0 0 "[ . 1 . 2]" 1
806 1 95 ILE H 1 95 ILE MG . . 4.630 3.733 3.615 3.883 . 0 0 "[ . 1 . 2]" 1
807 1 95 ILE H 1 96 ILE H . . 5.300 4.309 2.568 4.600 . 0 0 "[ . 1 . 2]" 1
808 1 95 ILE H 1 96 ILE MD . . 5.500 4.913 3.820 5.599 0.099 5 0 "[ . 1 . 2]" 1
809 1 95 ILE H 1 115 TRP H . . 3.900 2.790 2.150 3.314 . 0 0 "[ . 1 . 2]" 1
810 1 95 ILE H 1 115 TRP HB3 . . 4.950 2.666 2.237 3.003 . 0 0 "[ . 1 . 2]" 1
811 1 95 ILE H 1 115 TRP HE3 . . 5.120 3.947 3.543 4.527 . 0 0 "[ . 1 . 2]" 1
812 1 95 ILE H 1 118 GLU HG3 . . 4.490 3.546 2.329 4.592 0.102 18 0 "[ . 1 . 2]" 1
813 1 95 ILE HA 1 95 ILE MD . . 3.900 3.816 3.764 3.893 . 0 0 "[ . 1 . 2]" 1
814 1 95 ILE HA 1 95 ILE HG13 . . 3.860 2.809 2.497 3.131 . 0 0 "[ . 1 . 2]" 1
815 1 95 ILE HA 1 95 ILE MG . . 3.610 2.542 2.385 2.731 . 0 0 "[ . 1 . 2]" 1
816 1 95 ILE HA 1 96 ILE H . . 3.220 2.323 2.130 3.288 0.068 9 0 "[ . 1 . 2]" 1
817 1 95 ILE HA 1 96 ILE HB . . 4.860 4.614 4.407 4.851 . 0 0 "[ . 1 . 2]" 1
818 1 95 ILE HA 1 96 ILE MD . . 5.290 4.508 3.475 5.155 . 0 0 "[ . 1 . 2]" 1
819 1 95 ILE HA 1 115 TRP H . . 5.250 4.697 4.320 5.335 0.085 12 0 "[ . 1 . 2]" 1
820 1 95 ILE HA 1 115 TRP HB3 . . 5.310 4.951 4.534 5.393 0.083 12 0 "[ . 1 . 2]" 1
821 1 95 ILE HB 1 95 ILE MD . . 3.310 2.449 2.336 2.600 . 0 0 "[ . 1 . 2]" 1
822 1 95 ILE HB 1 115 TRP H . . 4.750 3.691 3.346 4.225 . 0 0 "[ . 1 . 2]" 1
823 1 95 ILE HB 1 115 TRP HB3 . . 4.160 2.508 2.248 2.998 . 0 0 "[ . 1 . 2]" 1
824 1 95 ILE HB 1 115 TRP HE3 . . 3.770 2.606 2.098 3.286 . 0 0 "[ . 1 . 2]" 1
825 1 95 ILE MD 1 95 ILE MG . . 2.960 2.095 2.045 2.199 . 0 0 "[ . 1 . 2]" 1
826 1 95 ILE MD 1 115 TRP HE3 . . 4.040 2.312 2.109 2.529 . 0 0 "[ . 1 . 2]" 1
827 1 95 ILE MD 1 115 TRP HZ3 . . 3.740 2.724 2.278 3.382 . 0 0 "[ . 1 . 2]" 1
828 1 95 ILE MD 1 118 GLU HG3 . . 5.190 3.125 2.077 4.297 . 0 0 "[ . 1 . 2]" 1
829 1 95 ILE HG13 1 95 ILE MG . . 3.570 3.228 3.192 3.258 . 0 0 "[ . 1 . 2]" 1
830 1 95 ILE HG13 1 115 TRP HE3 . . 5.120 3.844 2.875 4.600 . 0 0 "[ . 1 . 2]" 1
831 1 95 ILE HG13 1 118 GLU HG3 . . 3.930 2.882 2.060 4.020 0.090 12 0 "[ . 1 . 2]" 1
832 1 95 ILE MG 1 96 ILE H . . 3.790 2.823 2.357 3.625 . 0 0 "[ . 1 . 2]" 1
833 1 95 ILE MG 1 96 ILE HA . . 5.500 4.010 3.620 4.667 . 0 0 "[ . 1 . 2]" 1
834 1 95 ILE MG 1 97 PHE QE . . 3.860 2.846 2.375 3.980 0.120 12 0 "[ . 1 . 2]" 1
835 1 95 ILE MG 1 115 TRP H . . 5.430 4.325 4.027 5.105 . 0 0 "[ . 1 . 2]" 1
