NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392221 |
1pul   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pul
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 996
_Distance_constraint_stats_list.Viol_count 1533
_Distance_constraint_stats_list.Viol_total 37758.133
_Distance_constraint_stats_list.Viol_max 15.962
_Distance_constraint_stats_list.Viol_rms 1.4178
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3791
_Distance_constraint_stats_list.Viol_average_violations_only 2.4630
_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 18 ASN 0.423 0.139 7 0 "[ . 1]"
1 19 TRP 27.174 5.200 7 8 "[ -* **+***]"
1 20 ASP 6.508 0.990 5 5 "[- * +** 1]"
1 21 ASP 2.417 0.572 1 2 "[+ -. 1]"
1 22 ALA 7.923 0.990 5 7 "[- **+** *1]"
1 23 ASP 1.121 0.545 3 1 "[ + . 1]"
1 24 VAL 22.576 3.064 5 9 "[****+ ****]"
1 25 LYS 12.219 1.196 8 7 "[** -** +*1]"
1 26 LYS 5.338 0.796 6 3 "[ -.+ *1]"
1 27 ARG 272.186 14.004 9 10 [*****-**+*]
1 28 TRP 738.861 15.962 7 10 [**-***+***]
1 29 ASP 12.382 1.477 6 8 "[**-*.+** *]"
1 30 ALA 0.044 0.044 10 0 "[ . 1]"
1 31 PHE 177.056 10.006 8 10 [****-**+**]
1 32 THR 452.365 9.708 4 10 [***+****-*]
1 33 LYS 46.505 6.832 9 10 [**-*****+*]
1 34 PHE 7.889 1.239 7 4 "[ *- + *1]"
1 35 GLY 30.075 3.922 4 10 [***+****-*]
1 36 ALA 23.971 4.004 4 10 [**-+******]
1 37 ALA 47.141 6.832 9 10 [**-*****+*]
1 38 THR 72.203 9.477 9 10 [-*******+*]
1 39 ALA 74.347 4.004 4 10 [-**+******]
1 40 THR 402.990 15.962 7 10 [******+-**]
1 41 GLU 469.432 12.334 6 10 [-****+****]
1 42 MET 90.252 4.425 10 10 [****-****+]
1 43 THR 2.212 0.576 6 2 "[- .+ 1]"
1 44 GLY 11.227 1.410 3 8 "[-*+ **** *]"
1 45 LYS 65.617 4.425 10 10 [*********+]
1 46 ASN 219.032 8.136 1 10 [+**-******]
1 47 PHE 109.711 5.789 3 10 [**+*-*****]
1 48 ASP 4.740 0.481 6 0 "[ . 1]"
1 49 LYS 169.772 10.006 8 10 [*****-*+**]
1 50 TRP 449.503 10.681 8 10 [*******+*-]
1 51 LEU 113.085 5.325 5 10 [****+****-]
1 52 LYS 2.313 0.989 5 1 "[ + 1]"
1 53 ASP 0.000 0.000 . 0 "[ . 1]"
1 54 ALA 122.656 7.707 9 10 [*****-**+*]
1 55 GLY 49.847 5.639 9 10 [********+-]
1 56 VAL 11.768 1.082 9 10 [********+-]
1 57 LEU 93.633 4.627 4 10 [***+****-*]
1 58 ASP 11.168 1.634 6 7 "[ ***+- **]"
1 59 ASN 316.682 10.045 5 10 [-***+*****]
1 60 LYS 19.893 3.138 3 9 "[* +**-****]"
1 61 ALA 53.923 4.627 4 10 [***+*-****]
1 62 ILE 220.998 9.248 3 10 [-*+*******]
1 63 THR 233.386 9.312 5 10 [****+****-]
1 64 GLY 35.713 6.762 6 7 "[ ***+***1]"
1 65 THR 75.147 10.045 5 10 [****+****-]
1 66 MET 10.183 1.121 10 8 "[****** - +]"
1 67 THR 0.000 0.000 . 0 "[ . 1]"
1 68 GLY 0.179 0.141 3 0 "[ . 1]"
1 69 ILE 0.000 0.000 . 0 "[ . 1]"
1 70 ALA 7.672 0.914 7 5 "[ * **+ -1]"
1 71 PHE 221.339 7.124 3 10 [**+*-*****]
1 72 SER 3.096 0.823 1 1 "[+ . 1]"
1 73 LYS 12.294 1.236 9 7 "[ ***.***+1]"
1 74 VAL 20.366 1.648 10 9 "[****-* **+]"
1 75 THR 60.052 4.751 8 10 [-******+**]
1 76 GLY 7.759 1.060 7 7 "[** *.-+ **]"
1 77 PRO 14.103 2.580 10 6 "[- * .* **+]"
1 78 LYS 16.997 1.854 9 9 [****.-**+*]
1 79 LYS 41.605 4.751 8 10 [-******+**]
1 80 LYS 1.588 0.712 1 1 "[+ . 1]"
1 81 ALA 25.093 2.060 3 7 "[**+ -** *]"
1 82 THR 249.673 7.794 5 10 [-***+*****]
1 83 PHE 179.097 8.065 6 10 [-****+****]
1 84 ASP 5.723 0.968 10 2 "[ . * +]"
1 85 GLU 6.867 0.998 10 3 "[-* . +]"
1 86 THR 135.871 8.136 1 10 [+*******-*]
1 87 LYS 0.705 0.470 9 0 "[ . 1]"
1 88 LYS 15.404 1.426 9 6 "[ - *.* *+*]"
1 89 VAL 22.047 2.518 6 10 [*****+***-]
1 90 LEU 26.111 3.188 8 10 [*******+*-]
1 91 ALA 0.000 0.000 . 0 "[ . 1]"
1 92 PHE 0.000 0.000 . 0 "[ . 1]"
1 93 VAL 9.944 0.717 9 4 "[ * .*- +1]"
1 94 ALA 8.301 1.157 6 6 "[*-* .+* *1]"
1 95 GLU 10.915 1.114 6 6 "[** *.+- *1]"
1 96 ASP 20.787 4.703 6 8 "[*** *+*- *]"
1 97 ARG 37.473 3.048 1 9 "[+ ******-*]"
1 98 ALA 5.502 1.523 1 4 "[+ *.-* 1]"
1 99 ARG 13.225 1.628 8 8 "[* *** -+**]"
1 100 GLN 31.550 4.703 6 10 [*****+*-**]
1 101 SER 14.940 1.185 3 8 "[* + *-****]"
1 102 LYS 7.986 0.905 2 7 "[ + **** -*]"
1 103 LYS 23.521 2.189 1 10 [+*******-*]
1 104 PRO 0.648 0.257 7 0 "[ . 1]"
1 105 ILE 59.516 3.048 1 10 [+*******-*]
1 106 GLN 0.752 0.194 5 0 "[ . 1]"
1 107 ASP 0.396 0.257 7 0 "[ . 1]"
1 108 GLU 150.045 10.681 8 10 [*******+-*]
1 109 LEU 9.810 1.296 7 5 "[* * .*+ -1]"
1 110 ASP 4.804 1.393 2 1 "[ + . 1]"
1 111 ALA 4.820 1.661 2 2 "[ + - 1]"
1 112 ILE 98.063 4.875 6 10 [*****+****]
1 113 THR 36.344 5.200 7 8 "[ ** -*+***]"
1 114 GLU 6.824 1.420 1 5 "[+ * -* * 1]"
1 115 LYS 52.659 6.750 6 10 [****-+****]
1 116 LEU 148.047 7.707 9 10 [********+*]
1 117 ALA 18.436 3.064 5 9 "[****+ ***-]"
1 118 LYS 14.224 1.420 1 8 "[+***-* **1]"
1 119 LEU 8.571 1.776 9 5 "[* *** +1]"
1 120 GLU 272.127 14.004 9 10 [*****-**+*]
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 18 ASN H 1 19 TRP H . . 4.000 3.602 3.458 3.700 . 0 0 "[ . 1]" 1
2 1 18 ASN HA 1 19 TRP H . . 3.000 2.149 2.069 2.247 . 0 0 "[ . 1]" 1
3 1 18 ASN HA 1 19 TRP HE1 . . 5.000 4.966 4.614 5.139 0.139 7 0 "[ . 1]" 1
4 1 18 ASN QB 1 19 TRP H . . 4.600 3.752 3.374 3.995 . 0 0 "[ . 1]" 1
5 1 19 TRP HA 1 20 ASP H . . 5.000 2.244 2.121 2.637 . 0 0 "[ . 1]" 1
6 1 19 TRP HA 1 20 ASP QB . . 5.600 4.077 3.776 4.425 . 0 0 "[ . 1]" 1
7 1 19 TRP QB 1 20 ASP H . . 4.000 2.926 1.946 3.678 . 0 0 "[ . 1]" 1
8 1 19 TRP QB 1 20 ASP HA . . 5.000 4.601 4.239 4.937 . 0 0 "[ . 1]" 1
9 1 19 TRP QB 1 24 VAL H . . 5.000 3.544 2.865 4.307 . 0 0 "[ . 1]" 1
10 1 19 TRP QB 1 24 VAL MG1 . . 7.000 3.693 2.140 4.380 . 0 0 "[ . 1]" 1
11 1 19 TRP QB 1 24 VAL MG2 . . 7.000 2.548 1.606 4.281 . 0 0 "[ . 1]" 1
12 1 19 TRP QB 1 24 VAL QG . . 8.400 2.294 1.603 3.392 . 0 0 "[ . 1]" 1
13 1 19 TRP HE1 1 113 THR HA . . 5.000 6.652 3.454 10.200 5.200 7 8 "[ -* **+***]" 1
14 1 19 TRP HE1 1 116 LEU MD1 . . 6.000 3.190 1.727 4.915 . 0 0 "[ . 1]" 1
15 1 19 TRP HE1 1 116 LEU MD2 . . 6.000 3.639 2.198 4.926 . 0 0 "[ . 1]" 1
16 1 19 TRP HZ2 1 24 VAL QG . . 7.400 4.298 3.270 5.437 . 0 0 "[ . 1]" 1
17 1 19 TRP HH2 1 113 THR MG . . 6.000 6.424 3.618 8.834 2.834 10 4 "[ - * * +]" 1
18 1 20 ASP H 1 20 ASP HB2 . . 4.000 2.783 2.416 3.402 . 0 0 "[ . 1]" 1
19 1 20 ASP H 1 20 ASP HB3 . . 4.000 2.674 2.300 3.625 . 0 0 "[ . 1]" 1
20 1 20 ASP H 1 23 ASP QB . . 6.000 1.796 1.288 2.376 . 0 0 "[ . 1]" 1
21 1 20 ASP H 1 24 VAL QG . . 7.400 3.643 2.656 4.675 . 0 0 "[ . 1]" 1
22 1 20 ASP HA 1 21 ASP H . . 4.000 2.379 2.237 2.515 . 0 0 "[ . 1]" 1
23 1 20 ASP HA 1 22 ALA H . . 4.000 4.539 4.250 4.990 0.990 5 5 "[- * +** 1]" 1
24 1 20 ASP HA 1 23 ASP QB . . 6.000 3.826 3.650 4.238 . 0 0 "[ . 1]" 1
25 1 20 ASP QB 1 22 ALA MB . . 7.000 3.787 3.169 4.290 . 0 0 "[ . 1]" 1
26 1 20 ASP HB2 1 23 ASP H . . 4.000 3.747 2.270 4.545 0.545 3 1 "[ + . 1]" 1
27 1 20 ASP HB3 1 23 ASP H . . 4.000 2.554 2.064 3.633 . 0 0 "[ . 1]" 1
28 1 20 ASP QB 1 23 ASP HA . . 5.000 4.083 3.680 4.558 . 0 0 "[ . 1]" 1
29 1 20 ASP QB 1 23 ASP QB . . 6.000 1.929 1.642 2.263 . 0 0 "[ . 1]" 1
30 1 20 ASP QB 1 24 VAL H . . 5.000 3.938 3.725 4.277 . 0 0 "[ . 1]" 1
31 1 20 ASP QB 1 24 VAL QG . . 8.400 4.299 4.051 4.703 . 0 0 "[ . 1]" 1
32 1 21 ASP H 1 22 ALA H . . 4.000 2.949 2.773 3.238 . 0 0 "[ . 1]" 1
33 1 21 ASP QB 1 22 ALA H . . 4.000 2.307 2.122 2.474 . 0 0 "[ . 1]" 1
34 1 21 ASP QB 1 22 ALA MB . . 6.000 3.508 3.454 3.544 . 0 0 "[ . 1]" 1
35 1 21 ASP QB 1 25 LYS QB . . 6.000 6.224 5.824 6.572 0.572 1 2 "[+ -. 1]" 1
36 1 22 ALA H 1 23 ASP H . . 3.000 2.391 2.296 2.516 . 0 0 "[ . 1]" 1
37 1 22 ALA HA 1 23 ASP H . . 4.000 3.508 3.479 3.522 . 0 0 "[ . 1]" 1
38 1 22 ALA HA 1 25 LYS H . . 4.000 3.741 3.433 3.977 . 0 0 "[ . 1]" 1
39 1 22 ALA HA 1 25 LYS QB . . 5.000 3.336 2.869 3.835 . 0 0 "[ . 1]" 1
40 1 22 ALA HA 1 26 LYS QG . . 6.000 5.352 3.950 6.796 0.796 6 3 "[ -.+ *1]" 1
41 1 22 ALA MB 1 23 ASP H . . 6.000 2.570 2.535 2.605 . 0 0 "[ . 1]" 1
42 1 22 ALA MB 1 23 ASP QB . . 6.600 3.849 3.766 3.979 . 0 0 "[ . 1]" 1
43 1 22 ALA MB 1 25 LYS QB . . 7.000 4.315 3.903 4.707 . 0 0 "[ . 1]" 1
44 1 22 ALA MB 1 26 LYS QG . . 7.000 4.314 3.095 5.399 . 0 0 "[ . 1]" 1
45 1 23 ASP H 1 24 VAL H . . 4.000 2.792 2.681 2.971 . 0 0 "[ . 1]" 1
46 1 23 ASP H 1 24 VAL QG . . 7.400 3.977 3.791 4.196 . 0 0 "[ . 1]" 1
47 1 23 ASP HA 1 26 LYS H . . 5.000 3.419 3.088 3.678 . 0 0 "[ . 1]" 1
48 1 23 ASP HA 1 26 LYS QD . . 6.000 3.281 1.847 4.373 . 0 0 "[ . 1]" 1
49 1 23 ASP QB 1 24 VAL H . . 5.600 2.612 2.516 2.656 . 0 0 "[ . 1]" 1
50 1 23 ASP QB 1 24 VAL QG . . 8.000 3.507 3.215 4.110 . 0 0 "[ . 1]" 1
51 1 24 VAL H 1 24 VAL HB . . 4.000 2.719 2.542 3.647 . 0 0 "[ . 1]" 1
52 1 24 VAL H 1 25 LYS H . . 5.000 2.846 2.696 3.036 . 0 0 "[ . 1]" 1
53 1 24 VAL HA 1 27 ARG H . . 4.000 3.836 3.607 4.267 0.267 8 0 "[ . 1]" 1
54 1 24 VAL HA 1 27 ARG QB . . 6.000 3.226 2.608 4.062 . 0 0 "[ . 1]" 1
55 1 24 VAL HA 1 27 ARG QG . . 6.000 4.274 3.122 5.327 . 0 0 "[ . 1]" 1
56 1 24 VAL HA 1 27 ARG QD . . 6.000 4.267 3.037 5.472 . 0 0 "[ . 1]" 1
57 1 24 VAL HA 1 117 ALA MB . . 6.000 7.844 6.174 9.064 3.064 5 9 "[****+ ***-]" 1
58 1 24 VAL HB 1 25 LYS H . . 4.000 2.818 2.140 3.984 . 0 0 "[ . 1]" 1
59 1 24 VAL HB 1 25 LYS HA . . 5.000 4.491 4.019 5.691 0.691 8 2 "[ - + 1]" 1
60 1 24 VAL HB 1 25 LYS QB . . 4.600 4.446 3.590 5.796 1.196 8 2 "[ - + 1]" 1
61 1 24 VAL QG 1 28 TRP H . . 7.400 4.219 3.804 4.921 . 0 0 "[ . 1]" 1
62 1 24 VAL QG 1 25 LYS H . . 7.400 2.760 1.959 3.180 . 0 0 "[ . 1]" 1
63 1 24 VAL QG 1 25 LYS HA . . 7.400 3.211 2.977 3.421 . 0 0 "[ . 1]" 1
64 1 24 VAL QG 1 113 THR MG . . 8.400 2.762 2.191 3.774 . 0 0 "[ . 1]" 1
65 1 24 VAL QG 1 117 ALA HA . . 7.400 4.912 3.247 5.410 . 0 0 "[ . 1]" 1
66 1 24 VAL QG 1 117 ALA MB . . 8.400 4.248 2.960 4.794 . 0 0 "[ . 1]" 1
67 1 25 LYS H 1 25 LYS QG . . 5.000 3.207 2.214 4.073 . 0 0 "[ . 1]" 1
68 1 25 LYS H 1 26 LYS H . . 4.000 2.560 2.396 2.652 . 0 0 "[ . 1]" 1
69 1 25 LYS HA 1 28 TRP HB2 . . 4.000 2.983 1.973 4.848 0.848 9 1 "[ . +1]" 1
70 1 25 LYS HA 1 28 TRP HB3 . . 4.000 4.101 3.221 4.821 0.821 8 3 "[ * .- + 1]" 1
71 1 25 LYS HA 1 28 TRP HE3 . . 5.000 4.183 2.956 5.480 0.480 9 0 "[ . 1]" 1
72 1 25 LYS QB 1 26 LYS H . . 4.000 2.683 2.522 3.055 . 0 0 "[ . 1]" 1
73 1 25 LYS QB 1 26 LYS QG . . 5.000 4.401 3.172 5.412 0.412 4 0 "[ . 1]" 1
74 1 25 LYS QB 1 28 TRP QB . . 7.000 4.444 3.526 5.417 . 0 0 "[ . 1]" 1
75 1 25 LYS QG 1 26 LYS QG . . 6.000 5.586 4.611 6.350 0.350 5 0 "[ . 1]" 1
76 1 26 LYS H 1 26 LYS HB2 . . 4.000 2.535 2.165 3.655 . 0 0 "[ . 1]" 1
77 1 26 LYS H 1 26 LYS HB3 . . 4.000 3.096 2.459 3.610 . 0 0 "[ . 1]" 1
78 1 26 LYS H 1 26 LYS QG . . 5.000 3.084 2.148 3.987 . 0 0 "[ . 1]" 1
79 1 26 LYS H 1 27 ARG H . . 4.000 2.680 2.364 2.859 . 0 0 "[ . 1]" 1
80 1 26 LYS H 1 28 TRP H . . 5.000 4.176 4.021 4.381 . 0 0 "[ . 1]" 1
81 1 26 LYS H 1 29 ASP QB . . 5.000 4.783 4.495 5.382 0.382 6 0 "[ . 1]" 1
82 1 26 LYS HA 1 26 LYS QE . . 6.000 4.223 2.786 4.798 . 0 0 "[ . 1]" 1
83 1 26 LYS HA 1 27 ARG H . . 5.000 3.545 3.517 3.568 . 0 0 "[ . 1]" 1
84 1 26 LYS HA 1 29 ASP H . . 4.000 3.644 2.896 4.195 0.195 9 0 "[ . 1]" 1
85 1 26 LYS HA 1 29 ASP HB2 . . 5.000 3.694 1.964 4.627 . 0 0 "[ . 1]" 1
86 1 26 LYS HA 1 29 ASP HB3 . . 5.000 3.031 2.344 3.620 . 0 0 "[ . 1]" 1
87 1 26 LYS HA 1 30 ALA H . . 5.000 4.010 3.383 4.377 . 0 0 "[ . 1]" 1
88 1 26 LYS QB 1 27 ARG HA . . 4.600 3.992 3.776 4.514 . 0 0 "[ . 1]" 1
