NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
565048 |
2maz   |
6699 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2maz
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 490
_Distance_constraint_stats_list.Viol_count 2140
_Distance_constraint_stats_list.Viol_total 16355.489
_Distance_constraint_stats_list.Viol_max 1.636
_Distance_constraint_stats_list.Viol_rms 0.2208
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0834
_Distance_constraint_stats_list.Viol_average_violations_only 0.3821
_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 1 LYS 10.136 0.820 12 4 "[ * . 1 +* .- 2]"
1 2 SER 59.186 1.575 9 20 [********+**********-]
1 3 PRO 5.587 0.788 14 1 "[ . 1 +. 2]"
1 4 GLU 0.416 0.233 8 0 "[ . 1 . 2]"
1 5 GLU 30.549 1.164 16 6 "[ * .** 1 * .+ -]"
1 6 LEU 58.451 1.575 9 20 [**-*****+***********]
1 7 LYS 34.216 0.993 17 15 "[ ** *****1*-*** +* *]"
1 8 GLY 28.253 1.518 7 19 "[- ****+*************]"
1 9 ILE 61.818 1.518 7 20 [******+****-********]
1 10 PHE 19.581 0.742 19 7 "[ - . * 1* * . **+2]"
1 11 GLU 21.934 1.220 8 7 "[ * - + * * . ** 2]"
1 12 LYS 19.406 0.643 5 5 "[ - + * 1 . * *]"
1 13 TYR 19.337 0.893 18 13 "[ ***.****** *-. +*2]"
1 14 ALA 49.211 1.361 19 14 "[ **** *** -**** +*]"
1 15 ALA 23.145 0.606 7 10 "[ *- * +* * **. * *]"
1 16 LYS 15.291 1.636 11 19 "[**********+ ***-****]"
1 17 GLU 29.133 1.636 11 20 [**********+****-****]
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASP 2.160 0.848 18 2 "[ . -1 . + 2]"
1 20 PRO 19.600 0.880 17 12 "[ ********1 -*. + *2]"
1 21 ASN 11.815 1.361 19 9 "[* . - *** ** +*]"
1 22 GLN 51.195 1.233 14 19 "[ ************+-*****]"
1 23 LEU 32.530 1.012 15 19 [*-**.*********+*****]
1 24 SER 14.481 1.021 5 8 "[ **+ *** *- 2]"
1 25 LYS 40.508 1.189 17 17 "[ ***.***********+ -*]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 42.496 1.152 17 20 [*-**************+***]
1 28 LEU 82.223 1.378 18 20 [*****************+-*]
1 29 LYS 21.105 1.378 18 13 "[* * **- ***** .* + *]"
1 30 LEU 13.002 0.535 6 2 "[ .+- 1 . 2]"
1 31 LEU 17.812 1.023 6 8 "[- **.+ 1 *** *2]"
1 32 LEU 25.716 1.272 11 16 "[ ****** -+***** ***]"
1 33 GLN 5.255 0.492 20 0 "[ . 1 . 2]"
1 34 THR 9.378 0.901 3 2 "[ + .- 1 . 2]"
1 35 GLU 11.175 1.023 6 5 "[- .+ 1 * * *2]"
1 36 PHE 21.522 1.272 11 15 "[ ******* -+ **** **2]"
1 37 PRO 6.418 0.901 3 4 "[ + . * . *-2]"
1 38 SER 6.213 0.835 15 3 "[ .* - 1 + 2]"
1 39 LEU 8.301 1.107 18 4 "[ * . - 1 * + 2]"
1 40 LEU 28.807 1.624 8 14 "[ * **-+** ***.* ***]"
1 41 LYS 12.120 1.123 11 11 "[ **.* -1+* ** ***]"
1 42 GLY 8.772 0.824 4 6 "[ +. 1* * **-2]"