836 1 95 ILE MG 1 115 TRP HB3 . . 5.270 3.864 3.413 4.331 . 0 0 "[ . 1 . 2]" 1
837 1 95 ILE MG 1 115 TRP HE3 . . 4.110 3.552 2.536 4.109 . 0 0 "[ . 1 . 2]" 1
838 1 96 ILE H 1 96 ILE HB . . 3.570 2.602 2.303 3.618 0.048 9 0 "[ . 1 . 2]" 1
839 1 96 ILE H 1 96 ILE MD . . 4.660 3.403 2.323 4.069 . 0 0 "[ . 1 . 2]" 1
840 1 96 ILE H 1 96 ILE HG13 . . 4.340 3.906 3.578 4.296 . 0 0 "[ . 1 . 2]" 1
841 1 96 ILE H 1 96 ILE MG . . 4.550 3.832 3.697 4.091 . 0 0 "[ . 1 . 2]" 1
842 1 96 ILE HA 1 96 ILE MD . . 3.520 2.256 2.105 3.140 . 0 0 "[ . 1 . 2]" 1
843 1 96 ILE HA 1 96 ILE HG13 . . 3.590 3.735 2.278 3.879 0.289 18 0 "[ . 1 . 2]" 1
844 1 96 ILE HA 1 96 ILE MG . . 3.180 2.457 2.283 2.649 . 0 0 "[ . 1 . 2]" 1
845 1 96 ILE HA 1 97 PHE H . . 2.900 2.146 1.951 2.286 . 0 0 "[ . 1 . 2]" 1
846 1 96 ILE HA 1 97 PHE QD . . 5.020 4.039 3.118 4.840 . 0 0 "[ . 1 . 2]" 1
847 1 96 ILE HA 1 113 VAL H . . 4.690 4.623 4.235 4.772 0.082 3 0 "[ . 1 . 2]" 1
848 1 96 ILE HB 1 96 ILE MD . . 3.420 3.231 2.383 3.297 . 0 0 "[ . 1 . 2]" 1
849 1 96 ILE HB 1 97 PHE H . . 4.570 4.071 3.854 4.318 . 0 0 "[ . 1 . 2]" 1
850 1 96 ILE MD 1 97 PHE H . . 4.550 3.749 3.291 4.658 0.108 6 0 "[ . 1 . 2]" 1
851 1 96 ILE MD 1 112 GLN HE21 . . 5.020 3.721 2.071 5.106 0.086 6 0 "[ . 1 . 2]" 1
852 1 96 ILE MD 1 112 GLN HE22 . . 5.090 4.235 2.399 5.163 0.073 18 0 "[ . 1 . 2]" 1
853 1 96 ILE MD 1 114 ARG HA . . 4.590 2.765 2.129 3.900 . 0 0 "[ . 1 . 2]" 1
854 1 96 ILE MD 1 114 ARG HB3 . . 3.770 2.516 2.005 3.631 . 0 0 "[ . 1 . 2]" 1
855 1 96 ILE MD 1 114 ARG HD3 . . 4.860 4.301 3.103 4.980 0.120 6 0 "[ . 1 . 2]" 1
856 1 96 ILE MD 1 115 TRP H . . 5.200 4.112 3.268 5.010 . 0 0 "[ . 1 . 2]" 1
857 1 96 ILE MG 1 97 PHE H . . 3.440 2.521 2.198 3.144 . 0 0 "[ . 1 . 2]" 1
858 1 96 ILE MG 1 97 PHE HA . . 4.640 3.633 3.238 4.284 . 0 0 "[ . 1 . 2]" 1
859 1 96 ILE MG 1 112 GLN HA . . 5.080 3.509 2.806 4.182 . 0 0 "[ . 1 . 2]" 1
860 1 96 ILE MG 1 112 GLN HB3 . . 5.210 4.716 4.085 5.366 0.156 16 0 "[ . 1 . 2]" 1
861 1 96 ILE MG 1 112 GLN HE21 . . 4.220 3.367 1.941 4.322 0.102 3 0 "[ . 1 . 2]" 1
862 1 96 ILE MG 1 112 GLN HE22 . . 5.090 4.351 3.373 5.133 0.043 3 0 "[ . 1 . 2]" 1
863 1 96 ILE MG 1 113 VAL H . . 4.060 3.695 3.218 4.090 0.030 10 0 "[ . 1 . 2]" 1
864 1 97 PHE H 1 97 PHE QD . . 4.460 3.310 2.596 4.197 . 0 0 "[ . 1 . 2]" 1
865 1 97 PHE H 1 113 VAL H . . 3.800 3.117 2.896 3.365 . 0 0 "[ . 1 . 2]" 1
866 1 97 PHE H 1 113 VAL QG . . 4.260 3.379 2.461 4.056 . 0 0 "[ . 1 . 2]" 1