89 1 27 ARG H 1 28 TRP H . . 4.000 2.667 2.536 2.828 . 0 0 "[ . 1]" 1
90 1 27 ARG H 1 120 GLU QB . . 5.000 14.785 12.437 16.865 11.865 9 10 [*****-**+*] 1
91 1 27 ARG HA 1 29 ASP QB . . 6.000 5.095 4.678 5.503 . 0 0 "[ . 1]" 1
92 1 27 ARG HA 1 30 ALA H . . 5.000 3.511 3.284 3.924 . 0 0 "[ . 1]" 1
93 1 27 ARG HA 1 120 GLU QB . . 5.000 16.302 13.687 19.004 14.004 9 10 [*****-**+*] 1
94 1 27 ARG QB 1 28 TRP H . . 5.600 2.563 2.357 2.743 . 0 0 "[ . 1]" 1
95 1 27 ARG QB 1 30 ALA MB . . 7.000 4.211 3.646 4.893 . 0 0 "[ . 1]" 1
96 1 27 ARG QG 1 28 TRP H . . 6.000 3.916 3.148 4.490 . 0 0 "[ . 1]" 1
97 1 27 ARG QG 1 30 ALA MB . . 7.000 4.017 3.409 4.564 . 0 0 "[ . 1]" 1
98 1 27 ARG QG 1 120 GLU QB . . 7.000 13.090 10.005 16.445 9.445 9 10 [*****-**+*] 1
99 1 28 TRP H 1 28 TRP HB2 . . 4.000 2.314 2.130 2.475 . 0 0 "[ . 1]" 1
100 1 28 TRP H 1 28 TRP HB3 . . 4.000 3.409 2.840 3.603 . 0 0 "[ . 1]" 1
101 1 28 TRP H 1 29 ASP H . . 4.000 2.669 2.465 2.857 . 0 0 "[ . 1]" 1
102 1 28 TRP H 1 30 ALA H . . 5.000 4.156 3.911 4.233 . 0 0 "[ . 1]" 1
103 1 28 TRP HA 1 28 TRP HE1 . . 5.000 4.731 4.567 4.874 . 0 0 "[ . 1]" 1
104 1 28 TRP HA 1 31 PHE CG . . 7.200 4.472 3.515 5.764 . 0 0 "[ . 1]" 1
105 1 28 TRP HB2 1 29 ASP H . . 5.000 2.824 2.492 3.685 . 0 0 "[ . 1]" 1
106 1 28 TRP HB3 1 29 ASP H . . 5.000 3.216 2.579 3.583 . 0 0 "[ . 1]" 1
107 1 28 TRP HE1 1 32 THR H . . 5.000 9.259 8.104 9.981 4.981 1 10 [+*******-*] 1
108 1 28 TRP HE1 1 32 THR HA . . 5.000 10.856 9.070 12.057 7.057 1 10 [+*******-*] 1
109 1 28 TRP HE1 1 40 THR HA . . 5.000 14.319 12.145 16.772 11.772 7 10 [******+*-*] 1
110 1 28 TRP HE1 1 41 GLU QG . . 6.000 14.358 11.704 16.286 10.286 6 10 [*****+-***] 1
111 1 28 TRP HE1 1 83 PHE HA . . 5.000 8.349 6.455 11.085 6.085 6 10 [-****+****] 1
112 1 28 TRP HE1 1 83 PHE QB . . 6.000 8.425 7.229 10.256 4.256 6 10 [*****+-***] 1
113 1 28 TRP HE1 1 86 THR MG . . 6.000 3.617 2.098 4.904 . 0 0 "[ . 1]" 1
114 1 28 TRP HZ2 1 32 THR MG . . 6.000 9.969 7.269 11.763 5.763 6 10 [*****+**-*] 1
115 1 28 TRP HZ2 1 40 THR HB . . 5.000 17.591 12.510 20.962 15.962 7 10 [******+-**] 1
116 1 28 TRP HZ2 1 41 GLU QG . . 6.000 16.108 13.726 18.334 12.334 6 10 [*****+-***] 1
117 1 28 TRP HZ2 1 83 PHE HA . . 5.000 9.707 7.276 13.065 8.065 6 10 [-****+****] 1
118 1 28 TRP HZ2 1 83 PHE QB . . 6.000 9.540 7.880 11.922 5.922 6 10 [****-+****] 1
119 1 28 TRP HZ2 1 83 PHE CG . . 7.200 11.041 7.352 14.940 7.740 6 9 "[-* **+****]" 1
120 1 28 TRP HE3 1 29 ASP H . . 5.000 5.034 3.864 5.493 0.493 6 0 "[ . 1]" 1
121 1 28 TRP HE3 1 29 ASP HA . . 5.000 5.602 3.297 6.477 1.477 6 8 "[**-*.+** *]" 1
122 1 29 ASP H 1 29 ASP HB2 . . 4.000 2.554 2.487 2.677 . 0 0 "[ . 1]" 1
123 1 29 ASP H 1 29 ASP HB3 . . 4.000 2.611 2.379 3.585 . 0 0 "[ . 1]" 1
124 1 29 ASP H 1 30 ALA H . . 4.000 2.646 2.384 2.795 . 0 0 "[ . 1]" 1
125 1 29 ASP HA 1 30 ALA H . . 4.000 3.533 3.512 3.552 . 0 0 "[ . 1]" 1
126 1 29 ASP HA 1 32 THR H . . 5.000 3.578 3.376 3.859 . 0 0 "[ . 1]" 1
127 1 29 ASP HA 1 32 THR MG . . 6.000 4.129 2.190 4.917 . 0 0 "[ . 1]" 1
128 1 29 ASP HB2 1 30 ALA H . . 4.000 3.719 2.567 3.951 . 0 0 "[ . 1]" 1
129 1 29 ASP HB3 1 30 ALA H . . 4.000 2.651 2.470 3.580 . 0 0 "[ . 1]" 1
130 1 30 ALA H 1 31 PHE H . . 4.000 2.898 2.827 3.001 . 0 0 "[ . 1]" 1
131 1 30 ALA HA 1 31 PHE H . . 4.000 3.562 3.541 3.575 . 0 0 "[ . 1]" 1
132 1 30 ALA HA 1 33 LYS H . . 4.000 3.524 3.098 4.044 0.044 10 0 "[ . 1]" 1
133 1 30 ALA HA 1 33 LYS QG . . 6.000 4.801 3.971 5.323 . 0 0 "[ . 1]" 1
134 1 30 ALA MB 1 31 PHE H . . 6.000 2.427 2.235 2.588 . 0 0 "[ . 1]" 1
135 1 31 PHE H 1 31 PHE HB2 . . 4.000 2.445 2.389 2.532 . 0 0 "[ . 1]" 1
136 1 31 PHE H 1 31 PHE HB3 . . 4.000 3.600 3.584 3.621 . 0 0 "[ . 1]" 1
137 1 31 PHE H 1 32 THR H . . 4.000 2.719 2.561 2.912 . 0 0 "[ . 1]" 1
138 1 31 PHE H 1 34 PHE CG . . 7.200 7.099 6.264 8.439 1.239 7 2 "[ . + -1]" 1
139 1 31 PHE HA 1 32 THR H . . 5.000 3.492 3.422 3.577 . 0 0 "[ . 1]" 1
140 1 31 PHE HA 1 34 PHE H . . 4.000 4.392 3.598 4.893 0.893 7 4 "[ *- + *1]" 1
141 1 31 PHE HA 1 34 PHE QB . . 6.000 4.598 3.064 6.155 0.155 7 0 "[ . 1]" 1
142 1 31 PHE QB 1 49 LYS QG . . 7.000 15.639 14.379 16.839 9.839 8 10 [*****-*+**] 1
143 1 31 PHE CG 1 33 LYS QB . . 8.200 7.527 7.065 7.903 . 0 0 "[ . 1]" 1
144 1 31 PHE CG 1 34 PHE CG . . 9.400 8.594 6.965 9.683 0.283 7 0 "[ . 1]" 1
145 1 31 PHE CG 1 49 LYS QG . . 8.200 16.511 15.310 18.206 10.006 8 10 [*****-*+**] 1
146 1 32 THR H 1 32 THR HB . . 4.000 2.565 2.502 2.632 . 0 0 "[ . 1]" 1
147 1 32 THR H 1 33 LYS H . . 4.000 2.473 2.328 2.638 . 0 0 "[ . 1]" 1
148 1 32 THR H 1 34 PHE H . . 5.000 4.293 3.890 4.848 . 0 0 "[ . 1]" 1
149 1 32 THR HA 1 35 GLY QA . . 5.000 5.219 3.558 7.867 2.867 6 4 "[ * .+* -1]" 1
150 1 32 THR HB 1 33 LYS H . . 4.000 2.747 2.401 4.036 0.036 10 0 "[ . 1]" 1
151 1 32 THR MG 1 33 LYS H . . 6.000 3.421 2.202 3.706 . 0 0 "[ . 1]" 1
152 1 32 THR MG 1 33 LYS HA . . 6.000 3.554 3.334 3.755 . 0 0 "[ . 1]" 1
153 1 32 THR MG 1 33 LYS QG . . 7.000 4.149 2.521 4.998 . 0 0 "[ . 1]" 1
154 1 32 THR MG 1 34 PHE H . . 6.000 5.317 4.312 5.774 . 0 0 "[ . 1]" 1
155 1 32 THR MG 1 35 GLY QA . . 7.000 6.226 4.665 8.298 1.298 6 2 "[ .+- 1]" 1
156 1 32 THR MG 1 38 THR HA . . 6.000 13.126 11.922 15.477 9.477 9 10 [********+-] 1
157 1 32 THR MG 1 39 ALA MB . . 7.000 9.366 7.248 10.664 3.664 5 9 "[* **+****-]" 1
158 1 32 THR MG 1 40 THR HA . . 6.000 12.071 8.946 14.349 8.349 1 10 [+****-****] 1
159 1 32 THR MG 1 41 GLU H . . 6.000 13.476 11.692 15.708 9.708 4 10 [***+*-****] 1
160 1 32 THR MG 1 41 GLU HA . . 6.000 13.132 10.079 15.255 9.255 4 10 [***+**-***] 1
161 1 33 LYS H 1 33 LYS HB2 . . 4.000 2.367 2.225 2.695 . 0 0 "[ . 1]" 1
162 1 33 LYS H 1 33 LYS HB3 . . 4.000 3.100 2.454 3.612 . 0 0 "[ . 1]" 1
163 1 33 LYS H 1 34 PHE QB . . 5.000 4.732 4.497 5.329 0.329 6 0 "[ . 1]" 1
164 1 33 LYS HA 1 34 PHE H . . 5.000 3.560 3.539 3.579 . 0 0 "[ . 1]" 1
165 1 33 LYS QB 1 34 PHE H . . 5.600 2.334 2.023 2.557 . 0 0 "[ . 1]" 1
166 1 33 LYS QB 1 34 PHE CG . . 7.800 4.297 3.534 5.274 . 0 0 "[ . 1]" 1
167 1 33 LYS QB 1 37 ALA HA . . 5.000 9.610 6.149 11.832 6.832 9 10 [**-*****+*] 1
168 1 33 LYS QG 1 34 PHE H . . 6.000 3.990 3.535 4.248 . 0 0 "[ . 1]" 1
169 1 33 LYS QD 1 34 PHE CG . . 8.200 5.446 4.218 7.140 . 0 0 "[ . 1]" 1
170 1 34 PHE H 1 35 GLY H . . 5.000 2.965 2.210 4.486 . 0 0 "[ . 1]" 1
171 1 34 PHE HA 1 35 GLY H . . 4.000 3.197 2.173 3.551 . 0 0 "[ . 1]" 1
172 1 34 PHE CG 1 35 GLY H . . 7.200 4.066 3.208 4.490 . 0 0 "[ . 1]" 1
173 1 35 GLY H 1 36 ALA H . . 4.000 2.708 2.141 3.698 . 0 0 "[ . 1]" 1
174 1 35 GLY HA3 1 36 ALA H . . 4.000 3.006 2.115 3.546 . 0 0 "[ . 1]" 1
175 1 35 GLY HA2 1 36 ALA H . . 4.000 3.172 2.287 3.534 . 0 0 "[ . 1]" 1
176 1 35 GLY QA 1 39 ALA H . . 5.000 7.000 4.715 8.922 3.922 4 9 "[***+* -***]" 1
177 1 36 ALA H 1 37 ALA H . . 4.000 3.738 2.683 4.318 0.318 9 0 "[ . 1]" 1
178 1 36 ALA H 1 39 ALA H . . 4.000 6.164 5.147 8.004 4.004 4 10 [***+*-****] 1
179 1 36 ALA H 1 39 ALA MB . . 6.000 5.637 4.644 6.608 0.608 3 1 "[ + . 1]" 1
180 1 36 ALA HA 1 37 ALA H . . 3.000 2.437 2.149 3.131 0.131 6 0 "[ . 1]" 1
181 1 36 ALA HA 1 37 ALA MB . . 6.000 4.199 3.920 4.762 . 0 0 "[ . 1]" 1
182 1 36 ALA MB 1 37 ALA H . . 5.000 3.225 2.253 3.715 . 0 0 "[ . 1]" 1
183 1 36 ALA MB 1 37 ALA MB . . 7.000 4.388 4.032 4.729 . 0 0 "[ . 1]" 1
184 1 36 ALA MB 1 39 ALA H . . 6.000 3.444 2.539 4.596 . 0 0 "[ . 1]" 1
185 1 36 ALA MB 1 39 ALA MB . . 6.000 2.695 1.693 4.212 . 0 0 "[ . 1]" 1
186 1 37 ALA H 1 38 THR H . . 4.000 2.443 1.973 2.994 . 0 0 "[ . 1]" 1
187 1 37 ALA HA 1 38 THR H . . 4.000 3.510 3.324 3.564 . 0 0 "[ . 1]" 1
188 1 37 ALA MB 1 38 THR H . . 5.000 2.476 1.973 3.158 . 0 0 "[ . 1]" 1
189 1 37 ALA MB 1 38 THR MG . . 7.000 3.826 2.733 4.814 . 0 0 "[ . 1]" 1
190 1 38 THR H 1 39 ALA H . . 3.000 2.699 1.899 3.528 0.528 1 1 "[+ . 1]" 1
191 1 38 THR H 1 39 ALA MB . . 6.000 3.886 3.137 4.435 . 0 0 "[ . 1]" 1
192 1 38 THR HA 1 39 ALA H . . 4.000 3.084 2.224 3.523 . 0 0 "[ . 1]" 1
193 1 38 THR MG 1 39 ALA H . . 6.000 3.591 2.139 4.262 . 0 0 "[ . 1]" 1
194 1 39 ALA HA 1 40 THR H . . 3.000 2.330 2.145 2.720 . 0 0 "[ . 1]" 1
195 1 39 ALA HA 1 41 GLU H . . 4.000 3.580 2.960 4.288 0.288 1 0 "[ . 1]" 1
196 1 39 ALA MB 1 40 THR H . . 6.000 3.437 2.944 3.710 . 0 0 "[ . 1]" 1
197 1 39 ALA MB 1 41 GLU H . . 5.000 4.135 2.831 5.056 0.056 1 0 "[ . 1]" 1
198 1 39 ALA MB 1 41 GLU HA . . 5.000 5.505 3.920 6.346 1.346 6 5 "[- *+ **1]" 1
199 1 40 THR H 1 41 GLU H . . 3.000 2.399 1.789 2.841 . 0 0 "[ . 1]" 1
200 1 40 THR H 1 82 THR HB . . 4.000 9.457 5.978 11.794 7.794 5 10 [****+**-**] 1
201 1 40 THR HA 1 41 GLU H . . 4.000 3.295 2.511 3.568 . 0 0 "[ . 1]" 1
202 1 40 THR HB 1 82 THR HA . . 5.000 7.832 4.633 10.768 5.768 10 9 "[*-***** *+]" 1
203 1 40 THR HB 1 82 THR HB . . 5.000 8.993 5.541 11.585 6.585 10 10 [*******-*+] 1
204 1 41 GLU H 1 41 GLU HB2 . . 4.000 3.125 2.138 4.046 0.046 2 0 "[ . 1]" 1
205 1 41 GLU H 1 41 GLU HB3 . . 4.000 3.168 2.549 3.870 . 0 0 "[ . 1]" 1
206 1 41 GLU H 1 42 MET H . . 4.000 4.278 4.047 4.571 0.571 1 1 "[+ . 1]" 1
207 1 41 GLU HA 1 42 MET H . . 4.000 2.276 2.122 2.863 . 0 0 "[ . 1]" 1
208 1 41 GLU QB 1 42 MET H . . 4.600 3.263 2.270 3.990 . 0 0 "[ . 1]" 1
209 1 41 GLU QB 1 80 LYS QB . . 7.000 3.870 2.602 5.923 . 0 0 "[ . 1]" 1
210 1 41 GLU QB 1 80 LYS QE . . 7.000 3.358 1.878 4.898 . 0 0 "[ . 1]" 1
211 1 41 GLU QB 1 81 ALA H . . 6.000 5.672 3.391 8.060 2.060 3 4 "[ + -* *]" 1
212 1 41 GLU QG 1 42 MET H . . 6.000 3.571 1.961 4.451 . 0 0 "[ . 1]" 1
213 1 41 GLU QG 1 81 ALA H . . 6.000 5.722 2.844 7.443 1.443 3 3 "[* + .- 1]" 1
214 1 41 GLU QG 1 81 ALA MB . . 7.000 6.775 4.330 8.578 1.578 3 3 "[* + .- 1]" 1
215 1 41 GLU QG 1 82 THR H . . 6.000 7.421 3.575 10.013 4.013 1 8 "[+-**** **]" 1
216 1 41 GLU QG 1 82 THR HA . . 5.000 6.877 3.263 9.026 4.026 10 9 "[*-**** **+]" 1
217 1 41 GLU QG 1 82 THR HB . . 5.000 7.878 4.220 10.691 5.691 6 8 "[***-*+ **]" 1
218 1 41 GLU QG 1 82 THR MG . . 6.000 7.228 4.028 9.357 3.357 1 6 "[+-* ** *]" 1
219 1 41 GLU QG 1 86 THR MG . . 6.000 9.336 6.333 10.550 4.550 4 9 "[*-*+** ***]" 1
220 1 42 MET H 1 80 LYS QG . . 6.000 3.890 2.247 5.379 . 0 0 "[ . 1]" 1
221 1 42 MET H 1 81 ALA H . . 4.000 4.351 3.000 5.112 1.112 1 6 "[+** -** 1]" 1
222 1 42 MET H 1 81 ALA MB . . 6.000 5.278 2.959 6.942 0.942 1 2 "[+ .- 1]" 1
223 1 42 MET H 1 82 THR HA . . 4.000 5.686 3.242 7.689 3.689 10 9 "[**-**** *+]" 1
224 1 42 MET HA 1 43 THR H . . 3.000 2.200 2.124 2.286 . 0 0 "[ . 1]" 1
225 1 42 MET QB 1 45 LYS HA . . 5.000 8.802 7.458 9.425 4.425 10 10 [-********+] 1
226 1 42 MET QB 1 81 ALA H . . 6.000 4.368 1.789 6.202 0.202 2 0 "[ . 1]" 1
227 1 42 MET QG 1 43 THR H . . 6.000 3.476 2.380 4.388 . 0 0 "[ . 1]" 1
228 1 42 MET QG 1 45 LYS H . . 6.000 6.861 5.409 8.781 2.781 9 4 "[* * . +-]" 1
229 1 42 MET QG 1 45 LYS QG . . 7.000 8.416 6.632 10.776 3.776 3 8 "[**+ -** **]" 1
230 1 43 THR H 1 46 ASN QB . . 5.000 3.241 2.743 3.997 . 0 0 "[ . 1]" 1
231 1 43 THR HA 1 46 ASN H . . 5.000 4.764 4.361 5.013 0.013 10 0 "[ . 1]" 1
232 1 43 THR HA 1 46 ASN QB . . 6.000 4.817 4.147 5.219 . 0 0 "[ . 1]" 1
233 1 43 THR HB 1 44 GLY H . . 3.000 3.052 2.447 3.576 0.576 6 2 "[- .+ 1]" 1
234 1 43 THR HB 1 45 LYS H . . 4.000 3.027 2.675 3.574 . 0 0 "[ . 1]" 1