1 43 MET 24.802 1.624 8 15 "[ ** .**+-1****** ***]"
1 44 SER 4.878 0.716 18 4 "[ . 1 * *+-2]"
1 45 THR 72.488 1.121 10 19 "[******** +******-***]"
1 46 LEU 1.552 0.202 13 0 "[ . 1 . 2]"
1 47 ASP 35.503 0.785 7 17 "[ * ***+* *******-***]"
1 48 GLU 64.648 1.054 11 20 [**********+******-**]
1 49 LEU 36.870 1.121 10 17 "[**-*.** +**********]"
1 50 PHE 9.500 0.818 9 6 "[ * . +1 - . ** *]"
1 51 GLU 15.743 0.785 7 7 "[ ** +* - * *2]"
1 52 GLU 20.984 1.513 18 13 "[ * *. ** 1****-* +**]"
1 53 LEU 19.976 1.244 14 16 "[* ****** ** +-*****]"
1 54 ASP 17.918 1.257 2 8 "[ +* * *- 1 * * * 2]"
1 55 LYS 23.902 1.513 18 13 "[ **-. * ******* +*2]"
1 56 ASN 3.298 1.408 20 2 "[ . 1 . -+]"
1 57 GLY 11.192 0.931 3 7 "[ *+-. **** . 2]"
1 58 ASP 3.719 1.408 20 2 "[ . 1 . -+]"
1 59 GLY 3.406 1.189 17 1 "[ . 1 . + 2]"
1 60 GLU 26.871 1.257 2 18 "[ +*********** -*****]"
1 61 VAL 66.877 1.322 7 19 "[******+*** ***-*****]"
1 62 SER 2.421 0.474 3 0 "[ . 1 . 2]"
1 63 PHE 22.360 1.233 14 12 "[* * .*- **** +** *]"
1 64 GLU 9.673 1.134 15 4 "[ . * 1* - + 2]"
1 65 GLU 7.387 1.059 9 5 "[*** . +1 - 2]"
1 66 PHE 4.202 0.855 6 3 "[ * .+ 1 . - 2]"
1 67 GLN 6.435 0.343 6 0 "[ . 1 . 2]"
1 68 VAL 16.978 1.280 7 7 "[ * *. +* 1* - * 2]"
1 69 LEU 19.151 1.244 14 16 "[* ****** ** +-*****]"
1 70 VAL 29.352 1.208 16 19 "[**-******* ****+****]"
1 71 LYS 3.425 1.280 7 3 "[ * -. + 1 . 2]"
1 72 LYS 16.064 1.616 17 14 "[ * ** ***1* *-**+ **]"
1 73 ILE 28.217 1.208 16 20 [***********-***+****]
1 74 SER 6.500 0.950 13 5 "[ *.- * 1 + * 2]"
1 75 GLN 21.000 1.616 17 16 "[ **********-**+ **]"
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 32 LEU N 1 33 GLN CB . . 5.000 5.090 4.952 5.278 0.278 15 0 "[ . 1 . 2]" 1
2 1 13 TYR N 1 14 ALA CA . . 5.000 4.219 4.123 4.294 . 0 0 "[ . 1 . 2]" 1
3 1 33 GLN CB 1 34 THR N . . 5.000 3.443 3.336 3.550 . 0 0 "[ . 1 . 2]" 1
4 1 12 LYS CA 1 15 ALA N . . 5.000 5.114 4.756 5.606 0.606 7 2 "[ . + 1 . -]" 1
5 1 16 LYS CG 1 17 GLU N . . 5.000 3.909 3.022 4.568 . 0 0 "[ . 1 . 2]" 1
6 1 16 LYS CB 1 17 GLU N . . 5.000 3.004 2.860 3.283 . 0 0 "[ . 1 . 2]" 1
7 1 17 GLU CG 1 18 GLY N . . 5.000 4.564 3.362 4.948 . 0 0 "[ . 1 . 2]" 1
8 1 15 ALA CA 1 16 LYS N . . 5.000 2.433 2.418 2.452 . 0 0 "[ . 1 . 2]" 1
9 1 3 PRO CA 1 5 GLU N . . 5.000 4.430 4.204 4.597 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLU N 1 6 LEU CB . . 5.000 4.844 4.755 4.995 . 0 0 "[ . 1 . 2]" 1
11 1 3 PRO CA 1 7 LYS N . . 5.000 4.964 4.413 5.788 0.788 14 1 "[ . 1 +. 2]" 1
12 1 3 PRO CA 1 6 LEU N . . 5.000 4.376 4.089 4.664 . 0 0 "[ . 1 . 2]" 1