867 1 97 PHE H 1 115 TRP H . . 5.380 5.006 4.434 5.459 0.079 13 0 "[ . 1 . 2]" 1
868 1 97 PHE HA 1 97 PHE QD . . 3.750 2.721 2.254 3.126 . 0 0 "[ . 1 . 2]" 1
869 1 97 PHE HA 1 98 ARG H . . 2.980 2.227 2.127 2.498 . 0 0 "[ . 1 . 2]" 1
870 1 97 PHE HB3 1 98 ARG H . . 3.570 3.045 2.252 3.641 0.071 1 0 "[ . 1 . 2]" 1
871 1 97 PHE HB3 1 99 ILE MD . . 4.410 2.979 2.446 3.631 . 0 0 "[ . 1 . 2]" 1
872 1 97 PHE HB3 1 113 VAL QG . . 4.110 3.449 3.043 3.830 . 0 0 "[ . 1 . 2]" 1
873 1 97 PHE QD 1 98 ARG H . . 4.240 3.659 2.918 4.317 0.077 1 0 "[ . 1 . 2]" 1
874 1 97 PHE QD 1 99 ILE MD . . 5.440 4.061 3.601 4.629 . 0 0 "[ . 1 . 2]" 1
875 1 97 PHE QD 1 113 VAL HB . . 4.440 4.283 3.639 4.539 0.099 19 0 "[ . 1 . 2]" 1
876 1 97 PHE QD 1 113 VAL QG . . 4.020 2.798 2.109 3.979 . 0 0 "[ . 1 . 2]" 1
877 1 97 PHE QD 1 115 TRP H . . 5.140 3.974 3.069 4.943 . 0 0 "[ . 1 . 2]" 1
878 1 97 PHE QE 1 115 TRP HB3 . . 3.880 3.219 2.425 3.967 0.087 12 0 "[ . 1 . 2]" 1
879 1 97 PHE QE 1 115 TRP HE3 . . 4.250 3.400 2.303 4.196 . 0 0 "[ . 1 . 2]" 1
880 1 98 ARG H 1 98 ARG HB3 . . 3.940 3.570 3.247 3.743 . 0 0 "[ . 1 . 2]" 1
881 1 98 ARG H 1 98 ARG HG3 . . 4.510 4.042 3.406 4.589 0.079 12 0 "[ . 1 . 2]" 1
882 1 98 ARG H 1 99 ILE MD . . 5.500 4.860 3.859 5.382 . 0 0 "[ . 1 . 2]" 1
883 1 98 ARG HA 1 98 ARG HG3 . . 3.500 3.171 2.286 3.594 0.094 13 0 "[ . 1 . 2]" 1
884 1 98 ARG HA 1 99 ILE H . . 2.970 2.282 2.182 2.406 . 0 0 "[ . 1 . 2]" 1
885 1 98 ARG HA 1 99 ILE HB . . 4.850 4.792 4.463 4.921 0.071 15 0 "[ . 1 . 2]" 1
886 1 98 ARG HA 1 99 ILE MD . . 5.150 4.693 3.234 5.251 0.101 8 0 "[ . 1 . 2]" 1
887 1 98 ARG HA 1 111 THR H . . 4.860 4.426 3.478 4.922 0.062 2 0 "[ . 1 . 2]" 1
888 1 98 ARG HB3 1 99 ILE H . . 4.500 3.792 3.159 4.223 . 0 0 "[ . 1 . 2]" 1
889 1 99 ILE H 1 99 ILE HB . . 3.330 2.651 2.276 2.835 . 0 0 "[ . 1 . 2]" 1
890 1 99 ILE H 1 99 ILE MD . . 4.320 3.481 2.213 4.099 . 0 0 "[ . 1 . 2]" 1
891 1 99 ILE H 1 99 ILE HG13 . . 4.500 2.862 2.106 3.374 . 0 0 "[ . 1 . 2]" 1
892 1 99 ILE H 1 99 ILE MG . . 4.340 3.890 3.708 3.979 . 0 0 "[ . 1 . 2]" 1
893 1 99 ILE H 1 111 THR H . . 3.590 3.149 2.634 3.658 0.068 8 0 "[ . 1 . 2]" 1
894 1 99 ILE H 1 111 THR HA . . 5.500 5.100 4.728 5.554 0.054 8 0 "[ . 1 . 2]" 1
895 1 99 ILE H 1 111 THR HB . . 4.510 3.847 3.207 4.591 0.081 9 0 "[ . 1 . 2]" 1
896 1 99 ILE H 1 113 VAL H . . 4.810 4.701 4.078 4.884 0.074 19 0 "[ . 1 . 2]" 1
897 1 99 ILE HA 1 99 ILE MD . . 4.390 3.932 3.731 4.072 . 0 0 "[ . 1 . 2]" 1