235 1 43 THR MG 1 44 GLY H . . 6.000 3.336 2.151 3.800 . 0 0 "[ . 1]" 1
236 1 43 THR MG 1 45 LYS H . . 6.000 4.055 2.270 4.695 . 0 0 "[ . 1]" 1
237 1 44 GLY H 1 45 LYS H . . 4.000 2.822 2.586 2.970 . 0 0 "[ . 1]" 1
238 1 44 GLY H 1 45 LYS QG . . 6.000 6.236 4.515 6.562 0.562 2 2 "[ + . -]" 1
239 1 44 GLY QA 1 45 LYS H . . 5.600 2.724 2.592 2.859 . 0 0 "[ . 1]" 1
240 1 44 GLY QA 1 47 PHE QB . . 6.000 2.613 2.207 2.987 . 0 0 "[ . 1]" 1
241 1 44 GLY QA 1 48 ASP H . . 6.000 3.643 3.489 3.875 . 0 0 "[ . 1]" 1
242 1 44 GLY QA 1 71 PHE QB . . 6.000 6.266 5.148 7.410 1.410 3 4 "[ + - ** 1]" 1
243 1 45 LYS H 1 45 LYS HB2 . . 4.000 2.517 2.356 2.694 . 0 0 "[ . 1]" 1
244 1 45 LYS H 1 45 LYS HB3 . . 4.000 2.643 2.409 3.582 . 0 0 "[ . 1]" 1
245 1 45 LYS H 1 45 LYS QD . . 6.000 4.621 4.219 4.820 . 0 0 "[ . 1]" 1
246 1 45 LYS H 1 46 ASN H . . 4.000 2.699 2.460 2.893 . 0 0 "[ . 1]" 1
247 1 45 LYS H 1 47 PHE H . . 5.000 4.055 3.892 4.288 . 0 0 "[ . 1]" 1
248 1 45 LYS H 1 48 ASP QB . . 6.000 4.644 4.207 4.980 . 0 0 "[ . 1]" 1
249 1 45 LYS HA 1 46 ASN H . . 5.000 3.527 3.430 3.567 . 0 0 "[ . 1]" 1
250 1 45 LYS HA 1 48 ASP H . . 5.000 3.540 3.096 3.878 . 0 0 "[ . 1]" 1
251 1 45 LYS HA 1 48 ASP HB2 . . 5.000 3.365 2.464 4.216 . 0 0 "[ . 1]" 1
252 1 45 LYS HA 1 48 ASP HB3 . . 5.000 2.953 1.792 4.122 . 0 0 "[ . 1]" 1
253 1 45 LYS HA 1 49 LYS H . . 5.000 4.362 3.804 4.623 . 0 0 "[ . 1]" 1
254 1 45 LYS QB 1 46 ASN H . . 5.600 2.556 2.203 3.027 . 0 0 "[ . 1]" 1
255 1 45 LYS QG 1 46 ASN H . . 6.000 3.721 3.136 4.361 . 0 0 "[ . 1]" 1
256 1 45 LYS QD 1 46 ASN H . . 6.000 4.818 3.744 5.508 . 0 0 "[ . 1]" 1
257 1 46 ASN H 1 47 PHE H . . 4.000 2.538 2.422 2.688 . 0 0 "[ . 1]" 1
258 1 46 ASN H 1 48 ASP H . . 4.000 4.058 3.735 4.364 0.364 7 0 "[ . 1]" 1
259 1 46 ASN H 1 48 ASP QB . . 6.000 4.731 4.247 5.137 . 0 0 "[ . 1]" 1
260 1 46 ASN HA 1 49 LYS H . . 4.000 3.430 3.196 3.592 . 0 0 "[ . 1]" 1
261 1 46 ASN QB 1 71 PHE QB . . 5.000 10.911 9.591 11.963 6.963 8 10 [*******+-*] 1
262 1 46 ASN QB 1 71 PHE CZ . . 8.200 9.884 7.746 11.395 3.195 5 9 "[***-+*** *]" 1
263 1 46 ASN QD 1 71 PHE QB . . 7.000 12.580 11.211 14.124 7.124 3 10 [**+******-] 1
264 1 46 ASN QD 1 86 THR H . . 6.000 12.382 11.049 14.136 8.136 1 10 [+***-*****] 1
265 1 46 ASN QD 1 86 THR MG . . 7.000 9.187 7.826 10.326 3.326 10 10 [*****-***+] 1
266 1 47 PHE H 1 47 PHE HB2 . . 4.000 2.440 2.321 2.550 . 0 0 "[ . 1]" 1
267 1 47 PHE H 1 47 PHE HB3 . . 4.000 2.636 2.466 2.767 . 0 0 "[ . 1]" 1
268 1 47 PHE H 1 48 ASP H . . 5.000 2.591 2.359 2.772 . 0 0 "[ . 1]" 1
269 1 47 PHE H 1 71 PHE QB . . 5.000 9.623 8.161 10.789 5.789 3 10 [**+******-] 1
270 1 47 PHE QB 1 71 PHE QB . . 4.500 7.201 5.734 8.435 3.935 3 10 [**+******-] 1
271 1 47 PHE QB 1 71 PHE CG . . 8.200 7.130 5.602 8.318 0.118 5 0 "[ . 1]" 1
272 1 47 PHE QB 1 89 VAL QG . . 8.400 4.441 3.896 4.890 . 0 0 "[ . 1]" 1
273 1 47 PHE CG 1 48 ASP H . . 7.200 4.146 3.911 4.313 . 0 0 "[ . 1]" 1
274 1 47 PHE CG 1 48 ASP HA . . 7.200 4.935 4.648 5.192 . 0 0 "[ . 1]" 1
275 1 47 PHE CG 1 50 TRP HZ3 . . 7.200 10.338 9.907 10.989 3.789 6 10 [-****+****] 1
276 1 47 PHE CG 1 51 LEU QD . . 9.600 3.202 2.939 3.907 . 0 0 "[ . 1]" 1
277 1 47 PHE CG 1 71 PHE QB . . 8.200 8.192 6.359 9.472 1.272 3 3 "[ + * - 1]" 1
278 1 47 PHE CG 1 71 PHE CG . . 9.400 8.155 6.502 10.060 0.660 5 1 "[ + 1]" 1
279 1 47 PHE CG 1 89 VAL HB . . 7.200 6.041 5.170 7.012 . 0 0 "[ . 1]" 1
280 1 47 PHE CG 1 89 VAL QG . . 9.600 3.980 3.604 4.337 . 0 0 "[ . 1]" 1
281 1 47 PHE CZ 1 74 VAL QG . . 9.600 5.005 4.258 5.570 . 0 0 "[ . 1]" 1
282 1 48 ASP H 1 48 ASP HB2 . . 4.000 2.537 2.300 2.661 . 0 0 "[ . 1]" 1
283 1 48 ASP H 1 48 ASP HB3 . . 4.000 2.657 2.365 3.581 . 0 0 "[ . 1]" 1
284 1 48 ASP H 1 49 LYS H . . 4.000 2.672 2.564 2.804 . 0 0 "[ . 1]" 1
285 1 48 ASP H 1 50 TRP H . . 4.000 4.333 4.215 4.481 0.481 6 0 "[ . 1]" 1
286 1 48 ASP HA 1 49 LYS H . . 5.000 3.483 3.416 3.528 . 0 0 "[ . 1]" 1
287 1 48 ASP HA 1 51 LEU H . . 5.000 3.544 3.158 3.867 . 0 0 "[ . 1]" 1
288 1 48 ASP HA 1 57 LEU QD . . 7.400 2.640 2.060 3.642 . 0 0 "[ . 1]" 1
289 1 48 ASP HB2 1 49 LYS H . . 4.000 3.792 2.760 4.125 0.125 9 0 "[ . 1]" 1
290 1 48 ASP HB3 1 49 LYS H . . 4.000 2.952 2.687 3.799 . 0 0 "[ . 1]" 1
291 1 48 ASP QB 1 57 LEU QD . . 8.400 3.483 2.872 4.320 . 0 0 "[ . 1]" 1
292 1 49 LYS H 1 50 TRP H . . 4.000 2.479 2.364 2.627 . 0 0 "[ . 1]" 1
293 1 49 LYS H 1 50 TRP QB . . 5.600 4.065 3.883 4.245 . 0 0 "[ . 1]" 1
294 1 49 LYS H 1 52 LYS H . . 5.000 4.494 4.350 4.635 . 0 0 "[ . 1]" 1
295 1 49 LYS HA 1 51 LEU H . . 5.000 4.098 3.870 4.276 . 0 0 "[ . 1]" 1
296 1 49 LYS QB 1 52 LYS H . . 6.000 4.882 4.522 5.098 . 0 0 "[ . 1]" 1
297 1 49 LYS QG 1 52 LYS QB . . 7.000 4.302 3.544 5.388 . 0 0 "[ . 1]" 1
298 1 50 TRP H 1 50 TRP HB2 . . 4.000 2.652 2.476 2.760 . 0 0 "[ . 1]" 1
299 1 50 TRP H 1 50 TRP HB3 . . 4.000 2.340 2.240 2.486 . 0 0 "[ . 1]" 1
300 1 50 TRP H 1 51 LEU H . . 4.000 2.729 2.638 2.832 . 0 0 "[ . 1]" 1
301 1 50 TRP HA 1 50 TRP HE3 . . 5.000 2.700 2.158 2.881 . 0 0 "[ . 1]" 1
302 1 50 TRP HA 1 53 ASP QB . . 6.000 3.384 2.928 4.138 . 0 0 "[ . 1]" 1
303 1 50 TRP HA 1 116 LEU QD . . 7.400 6.402 5.140 7.832 0.432 5 0 "[ . 1]" 1
304 1 50 TRP HB2 1 51 LEU H . . 5.000 4.051 3.996 4.145 . 0 0 "[ . 1]" 1
305 1 50 TRP HB3 1 51 LEU H . . 5.000 2.778 2.665 2.909 . 0 0 "[ . 1]" 1
306 1 50 TRP HB2 1 51 LEU QD . . 7.400 4.424 4.054 5.339 . 0 0 "[ . 1]" 1
307 1 50 TRP HB3 1 51 LEU QD . . 7.400 3.181 2.714 4.335 . 0 0 "[ . 1]" 1
308 1 50 TRP HE1 1 90 LEU HA . . 5.000 7.059 6.066 8.188 3.188 8 10 [-******+**] 1
309 1 50 TRP HE1 1 90 LEU QD . . 7.400 3.224 2.516 3.951 . 0 0 "[ . 1]" 1
310 1 50 TRP HE1 1 108 GLU QB . . 6.000 12.710 11.120 13.694 7.694 6 10 [*****+-***] 1
311 1 50 TRP HE1 1 112 ILE MD . . 6.000 7.659 5.920 9.251 3.251 6 8 "[ **-*+ ***]" 1
312 1 50 TRP HZ2 1 51 LEU QD . . 7.400 5.152 4.789 5.440 . 0 0 "[ . 1]" 1
313 1 50 TRP HZ2 1 62 ILE MG . . 6.000 13.600 12.232 15.248 9.248 3 10 [**+-******] 1
314 1 50 TRP HZ2 1 62 ILE MD . . 6.000 12.501 11.410 14.635 8.635 3 10 [**+*****-*] 1
315 1 50 TRP HZ2 1 90 LEU QD . . 7.400 4.675 3.883 5.434 . 0 0 "[ . 1]" 1
316 1 50 TRP HZ2 1 108 GLU QG . . 6.000 13.761 10.872 16.681 10.681 8 10 [-******+**] 1
317 1 50 TRP HZ2 1 112 ILE QG . . 6.000 9.382 7.554 10.875 4.875 6 10 [*****+-***] 1
318 1 50 TRP HZ2 1 112 ILE MD . . 6.000 8.339 6.726 9.901 3.901 6 10 [-****+****] 1
319 1 50 TRP HE3 1 51 LEU HA . . 5.000 6.310 5.689 6.863 1.863 3 10 [**+******-] 1
320 1 50 TRP HE3 1 89 VAL QG . . 7.400 9.210 8.600 9.918 2.518 6 10 [***-*+****] 1
321 1 50 TRP HZ3 1 90 LEU QD . . 7.400 7.512 6.729 8.309 0.909 8 2 "[ .- + 1]" 1
322 1 51 LEU H 1 52 LYS H . . 5.000 2.485 2.288 2.593 . 0 0 "[ . 1]" 1
323 1 51 LEU HA 1 54 ALA MB . . 6.000 2.852 2.442 3.356 . 0 0 "[ . 1]" 1
324 1 51 LEU HA 1 112 ILE QG . . 6.000 8.347 7.216 9.834 3.834 6 10 [-****+****] 1
325 1 51 LEU HA 1 116 LEU QB . . 5.000 8.865 7.589 10.325 5.325 5 10 [****+-****] 1
326 1 51 LEU HA 1 116 LEU QD . . 7.400 5.513 4.451 6.628 . 0 0 "[ . 1]" 1
327 1 51 LEU QB 1 57 LEU H . . 5.000 3.213 2.841 4.060 . 0 0 "[ . 1]" 1
328 1 51 LEU QB 1 57 LEU QB . . 7.000 1.570 1.324 1.789 . 0 0 "[ . 1]" 1
329 1 51 LEU QB 1 57 LEU HG . . 6.000 4.083 3.688 4.291 . 0 0 "[ . 1]" 1
330 1 51 LEU QB 1 57 LEU QD . . 8.400 2.288 2.109 2.429 . 0 0 "[ . 1]" 1
331 1 51 LEU QB 1 62 ILE QG . . 5.000 6.838 5.695 8.197 3.197 9 10 [*****-**+*] 1
332 1 51 LEU HG 1 62 ILE QG . . 6.000 7.948 7.013 9.622 3.622 5 10 [****+**-**] 1
333 1 51 LEU QD 1 56 VAL QG . . 9.800 2.408 2.196 2.750 . 0 0 "[ . 1]" 1
334 1 51 LEU QD 1 57 LEU QB . . 8.400 2.384 1.784 3.032 . 0 0 "[ . 1]" 1
335 1 51 LEU QD 1 57 LEU QD . . 9.800 2.888 1.826 3.407 . 0 0 "[ . 1]" 1
336 1 51 LEU QD 1 62 ILE MG . . 8.400 5.656 4.809 6.637 . 0 0 "[ . 1]" 1
337 1 51 LEU QD 1 62 ILE MD . . 8.400 5.168 4.336 6.489 . 0 0 "[ . 1]" 1
338 1 51 LEU QD 1 67 THR MG . . 8.400 6.015 4.823 8.075 . 0 0 "[ . 1]" 1
339 1 51 LEU QD 1 112 ILE MG . . 8.400 4.457 3.957 4.795 . 0 0 "[ . 1]" 1
340 1 51 LEU QD 1 119 LEU QD . . 9.800 6.812 5.876 7.602 . 0 0 "[ . 1]" 1
341 1 51 LEU QD 1 54 ALA MB . . 8.400 3.164 2.455 3.876 . 0 0 "[ . 1]" 1
342 1 51 LEU QD 1 116 LEU QD . . 9.800 4.501 3.601 5.187 . 0 0 "[ . 1]" 1
343 1 52 LYS H 1 57 LEU QD . . 7.400 3.363 2.888 3.931 . 0 0 "[ . 1]" 1
344 1 52 LYS HA 1 56 VAL H . . 4.000 4.147 3.544 4.989 0.989 5 1 "[ + 1]" 1
345 1 52 LYS HA 1 57 LEU H . . 4.000 3.183 2.463 3.708 . 0 0 "[ . 1]" 1
346 1 52 LYS QB 1 56 VAL QG . . 8.400 6.224 5.759 6.566 . 0 0 "[ . 1]" 1
347 1 52 LYS QB 1 57 LEU QD . . 8.400 2.825 1.791 4.128 . 0 0 "[ . 1]" 1
348 1 52 LYS QE 1 57 LEU QD . . 8.400 4.462 2.481 6.142 . 0 0 "[ . 1]" 1
349 1 53 ASP H 1 54 ALA H . . 4.000 2.555 2.402 2.691 . 0 0 "[ . 1]" 1
350 1 53 ASP HA 1 54 ALA H . . 5.000 3.492 3.447 3.548 . 0 0 "[ . 1]" 1
351 1 53 ASP QB 1 54 ALA H . . 4.000 2.785 2.389 3.007 . 0 0 "[ . 1]" 1
352 1 53 ASP QB 1 119 LEU QD . . 7.400 5.863 3.768 7.287 . 0 0 "[ . 1]" 1
353 1 54 ALA H 1 55 GLY H . . 4.000 2.552 2.458 2.669 . 0 0 "[ . 1]" 1
354 1 54 ALA H 1 116 LEU H . . 4.000 10.104 8.870 11.707 7.707 9 10 [*******-+*] 1
355 1 54 ALA HA 1 55 GLY H . . 4.000 3.493 3.475 3.522 . 0 0 "[ . 1]" 1
356 1 54 ALA HA 1 115 LYS H . . 5.000 9.904 8.154 11.750 6.750 6 10 [*****+*-**] 1
357 1 54 ALA HA 1 116 LEU QB . . 6.000 6.438 5.196 7.688 1.688 5 4 "[ -+ * *1]" 1
358 1 54 ALA HA 1 119 LEU QB . . 6.000 5.900 3.669 7.776 1.776 9 3 "[ -* +1]" 1
359 1 54 ALA HA 1 119 LEU QD . . 6.000 3.806 2.639 5.245 . 0 0 "[ . 1]" 1
360 1 54 ALA MB 1 55 GLY H . . 6.000 2.744 2.646 2.798 . 0 0 "[ . 1]" 1
361 1 54 ALA MB 1 56 VAL H . . 6.000 2.738 2.453 3.165 . 0 0 "[ . 1]" 1
362 1 54 ALA MB 1 112 ILE QG . . 7.000 5.935 4.901 7.520 0.520 6 1 "[ .+ 1]" 1
363 1 54 ALA MB 1 112 ILE MD . . 7.000 5.702 4.887 7.189 0.189 6 0 "[ . 1]" 1
364 1 54 ALA MB 1 116 LEU HA . . 6.000 5.469 4.212 6.996 0.996 5 2 "[ + -1]" 1
365 1 54 ALA MB 1 116 LEU MD1 . . 7.000 3.494 2.099 4.585 . 0 0 "[ . 1]" 1
366 1 54 ALA MB 1 116 LEU MD2 . . 7.000 2.601 1.611 3.734 . 0 0 "[ . 1]" 1
367 1 54 ALA MB 1 119 LEU QD . . 8.400 4.146 3.194 5.209 . 0 0 "[ . 1]" 1
368 1 55 GLY H 1 56 VAL H . . 4.000 2.254 2.003 2.415 . 0 0 "[ . 1]" 1
369 1 55 GLY H 1 56 VAL HA . . 4.000 4.946 4.749 5.082 1.082 9 10 [********+-] 1
370 1 55 GLY H 1 56 VAL QG . . 7.400 3.688 3.473 3.836 . 0 0 "[ . 1]" 1
371 1 55 GLY H 1 116 LEU HA . . 5.000 9.039 7.975 10.639 5.639 9 10 [**-*****+*] 1
372 1 55 GLY QA 1 56 VAL H . . 4.600 2.869 2.707 2.916 . 0 0 "[ . 1]" 1
373 1 55 GLY QA 1 56 VAL HA . . 4.600 4.039 3.986 4.070 . 0 0 "[ . 1]" 1
374 1 55 GLY QA 1 56 VAL QG . . 8.000 3.733 3.533 3.805 . 0 0 "[ . 1]" 1
375 1 56 VAL H 1 56 VAL HB . . 3.000 2.618 2.581 2.786 . 0 0 "[ . 1]" 1
376 1 56 VAL H 1 57 LEU H . . 3.000 2.235 1.872 2.448 . 0 0 "[ . 1]" 1
377 1 56 VAL H 1 57 LEU QB . . 4.600 4.138 3.477 4.472 . 0 0 "[ . 1]" 1
378 1 56 VAL HB 1 57 LEU H . . 4.000 2.733 2.315 3.510 . 0 0 "[ . 1]" 1
379 1 56 VAL QG 1 57 LEU H . . 7.400 3.297 3.093 3.618 . 0 0 "[ . 1]" 1
380 1 56 VAL QG 1 57 LEU QB . . 8.000 3.764 3.352 4.320 . 0 0 "[ . 1]" 1
381 1 56 VAL QG 1 57 LEU HG . . 7.400 5.682 4.983 6.258 . 0 0 "[ . 1]" 1
382 1 57 LEU HA 1 58 ASP H . . 3.000 2.499 2.149 3.523 0.523 9 1 "[ . +1]" 1