898 1 99 ILE HA 1 99 ILE HG13 . . 3.830 2.955 2.566 3.658 . 0 0 "[ . 1 . 2]" 1
899 1 99 ILE HA 1 99 ILE MG . . 3.370 2.410 2.274 2.557 . 0 0 "[ . 1 . 2]" 1
900 1 99 ILE HA 1 100 ALA H . . 3.000 2.300 2.206 2.402 . 0 0 "[ . 1 . 2]" 1
901 1 99 ILE HB 1 99 ILE MD . . 3.080 2.308 2.179 2.575 . 0 0 "[ . 1 . 2]" 1
902 1 99 ILE HB 1 100 ALA H . . 4.170 4.058 3.711 4.260 0.090 12 0 "[ . 1 . 2]" 1
903 1 99 ILE HB 1 100 ALA HA . . 5.000 4.461 3.827 4.671 . 0 0 "[ . 1 . 2]" 1
904 1 99 ILE HB 1 111 THR HB . . 4.090 3.448 2.398 4.166 0.076 3 0 "[ . 1 . 2]" 1
905 1 99 ILE MD 1 99 ILE MG . . 3.480 2.281 2.007 3.014 . 0 0 "[ . 1 . 2]" 1
906 1 99 ILE MD 1 100 ALA H . . 5.500 5.233 4.950 5.486 . 0 0 "[ . 1 . 2]" 1
907 1 99 ILE MD 1 111 THR HB . . 4.950 4.009 2.989 5.021 0.071 20 0 "[ . 1 . 2]" 1
908 1 99 ILE MD 1 111 THR MG . . 4.740 3.753 2.267 4.608 . 0 0 "[ . 1 . 2]" 1
909 1 99 ILE MD 1 113 VAL HB . . 5.110 4.049 2.257 5.193 0.083 17 0 "[ . 1 . 2]" 1
910 1 99 ILE MD 1 113 VAL QG . . 4.120 2.416 1.856 3.597 . 0 0 "[ . 1 . 2]" 1
911 1 99 ILE HG13 1 99 ILE MG . . 3.370 3.153 2.813 3.255 . 0 0 "[ . 1 . 2]" 1
912 1 99 ILE HG13 1 100 ALA H . . 5.020 5.059 4.723 5.381 0.361 9 0 "[ . 1 . 2]" 1
913 1 99 ILE MG 1 100 ALA H . . 3.440 2.532 2.158 2.959 . 0 0 "[ . 1 . 2]" 1
914 1 99 ILE MG 1 100 ALA MB . . 5.500 4.185 4.023 4.337 . 0 0 "[ . 1 . 2]" 1
915 1 99 ILE MG 1 111 THR H . . 5.500 4.813 4.179 5.296 . 0 0 "[ . 1 . 2]" 1
916 1 99 ILE MG 1 111 THR HB . . 5.330 4.657 3.324 5.381 0.051 9 0 "[ . 1 . 2]" 1
917 1 99 ILE MG 1 111 THR MG . . 5.440 4.890 3.333 5.550 0.110 10 0 "[ . 1 . 2]" 1
918 1 100 ALA H 1 100 ALA MB . . 3.380 2.746 2.658 2.837 . 0 0 "[ . 1 . 2]" 1
919 1 100 ALA H 1 101 ALA H . . 4.960 4.296 4.063 4.408 . 0 0 "[ . 1 . 2]" 1
920 1 100 ALA HA 1 101 ALA H . . 3.040 2.276 2.123 2.431 . 0 0 "[ . 1 . 2]" 1
921 1 100 ALA MB 1 107 TYR HB3 . . 5.500 3.392 2.160 4.696 . 0 0 "[ . 1 . 2]" 1
922 1 100 ALA MB 1 107 TYR QD . . 3.520 2.401 2.035 3.200 . 0 0 "[ . 1 . 2]" 1
923 1 100 ALA MB 1 107 TYR QE . . 4.110 3.287 2.196 4.188 0.078 9 0 "[ . 1 . 2]" 1
924 1 100 ALA MB 1 108 GLY H . . 4.750 4.255 2.652 4.846 0.096 4 0 "[ . 1 . 2]" 1
925 1 100 ALA MB 1 108 GLY QA . . 5.340 4.869 3.535 5.444 0.104 5 0 "[ . 1 . 2]" 1
926 1 100 ALA MB 1 110 ALA MB . . 3.610 2.664 2.143 3.721 0.111 19 0 "[ . 1 . 2]" 1
927 1 101 ALA H 1 101 ALA MB . . 3.140 2.246 2.177 2.388 . 0 0 "[ . 1 . 2]" 1
928 1 101 ALA H 1 102 ARG H . . 5.140 4.532 4.188 4.662 . 0 0 "[ . 1 . 2]" 1
929 1 101 ALA H 1 107 TYR QD . . 4.650 4.234 3.441 4.728 0.078 9 0 "[ . 1 . 2]" 1
930 1 101 ALA HA 1 102 ARG H . . 3.040 2.213 2.136 2.308 . 0 0 "[ . 1 . 2]" 1
931 1 101 ALA MB 1 102 ARG H . . 3.620 3.133 2.711 3.438 . 0 0 "[ . 1 . 2]" 1
932 1 102 ARG H 1 102 ARG HB3 . . 3.870 2.680 2.342 3.452 . 0 0 "[ . 1 . 2]" 1
933 1 102 ARG H 1 102 ARG HG3 . . 4.510 4.449 3.544 4.686 0.176 13 0 "[ . 1 . 2]" 1
934 1 102 ARG H 1 103 ASN H . . 5.060 4.104 3.750 4.391 . 0 0 "[ . 1 . 2]" 1
935 1 102 ARG H 1 103 ASN HB3 . . 5.370 5.120 4.638 5.423 0.053 20 0 "[ . 1 . 2]" 1
936 1 102 ARG H 1 107 TYR QE . . 4.760 3.671 2.947 4.484 . 0 0 "[ . 1 . 2]" 1
937 1 102 ARG HA 1 102 ARG HD3 . . 3.880 3.164 2.127 3.946 0.066 15 0 "[ . 1 . 2]" 1
938 1 102 ARG HA 1 102 ARG HG3 . . 4.030 3.293 2.733 3.611 . 0 0 "[ . 1 . 2]" 1
939 1 102 ARG HA 1 103 ASN H . . 3.330 2.198 2.071 2.380 . 0 0 "[ . 1 . 2]" 1
940 1 102 ARG HA 1 107 TYR QD . . 4.280 3.229 2.092 4.194 . 0 0 "[ . 1 . 2]" 1
941 1 102 ARG HA 1 107 TYR QE . . 3.400 3.067 2.331 3.477 0.077 17 0 "[ . 1 . 2]" 1
942 1 102 ARG HB3 1 102 ARG HD3 . . 3.990 3.473 2.350 3.828 . 0 0 "[ . 1 . 2]" 1
943 1 102 ARG HB3 1 103 ASN H . . 4.530 4.344 3.883 4.481 . 0 0 "[ . 1 . 2]" 1
944 1 102 ARG HB3 1 107 TYR QE . . 4.830 4.153 3.663 4.767 . 0 0 "[ . 1 . 2]" 1
945 1 102 ARG HD3 1 107 TYR QD . . 5.500 4.493 2.990 5.589 0.089 6 0 "[ . 1 . 2]" 1
946 1 102 ARG HG3 1 103 ASN H . . 4.320 4.608 3.493 5.680 1.360 7 10 "[ **+ ***-* * *2]" 1
947 1 103 ASN H 1 104 GLU HA . . 5.360 5.227 4.794 5.428 0.068 7 0 "[ . 1 . 2]" 1
948 1 103 ASN HA 1 103 ASN QD . . 4.630 4.100 3.511 4.493 . 0 0 "[ . 1 . 2]" 1
949 1 103 ASN HA 1 105 LYS H . . 5.040 4.399 4.010 4.712 . 0 0 "[ . 1 . 2]" 1
950 1 103 ASN HB3 1 104 GLU H . . 3.600 3.657 3.602 3.680 0.080 8 0 "[ . 1 . 2]" 1
951 1 103 ASN QD 1 104 GLU H . . 5.300 4.293 3.025 4.927 . 0 0 "[ . 1 . 2]" 1
952 1 103 ASN QD 1 105 LYS H . . 4.140 3.304 2.003 4.221 0.081 6 0 "[ . 1 . 2]" 1
953 1 103 ASN QD 1 105 LYS HD3 . . 5.500 5.193 3.865 6.216 0.716 2 2 "[ + . 1 - . 2]" 1
954 1 104 GLU H 1 104 GLU HB3 . . 3.490 3.495 2.497 3.631 0.141 8 0 "[ . 1 . 2]" 1
955 1 104 GLU H 1 104 GLU HG3 . . 3.960 2.727 2.121 3.546 . 0 0 "[ . 1 . 2]" 1
956 1 104 GLU H 1 105 LYS H . . 3.440 2.850 2.392 3.111 . 0 0 "[ . 1 . 2]" 1
957 1 104 GLU H 1 106 GLY H . . 4.710 4.535 4.200 4.789 0.079 16 0 "[ . 1 . 2]" 1