383 1 57 LEU HA 1 58 ASP QB . . 4.600 4.386 4.089 4.867 0.267 9 0 "[ . 1]" 1
384 1 57 LEU HA 1 62 ILE HB . . 4.000 4.758 3.901 5.076 1.076 3 8 "[ *+-*****1]" 1
385 1 57 LEU QB 1 59 ASN H . . 6.000 5.279 4.610 6.447 0.447 7 0 "[ . 1]" 1
386 1 57 LEU QB 1 61 ALA H . . 5.000 8.687 8.050 9.627 4.627 4 10 [-**+******] 1
387 1 57 LEU QB 1 61 ALA MB . . 7.000 8.320 7.226 9.365 2.365 5 8 "[****+ * *-]" 1
388 1 57 LEU QB 1 62 ILE H . . 5.000 7.618 7.161 8.026 3.026 2 10 [*+*****-**] 1
389 1 57 LEU QB 1 62 ILE HB . . 6.000 5.971 5.697 6.294 0.294 2 0 "[ . 1]" 1
390 1 57 LEU QB 1 62 ILE QG . . 5.000 5.085 3.958 6.693 1.693 2 4 "[-+ * *1]" 1
391 1 57 LEU QB 1 62 ILE MG . . 7.000 4.754 3.945 5.594 . 0 0 "[ . 1]" 1
392 1 57 LEU QD 1 58 ASP H . . 7.400 3.421 2.577 4.498 . 0 0 "[ . 1]" 1
393 1 57 LEU QD 1 58 ASP HA . . 7.400 4.370 3.831 4.904 . 0 0 "[ . 1]" 1
394 1 57 LEU QD 1 58 ASP QB . . 8.000 3.923 2.204 4.907 . 0 0 "[ . 1]" 1
395 1 57 LEU QD 1 59 ASN H . . 7.400 4.469 2.709 5.624 . 0 0 "[ . 1]" 1
396 1 57 LEU QD 1 62 ILE QG . . 8.400 4.117 2.419 5.575 . 0 0 "[ . 1]" 1
397 1 57 LEU QD 1 63 THR HA . . 7.400 7.092 6.242 8.147 0.747 3 2 "[ + - 1]" 1
398 1 57 LEU QD 1 64 GLY H . . 7.400 7.271 6.225 8.399 0.999 3 2 "[ + .- 1]" 1
399 1 57 LEU QD 1 64 GLY QA . . 8.400 5.609 4.510 6.660 . 0 0 "[ . 1]" 1
400 1 57 LEU QD 1 67 THR HB . . 7.400 3.278 2.252 3.948 . 0 0 "[ . 1]" 1
401 1 57 LEU QD 1 67 THR MG . . 8.400 3.260 2.267 4.412 . 0 0 "[ . 1]" 1
402 1 58 ASP H 1 58 ASP HB2 . . 4.000 2.967 2.494 3.596 . 0 0 "[ . 1]" 1
403 1 58 ASP H 1 58 ASP HB3 . . 4.000 2.861 2.373 3.696 . 0 0 "[ . 1]" 1
404 1 58 ASP H 1 59 ASN H . . 3.000 2.950 2.406 3.863 0.863 5 2 "[ + - 1]" 1
405 1 58 ASP H 1 59 ASN QD . . 6.000 6.237 4.082 7.225 1.225 10 5 "[ * **- +]" 1
406 1 58 ASP H 1 62 ILE HB . . 5.000 3.746 2.860 4.674 . 0 0 "[ . 1]" 1
407 1 58 ASP HA 1 59 ASN H . . 4.000 3.007 2.090 3.559 . 0 0 "[ . 1]" 1
408 1 58 ASP QB 1 60 LYS QG . . 7.000 6.324 4.219 8.634 1.634 6 3 "[ -.+* 1]" 1
409 1 59 ASN H 1 60 LYS H . . 3.000 2.666 2.018 3.481 0.481 10 0 "[ . 1]" 1
410 1 59 ASN H 1 62 ILE H . . 4.000 3.564 2.615 4.980 0.980 9 2 "[ - +1]" 1
411 1 59 ASN H 1 63 THR HA . . 4.000 7.592 5.998 9.344 5.344 5 10 [*-**+*****] 1
412 1 59 ASN H 1 63 THR MG . . 6.000 7.702 6.131 9.018 3.018 5 8 "[* **+- ***]" 1
413 1 59 ASN HA 1 61 ALA H . . 5.000 5.070 4.269 6.257 1.257 5 2 "[ + - 1]" 1
414 1 59 ASN HA 1 63 THR HA . . 4.000 8.290 4.060 11.496 7.496 5 9 "[* **+****-]" 1
415 1 59 ASN HA 1 63 THR HB . . 4.000 10.245 6.590 13.312 9.312 5 10 [*-**+*****] 1
416 1 59 ASN HA 1 63 THR MG . . 6.000 8.303 4.726 10.957 4.957 5 9 "[* **+****-]" 1
417 1 59 ASN QD 1 63 THR MG . . 7.000 9.031 6.061 11.481 4.481 5 9 "[- **+*****]" 1
418 1 59 ASN QD 1 64 GLY QA . . 6.000 9.098 4.075 12.762 6.762 6 7 "[ ***+*-*1]" 1
419 1 59 ASN QD 1 65 THR H . . 5.000 11.743 7.224 15.045 10.045 5 10 [-***+*****] 1
420 1 60 LYS H 1 60 LYS HB2 . . 4.000 3.048 2.246 4.111 0.111 4 0 "[ . 1]" 1
421 1 60 LYS H 1 60 LYS HB3 . . 4.000 3.343 2.554 4.131 0.131 9 0 "[ . 1]" 1
422 1 60 LYS H 1 60 LYS HG2 . . 5.000 4.150 2.992 4.829 . 0 0 "[ . 1]" 1
423 1 60 LYS H 1 60 LYS HG3 . . 5.000 4.019 2.559 4.874 . 0 0 "[ . 1]" 1
424 1 60 LYS H 1 61 ALA H . . 3.000 2.579 1.971 3.554 0.554 6 1 "[ .+ 1]" 1
425 1 60 LYS H 1 61 ALA MB . . 6.000 4.371 3.871 5.182 . 0 0 "[ . 1]" 1
426 1 60 LYS H 1 62 ILE H . . 4.000 3.032 2.147 3.587 . 0 0 "[ . 1]" 1
427 1 60 LYS H 1 63 THR MG . . 6.000 7.416 5.558 9.138 3.138 3 7 "[* +-* ***]" 1
428 1 60 LYS HA 1 60 LYS QE . . 6.000 4.782 4.066 5.453 . 0 0 "[ . 1]" 1
429 1 60 LYS HA 1 61 ALA H . . 4.000 3.541 3.514 3.561 . 0 0 "[ . 1]" 1
430 1 60 LYS HB2 1 61 ALA H . . 4.000 3.065 1.942 3.606 . 0 0 "[ . 1]" 1
431 1 60 LYS HB3 1 61 ALA H . . 4.000 2.748 2.081 3.702 . 0 0 "[ . 1]" 1
432 1 61 ALA H 1 62 ILE H . . 3.000 2.531 1.781 3.274 0.274 5 0 "[ . 1]" 1
433 1 61 ALA HA 1 62 ILE H . . 4.000 3.235 2.454 3.511 . 0 0 "[ . 1]" 1
434 1 61 ALA MB 1 62 ILE H . . 6.000 3.181 2.624 3.710 . 0 0 "[ . 1]" 1
435 1 62 ILE H 1 62 ILE HB . . 4.000 2.498 2.331 2.653 . 0 0 "[ . 1]" 1
436 1 62 ILE H 1 63 THR MG . . 6.000 5.306 3.995 6.647 0.647 8 2 "[ - . + 1]" 1
437 1 62 ILE HA 1 63 THR H . . 3.000 2.164 2.054 2.475 . 0 0 "[ . 1]" 1
438 1 62 ILE HA 1 63 THR MG . . 6.000 4.171 3.362 5.245 . 0 0 "[ . 1]" 1
439 1 62 ILE QG 1 63 THR H . . 6.000 4.203 1.776 4.749 . 0 0 "[ . 1]" 1
440 1 62 ILE MG 1 63 THR H . . 6.000 2.781 2.407 3.237 . 0 0 "[ . 1]" 1
441 1 62 ILE MG 1 66 MET QB . . 7.000 3.761 1.937 4.947 . 0 0 "[ . 1]" 1
442 1 62 ILE MG 1 67 THR H . . 6.000 3.794 2.562 4.559 . 0 0 "[ . 1]" 1
443 1 62 ILE MG 1 67 THR MG . . 7.000 2.236 1.787 2.869 . 0 0 "[ . 1]" 1
444 1 62 ILE MD 1 63 THR H . . 6.000 3.969 3.325 5.238 . 0 0 "[ . 1]" 1
445 1 63 THR H 1 66 MET H . . 4.000 4.441 3.431 5.121 1.121 10 6 "[* *** - +]" 1
446 1 63 THR H 1 66 MET QB . . 5.000 3.559 2.789 4.389 . 0 0 "[ . 1]" 1
447 1 63 THR HA 1 64 GLY H . . 4.000 2.360 2.133 2.957 . 0 0 "[ . 1]" 1
448 1 63 THR HA 1 67 THR MG . . 6.000 4.486 3.716 4.906 . 0 0 "[ . 1]" 1
449 1 63 THR HB 1 64 GLY H . . 4.000 2.933 1.751 4.083 0.083 10 0 "[ . 1]" 1
450 1 63 THR HB 1 65 THR H . . 3.000 2.881 2.003 3.509 0.509 8 2 "[ . + -]" 1
451 1 63 THR HB 1 65 THR HB . . 4.000 4.078 2.867 5.299 1.299 10 4 "[ * -* +]" 1
452 1 63 THR HB 1 65 THR MG . . 6.000 3.927 1.959 5.047 . 0 0 "[ . 1]" 1
453 1 63 THR HB 1 66 MET H . . 4.000 3.171 2.201 4.642 0.642 2 1 "[ + . 1]" 1
454 1 63 THR MG 1 64 GLY H . . 6.000 3.326 2.310 3.850 . 0 0 "[ . 1]" 1
455 1 63 THR MG 1 65 THR MG . . 7.000 3.893 2.484 4.779 . 0 0 "[ . 1]" 1
456 1 64 GLY H 1 65 THR H . . 4.000 2.505 1.935 2.922 . 0 0 "[ . 1]" 1
457 1 64 GLY HA3 1 65 THR H . . 4.000 3.000 2.832 3.134 . 0 0 "[ . 1]" 1
458 1 64 GLY HA2 1 65 THR H . . 4.000 3.455 3.315 3.540 . 0 0 "[ . 1]" 1
459 1 64 GLY QA 1 67 THR H . . 6.000 3.597 3.300 3.799 . 0 0 "[ . 1]" 1
460 1 64 GLY QA 1 67 THR MG . . 7.000 2.981 1.917 3.912 . 0 0 "[ . 1]" 1
461 1 64 GLY QA 1 68 GLY H . . 6.000 3.280 2.612 3.585 . 0 0 "[ . 1]" 1
462 1 65 THR H 1 65 THR HB . . 4.000 2.779 2.528 3.571 . 0 0 "[ . 1]" 1
463 1 65 THR H 1 66 MET H . . 4.000 2.669 2.556 2.860 . 0 0 "[ . 1]" 1
464 1 65 THR H 1 67 THR MG . . 6.000 4.661 3.930 5.169 . 0 0 "[ . 1]" 1
465 1 65 THR HB 1 66 MET H . . 4.000 3.110 2.164 4.143 0.143 2 0 "[ . 1]" 1
466 1 65 THR HB 1 66 MET QB . . 5.600 4.863 3.673 6.193 0.593 2 1 "[ + . 1]" 1
467 1 65 THR MG 1 66 MET H . . 6.000 2.968 1.939 3.954 . 0 0 "[ . 1]" 1
468 1 65 THR MG 1 66 MET HA . . 6.000 3.737 3.339 5.355 . 0 0 "[ . 1]" 1
469 1 65 THR MG 1 69 ILE MG . . 7.000 5.624 4.466 6.887 . 0 0 "[ . 1]" 1
470 1 65 THR MG 1 69 ILE MD . . 7.000 3.413 2.334 4.694 . 0 0 "[ . 1]" 1
471 1 66 MET H 1 67 THR H . . 4.000 2.631 2.386 2.821 . 0 0 "[ . 1]" 1
472 1 66 MET H 1 67 THR MG . . 6.000 3.884 3.382 4.238 . 0 0 "[ . 1]" 1
473 1 66 MET HA 1 69 ILE HB . . 4.000 3.454 2.978 3.800 . 0 0 "[ . 1]" 1
474 1 66 MET HA 1 69 ILE MD . . 6.000 3.210 2.360 4.270 . 0 0 "[ . 1]" 1
475 1 66 MET HA 1 70 ALA MB . . 5.000 4.778 3.968 5.485 0.485 5 0 "[ . 1]" 1
476 1 66 MET QB 1 67 THR H . . 5.600 2.417 2.202 2.580 . 0 0 "[ . 1]" 1
477 1 66 MET QG 1 100 GLN QE . . 7.000 5.273 3.224 8.085 1.085 6 2 "[ .+ -]" 1
478 1 67 THR H 1 68 GLY H . . 4.000 2.634 2.471 2.738 . 0 0 "[ . 1]" 1
479 1 67 THR HA 1 68 GLY H . . 4.000 3.536 3.523 3.571 . 0 0 "[ . 1]" 1
480 1 67 THR HA 1 70 ALA H . . 4.000 3.493 3.268 3.781 . 0 0 "[ . 1]" 1
481 1 67 THR HA 1 70 ALA MB . . 6.000 2.571 2.316 2.858 . 0 0 "[ . 1]" 1
482 1 67 THR HA 1 71 PHE H . . 5.000 4.003 3.760 4.396 . 0 0 "[ . 1]" 1
483 1 67 THR HA 1 93 VAL QG . . 7.400 3.596 2.846 4.463 . 0 0 "[ . 1]" 1
484 1 67 THR HB 1 68 GLY H . . 5.000 3.861 3.488 4.186 . 0 0 "[ . 1]" 1
485 1 67 THR MG 1 68 GLY H . . 6.000 3.200 2.044 3.927 . 0 0 "[ . 1]" 1
486 1 67 THR MG 1 68 GLY HA3 . . 6.000 4.889 3.394 5.742 . 0 0 "[ . 1]" 1
487 1 67 THR MG 1 68 GLY HA2 . . 6.000 4.690 3.274 5.503 . 0 0 "[ . 1]" 1
488 1 68 GLY H 1 69 ILE H . . 4.000 2.778 2.738 2.820 . 0 0 "[ . 1]" 1
489 1 68 GLY H 1 69 ILE QG . . 6.000 4.358 4.247 4.584 . 0 0 "[ . 1]" 1
490 1 68 GLY HA3 1 69 ILE H . . 5.000 2.759 2.720 2.822 . 0 0 "[ . 1]" 1
491 1 68 GLY HA2 1 69 ILE H . . 5.000 3.554 3.541 3.572 . 0 0 "[ . 1]" 1
492 1 68 GLY HA3 1 71 PHE H . . 5.000 4.830 4.642 5.141 0.141 3 0 "[ . 1]" 1
493 1 68 GLY HA2 1 71 PHE H . . 5.000 3.642 3.441 4.021 . 0 0 "[ . 1]" 1
494 1 68 GLY QA 1 72 SER H . . 5.000 3.909 3.697 4.048 . 0 0 "[ . 1]" 1
495 1 69 ILE H 1 69 ILE HB . . 3.000 2.514 2.422 2.567 . 0 0 "[ . 1]" 1
496 1 69 ILE H 1 70 ALA H . . 4.000 2.672 2.570 2.785 . 0 0 "[ . 1]" 1
497 1 69 ILE HA 1 70 ALA H . . 4.000 3.542 3.508 3.559 . 0 0 "[ . 1]" 1
498 1 69 ILE HA 1 71 PHE H . . 5.000 4.632 4.474 4.763 . 0 0 "[ . 1]" 1
499 1 69 ILE HA 1 72 SER H . . 5.000 3.476 3.346 3.622 . 0 0 "[ . 1]" 1
500 1 69 ILE HB 1 70 ALA H . . 4.000 2.588 2.327 2.897 . 0 0 "[ . 1]" 1
501 1 69 ILE HB 1 70 ALA HA . . 5.000 4.308 4.189 4.440 . 0 0 "[ . 1]" 1
502 1 69 ILE MG 1 70 ALA H . . 6.000 3.369 3.193 3.589 . 0 0 "[ . 1]" 1
503 1 69 ILE MG 1 70 ALA HA . . 6.000 3.437 3.257 3.601 . 0 0 "[ . 1]" 1
504 1 69 ILE MG 1 70 ALA MB . . 7.000 4.133 3.948 4.372 . 0 0 "[ . 1]" 1
505 1 69 ILE MG 1 73 LYS H . . 6.000 4.157 3.881 4.356 . 0 0 "[ . 1]" 1
506 1 69 ILE MG 1 73 LYS QD . . 7.000 3.448 2.509 4.586 . 0 0 "[ . 1]" 1
507 1 70 ALA H 1 71 PHE H . . 4.000 2.832 2.767 2.917 . 0 0 "[ . 1]" 1
508 1 70 ALA H 1 72 SER H . . 4.000 4.169 4.086 4.240 0.240 5 0 "[ . 1]" 1
509 1 70 ALA HA 1 71 PHE H . . 5.000 3.559 3.529 3.573 . 0 0 "[ . 1]" 1
510 1 70 ALA HA 1 72 SER H . . 5.000 4.521 4.391 4.675 . 0 0 "[ . 1]" 1
511 1 70 ALA HA 1 73 LYS H . . 4.000 3.576 3.294 3.744 . 0 0 "[ . 1]" 1
512 1 70 ALA HA 1 73 LYS HB2 . . 4.000 3.146 2.585 3.992 . 0 0 "[ . 1]" 1
513 1 70 ALA HA 1 73 LYS HB3 . . 4.000 4.134 2.998 4.914 0.914 7 4 "[ * .*+ -1]" 1
514 1 70 ALA HA 1 74 VAL H . . 5.000 4.327 3.950 4.705 . 0 0 "[ . 1]" 1
515 1 70 ALA HA 1 74 VAL MG1 . . 6.000 4.554 3.281 6.437 0.437 7 0 "[ . 1]" 1
516 1 70 ALA HA 1 74 VAL MG2 . . 6.000 4.600 3.628 6.623 0.623 5 1 "[ + 1]" 1
517 1 70 ALA HA 1 93 VAL QG . . 7.400 5.219 4.733 5.554 . 0 0 "[ . 1]" 1
518 1 70 ALA MB 1 71 PHE H . . 6.000 2.317 2.191 2.475 . 0 0 "[ . 1]" 1
519 1 70 ALA MB 1 74 VAL QG . . 8.400 3.298 3.002 3.799 . 0 0 "[ . 1]" 1
520 1 70 ALA MB 1 89 VAL QG . . 8.400 2.688 1.789 3.261 . 0 0 "[ . 1]" 1
521 1 70 ALA MB 1 92 PHE QB . . 7.000 2.374 1.900 3.333 . 0 0 "[ . 1]" 1
522 1 70 ALA MB 1 93 VAL H . . 6.000 3.935 3.347 4.459 . 0 0 "[ . 1]" 1
523 1 70 ALA MB 1 93 VAL QG . . 8.400 2.947 2.489 3.148 . 0 0 "[ . 1]" 1
524 1 71 PHE H 1 71 PHE HB2 . . 4.000 2.418 2.300 2.522 . 0 0 "[ . 1]" 1
525 1 71 PHE H 1 71 PHE HB3 . . 4.000 3.182 2.542 3.605 . 0 0 "[ . 1]" 1
526 1 71 PHE H 1 72 SER H . . 4.000 2.762 2.721 2.808 . 0 0 "[ . 1]" 1
527 1 71 PHE H 1 72 SER QB . . 5.000 4.755 4.442 4.886 . 0 0 "[ . 1]" 1
528 1 71 PHE H 1 89 VAL QG . . 7.400 4.230 3.396 4.932 . 0 0 "[ . 1]" 1
529 1 71 PHE HA 1 72 SER H . . 5.000 3.544 3.529 3.563 . 0 0 "[ . 1]" 1
530 1 71 PHE HA 1 74 VAL H . . 5.000 3.401 3.142 3.659 . 0 0 "[ . 1]" 1
531 1 71 PHE HA 1 74 VAL HB . . 5.000 3.987 2.344 4.822 . 0 0 "[ . 1]" 1