958 1 104 GLU HA 1 104 GLU HG3 . . 3.690 3.103 2.376 3.652 . 0 0 "[ . 1 . 2]" 1
959 1 104 GLU HA 1 106 GLY H . . 4.870 4.190 3.569 4.944 0.074 17 0 "[ . 1 . 2]" 1
960 1 104 GLU HB3 1 105 LYS H . . 4.100 3.736 3.198 4.400 0.300 8 0 "[ . 1 . 2]" 1
961 1 104 GLU HG3 1 105 LYS H . . 4.980 4.757 2.411 5.152 0.172 2 0 "[ . 1 . 2]" 1
962 1 105 LYS H 1 105 LYS HG3 . . 4.340 3.993 3.385 4.428 0.088 6 0 "[ . 1 . 2]" 1
963 1 105 LYS H 1 106 GLY H . . 2.880 2.650 2.081 2.933 0.053 11 0 "[ . 1 . 2]" 1
964 1 105 LYS HA 1 105 LYS HD3 . . 3.850 3.189 2.162 3.924 0.074 9 0 "[ . 1 . 2]" 1
965 1 105 LYS HA 1 105 LYS HG3 . . 3.970 3.296 2.272 3.868 . 0 0 "[ . 1 . 2]" 1
966 1 105 LYS HG3 1 106 GLY H . . 5.470 5.113 4.646 5.552 0.082 1 0 "[ . 1 . 2]" 1
967 1 106 GLY H 1 107 TYR H . . 5.080 3.902 2.095 4.487 . 0 0 "[ . 1 . 2]" 1
968 1 106 GLY QA 1 107 TYR H . . 3.260 2.346 2.137 2.960 . 0 0 "[ . 1 . 2]" 1
969 1 106 GLY QA 1 107 TYR HB3 . . 4.890 5.036 4.135 5.353 0.463 2 0 "[ . 1 . 2]" 1
970 1 107 TYR H 1 107 TYR HB3 . . 3.160 3.432 2.532 3.682 0.522 13 3 "[ . * - + . 2]" 1
971 1 107 TYR H 1 107 TYR QD . . 3.940 3.334 2.679 4.029 0.089 10 0 "[ . 1 . 2]" 1
972 1 107 TYR HA 1 107 TYR QD . . 4.520 2.439 2.038 3.818 . 0 0 "[ . 1 . 2]" 1
973 1 107 TYR HA 1 108 GLY H . . 3.080 2.530 2.102 3.149 0.069 20 0 "[ . 1 . 2]" 1
974 1 107 TYR HB3 1 108 GLY H . . 5.030 3.940 2.095 4.481 . 0 0 "[ . 1 . 2]" 1
975 1 107 TYR QD 1 108 GLY H . . 4.470 4.434 3.790 4.579 0.109 17 0 "[ . 1 . 2]" 1
976 1 108 GLY QA 1 109 PRO HD3 . . 3.570 2.507 2.232 2.707 . 0 0 "[ . 1 . 2]" 1
977 1 110 ALA HA 1 111 THR H . . 2.830 2.280 2.186 2.435 . 0 0 "[ . 1 . 2]" 1
978 1 110 ALA MB 1 111 THR H . . 3.350 2.955 2.381 3.460 0.110 12 0 "[ . 1 . 2]" 1
979 1 111 THR H 1 111 THR HB . . 3.240 2.602 2.417 2.917 . 0 0 "[ . 1 . 2]" 1
980 1 111 THR HA 1 111 THR MG . . 3.260 2.530 2.202 3.259 . 0 0 "[ . 1 . 2]" 1
981 1 111 THR HA 1 112 GLN H . . 2.760 2.240 2.081 2.654 . 0 0 "[ . 1 . 2]" 1
982 1 111 THR HA 1 112 GLN HA . . 5.170 4.484 4.336 4.616 . 0 0 "[ . 1 . 2]" 1
983 1 111 THR HA 1 112 GLN HB3 . . 5.270 4.614 4.286 4.891 . 0 0 "[ . 1 . 2]" 1
984 1 111 THR HA 1 113 VAL QG . . 4.400 4.343 4.128 4.457 0.057 20 0 "[ . 1 . 2]" 1
985 1 111 THR HB 1 112 GLN H . . 4.680 4.224 3.759 4.488 . 0 0 "[ . 1 . 2]" 1
986 1 111 THR HB 1 113 VAL QG . . 5.310 3.258 2.434 4.091 . 0 0 "[ . 1 . 2]" 1
987 1 111 THR MG 1 112 GLN H . . 3.450 3.027 2.401 3.444 . 0 0 "[ . 1 . 2]" 1
988 1 111 THR MG 1 113 VAL H . . 5.440 3.748 2.937 4.748 . 0 0 "[ . 1 . 2]" 1
989 1 112 GLN H 1 112 GLN HB3 . . 3.320 2.587 2.320 3.132 . 0 0 "[ . 1 . 2]" 1
990 1 112 GLN H 1 113 VAL H . . 4.530 4.072 3.154 4.537 0.007 14 0 "[ . 1 . 2]" 1
991 1 112 GLN HA 1 113 VAL H . . 2.960 2.279 2.179 2.399 . 0 0 "[ . 1 . 2]" 1
992 1 112 GLN HA 1 113 VAL QG . . 4.950 3.676 3.260 4.016 . 0 0 "[ . 1 . 2]" 1
993 1 112 GLN HB3 1 112 GLN HE21 . . 4.540 3.967 2.610 4.601 0.061 14 0 "[ . 1 . 2]" 1
994 1 112 GLN HB3 1 113 VAL H . . 4.600 4.457 4.185 4.557 . 0 0 "[ . 1 . 2]" 1
995 1 113 VAL H 1 113 VAL HB . . 3.590 3.066 2.340 3.682 0.092 19 0 "[ . 1 . 2]" 1
996 1 113 VAL H 1 113 VAL QG . . 3.530 2.321 1.859 2.906 . 0 0 "[ . 1 . 2]" 1
997 1 113 VAL H 1 114 ARG H . . 4.960 4.508 4.381 4.614 . 0 0 "[ . 1 . 2]" 1
998 1 113 VAL HA 1 114 ARG H . . 2.870 2.373 2.201 2.510 . 0 0 "[ . 1 . 2]" 1
999 1 113 VAL HA 1 114 ARG HD3 . . 4.460 3.525 2.686 4.540 0.080 16 0 "[ . 1 . 2]" 1
1000 1 113 VAL HB 1 114 ARG H . . 4.170 3.197 2.212 4.149 . 0 0 "[ . 1 . 2]" 1
1001 1 113 VAL HB 1 114 ARG HA . . 4.640 4.604 4.307 4.721 0.081 9 0 "[ . 1 . 2]" 1
1002 1 113 VAL QG 1 114 ARG H . . 3.770 2.735 2.069 3.417 . 0 0 "[ . 1 . 2]" 1
1003 1 113 VAL QG 1 114 ARG HA . . 4.600 3.618 3.372 3.905 . 0 0 "[ . 1 . 2]" 1
1004 1 113 VAL QG 1 115 TRP H . . 5.090 4.274 3.791 4.779 . 0 0 "[ . 1 . 2]" 1
1005 1 114 ARG H 1 114 ARG HB3 . . 3.890 3.488 3.050 3.957 0.067 16 0 "[ . 1 . 2]" 1
1006 1 114 ARG H 1 114 ARG HD3 . . 5.500 2.716 1.780 4.077 . 0 0 "[ . 1 . 2]" 1
1007 1 114 ARG H 1 114 ARG HG3 . . 4.440 3.886 3.213 4.184 . 0 0 "[ . 1 . 2]" 1
1008 1 114 ARG H 1 115 TRP H . . 5.010 4.264 4.106 4.471 . 0 0 "[ . 1 . 2]" 1
1009 1 114 ARG HA 1 114 ARG HD3 . . 5.180 4.140 3.526 5.253 0.073 18 0 "[ . 1 . 2]" 1
1010 1 114 ARG HA 1 114 ARG HG3 . . 3.770 3.791 2.301 4.304 0.534 9 2 "[ . +1 - . 2]" 1
1011 1 114 ARG HA 1 115 TRP H . . 2.880 2.220 2.081 2.425 . 0 0 "[ . 1 . 2]" 1
1012 1 114 ARG HB3 1 115 TRP H . . 4.840 3.814 2.709 4.316 . 0 0 "[ . 1 . 2]" 1
1013 1 114 ARG HB3 1 116 LEU QD . . 4.750 3.643 2.277 4.363 . 0 0 "[ . 1 . 2]" 1
1014 1 114 ARG HD3 1 116 LEU QD . . 4.800 4.116 3.529 4.859 0.059 13 0 "[ . 1 . 2]" 1
1015 1 114 ARG HG3 1 115 TRP H . . 4.910 4.980 4.367 5.568 0.658 9 2 "[ . +1 . -2]" 1
1016 1 115 TRP H 1 115 TRP HB3 . . 3.650 2.555 2.331 2.789 . 0 0 "[ . 1 . 2]" 1