532 1 71 PHE HA 1 74 VAL MG1 . . 6.000 3.355 1.981 3.899 . 0 0 "[ . 1]" 1
533 1 71 PHE HA 1 74 VAL MG2 . . 6.000 2.484 1.701 4.473 . 0 0 "[ . 1]" 1
534 1 71 PHE HA 1 75 THR H . . 5.000 3.776 3.162 4.296 . 0 0 "[ . 1]" 1
535 1 71 PHE HA 1 89 VAL MG1 . . 6.000 4.533 4.013 4.885 . 0 0 "[ . 1]" 1
536 1 71 PHE HA 1 89 VAL MG2 . . 6.000 3.624 2.510 4.765 . 0 0 "[ . 1]" 1
537 1 71 PHE HB2 1 72 SER H . . 5.000 3.156 2.585 3.872 . 0 0 "[ . 1]" 1
538 1 71 PHE HB3 1 72 SER H . . 5.000 3.117 2.532 3.555 . 0 0 "[ . 1]" 1
539 1 71 PHE CG 1 77 PRO QD . . 8.200 8.355 7.253 10.780 2.580 10 3 "[- . *+]" 1
540 1 71 PHE CG 1 89 VAL MG1 . . 8.200 5.551 3.974 6.487 . 0 0 "[ . 1]" 1
541 1 71 PHE CG 1 89 VAL MG2 . . 8.200 4.858 3.050 6.226 . 0 0 "[ . 1]" 1
542 1 72 SER H 1 73 LYS H . . 3.000 2.678 2.566 2.807 . 0 0 "[ . 1]" 1
543 1 72 SER HA 1 73 LYS H . . 5.000 3.505 3.469 3.544 . 0 0 "[ . 1]" 1
544 1 72 SER HA 1 75 THR H . . 4.000 3.944 3.537 4.823 0.823 1 1 "[+ . 1]" 1
545 1 72 SER HA 1 76 GLY H . . 5.000 3.338 2.893 3.597 . 0 0 "[ . 1]" 1
546 1 72 SER QB 1 73 LYS H . . 4.000 2.804 2.677 2.926 . 0 0 "[ . 1]" 1
547 1 72 SER QB 1 77 PRO QD . . 7.000 6.481 5.183 7.509 0.509 1 1 "[+ . 1]" 1
548 1 73 LYS H 1 73 LYS HB2 . . 4.000 2.371 2.154 2.587 . 0 0 "[ . 1]" 1
549 1 73 LYS H 1 73 LYS HB3 . . 4.000 3.306 2.493 3.586 . 0 0 "[ . 1]" 1
550 1 73 LYS H 1 74 VAL H . . 3.000 2.451 2.349 2.597 . 0 0 "[ . 1]" 1
551 1 73 LYS H 1 74 VAL QG . . 7.400 3.513 3.256 4.027 . 0 0 "[ . 1]" 1
552 1 73 LYS H 1 75 THR H . . 4.000 4.184 3.900 4.563 0.563 4 1 "[ +. 1]" 1
553 1 73 LYS HA 1 74 VAL H . . 4.000 3.516 3.424 3.563 . 0 0 "[ . 1]" 1
554 1 73 LYS HA 1 74 VAL HA . . 5.000 4.734 4.603 4.838 . 0 0 "[ . 1]" 1
555 1 73 LYS HA 1 75 THR H . . 5.000 4.758 4.156 5.322 0.322 4 0 "[ . 1]" 1
556 1 73 LYS HB2 1 74 VAL H . . 4.000 3.099 2.589 3.948 . 0 0 "[ . 1]" 1
557 1 73 LYS HB3 1 74 VAL H . . 4.000 3.348 2.495 3.813 . 0 0 "[ . 1]" 1
558 1 73 LYS QB 1 74 VAL QG . . 8.000 3.072 2.700 3.634 . 0 0 "[ . 1]" 1
559 1 73 LYS QG 1 74 VAL HB . . 6.000 6.538 5.564 7.236 1.236 9 5 "[ ** .* -+1]" 1
560 1 74 VAL H 1 74 VAL HB . . 4.000 3.163 2.284 3.667 . 0 0 "[ . 1]" 1
561 1 74 VAL H 1 75 THR H . . 4.000 2.648 2.198 2.899 . 0 0 "[ . 1]" 1
562 1 74 VAL H 1 75 THR MG . . 6.000 4.631 4.236 4.845 . 0 0 "[ . 1]" 1
563 1 74 VAL H 1 89 VAL QG . . 7.400 4.461 3.906 4.676 . 0 0 "[ . 1]" 1
564 1 74 VAL HA 1 75 THR H . . 5.000 3.549 3.474 3.614 . 0 0 "[ . 1]" 1
565 1 74 VAL HA 1 75 THR HA . . 5.000 4.639 4.475 4.792 . 0 0 "[ . 1]" 1
566 1 74 VAL HA 1 75 THR HB . . 5.000 5.581 4.395 6.648 1.648 10 5 "[*- *. *+]" 1
567 1 74 VAL HB 1 75 THR H . . 4.000 3.347 2.000 4.108 0.108 2 0 "[ . 1]" 1
568 1 74 VAL HB 1 75 THR MG . . 6.000 3.471 3.033 4.238 . 0 0 "[ . 1]" 1
569 1 74 VAL HB 1 88 LYS QE . . 6.000 6.191 3.433 7.392 1.392 4 4 "[ - +. * *]" 1
570 1 74 VAL HB 1 89 VAL MG1 . . 6.000 4.422 3.430 5.059 . 0 0 "[ . 1]" 1
571 1 74 VAL HB 1 89 VAL MG2 . . 6.000 3.499 1.986 5.016 . 0 0 "[ . 1]" 1
572 1 74 VAL QG 1 75 THR H . . 7.400 2.281 1.703 2.788 . 0 0 "[ . 1]" 1
573 1 74 VAL QG 1 81 ALA MB . . 8.400 3.247 2.168 4.062 . 0 0 "[ . 1]" 1
574 1 74 VAL QG 1 88 LYS QB . . 8.400 1.996 1.662 3.183 . 0 0 "[ . 1]" 1
575 1 74 VAL QG 1 89 VAL H . . 7.400 2.517 2.126 3.508 . 0 0 "[ . 1]" 1
576 1 74 VAL QG 1 89 VAL HA . . 7.400 2.800 2.360 3.737 . 0 0 "[ . 1]" 1
577 1 74 VAL QG 1 93 VAL QG . . 9.800 4.608 4.455 4.895 . 0 0 "[ . 1]" 1
578 1 74 VAL QG 1 75 THR HB . . 7.400 3.795 2.870 4.472 . 0 0 "[ . 1]" 1
579 1 74 VAL QG 1 75 THR MG . . 8.400 1.810 1.479 2.383 . 0 0 "[ . 1]" 1
580 1 74 VAL QG 1 85 GLU HA . . 7.400 2.551 1.546 3.217 . 0 0 "[ . 1]" 1
581 1 74 VAL QG 1 85 GLU QG . . 8.400 2.449 1.748 3.834 . 0 0 "[ . 1]" 1
582 1 74 VAL QG 1 89 VAL HB . . 7.400 2.832 1.229 4.017 . 0 0 "[ . 1]" 1
583 1 74 VAL QG 1 89 VAL QG . . 9.800 1.816 1.426 2.391 . 0 0 "[ . 1]" 1
584 1 75 THR H 1 76 GLY H . . 4.000 2.806 1.733 3.616 . 0 0 "[ . 1]" 1
585 1 75 THR H 1 89 VAL QG . . 7.400 5.116 4.656 5.891 . 0 0 "[ . 1]" 1
586 1 75 THR HA 1 79 LYS QG . . 6.000 8.290 6.358 10.751 4.751 8 8 "[* * **-+**]" 1
587 1 75 THR HB 1 79 LYS QG . . 6.000 7.867 5.972 9.468 3.468 8 9 "[-***** +**]" 1
588 1 75 THR MG 1 79 LYS QB . . 7.000 5.489 4.724 6.287 . 0 0 "[ . 1]" 1
589 1 75 THR MG 1 80 LYS H . . 6.000 4.131 3.209 4.840 . 0 0 "[ . 1]" 1
590 1 75 THR MG 1 81 ALA HA . . 6.000 3.775 2.999 4.896 . 0 0 "[ . 1]" 1
591 1 75 THR MG 1 81 ALA MB . . 7.000 2.418 1.485 4.393 . 0 0 "[ . 1]" 1
592 1 75 THR MG 1 85 GLU QG . . 7.000 3.092 2.097 4.931 . 0 0 "[ . 1]" 1
593 1 75 THR MG 1 88 LYS QE . . 7.000 7.542 5.520 8.426 1.426 9 6 "[ * *.* -+*]" 1
594 1 75 THR MG 1 89 VAL QG . . 8.400 4.319 3.852 5.012 . 0 0 "[ . 1]" 1
595 1 76 GLY HA3 1 77 PRO QD . . 6.000 2.098 1.768 2.449 . 0 0 "[ . 1]" 1
596 1 76 GLY HA2 1 77 PRO QD . . 6.000 3.421 3.242 3.553 . 0 0 "[ . 1]" 1
597 1 76 GLY QA 1 77 PRO QD . . 6.600 2.078 1.760 2.407 . 0 0 "[ . 1]" 1
598 1 76 GLY QA 1 78 LYS H . . 5.000 5.715 5.130 6.060 1.060 7 7 "[** *.-+ **]" 1
599 1 76 GLY QA 1 78 LYS QB . . 7.000 6.690 5.383 7.296 0.296 7 0 "[ . 1]" 1
600 1 77 PRO HA 1 78 LYS H . . 4.000 2.380 2.127 2.701 . 0 0 "[ . 1]" 1
601 1 77 PRO QB 1 78 LYS H . . 3.600 2.698 2.025 3.425 . 0 0 "[ . 1]" 1
602 1 77 PRO QB 1 78 LYS HA . . 4.600 4.471 4.227 4.696 0.096 8 0 "[ . 1]" 1
603 1 77 PRO QB 1 78 LYS QG . . 6.600 4.644 3.327 5.622 . 0 0 "[ . 1]" 1
604 1 77 PRO QB 1 79 LYS H . . 6.000 2.464 2.113 3.105 . 0 0 "[ . 1]" 1
605 1 77 PRO QB 1 80 LYS H . . 5.000 3.981 3.316 4.926 . 0 0 "[ . 1]" 1
606 1 77 PRO QG 1 78 LYS H . . 6.000 4.325 3.664 4.797 . 0 0 "[ . 1]" 1
607 1 77 PRO QG 1 79 LYS H . . 6.000 3.825 2.698 4.795 . 0 0 "[ . 1]" 1
608 1 77 PRO QD 1 78 LYS H . . 6.000 4.816 4.559 4.956 . 0 0 "[ . 1]" 1
609 1 77 PRO QD 1 78 LYS QE . . 7.000 7.733 6.483 8.854 1.854 9 6 "[* - .* *+*]" 1
610 1 77 PRO QD 1 79 LYS H . . 6.000 4.803 4.060 5.783 . 0 0 "[ . 1]" 1
611 1 78 LYS H 1 79 LYS H . . 4.000 2.543 2.322 2.739 . 0 0 "[ . 1]" 1
612 1 78 LYS HA 1 79 LYS H . . 5.000 3.376 3.319 3.508 . 0 0 "[ . 1]" 1
613 1 78 LYS QB 1 79 LYS QB . . 5.200 4.863 4.313 5.195 . 0 0 "[ . 1]" 1
614 1 78 LYS QB 1 80 LYS H . . 6.000 5.274 4.780 5.707 . 0 0 "[ . 1]" 1
615 1 78 LYS QG 1 80 LYS H . . 6.000 5.550 4.852 6.712 0.712 1 1 "[+ . 1]" 1
616 1 79 LYS H 1 79 LYS HA . . 3.000 2.748 2.663 2.835 . 0 0 "[ . 1]" 1
617 1 79 LYS H 1 80 LYS H . . 4.000 3.020 2.695 3.366 . 0 0 "[ . 1]" 1
618 1 79 LYS HA 1 80 LYS H . . 4.000 3.559 3.514 3.590 . 0 0 "[ . 1]" 1
619 1 80 LYS HA 1 81 ALA H . . 3.000 2.583 2.132 3.396 0.396 9 0 "[ . 1]" 1
620 1 80 LYS QB 1 81 ALA H . . 4.600 2.658 1.476 3.939 . 0 0 "[ . 1]" 1
621 1 80 LYS QB 1 82 THR MG . . 7.000 5.478 2.821 6.641 . 0 0 "[ . 1]" 1
622 1 80 LYS QG 1 81 ALA H . . 6.000 2.903 1.293 4.126 . 0 0 "[ . 1]" 1
623 1 80 LYS QG 1 81 ALA HA . . 6.000 4.591 3.526 6.096 0.096 4 0 "[ . 1]" 1
624 1 80 LYS QD 1 81 ALA H . . 6.000 4.164 3.391 5.374 . 0 0 "[ . 1]" 1
625 1 81 ALA H 1 82 THR MG . . 6.000 4.904 3.924 5.370 . 0 0 "[ . 1]" 1
626 1 81 ALA H 1 85 GLU QB . . 5.000 4.214 2.820 5.261 0.261 10 0 "[ . 1]" 1
627 1 81 ALA H 1 85 GLU QG . . 6.000 4.442 3.023 6.197 0.197 10 0 "[ . 1]" 1
628 1 81 ALA HA 1 82 THR H . . 3.000 2.955 1.993 3.566 0.566 6 4 "[ * -+* 1]" 1
629 1 81 ALA HA 1 82 THR MG . . 6.000 3.979 3.455 5.216 . 0 0 "[ . 1]" 1
630 1 81 ALA MB 1 82 THR H . . 6.000 2.512 1.760 3.616 . 0 0 "[ . 1]" 1
631 1 81 ALA MB 1 85 GLU QB . . 7.000 2.116 1.292 3.482 . 0 0 "[ . 1]" 1
632 1 81 ALA MB 1 85 GLU QG . . 7.000 2.826 1.609 4.157 . 0 0 "[ . 1]" 1
633 1 81 ALA MB 1 86 THR H . . 6.000 4.382 3.539 4.820 . 0 0 "[ . 1]" 1
634 1 81 ALA MB 1 86 THR MG . . 7.000 5.784 3.739 6.946 . 0 0 "[ . 1]" 1
635 1 81 ALA MB 1 89 VAL QG . . 8.400 4.620 3.464 5.427 . 0 0 "[ . 1]" 1
636 1 82 THR H 1 85 GLU H . . 4.000 3.478 2.306 4.998 0.998 10 1 "[ . +]" 1
637 1 82 THR H 1 85 GLU QB . . 5.000 2.357 1.770 3.220 . 0 0 "[ . 1]" 1
638 1 82 THR H 1 85 GLU QG . . 6.000 3.489 2.556 4.622 . 0 0 "[ . 1]" 1
639 1 82 THR HA 1 83 PHE H . . 4.000 2.841 2.574 3.112 . 0 0 "[ . 1]" 1
640 1 82 THR HA 1 84 ASP H . . 5.000 4.834 4.349 5.559 0.559 8 2 "[ . + -]" 1
641 1 82 THR HA 1 85 GLU H . . 5.000 4.884 4.424 5.509 0.509 1 1 "[+ . 1]" 1
642 1 82 THR HA 1 85 GLU QB . . 5.000 4.261 3.651 5.218 0.218 6 0 "[ . 1]" 1
643 1 82 THR HA 1 86 THR H . . 4.000 5.507 4.358 6.806 2.806 5 9 "[***-+** **]" 1
644 1 82 THR HB 1 83 PHE H . . 4.000 3.057 1.697 3.582 . 0 0 "[ . 1]" 1
645 1 82 THR HB 1 84 ASP H . . 5.000 4.380 2.244 5.968 0.968 10 2 "[ . - +]" 1
646 1 82 THR HB 1 85 GLU H . . 5.000 4.916 3.579 5.821 0.821 1 2 "[+ . -]" 1
647 1 82 THR MG 1 83 PHE H . . 6.000 2.624 1.540 3.461 . 0 0 "[ . 1]" 1
648 1 82 THR MG 1 84 ASP H . . 6.000 2.764 1.471 5.000 . 0 0 "[ . 1]" 1
649 1 82 THR MG 1 85 GLU QB . . 7.000 3.659 2.460 5.063 . 0 0 "[ . 1]" 1
650 1 83 PHE H 1 84 ASP H . . 4.000 2.826 2.176 3.399 . 0 0 "[ . 1]" 1
651 1 83 PHE HA 1 87 LYS QB . . 6.000 5.413 4.781 6.470 0.470 9 0 "[ . 1]" 1
652 1 83 PHE HB2 1 84 ASP H . . 5.000 3.352 1.980 4.031 . 0 0 "[ . 1]" 1
653 1 83 PHE HB3 1 84 ASP H . . 5.000 3.296 2.073 4.035 . 0 0 "[ . 1]" 1
654 1 84 ASP H 1 85 GLU H . . 4.000 2.645 2.454 2.847 . 0 0 "[ . 1]" 1
655 1 84 ASP H 1 86 THR H . . 5.000 4.510 3.974 5.417 0.417 5 0 "[ . 1]" 1
656 1 84 ASP HA 1 87 LYS H . . 4.000 3.545 3.207 3.836 . 0 0 "[ . 1]" 1
657 1 84 ASP HA 1 87 LYS HB2 . . 5.000 4.054 2.685 5.027 0.027 9 0 "[ . 1]" 1
658 1 84 ASP HA 1 87 LYS HB3 . . 5.000 3.578 2.258 4.577 . 0 0 "[ . 1]" 1
659 1 84 ASP HA 1 87 LYS HG2 . . 5.000 3.279 1.957 5.019 0.019 8 0 "[ . 1]" 1
660 1 84 ASP HA 1 87 LYS HG3 . . 5.000 3.840 2.196 5.114 0.114 6 0 "[ . 1]" 1
661 1 84 ASP HA 1 88 LYS H . . 4.000 4.113 3.826 4.368 0.368 8 0 "[ . 1]" 1
662 1 84 ASP HA 1 88 LYS QB . . 6.000 5.216 4.767 5.660 . 0 0 "[ . 1]" 1
663 1 84 ASP QB 1 85 GLU H . . 4.600 2.679 2.304 3.020 . 0 0 "[ . 1]" 1
664 1 84 ASP QB 1 88 LYS QE . . 7.000 3.846 1.714 5.229 . 0 0 "[ . 1]" 1
665 1 85 GLU H 1 85 GLU HG2 . . 5.000 4.062 3.449 4.462 . 0 0 "[ . 1]" 1
666 1 85 GLU H 1 85 GLU HG3 . . 5.000 4.127 2.741 4.598 . 0 0 "[ . 1]" 1
667 1 85 GLU H 1 86 THR H . . 4.000 2.907 2.671 3.302 . 0 0 "[ . 1]" 1
668 1 85 GLU H 1 88 LYS QB . . 6.000 4.911 4.722 5.055 . 0 0 "[ . 1]" 1
669 1 85 GLU HA 1 86 THR H . . 4.000 3.562 3.530 3.597 . 0 0 "[ . 1]" 1
670 1 85 GLU HA 1 88 LYS H . . 5.000 3.688 3.346 3.998 . 0 0 "[ . 1]" 1
671 1 85 GLU HA 1 88 LYS QB . . 6.000 2.844 2.507 3.373 . 0 0 "[ . 1]" 1
672 1 85 GLU HA 1 89 VAL QG . . 7.400 3.986 3.236 4.684 . 0 0 "[ . 1]" 1
673 1 85 GLU QB 1 86 THR H . . 4.600 2.409 1.946 3.398 . 0 0 "[ . 1]" 1
674 1 85 GLU QB 1 88 LYS QE . . 7.000 5.934 4.083 7.254 0.254 9 0 "[ . 1]" 1
675 1 85 GLU QB 1 89 VAL QG . . 8.400 4.080 3.371 4.591 . 0 0 "[ . 1]" 1
676 1 85 GLU QG 1 88 LYS QE . . 7.000 6.043 3.476 7.510 0.510 2 1 "[ + . 1]" 1
677 1 85 GLU QG 1 89 VAL H . . 6.000 5.042 3.794 6.079 0.079 1 0 "[ . 1]" 1
678 1 86 THR H 1 87 LYS H . . 4.000 2.743 2.595 2.978 . 0 0 "[ . 1]" 1
679 1 86 THR H 1 89 VAL H . . 5.000 4.848 4.564 5.078 0.078 7 0 "[ . 1]" 1
680 1 86 THR HA 1 89 VAL H . . 4.000 3.563 3.078 3.926 . 0 0 "[ . 1]" 1
681 1 86 THR HA 1 89 VAL HB . . 4.000 3.707 2.914 4.745 0.745 9 1 "[ . +1]" 1
682 1 86 THR HA 1 89 VAL QG . . 7.400 2.390 1.606 3.111 . 0 0 "[ . 1]" 1
683 1 86 THR HA 1 90 LEU H . . 5.000 4.033 3.464 4.511 . 0 0 "[ . 1]" 1
684 1 86 THR MG 1 87 LYS H . . 6.000 3.587 3.418 3.752 . 0 0 "[ . 1]" 1
685 1 86 THR MG 1 88 LYS H . . 6.000 5.073 4.979 5.203 . 0 0 "[ . 1]" 1
686 1 86 THR MG 1 90 LEU QD . . 8.400 2.680 2.302 3.251 . 0 0 "[ . 1]" 1
687 1 87 LYS H 1 87 LYS HG2 . . 5.000 3.169 2.036 4.560 . 0 0 "[ . 1]" 1
688 1 87 LYS H 1 87 LYS HG3 . . 5.000 3.606 2.409 4.559 . 0 0 "[ . 1]" 1
689 1 87 LYS H 1 88 LYS H . . 4.000 2.643 2.516 2.754 . 0 0 "[ . 1]" 1
690 1 87 LYS HA 1 88 LYS H . . 5.000 3.520 3.479 3.554 . 0 0 "[ . 1]" 1
691 1 87 LYS HA 1 90 LEU H . . 5.000 3.896 3.526 4.220 . 0 0 "[ . 1]" 1
692 1 87 LYS HA 1 90 LEU QB . . 5.000 3.151 2.664 3.401 . 0 0 "[ . 1]" 1
693 1 87 LYS HA 1 90 LEU QD . . 7.400 3.779 3.040 4.702 . 0 0 "[ . 1]" 1
694 1 87 LYS HB2 1 88 LYS H . . 5.000 3.776 2.841 4.057 . 0 0 "[ . 1]" 1
695 1 87 LYS HB3 1 88 LYS H . . 5.000 3.458 2.452 4.150 . 0 0 "[ . 1]" 1
696 1 87 LYS QB 1 88 LYS HA . . 5.600 4.292 3.930 4.583 . 0 0 "[ . 1]" 1
697 1 87 LYS QB 1 90 LEU QB . . 7.000 4.730 4.111 5.157 . 0 0 "[ . 1]" 1
698 1 87 LYS HG2 1 88 LYS H . . 5.000 3.441 2.585 5.028 0.028 8 0 "[ . 1]" 1
699 1 87 LYS HG3 1 88 LYS H . . 5.000 3.403 2.042 4.664 . 0 0 "[ . 1]" 1
700 1 87 LYS QG 1 90 LEU QB . . 7.000 5.183 4.663 5.771 . 0 0 "[ . 1]" 1
701 1 87 LYS QG 1 90 LEU QD . . 8.400 5.486 4.239 6.060 . 0 0 "[ . 1]" 1
702 1 88 LYS H 1 88 LYS HB2 . . 4.000 2.322 2.149 2.484 . 0 0 "[ . 1]" 1
703 1 88 LYS H 1 88 LYS HB3 . . 4.000 3.541 3.443 3.583 . 0 0 "[ . 1]" 1
704 1 88 LYS H 1 89 VAL H . . 4.000 2.718 2.565 2.826 . 0 0 "[ . 1]" 1
705 1 88 LYS H 1 89 VAL QG . . 7.400 3.837 3.451 3.963 . 0 0 "[ . 1]" 1
706 1 88 LYS HA 1 91 ALA H . . 4.000 3.696 3.575 3.839 . 0 0 "[ . 1]" 1
707 1 88 LYS HA 1 91 ALA MB . . 6.000 2.818 2.622 3.043 . 0 0 "[ . 1]" 1
708 1 88 LYS HA 1 92 PHE H . . 5.000 3.987 3.605 4.278 . 0 0 "[ . 1]" 1
709 1 88 LYS HB2 1 89 VAL H . . 4.000 2.588 2.330 2.842 . 0 0 "[ . 1]" 1
710 1 88 LYS HB3 1 89 VAL H . . 4.000 3.303 2.761 3.557 . 0 0 "[ . 1]" 1
711 1 88 LYS QB 1 89 VAL QG . . 8.000 3.403 3.164 3.752 . 0 0 "[ . 1]" 1
712 1 89 VAL H 1 90 LEU H . . 4.000 2.794 2.692 2.895 . 0 0 "[ . 1]" 1
713 1 89 VAL H 1 90 LEU QB . . 5.000 4.665 4.399 4.812 . 0 0 "[ . 1]" 1
714 1 89 VAL HB 1 90 LEU H . . 4.000 2.982 2.223 4.003 0.003 1 0 "[ . 1]" 1
715 1 89 VAL HB 1 90 LEU HA . . 5.000 4.629 3.699 5.671 0.671 1 4 "[+ .* *-]" 1
716 1 89 VAL HB 1 93 VAL QG . . 7.400 4.313 3.980 4.700 . 0 0 "[ . 1]" 1
717 1 89 VAL QG 1 90 LEU QB . . 8.000 3.914 2.816 4.470 . 0 0 "[ . 1]" 1
718 1 89 VAL QG 1 93 VAL H . . 7.400 3.799 3.498 4.121 . 0 0 "[ . 1]" 1
719 1 89 VAL QG 1 93 VAL HB . . 7.400 4.121 3.443 4.941 . 0 0 "[ . 1]" 1
720 1 89 VAL QG 1 93 VAL QG . . 9.800 2.291 2.121 2.527 . 0 0 "[ . 1]" 1
721 1 90 LEU H 1 90 LEU HG . . 5.000 3.154 2.285 4.505 . 0 0 "[ . 1]" 1
722 1 90 LEU H 1 91 ALA H . . 4.000 2.680 2.572 2.763 . 0 0 "[ . 1]" 1
723 1 90 LEU H 1 92 PHE H . . 5.000 4.237 4.008 4.462 . 0 0 "[ . 1]" 1
724 1 90 LEU H 1 93 VAL QG . . 7.400 4.302 3.786 4.586 . 0 0 "[ . 1]" 1
725 1 90 LEU HA 1 93 VAL H . . 4.000 3.822 3.554 4.035 0.035 8 0 "[ . 1]" 1
726 1 90 LEU HA 1 93 VAL HB . . 5.000 3.664 2.876 5.016 0.016 9 0 "[ . 1]" 1
727 1 90 LEU HA 1 93 VAL QG . . 7.400 3.010 2.008 3.647 . 0 0 "[ . 1]" 1
728 1 90 LEU QB 1 91 ALA H . . 5.000 2.681 2.522 2.839 . 0 0 "[ . 1]" 1
729 1 90 LEU QB 1 91 ALA MB . . 5.600 3.807 3.675 3.900 . 0 0 "[ . 1]" 1
730 1 90 LEU QD 1 109 LEU HA . . 7.400 5.533 4.515 6.342 . 0 0 "[ . 1]" 1
731 1 90 LEU QD 1 112 ILE HB . . 7.400 5.107 4.147 5.875 . 0 0 "[ . 1]" 1
732 1 90 LEU QD 1 112 ILE MG . . 8.400 3.494 2.591 4.085 . 0 0 "[ . 1]" 1
733 1 90 LEU QD 1 116 LEU QD . . 9.800 4.143 3.668 4.580 . 0 0 "[ . 1]" 1
734 1 90 LEU QD 1 91 ALA H . . 7.400 4.048 3.646 4.178 . 0 0 "[ . 1]" 1
735 1 90 LEU QD 1 112 ILE MD . . 8.400 3.727 2.392 4.587 . 0 0 "[ . 1]" 1
736 1 91 ALA H 1 92 PHE H . . 4.000 2.611 2.554 2.651 . 0 0 "[ . 1]" 1
737 1 91 ALA HA 1 92 PHE H . . 5.000 3.555 3.524 3.574 . 0 0 "[ . 1]" 1
738 1 91 ALA HA 1 94 ALA H . . 4.000 3.813 3.562 3.991 . 0 0 "[ . 1]" 1
739 1 91 ALA HA 1 94 ALA MB . . 6.000 2.859 2.691 3.033 . 0 0 "[ . 1]" 1
740 1 91 ALA HA 1 109 LEU MD1 . . 6.000 3.678 3.314 3.921 . 0 0 "[ . 1]" 1
741 1 91 ALA HA 1 109 LEU MD2 . . 6.000 4.088 3.478 4.642 . 0 0 "[ . 1]" 1
742 1 91 ALA MB 1 92 PHE H . . 5.000 2.533 2.402 2.688 . 0 0 "[ . 1]" 1
743 1 91 ALA MB 1 109 LEU MD1 . . 7.000 4.458 4.132 4.686 . 0 0 "[ . 1]" 1
744 1 91 ALA MB 1 109 LEU MD2 . . 7.000 4.280 3.674 4.630 . 0 0 "[ . 1]" 1
745 1 92 PHE H 1 93 VAL H . . 4.000 2.693 2.586 2.847 . 0 0 "[ . 1]" 1
746 1 92 PHE H 1 94 ALA H . . 5.000 4.215 4.119 4.352 . 0 0 "[ . 1]" 1
747 1 92 PHE HA 1 95 GLU H . . 4.000 3.386 3.082 3.593 . 0 0 "[ . 1]" 1
748 1 92 PHE HA 1 95 GLU QB . . 6.000 2.401 2.020 2.789 . 0 0 "[ . 1]" 1
749 1 92 PHE HA 1 95 GLU QG . . 6.000 4.164 3.386 4.787 . 0 0 "[ . 1]" 1
750 1 92 PHE HA 1 96 ASP H . . 5.000 3.999 3.825 4.316 . 0 0 "[ . 1]" 1
751 1 92 PHE QB 1 93 VAL H . . 4.600 2.593 2.370 2.679 . 0 0 "[ . 1]" 1
752 1 93 VAL H 1 93 VAL HB . . 3.000 2.867 2.488 3.622 0.622 9 3 "[ - . * +1]" 1
753 1 93 VAL H 1 94 ALA H . . 4.000 2.719 2.688 2.770 . 0 0 "[ . 1]" 1
754 1 93 VAL HA 1 95 GLU H . . 4.000 4.439 4.316 4.580 0.580 9 2 "[ .- +1]" 1
755 1 93 VAL HA 1 95 GLU QB . . 6.000 4.904 4.666 5.337 . 0 0 "[ . 1]" 1
756 1 93 VAL HA 1 96 ASP H . . 5.000 3.688 3.477 4.017 . 0 0 "[ . 1]" 1
757 1 93 VAL HA 1 96 ASP QB . . 5.000 3.219 2.891 4.017 . 0 0 "[ . 1]" 1
758 1 93 VAL HB 1 94 ALA H . . 3.000 2.861 2.524 3.564 0.564 7 3 "[ - . + *1]" 1
759 1 93 VAL HB 1 95 GLU H . . 5.000 5.178 4.907 5.717 0.717 9 3 "[ * . - +1]" 1
760 1 93 VAL QG 1 94 ALA H . . 7.400 2.778 1.899 3.196 . 0 0 "[ . 1]" 1
761 1 93 VAL QG 1 95 GLU QG . . 8.400 6.423 6.152 6.549 . 0 0 "[ . 1]" 1
762 1 93 VAL QG 1 97 ARG QG . . 8.400 5.030 2.429 6.162 . 0 0 "[ . 1]" 1
763 1 94 ALA H 1 95 GLU H . . 4.000 2.674 2.616 2.779 . 0 0 "[ . 1]" 1
764 1 94 ALA H 1 105 ILE MD . . 6.000 5.067 3.773 5.898 . 0 0 "[ . 1]" 1
765 1 94 ALA HA 1 95 GLU H . . 4.000 3.537 3.520 3.563 . 0 0 "[ . 1]" 1
766 1 94 ALA HA 1 97 ARG H . . 4.000 3.878 3.481 4.452 0.452 1 0 "[ . 1]" 1
767 1 94 ALA HA 1 97 ARG QB . . 5.000 3.241 2.331 5.141 0.141 1 0 "[ . 1]" 1
768 1 94 ALA HA 1 105 ILE MG . . 6.000 6.321 5.113 7.157 1.157 6 5 "[* - .+* *1]" 1
769 1 94 ALA HA 1 105 ILE MD . . 6.000 5.420 3.901 6.431 0.431 4 0 "[ . 1]" 1
770 1 94 ALA HA 1 112 ILE MD . . 6.000 3.075 2.467 3.627 . 0 0 "[ . 1]" 1
771 1 94 ALA MB 1 95 GLU H . . 5.000 2.498 2.396 2.576 . 0 0 "[ . 1]" 1
772 1 94 ALA MB 1 98 ALA H . . 6.000 4.484 4.067 4.815 . 0 0 "[ . 1]" 1
773 1 94 ALA MB 1 105 ILE HB . . 6.000 3.997 2.851 4.871 . 0 0 "[ . 1]" 1
774 1 94 ALA MB 1 105 ILE MG . . 7.000 4.461 3.355 4.916 . 0 0 "[ . 1]" 1
775 1 94 ALA MB 1 105 ILE MD . . 7.000 3.000 1.844 3.724 . 0 0 "[ . 1]" 1
776 1 94 ALA MB 1 109 LEU H . . 6.000 3.416 3.043 3.767 . 0 0 "[ . 1]" 1
777 1 94 ALA MB 1 109 LEU HA . . 6.000 3.177 2.837 3.634 . 0 0 "[ . 1]" 1
778 1 94 ALA MB 1 109 LEU HB2 . . 6.000 2.972 2.457 4.556 . 0 0 "[ . 1]" 1
779 1 94 ALA MB 1 109 LEU HB3 . . 6.000 4.249 3.910 5.017 . 0 0 "[ . 1]" 1
780 1 94 ALA MB 1 109 LEU MD1 . . 7.000 2.731 2.039 3.268 . 0 0 "[ . 1]" 1
781 1 94 ALA MB 1 109 LEU MD2 . . 7.000 3.751 1.839 4.562 . 0 0 "[ . 1]" 1
782 1 95 GLU H 1 95 GLU HB2 . . 4.000 2.405 2.104 2.546 . 0 0 "[ . 1]" 1
783 1 95 GLU H 1 95 GLU HB3 . . 4.000 2.649 2.510 2.987 . 0 0 "[ . 1]" 1
784 1 95 GLU H 1 95 GLU HG2 . . 5.000 4.400 4.045 4.585 . 0 0 "[ . 1]" 1
785 1 95 GLU H 1 95 GLU HG3 . . 5.000 4.412 4.319 4.458 . 0 0 "[ . 1]" 1
786 1 95 GLU H 1 97 ARG H . . 4.000 4.460 4.083 5.114 1.114 6 3 "[* -.+ 1]" 1
787 1 95 GLU HA 1 96 ASP H . . 5.000 3.560 3.505 3.583 . 0 0 "[ . 1]" 1
788 1 95 GLU HA 1 98 ALA MB . . 6.000 2.772 2.299 3.513 . 0 0 "[ . 1]" 1
789 1 95 GLU HA 1 99 ARG QB . . 6.000 3.937 2.995 4.943 . 0 0 "[ . 1]" 1
790 1 95 GLU HA 1 105 ILE QG . . 6.000 3.282 1.678 4.618 . 0 0 "[ . 1]" 1
791 1 95 GLU HA 1 105 ILE MG . . 6.000 2.886 1.594 4.528 . 0 0 "[ . 1]" 1
792 1 95 GLU HA 1 105 ILE MD . . 6.000 3.585 2.485 5.245 . 0 0 "[ . 1]" 1
793 1 95 GLU QB 1 96 ASP H . . 4.600 2.375 2.113 2.721 . 0 0 "[ . 1]" 1
794 1 95 GLU QB 1 96 ASP HA . . 5.600 3.997 3.736 4.116 . 0 0 "[ . 1]" 1
795 1 95 GLU QB 1 96 ASP QB . . 6.200 3.887 3.497 4.343 . 0 0 "[ . 1]" 1
796 1 95 GLU QG 1 96 ASP H . . 6.000 3.645 3.115 4.386 . 0 0 "[ . 1]" 1
797 1 95 GLU QG 1 96 ASP HA . . 6.000 3.853 3.069 5.273 . 0 0 "[ . 1]" 1
798 1 95 GLU QG 1 96 ASP QB . . 6.600 4.686 3.831 5.669 . 0 0 "[ . 1]" 1
799 1 95 GLU QG 1 99 ARG QB . . 7.000 3.063 1.786 4.190 . 0 0 "[ . 1]" 1
800 1 96 ASP H 1 97 ARG H . . 4.000 2.849 2.632 3.292 . 0 0 "[ . 1]" 1
801 1 96 ASP H 1 100 GLN QE . . 5.000 6.841 5.428 9.703 4.703 6 8 "[*** *+*- *]" 1
802 1 96 ASP HA 1 99 ARG H . . 4.000 3.910 3.227 4.761 0.761 1 1 "[+ . 1]" 1
803 1 96 ASP HA 1 99 ARG QB . . 6.000 3.278 1.677 4.321 . 0 0 "[ . 1]" 1
804 1 96 ASP HA 1 99 ARG QD . . 6.000 3.701 2.001 5.171 . 0 0 "[ . 1]" 1
805 1 96 ASP HA 1 100 GLN QB . . 6.000 4.868 4.034 6.005 0.005 1 0 "[ . 1]" 1
806 1 96 ASP QB 1 97 ARG H . . 4.600 2.485 2.186 2.770 . 0 0 "[ . 1]" 1
807 1 96 ASP QB 1 100 GLN QB . . 7.000 5.370 4.298 6.437 . 0 0 "[ . 1]" 1
808 1 96 ASP QB 1 100 GLN QE . . 7.000 4.983 3.616 8.062 1.062 6 1 "[ .+ 1]" 1
809 1 97 ARG H 1 97 ARG HB2 . . 4.000 2.424 2.175 2.750 . 0 0 "[ . 1]" 1
810 1 97 ARG H 1 97 ARG HB3 . . 4.000 2.852 2.368 3.558 . 0 0 "[ . 1]" 1
811 1 97 ARG H 1 98 ALA H . . 4.000 2.616 2.293 2.846 . 0 0 "[ . 1]" 1
812 1 97 ARG HA 1 97 ARG HD2 . . 5.000 4.031 2.324 4.651 . 0 0 "[ . 1]" 1
813 1 97 ARG HA 1 97 ARG HD3 . . 5.000 4.192 3.280 4.723 . 0 0 "[ . 1]" 1
814 1 97 ARG HA 1 98 ALA H . . 4.000 3.527 3.466 3.558 . 0 0 "[ . 1]" 1
815 1 97 ARG HA 1 99 ARG H . . 4.000 4.660 4.245 5.056 1.056 8 7 "[ *-* *+**]" 1
816 1 97 ARG HA 1 99 ARG QB . . 5.000 5.528 4.964 6.628 1.628 8 4 "[ . -+**]" 1
817 1 97 ARG HA 1 100 GLN H . . 5.000 3.900 3.326 4.425 . 0 0 "[ . 1]" 1
818 1 97 ARG HA 1 100 GLN QB . . 5.000 3.393 2.346 4.873 . 0 0 "[ . 1]" 1
819 1 97 ARG HA 1 100 GLN QE . . 6.000 3.756 2.736 5.356 . 0 0 "[ . 1]" 1
820 1 97 ARG HA 1 101 SER QB . . 6.000 4.786 4.232 5.791 . 0 0 "[ . 1]" 1
821 1 97 ARG QB 1 98 ALA H . . 4.600 2.608 2.353 2.971 . 0 0 "[ . 1]" 1
822 1 97 ARG QB 1 101 SER QB . . 7.000 4.922 4.070 5.707 . 0 0 "[ . 1]" 1
823 1 97 ARG QB 1 105 ILE MG . . 7.000 6.834 5.636 8.909 1.909 1 4 "[+ .** -1]" 1
824 1 97 ARG QG 1 98 ALA H . . 6.000 3.975 3.315 4.516 . 0 0 "[ . 1]" 1
825 1 97 ARG QG 1 105 ILE MG . . 7.000 8.016 6.523 10.048 3.048 1 5 "[+ - .** *1]" 1
826 1 97 ARG QD 1 98 ALA H . . 6.000 4.613 3.197 5.553 . 0 0 "[ . 1]" 1
827 1 97 ARG QD 1 101 SER H . . 6.000 6.103 4.051 7.185 1.185 3 3 "[- + . * 1]" 1
828 1 98 ALA H 1 99 ARG H . . 4.000 2.660 2.458 2.947 . 0 0 "[ . 1]" 1
829 1 98 ALA H 1 105 ILE HB . . 5.000 5.336 4.474 6.523 1.523 1 4 "[+ *.*- 1]" 1
830 1 98 ALA HA 1 101 SER H . . 4.000 3.610 3.138 4.240 0.240 6 0 "[ . 1]" 1
831 1 98 ALA HA 1 102 LYS H . . 4.000 3.154 2.633 3.627 . 0 0 "[ . 1]" 1
832 1 98 ALA MB 1 99 ARG H . . 6.000 2.440 2.278 2.637 . 0 0 "[ . 1]" 1