1017 1 115 TRP H 1 115 TRP HE3 . . 5.340 4.915 4.746 5.258 . 0 0 "[ . 1 . 2]" 1
1018 1 115 TRP H 1 116 LEU QD . . 5.500 4.036 3.009 5.222 . 0 0 "[ . 1 . 2]" 1
1019 1 115 TRP HA 1 115 TRP HD1 . . 3.250 2.355 2.070 2.609 . 0 0 "[ . 1 . 2]" 1
1020 1 115 TRP HA 1 115 TRP HE1 . . 4.750 4.755 4.503 4.833 0.083 20 0 "[ . 1 . 2]" 1
1021 1 115 TRP HA 1 116 LEU H . . 2.910 2.210 1.992 2.450 . 0 0 "[ . 1 . 2]" 1
1022 1 115 TRP HA 1 116 LEU QD . . 5.260 3.721 2.277 4.723 . 0 0 "[ . 1 . 2]" 1
1023 1 115 TRP HA 1 116 LEU HG . . 5.030 4.698 4.197 5.134 0.104 12 0 "[ . 1 . 2]" 1
1024 1 115 TRP HB3 1 115 TRP HE3 . . 3.990 2.534 2.403 2.807 . 0 0 "[ . 1 . 2]" 1
1025 1 115 TRP HB3 1 116 LEU H . . 5.090 4.438 4.252 4.598 . 0 0 "[ . 1 . 2]" 1
1026 1 115 TRP HD1 1 116 LEU H . . 3.810 3.544 3.158 3.882 0.072 13 0 "[ . 1 . 2]" 1
1027 1 115 TRP HE3 1 118 GLU HG3 . . 3.770 3.912 2.800 5.508 1.738 17 5 "[ . -* . +* *]" 1
1028 1 115 TRP HZ3 1 118 GLU HG3 . . 5.470 4.844 3.517 6.915 1.445 17 1 "[ . 1 . + 2]" 1
1029 1 116 LEU H 1 116 LEU HB3 . . 3.710 3.556 3.284 3.704 . 0 0 "[ . 1 . 2]" 1
1030 1 116 LEU H 1 116 LEU QD . . 4.110 2.554 1.611 3.253 . 0 0 "[ . 1 . 2]" 1
1031 1 116 LEU H 1 116 LEU HG . . 3.390 2.835 2.139 3.481 0.091 11 0 "[ . 1 . 2]" 1
1032 1 116 LEU H 1 118 GLU H . . 5.080 4.901 4.296 5.159 0.079 18 0 "[ . 1 . 2]" 1
1033 1 116 LEU HA 1 116 LEU QD . . 3.040 2.424 2.151 2.972 . 0 0 "[ . 1 . 2]" 1
1034 1 116 LEU HB3 1 117 GLN H . . 4.280 3.436 2.235 4.509 0.229 12 0 "[ . 1 . 2]" 1
1035 1 116 LEU HB3 1 118 GLU H . . 4.930 4.835 4.348 5.016 0.086 6 0 "[ . 1 . 2]" 1
1036 1 116 LEU QD 1 117 GLN H . . 5.500 3.877 2.408 4.593 . 0 0 "[ . 1 . 2]" 1
1037 1 116 LEU QD 1 118 GLU H . . 5.500 4.816 4.329 5.158 . 0 0 "[ . 1 . 2]" 1
1038 1 117 GLN H 1 117 GLN HB3 . . 3.860 3.609 2.655 3.929 0.069 14 0 "[ . 1 . 2]" 1
1039 1 117 GLN H 1 117 GLN HG3 . . 4.140 4.204 2.849 5.092 0.952 7 5 "[ . +* 1 - . **2]" 1
1040 1 117 GLN H 1 118 GLU H . . 4.200 2.551 1.979 3.094 . 0 0 "[ . 1 . 2]" 1
1041 1 117 GLN HA 1 117 GLN HG3 . . 4.000 2.825 2.065 3.674 . 0 0 "[ . 1 . 2]" 1
1042 1 118 GLU H 1 118 GLU HG3 . . 3.840 3.383 1.864 4.479 0.639 20 3 "[ .* 1- . +]" 1
1043 1 118 GLU HA 1 118 GLU HG3 . . 3.970 3.646 2.580 4.068 0.098 1 0 "[ . 1 . 2]" 1
1044 1 119 THR H 1 119 THR MG . . 4.020 3.506 2.457 4.013 . 0 0 "[ . 1 . 2]" 1
1045 1 119 THR HA 1 119 THR MG . . 2.690 2.357 2.182 2.850 0.160 4 0 "[ . 1 . 2]" 1
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