833 1 98 ALA MB 1 101 SER QB . . 7.000 4.491 3.537 5.298 . 0 0 "[ . 1]" 1
834 1 98 ALA MB 1 102 LYS HA . . 6.000 5.868 5.142 6.572 0.572 6 1 "[ .+ 1]" 1
835 1 98 ALA MB 1 105 ILE HA . . 5.000 1.944 1.482 2.624 . 0 0 "[ . 1]" 1
836 1 98 ALA MB 1 105 ILE QG . . 7.000 3.855 2.859 4.519 . 0 0 "[ . 1]" 1
837 1 98 ALA MB 1 105 ILE MG . . 7.000 3.314 2.038 4.817 . 0 0 "[ . 1]" 1
838 1 99 ARG H 1 99 ARG HB2 . . 4.000 2.655 2.260 3.558 . 0 0 "[ . 1]" 1
839 1 99 ARG H 1 99 ARG HB3 . . 4.000 2.591 2.212 3.576 . 0 0 "[ . 1]" 1
840 1 99 ARG H 1 99 ARG QD . . 6.000 3.989 2.142 4.814 . 0 0 "[ . 1]" 1
841 1 99 ARG H 1 100 GLN H . . 3.000 2.697 2.527 3.001 0.001 3 0 "[ . 1]" 1
842 1 99 ARG HA 1 100 GLN H . . 5.000 3.505 3.442 3.579 . 0 0 "[ . 1]" 1
843 1 99 ARG HB2 1 100 GLN H . . 5.000 3.886 3.040 4.371 . 0 0 "[ . 1]" 1
844 1 99 ARG HB3 1 100 GLN H . . 5.000 3.035 2.446 3.984 . 0 0 "[ . 1]" 1
845 1 99 ARG QB 1 100 GLN QG . . 6.600 4.441 2.642 5.537 . 0 0 "[ . 1]" 1
846 1 100 GLN H 1 100 GLN HB2 . . 4.000 2.607 2.352 3.631 . 0 0 "[ . 1]" 1
847 1 100 GLN H 1 100 GLN HB3 . . 4.000 3.049 2.365 3.634 . 0 0 "[ . 1]" 1
848 1 100 GLN H 1 100 GLN HG2 . . 5.000 3.834 2.375 4.433 . 0 0 "[ . 1]" 1
849 1 100 GLN H 1 100 GLN HG3 . . 5.000 3.419 2.297 4.540 . 0 0 "[ . 1]" 1
850 1 100 GLN H 1 101 SER H . . 3.000 2.509 2.324 2.795 . 0 0 "[ . 1]" 1
851 1 100 GLN H 1 101 SER HA . . 5.000 5.134 4.942 5.348 0.348 6 0 "[ . 1]" 1
852 1 100 GLN H 1 102 LYS H . . 4.000 4.542 4.094 4.905 0.905 2 6 "[ + ** * -*]" 1
853 1 100 GLN HA 1 101 SER H . . 4.000 3.493 3.361 3.574 . 0 0 "[ . 1]" 1
854 1 100 GLN HB2 1 101 SER H . . 4.000 3.436 2.522 4.198 0.198 7 0 "[ . 1]" 1
855 1 100 GLN HB3 1 101 SER H . . 4.000 3.353 2.315 4.189 0.189 4 0 "[ . 1]" 1
856 1 100 GLN HB2 1 101 SER HA . . 5.000 4.967 4.402 5.626 0.626 5 4 "[ * +- *]" 1
857 1 100 GLN HB3 1 101 SER HA . . 5.000 4.483 4.131 5.683 0.683 7 1 "[ . + 1]" 1
858 1 100 GLN QB 1 102 LYS H . . 6.000 5.167 4.549 5.758 . 0 0 "[ . 1]" 1
859 1 101 SER H 1 102 LYS H . . 3.000 2.613 2.300 2.972 . 0 0 "[ . 1]" 1
860 1 101 SER H 1 102 LYS HA . . 5.000 5.087 4.923 5.272 0.272 10 0 "[ . 1]" 1
861 1 101 SER HA 1 102 LYS H . . 4.000 3.570 3.557 3.590 . 0 0 "[ . 1]" 1
862 1 101 SER QB 1 102 LYS H . . 4.600 2.144 1.904 2.565 . 0 0 "[ . 1]" 1
863 1 101 SER QB 1 102 LYS HB2 . . 5.600 3.803 3.362 4.163 . 0 0 "[ . 1]" 1
864 1 101 SER QB 1 102 LYS HB3 . . 5.600 4.650 4.003 5.178 . 0 0 "[ . 1]" 1
865 1 101 SER QB 1 103 LYS H . . 4.000 4.415 3.885 4.726 0.726 6 4 "[ .+**-1]" 1
866 1 102 LYS H 1 103 LYS H . . 4.000 2.521 2.164 2.776 . 0 0 "[ . 1]" 1
867 1 102 LYS HA 1 103 LYS H . . 4.000 3.508 3.458 3.550 . 0 0 "[ . 1]" 1
868 1 102 LYS QG 1 103 LYS HA . . 6.000 5.542 4.495 6.364 0.364 5 0 "[ . 1]" 1
869 1 103 LYS H 1 105 ILE H . . 4.000 5.877 5.528 6.189 2.189 1 10 [+****-****] 1
870 1 103 LYS HA 1 104 PRO QD . . 6.000 3.581 3.534 3.632 . 0 0 "[ . 1]" 1
871 1 104 PRO HA 1 105 ILE H . . 3.000 2.166 2.125 2.269 . 0 0 "[ . 1]" 1
872 1 104 PRO HA 1 106 GLN H . . 4.000 3.903 3.644 4.175 0.175 4 0 "[ . 1]" 1
873 1 104 PRO HA 1 107 ASP H . . 5.000 4.678 4.332 5.257 0.257 7 0 "[ . 1]" 1
874 1 104 PRO QB 1 105 ILE H . . 4.600 3.312 2.923 3.612 . 0 0 "[ . 1]" 1
875 1 104 PRO QB 1 106 GLN H . . 5.000 3.388 3.042 3.648 . 0 0 "[ . 1]" 1
876 1 104 PRO QB 1 107 ASP H . . 5.000 2.635 2.250 2.986 . 0 0 "[ . 1]" 1
877 1 104 PRO QB 1 107 ASP QB . . 7.000 2.679 1.995 3.658 . 0 0 "[ . 1]" 1
878 1 104 PRO QB 1 108 GLU H . . 6.000 4.503 3.559 5.136 . 0 0 "[ . 1]" 1
879 1 104 PRO QG 1 106 GLN QB . . 7.000 5.152 4.646 5.609 . 0 0 "[ . 1]" 1
880 1 105 ILE H 1 105 ILE HB . . 4.000 3.202 2.648 3.621 . 0 0 "[ . 1]" 1
881 1 105 ILE H 1 106 GLN H . . 4.000 2.558 2.287 2.751 . 0 0 "[ . 1]" 1
882 1 105 ILE HA 1 108 GLU QB . . 6.000 3.313 2.587 3.907 . 0 0 "[ . 1]" 1
883 1 105 ILE HB 1 106 GLN H . . 4.000 3.981 3.775 4.124 0.124 9 0 "[ . 1]" 1
884 1 105 ILE HB 1 108 GLU H . . 5.000 5.533 5.046 6.097 1.097 6 5 "[* * .+* -1]" 1
885 1 105 ILE HB 1 109 LEU H . . 5.000 5.452 4.492 6.296 1.296 7 5 "[* * .*+ -1]" 1
886 1 105 ILE HB 1 109 LEU QB . . 5.000 5.177 3.549 6.031 1.031 1 4 "[+ * . * -1]" 1
887 1 105 ILE MG 1 106 GLN H . . 6.000 2.977 2.069 4.021 . 0 0 "[ . 1]" 1
888 1 105 ILE MD 1 106 GLN H . . 6.000 3.398 2.405 4.499 . 0 0 "[ . 1]" 1
889 1 106 GLN H 1 106 GLN HB2 . . 4.000 2.278 2.040 2.557 . 0 0 "[ . 1]" 1
890 1 106 GLN H 1 106 GLN HB3 . . 4.000 2.895 2.543 3.561 . 0 0 "[ . 1]" 1
891 1 106 GLN H 1 107 ASP H . . 4.000 2.762 2.695 2.863 . 0 0 "[ . 1]" 1
892 1 106 GLN H 1 109 LEU QB . . 5.000 4.777 4.383 5.194 0.194 5 0 "[ . 1]" 1
893 1 106 GLN HA 1 107 ASP H . . 4.000 3.520 3.468 3.547 . 0 0 "[ . 1]" 1
894 1 106 GLN HA 1 109 LEU H . . 5.000 3.419 3.285 3.570 . 0 0 "[ . 1]" 1
895 1 106 GLN HA 1 109 LEU QB . . 5.000 2.576 2.161 2.831 . 0 0 "[ . 1]" 1
896 1 106 GLN QB 1 107 ASP H . . 4.600 2.680 2.429 2.961 . 0 0 "[ . 1]" 1
897 1 106 GLN QB 1 107 ASP HA . . 4.600 3.955 3.732 4.226 . 0 0 "[ . 1]" 1
898 1 106 GLN HE21 1 109 LEU QD . . 7.400 2.842 2.035 3.888 . 0 0 "[ . 1]" 1
899 1 106 GLN HE22 1 109 LEU QD . . 7.400 2.741 1.484 3.783 . 0 0 "[ . 1]" 1
900 1 107 ASP H 1 108 GLU H . . 4.000 2.788 2.625 2.981 . 0 0 "[ . 1]" 1
901 1 107 ASP HA 1 108 GLU H . . 5.000 3.546 3.520 3.567 . 0 0 "[ . 1]" 1
902 1 107 ASP HA 1 110 ASP H . . 5.000 3.744 3.419 4.030 . 0 0 "[ . 1]" 1
903 1 107 ASP HA 1 110 ASP QB . . 5.000 2.902 2.296 3.440 . 0 0 "[ . 1]" 1
904 1 107 ASP HA 1 111 ALA H . . 5.000 4.335 3.946 4.696 . 0 0 "[ . 1]" 1
905 1 107 ASP HB2 1 108 GLU H . . 5.000 3.443 2.519 3.991 . 0 0 "[ . 1]" 1
906 1 107 ASP HB3 1 108 GLU H . . 5.000 2.730 2.296 3.529 . 0 0 "[ . 1]" 1
907 1 108 GLU H 1 109 LEU H . . 4.000 2.598 2.470 2.690 . 0 0 "[ . 1]" 1
908 1 108 GLU H 1 109 LEU QB . . 5.600 4.403 4.279 4.476 . 0 0 "[ . 1]" 1
909 1 108 GLU H 1 110 ASP H . . 5.000 4.114 3.920 4.377 . 0 0 "[ . 1]" 1
910 1 108 GLU H 1 111 ALA MB . . 6.000 4.716 4.407 5.138 . 0 0 "[ . 1]" 1
911 1 108 GLU HA 1 111 ALA H . . 4.000 3.289 3.022 3.581 . 0 0 "[ . 1]" 1
912 1 108 GLU HA 1 111 ALA MB . . 5.000 2.519 2.099 3.058 . 0 0 "[ . 1]" 1
913 1 108 GLU QB 1 109 LEU H . . 5.600 2.680 2.395 2.841 . 0 0 "[ . 1]" 1
914 1 108 GLU QB 1 109 LEU QB . . 5.200 4.087 3.753 4.476 . 0 0 "[ . 1]" 1
915 1 108 GLU QB 1 112 ILE QG . . 7.000 3.878 3.149 4.581 . 0 0 "[ . 1]" 1
916 1 108 GLU QB 1 112 ILE MD . . 7.000 3.530 2.838 3.930 . 0 0 "[ . 1]" 1
917 1 108 GLU QG 1 112 ILE MD . . 7.000 3.720 2.494 5.065 . 0 0 "[ . 1]" 1
918 1 109 LEU HA 1 112 ILE H . . 4.000 3.288 3.177 3.591 . 0 0 "[ . 1]" 1
919 1 109 LEU HA 1 112 ILE HB . . 4.000 2.570 2.331 2.853 . 0 0 "[ . 1]" 1
920 1 109 LEU HA 1 112 ILE MG . . 6.000 3.921 3.741 4.158 . 0 0 "[ . 1]" 1
921 1 109 LEU HA 1 112 ILE MD . . 6.000 2.178 2.069 2.730 . 0 0 "[ . 1]" 1
922 1 109 LEU HB2 1 110 ASP H . . 4.000 3.741 2.679 3.950 . 0 0 "[ . 1]" 1
923 1 109 LEU HB3 1 110 ASP H . . 4.000 2.628 2.429 3.008 . 0 0 "[ . 1]" 1
924 1 109 LEU QB 1 110 ASP QB . . 6.200 3.993 3.680 4.275 . 0 0 "[ . 1]" 1
925 1 109 LEU MD1 1 113 THR MG . . 7.000 4.499 2.951 4.742 . 0 0 "[ . 1]" 1
926 1 109 LEU MD2 1 113 THR MG . . 7.000 4.764 4.736 4.830 . 0 0 "[ . 1]" 1
927 1 110 ASP H 1 111 ALA H . . 5.000 2.682 2.564 2.794 . 0 0 "[ . 1]" 1
928 1 110 ASP H 1 112 ILE H . . 5.000 4.163 3.962 4.345 . 0 0 "[ . 1]" 1
929 1 110 ASP H 1 113 THR HB . . 5.000 5.417 5.184 6.393 1.393 2 1 "[ + . 1]" 1
930 1 110 ASP HA 1 111 ALA H . . 5.000 3.532 3.504 3.558 . 0 0 "[ . 1]" 1
931 1 110 ASP HA 1 113 THR H . . 5.000 3.441 3.258 3.619 . 0 0 "[ . 1]" 1
932 1 110 ASP HA 1 113 THR MG . . 6.000 3.990 3.176 4.281 . 0 0 "[ . 1]" 1
933 1 110 ASP HA 1 114 GLU QB . . 6.000 4.676 4.263 5.511 . 0 0 "[ . 1]" 1
934 1 110 ASP QB 1 111 ALA H . . 5.000 2.543 2.366 2.859 . 0 0 "[ . 1]" 1
935 1 110 ASP QB 1 113 THR HB . . 5.000 4.819 4.560 5.631 0.631 2 1 "[ + . 1]" 1
936 1 111 ALA H 1 113 THR HB . . 5.000 5.479 5.217 6.661 1.661 2 2 "[ + - 1]" 1
937 1 111 ALA HA 1 112 ILE H . . 4.000 3.552 3.522 3.576 . 0 0 "[ . 1]" 1
938 1 111 ALA HA 1 114 GLU HB2 . . 5.000 3.797 2.767 5.031 0.031 3 0 "[ . 1]" 1
939 1 111 ALA HA 1 114 GLU HB3 . . 5.000 3.231 2.472 4.525 . 0 0 "[ . 1]" 1
940 1 111 ALA HA 1 114 GLU QG . . 6.000 3.962 2.090 5.105 . 0 0 "[ . 1]" 1
941 1 111 ALA HA 1 115 LYS H . . 5.000 3.936 3.778 4.250 . 0 0 "[ . 1]" 1
942 1 111 ALA MB 1 112 ILE H . . 6.000 2.432 2.318 2.601 . 0 0 "[ . 1]" 1
943 1 111 ALA MB 1 112 ILE QG . . 7.000 3.154 3.084 3.195 . 0 0 "[ . 1]" 1
944 1 112 ILE H 1 112 ILE HB . . 4.000 2.517 2.444 2.597 . 0 0 "[ . 1]" 1
945 1 112 ILE H 1 113 THR H . . 4.000 2.761 2.617 2.891 . 0 0 "[ . 1]" 1
946 1 112 ILE HB 1 113 THR H . . 4.000 2.414 2.285 2.573 . 0 0 "[ . 1]" 1
947 1 112 ILE QG 1 115 LYS H . . 6.000 5.405 5.218 5.587 . 0 0 "[ . 1]" 1
948 1 112 ILE MG 1 113 THR H . . 6.000 3.215 3.121 3.337 . 0 0 "[ . 1]" 1
949 1 112 ILE MG 1 116 LEU QB . . 7.000 4.232 3.593 4.786 . 0 0 "[ . 1]" 1
950 1 112 ILE MG 1 116 LEU HG . . 6.000 3.182 2.648 4.791 . 0 0 "[ . 1]" 1
951 1 112 ILE MG 1 116 LEU MD1 . . 7.000 2.657 1.992 4.309 . 0 0 "[ . 1]" 1
952 1 112 ILE MG 1 116 LEU MD2 . . 7.000 3.440 2.533 4.161 . 0 0 "[ . 1]" 1
953 1 113 THR H 1 114 GLU H . . 4.000 2.741 2.691 2.861 . 0 0 "[ . 1]" 1
954 1 113 THR HA 1 116 LEU H . . 4.000 3.799 3.657 3.918 . 0 0 "[ . 1]" 1
955 1 113 THR HA 1 116 LEU QB . . 5.000 3.364 3.056 3.774 . 0 0 "[ . 1]" 1
956 1 113 THR HA 1 116 LEU QD . . 7.400 2.858 2.177 3.615 . 0 0 "[ . 1]" 1
957 1 113 THR HB 1 114 GLU QB . . 5.600 4.105 3.791 4.812 . 0 0 "[ . 1]" 1
958 1 113 THR MG 1 116 LEU QD . . 8.400 3.947 3.356 4.625 . 0 0 "[ . 1]" 1
959 1 114 GLU H 1 114 GLU HB2 . . 4.000 2.732 2.447 3.651 . 0 0 "[ . 1]" 1
960 1 114 GLU H 1 114 GLU HB3 . . 4.000 2.655 2.447 3.584 . 0 0 "[ . 1]" 1
961 1 114 GLU H 1 115 LYS H . . 4.000 2.642 2.571 2.705 . 0 0 "[ . 1]" 1
962 1 114 GLU HA 1 115 LYS H . . 5.000 3.535 3.508 3.549 . 0 0 "[ . 1]" 1
963 1 114 GLU HA 1 117 ALA H . . 4.000 3.511 3.223 3.720 . 0 0 "[ . 1]" 1
964 1 114 GLU HA 1 118 LYS QB . . 5.000 5.175 4.324 5.881 0.881 1 3 "[+ * . - 1]" 1
965 1 114 GLU HB2 1 115 LYS H . . 5.000 3.718 2.594 3.973 . 0 0 "[ . 1]" 1
966 1 114 GLU HB3 1 115 LYS H . . 5.000 2.969 2.406 4.042 . 0 0 "[ . 1]" 1
967 1 114 GLU QB 1 115 LYS HA . . 5.600 4.111 3.792 4.465 . 0 0 "[ . 1]" 1
968 1 114 GLU QB 1 118 LYS QB . . 5.000 5.124 3.758 6.420 1.420 1 3 "[+ -* 1]" 1
969 1 114 GLU QG 1 117 ALA MB . . 7.000 3.932 3.108 5.107 . 0 0 "[ . 1]" 1
970 1 114 GLU QG 1 118 LYS QB . . 7.000 4.424 2.706 6.002 . 0 0 "[ . 1]" 1
971 1 114 GLU QG 1 118 LYS QD . . 7.000 4.059 2.333 6.442 . 0 0 "[ . 1]" 1
972 1 115 LYS H 1 116 LEU H . . 4.000 2.824 2.710 2.965 . 0 0 "[ . 1]" 1
973 1 115 LYS H 1 118 LYS QB . . 5.000 5.212 4.261 6.273 1.273 1 3 "[+* - 1]" 1
974 1 115 LYS QB 1 116 LEU H . . 4.600 2.471 2.273 2.685 . 0 0 "[ . 1]" 1
975 1 115 LYS QB 1 116 LEU HA . . 5.600 3.988 3.734 4.294 . 0 0 "[ . 1]" 1
976 1 116 LEU H 1 116 LEU HB2 . . 4.000 2.469 2.396 2.550 . 0 0 "[ . 1]" 1
977 1 116 LEU H 1 116 LEU HB3 . . 4.000 3.588 3.574 3.609 . 0 0 "[ . 1]" 1
978 1 116 LEU H 1 116 LEU HG . . 5.000 2.427 2.068 4.014 . 0 0 "[ . 1]" 1
979 1 116 LEU H 1 117 ALA H . . 4.000 2.648 2.543 2.744 . 0 0 "[ . 1]" 1
980 1 116 LEU H 1 117 ALA MB . . 6.000 4.307 4.228 4.405 . 0 0 "[ . 1]" 1
981 1 116 LEU HA 1 119 LEU QD . . 7.400 2.772 1.894 3.472 . 0 0 "[ . 1]" 1
982 1 116 LEU QB 1 119 LEU H . . 6.000 4.435 4.296 4.537 . 0 0 "[ . 1]" 1
983 1 116 LEU QB 1 119 LEU HB2 . . 6.000 4.339 3.909 4.832 . 0 0 "[ . 1]" 1
984 1 116 LEU QB 1 119 LEU HB3 . . 6.000 4.578 3.663 5.583 . 0 0 "[ . 1]" 1
985 1 117 ALA H 1 118 LYS H . . 4.000 2.631 2.520 2.726 . 0 0 "[ . 1]" 1
986 1 117 ALA HA 1 118 LYS H . . 4.000 3.510 3.478 3.527 . 0 0 "[ . 1]" 1
987 1 117 ALA MB 1 118 LYS H . . 6.000 2.558 2.505 2.596 . 0 0 "[ . 1]" 1
988 1 118 LYS H 1 118 LYS QD . . 6.000 4.007 3.619 4.761 . 0 0 "[ . 1]" 1
989 1 118 LYS H 1 119 LEU H . . 3.000 2.396 2.071 2.587 . 0 0 "[ . 1]" 1
990 1 118 LYS QB 1 120 GLU H . . 5.000 4.409 4.225 4.521 . 0 0 "[ . 1]" 1
991 1 118 LYS QG 1 119 LEU HG . . 6.000 6.076 5.023 7.091 1.091 4 4 "[* +.* -1]" 1
992 1 119 LEU H 1 119 LEU HB2 . . 4.000 2.393 2.235 2.495 . 0 0 "[ . 1]" 1
993 1 119 LEU H 1 119 LEU HB3 . . 4.000 3.040 2.497 3.662 . 0 0 "[ . 1]" 1
994 1 119 LEU H 1 119 LEU HG . . 5.000 3.811 2.533 4.564 . 0 0 "[ . 1]" 1
995 1 119 LEU HA 1 120 GLU H . . 3.000 2.990 2.884 3.110 0.110 6 0 "[ . 1]" 1
996 1 119 LEU QD 1 120 GLU H . . 7.400 4.325 4.207 4.395 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 90
_Distance_constraint_stats_list.Viol_count 823
_Distance_constraint_stats_list.Viol_total 3120.805
_Distance_constraint_stats_list.Viol_max 1.715
_Distance_constraint_stats_list.Viol_rms 0.3449
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3468
_Distance_constraint_stats_list.Viol_average_violations_only 0.3792
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 21 ASP 27.197 1.715 6 10 [*-***+****]
1 22 ALA 5.421 0.693 2 1 "[ + . 1]"
1 23 ASP 3.400 1.074 3 1 "[ + . 1]"
1 24 VAL 10.034 1.497 8 4 "[ * .- +*1]"
1 25 LYS 33.748 1.715 6 10 [*****+****]
1 26 LYS 9.698 0.693 2 2 "[ + . -1]"
1 27 ARG 16.193 1.388 1 7 "[+** *- * *]"
1 28 TRP 29.095 1.670 5 9 "[* **+-****]"
1 29 ASP 6.551 1.181 9 3 "[ .-* +1]"
1 30 ALA 4.277 0.516 9 1 "[ . +1]"
1 31 PHE 12.792 1.388 1 6 "[+* *- * *]"
1 32 THR 19.061 1.670 5 9 "[* -*+*****]"
1 44 GLY 1.219 0.146 5 0 "[ . 1]"
1 45 LYS 9.069 0.631 9 8 "[-* ** **+*]"
1 46 ASN 4.328 0.776 4 2 "[ +. -]"
1 47 PHE 3.772 0.446 1 0 "[ . 1]"
1 48 ASP 4.510 0.479 9 0 "[ . 1]"
1 49 LYS 9.069 0.631 9 8 "[-* ** **+*]"
1 50 TRP 4.328 0.776 4 2 "[ +. -]"
1 51 LEU 3.772 0.446 1 0 "[ . 1]"
1 52 LYS 3.291 0.479 9 0 "[ . 1]"
1 65 THR 12.127 1.220 3 6 "[-*+ * * *]"
1 66 MET 8.725 0.973 6 3 "[ -+* 1]"
1 67 THR 3.535 0.576 1 1 "[+ . 1]"
1 68 GLY 4.691 0.389 10 0 "[ . 1]"
1 69 ILE 18.765 1.220 3 7 "[**+ * * -*]"
1 70 ALA 14.309 0.973 6 4 "[ * *+* 1]"
1 71 PHE 8.358 0.581 8 2 "[- . + 1]"
1 72 SER 4.691 0.389 10 0 "[ . 1]"
1 73 LYS 6.638 0.531 7 3 "[ * . + -1]"
1 74 VAL 5.584 0.541 3 2 "[ + .- 1]"
1 75 THR 4.823 0.581 8 2 "[- . + 1]"
1 83 PHE 12.888 1.426 6 5 "[ *+ -**]"
1 84 ASP 4.329 0.574 3 2 "[ + . - 1]"
1 85 GLU 5.263 0.630 7 1 "[ . + 1]"
1 86 THR 8.273 0.611 2 4 "[ + *. * -]"
1 87 LYS 22.738 1.426 6 8 "[ ****+ -**]"
1 88 LYS 6.172 0.574 3 2 "[ + . - 1]"
1 89 VAL 8.545 0.630 7 1 "[ . + 1]"
1 90 LEU 18.148 0.611 2 8 "[ + *-*****]"
1 91 ALA 12.461 0.584 6 8 "[ ****+ -**]"
1 92 PHE 7.135 0.528 4 1 "[ +. 1]"
1 93 VAL 17.523 1.664 1 6 "[+ **.** -1]"
1 94 ALA 13.993 0.579 9 10 [****-***+*]
1 95 GLU 3.623 0.389 5 0 "[ . 1]"
1 96 ASP 19.033 1.393 1 4 "[+ -. **1]"
1 97 ARG 26.023 1.664 1 8 "[+ ******-1]"
1 98 ALA 7.750 0.551 3 2 "[- + . 1]"
1 99 ARG 1.012 0.175 10 0 "[ . 1]"
1 100 GLN 13.741 1.393 1 4 "[+ *. *-1]"
1 101 SER 11.782 0.968 8 6 "[* *-* *+ 1]"
1 102 LYS 3.632 0.438 10 0 "[ . 1]"
1 105 ILE 6.251 0.891 5 2 "[ + - 1]"
1 106 GLN 2.677 0.481 2 0 "[ . 1]"
1 107 ASP 7.465 0.588 10 5 "[ * *.* - +]"
1 108 GLU 2.593 0.404 10 0 "[ . 1]"
1 109 LEU 6.875 0.891 5 2 "[ + - 1]"
1 110 ASP 5.339 0.481 2 0 "[ . 1]"
1 111 ALA 10.046 0.588 10 5 "[ * *.* - +]"
1 112 ILE 9.940 0.623 7 3 "[ . +* -]"
1 113 THR 11.935 0.793 3 8 "[*-+*. ****]"
1 114 GLU 2.662 0.309 2 0 "[ . 1]"
1 115 LYS 2.581 0.489 2 0 "[ . 1]"
1 116 LEU 7.347 0.623 7 3 "[ . +* -]"
1 117 ALA 11.311 0.793 3 8 "[*-+*. ****]"
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 21 ASP O 1 25 LYS N . . 2.700 4.077 3.742 4.415 1.715 6 10 [*-***+****] 2
2 1 21 ASP O 1 25 LYS H . . 1.800 3.143 2.794 3.449 1.649 6 10 [*-***+****] 2
3 1 22 ALA O 1 26 LYS N . . 2.700 2.980 2.772 3.393 0.693 2 1 "[ + . 1]" 2
4 1 22 ALA O 1 26 LYS H . . 1.800 2.062 1.842 2.435 0.635 2 1 "[ + . 1]" 2
5 1 23 ASP O 1 27 ARG N . . 2.700 2.865 2.596 3.771 1.071 3 1 "[ + . 1]" 2
6 1 23 ASP O 1 27 ARG H . . 1.800 1.919 1.664 2.874 1.074 3 1 "[ + . 1]" 2
7 1 24 VAL O 1 28 TRP N . . 2.700 3.215 2.817 4.167 1.467 8 4 "[ * .- +*1]" 2
8 1 24 VAL O 1 28 TRP H . . 1.800 2.288 1.850 3.297 1.497 8 4 "[ * .- +*1]" 2
9 1 25 LYS O 1 29 ASP N . . 2.700 3.027 2.668 3.791 1.091 9 3 "[ .-* +1]" 2
10 1 25 LYS O 1 29 ASP H . . 1.800 2.112 1.745 2.981 1.181 9 3 "[ .-* +1]" 2
11 1 26 LYS O 1 30 ALA N . . 2.700 2.913 2.635 3.187 0.487 9 0 "[ . 1]" 2
12 1 26 LYS O 1 30 ALA H . . 1.800 1.991 1.663 2.316 0.516 9 1 "[ . +1]" 2
13 1 27 ARG O 1 31 PHE N . . 2.700 3.355 2.801 4.046 1.346 1 6 "[+- ** * *]" 2
14 1 27 ARG O 1 31 PHE H . . 1.800 2.424 1.829 3.188 1.388 1 5 "[+ *- * *]" 2
15 1 28 TRP O 1 32 THR N . . 2.700 3.609 3.047 4.310 1.610 6 8 "[* **+-***]" 2
16 1 28 TRP O 1 32 THR H . . 1.800 2.797 2.265 3.470 1.670 5 9 "[* -*+*****]" 2
17 1 44 GLY O 1 48 ASP N . . 2.700 2.773 2.704 2.846 0.146 5 0 "[ . 1]" 2
18 1 44 GLY O 1 48 ASP H . . 1.800 1.839 1.719 1.928 0.128 5 0 "[ . 1]" 2
19 1 45 LYS O 1 49 LYS N . . 2.700 3.086 2.874 3.272 0.572 5 2 "[ + - 1]" 2
20 1 45 LYS O 1 49 LYS H . . 1.800 2.321 2.096 2.431 0.631 9 8 "[-* ** **+*]" 2
21 1 46 ASN O 1 50 TRP N . . 2.700 2.938 2.698 3.476 0.776 4 2 "[ +. -]" 2
22 1 46 ASN O 1 50 TRP H . . 1.800 1.980 1.718 2.547 0.747 4 2 "[ +. -]" 2
23 1 47 PHE O 1 51 LEU N . . 2.700 2.867 2.726 3.055 0.355 1 0 "[ . 1]" 2
24 1 47 PHE O 1 51 LEU H . . 1.800 2.010 1.851 2.246 0.446 1 0 "[ . 1]" 2
25 1 48 ASP O 1 52 LYS N . . 2.700 2.856 2.695 3.110 0.410 9 0 "[ . 1]" 2
26 1 48 ASP O 1 52 LYS H . . 1.800 1.967 1.747 2.279 0.479 9 0 "[ . 1]" 2
27 1 65 THR O 1 69 ILE N . . 2.700 3.318 2.919 3.877 1.177 3 6 "[-*+ * * *]" 2
28 1 65 THR O 1 69 ILE H . . 1.800 2.394 1.970 3.020 1.220 3 6 "[-*+ * * *]" 2
29 1 66 MET O 1 70 ALA N . . 2.700 3.153 2.880 3.673 0.973 6 3 "[ -+* 1]" 2
30 1 66 MET O 1 70 ALA H . . 1.800 2.219 1.909 2.718 0.918 6 3 "[ -+* 1]" 2
31 1 67 THR O 1 71 PHE N . . 2.700 2.907 2.689 3.276 0.576 1 1 "[+ . 1]" 2
32 1 67 THR O 1 71 PHE H . . 1.800 1.938 1.743 2.304 0.504 1 1 "[+ . 1]" 2
33 1 68 GLY O 1 72 SER N . . 2.700 2.949 2.786 3.089 0.389 10 0 "[ . 1]" 2
34 1 68 GLY O 1 72 SER H . . 1.800 2.020 1.848 2.169 0.369 10 0 "[ . 1]" 2
35 1 69 ILE O 1 73 LYS N . . 2.700 2.985 2.845 3.195 0.495 7 0 "[ . 1]" 2
36 1 69 ILE O 1 73 LYS H . . 1.800 2.179 1.935 2.331 0.531 7 3 "[ * . + -1]" 2
37 1 70 ALA O 1 74 VAL N . . 2.700 2.974 2.803 3.206 0.506 6 1 "[ .+ 1]" 2
38 1 70 ALA O 1 74 VAL H . . 1.800 2.084 1.827 2.341 0.541 3 2 "[ + .- 1]" 2
39 1 71 PHE O 1 75 THR N . . 2.700 2.930 2.557 3.281 0.581 8 1 "[ . + 1]" 2
40 1 71 PHE O 1 75 THR H . . 1.800 2.011 1.610 2.315 0.515 8 2 "[- . + 1]" 2
41 1 83 PHE O 1 87 LYS N . . 2.700 3.368 2.712 4.126 1.426 6 5 "[ *+ -**]" 2
42 1 83 PHE O 1 87 LYS H . . 1.800 2.414 1.729 3.179 1.379 6 5 "[ *+ -**]" 2
43 1 84 ASP O 1 88 LYS N . . 2.700 2.910 2.666 3.266 0.566 3 1 "[ + . 1]" 2
44 1 84 ASP O 1 88 LYS H . . 1.800 2.010 1.736 2.374 0.574 3 2 "[ + . - 1]" 2
45 1 85 GLU O 1 89 VAL N . . 2.700 2.981 2.656 3.330 0.630 7 1 "[ . + 1]" 2
46 1 85 GLU O 1 89 VAL H . . 1.800 2.023 1.675 2.368 0.568 7 1 "[ . + 1]" 2
47 1 86 THR O 1 90 LEU N . . 2.700 3.145 2.833 3.311 0.611 2 4 "[ + -. * *]" 2
48 1 86 THR O 1 90 LEU H . . 1.800 2.182 1.897 2.335 0.535 2 3 "[ + . * -]" 2
49 1 87 LYS O 1 91 ALA N . . 2.700 3.180 2.931 3.274 0.574 6 5 "[ * *+ -*]" 2
50 1 87 LYS O 1 91 ALA H . . 1.800 2.305 2.057 2.384 0.584 6 8 "[ ****+ -**]" 2
51 1 88 LYS O 1 92 PHE N . . 2.700 2.810 2.727 2.939 0.239 7 0 "[ . 1]" 2
52 1 88 LYS O 1 92 PHE H . . 1.800 1.873 1.788 2.031 0.231 2 0 "[ . 1]" 2
53 1 89 VAL O 1 93 VAL N . . 2.700 2.895 2.694 3.125 0.425 7 0 "[ . 1]" 2
54 1 89 VAL O 1 93 VAL H . . 1.800 1.926 1.732 2.153 0.353 7 0 "[ . 1]" 2
55 1 90 LEU O 1 94 ALA N . . 2.700 3.207 3.074 3.279 0.579 9 8 "[ * *-***+*]" 2
56 1 90 LEU O 1 94 ALA H . . 1.800 2.280 2.136 2.343 0.543 9 7 "[ * *- **+*]" 2
57 1 91 ALA O 1 95 GLU N . . 2.700 2.825 2.690 3.035 0.335 5 0 "[ . 1]" 2
58 1 91 ALA O 1 95 GLU H . . 1.800 1.928 1.754 2.189 0.389 5 0 "[ . 1]" 2
59 1 92 PHE O 1 96 ASP N . . 2.700 2.986 2.758 3.228 0.528 4 1 "[ +. 1]" 2
60 1 92 PHE O 1 96 ASP H . . 1.800 2.042 1.786 2.316 0.516 4 1 "[ +. 1]" 2
61 1 93 VAL O 1 97 ARG N . . 2.700 3.426 2.865 4.341 1.641 1 6 "[+ **.** -1]" 2
62 1 93 VAL O 1 97 ARG H . . 1.800 2.498 1.934 3.464 1.664 1 6 "[+ **.** -1]" 2
63 1 94 ALA O 1 98 ALA N . . 2.700 2.894 2.620 3.251 0.551 3 2 "[- + . 1]" 2
64 1 94 ALA O 1 98 ALA H . . 1.800 1.973 1.652 2.346 0.546 1 1 "[+ . 1]" 2
65 1 95 GLU O 1 99 ARG N . . 2.700 2.753 2.603 2.875 0.175 10 0 "[ . 1]" 2
66 1 95 GLU O 1 99 ARG H . . 1.800 1.795 1.649 1.896 0.096 10 0 "[ . 1]" 2
67 1 96 ASP O 1 100 GLN N . . 2.700 3.377 2.871 3.971 1.271 1 4 "[+ *. *-1]" 2
68 1 96 ASP O 1 100 GLN H . . 1.800 2.498 1.944 3.193 1.393 1 4 "[+ *. *-1]" 2
69 1 97 ARG O 1 101 SER N . . 2.700 3.248 2.791 3.668 0.968 8 5 "[* * - *+ 1]" 2
70 1 97 ARG O 1 101 SER H . . 1.800 2.431 1.854 2.766 0.966 7 6 "[* *-* +* 1]" 2
71 1 98 ALA O 1 102 LYS N . . 2.700 2.796 2.630 3.030 0.330 6 0 "[ . 1]" 2
72 1 98 ALA O 1 102 LYS H . . 1.800 2.057 1.850 2.238 0.438 10 0 "[ . 1]" 2
73 1 105 ILE O 1 109 LEU N . . 2.700 3.036 2.760 3.591 0.891 5 2 "[ + - 1]" 2
74 1 105 ILE O 1 109 LEU H . . 1.800 2.088 1.785 2.648 0.848 5 2 "[ + - 1]" 2
75 1 106 GLN O 1 110 ASP N . . 2.700 2.849 2.652 3.181 0.481 2 0 "[ . 1]" 2
76 1 106 GLN O 1 110 ASP H . . 1.800 1.909 1.757 2.256 0.456 2 0 "[ . 1]" 2
77 1 107 ASP O 1 111 ALA N . . 2.700 3.080 2.793 3.288 0.588 10 5 "[ - *.* * +]" 2
78 1 107 ASP O 1 111 ALA H . . 1.800 2.166 1.853 2.346 0.546 10 5 "[ * *.* - +]" 2
79 1 108 GLU O 1 112 ILE N . . 2.700 2.846 2.674 3.104 0.404 10 0 "[ . 1]" 2
80 1 108 GLU O 1 112 ILE H . . 1.800 1.895 1.698 2.201 0.401 10 0 "[ . 1]" 2
81 1 109 LEU O 1 113 THR N . . 2.700 2.747 2.700 2.864 0.164 1 0 "[ . 1]" 2
82 1 109 LEU O 1 113 THR H . . 1.800 1.787 1.733 1.886 0.086 1 0 "[ . 1]" 2
83 1 110 ASP O 1 114 GLU N . . 2.700 2.851 2.723 3.009 0.309 2 0 "[ . 1]" 2
84 1 110 ASP O 1 114 GLU H . . 1.800 1.912 1.772 2.106 0.306 2 0 "[ . 1]" 2
85 1 111 ALA O 1 115 LYS N . . 2.700 2.822 2.612 3.189 0.489 2 0 "[ . 1]" 2
86 1 111 ALA O 1 115 LYS H . . 1.800 1.913 1.668 2.280 0.480 2 0 "[ . 1]" 2
87 1 112 ILE O 1 116 LEU N . . 2.700 3.090 2.839 3.323 0.623 7 3 "[ . +* -]" 2
88 1 112 ILE O 1 116 LEU H . . 1.800 2.145 1.872 2.374 0.574 7 3 "[ . +* -]" 2
89 1 113 THR O 1 117 ALA N . . 2.700 3.266 3.016 3.493 0.793 3 7 "[ *+*. ***-]" 2
90 1 113 THR O 1 117 ALA H . . 1.800 2.365 2.149 2.591 0.791 3 7 "[*-+*. ***1]" 2
stop_
save_
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