13 1 2 SER CB 1 5 GLU N . . 5.000 5.021 4.254 5.470 0.470 7 0 "[ . 1 . 2]" 1
14 1 2 SER CB 1 4 GLU N . . 5.000 4.210 3.891 4.462 . 0 0 "[ . 1 . 2]" 1
15 1 8 GLY N 1 9 ILE CD1 . . 5.000 6.036 4.777 6.518 1.518 7 17 "[ **.*+***********-*]" 1
16 1 6 LEU N 1 9 ILE CD1 . . 5.000 5.055 4.412 6.039 1.039 8 3 "[ . -+ 1 . *2]" 1
17 1 2 SER N 1 5 GLU CG . . 5.520 5.426 4.381 6.515 0.995 16 5 "[ .** 1 * .+ -]" 1
18 1 2 SER N 1 6 LEU CB . . 5.530 6.320 5.540 6.626 1.096 2 15 "[*+****** ***-*. * *]" 1
19 1 2 SER N 1 3 PRO CD . . 5.000 4.224 4.091 4.337 . 0 0 "[ . 1 . 2]" 1
20 1 9 ILE CA 1 12 LYS N . . 5.000 4.753 4.428 5.092 0.092 5 0 "[ . 1 . 2]" 1
21 1 13 TYR N 1 14 ALA CB . . 5.000 4.939 4.794 5.046 0.046 17 0 "[ . 1 . 2]" 1
22 1 10 PHE CA 1 13 TYR N . . 5.000 4.908 4.617 5.188 0.188 7 0 "[ . 1 . 2]" 1
23 1 8 GLY N 1 11 GLU CG . . 5.000 4.601 4.232 6.220 1.220 8 1 "[ . + 1 . 2]" 1
24 1 9 ILE CA 1 13 TYR N . . 5.550 5.557 5.008 5.929 0.379 13 0 "[ . 1 . 2]" 1
25 1 8 GLY CA 1 12 LYS N . . 5.470 5.314 4.939 5.719 0.249 1 0 "[ . 1 . 2]" 1
26 1 8 GLY CA 1 11 GLU N . . 5.000 4.904 4.431 5.496 0.496 8 0 "[ . 1 . 2]" 1
27 1 7 LYS N 1 8 GLY CA . . 5.000 4.171 4.106 4.217 . 0 0 "[ . 1 . 2]" 1
28 1 12 LYS CG 1 13 TYR N . . 5.000 3.844 3.560 4.685 . 0 0 "[ . 1 . 2]" 1
29 1 7 LYS CG 1 11 GLU N . . 5.370 5.596 5.154 6.363 0.993 17 2 "[ . 1 - . + 2]" 1
30 1 9 ILE N 1 10 PHE CB . . 5.000 4.932 4.745 5.044 0.044 13 0 "[ . 1 . 2]" 1
31 1 6 LEU CA 1 9 ILE N . . 5.000 4.715 4.471 5.037 0.037 7 0 "[ . 1 . 2]" 1
32 1 4 GLU N 1 6 LEU CB . . 5.460 5.065 4.799 5.693 0.233 8 0 "[ . 1 . 2]" 1
33 1 5 GLU CG 1 6 LEU N . . 5.000 4.523 3.942 4.691 . 0 0 "[ . 1 . 2]" 1
34 1 4 GLU CB 1 5 GLU N . . 5.000 3.112 2.952 3.407 . 0 0 "[ . 1 . 2]" 1
35 1 3 PRO CB 1 4 GLU N . . 5.000 3.265 3.011 3.383 . 0 0 "[ . 1 . 2]" 1
36 1 3 PRO CA 1 4 GLU N . . 5.000 2.428 2.415 2.445 . 0 0 "[ . 1 . 2]" 1
37 1 3 PRO CD 1 4 GLU N . . 5.000 3.699 3.599 3.899 . 0 0 "[ . 1 . 2]" 1
38 1 2 SER N 1 6 LEU CD2 . . 5.000 6.147 4.469 6.575 1.575 9 18 "[***** *-+******* ***]" 1
39 1 2 SER N 1 5 GLU CA . . 5.690 5.887 5.117 6.511 0.821 16 4 "[ * . 1 * .+ -]" 1
40 1 1 LYS CG 1 2 SER N . . 5.000 3.322 3.036 3.829 . 0 0 "[ . 1 . 2]" 1
41 1 2 SER N 1 5 GLU CB . . 5.000 5.182 4.015 6.164 1.164 16 4 "[ * . 1 * .+ -]" 1
42 1 53 LEU N 1 54 ASP CB . . 5.000 5.092 4.933 5.217 0.217 6 0 "[ . 1 . 2]" 1
43 1 27 GLU CG 1 30 LEU N . . 6.000 6.116 5.645 6.475 0.475 11 0 "[ . 1 . 2]" 1
44 1 29 LYS CA 1 32 LEU N . . 5.000 4.543 4.180 5.291 0.291 20 0 "[ . 1 . 2]" 1
45 1 29 LYS CA 1 33 GLN N . . 5.000 5.087 4.697 5.492 0.492 20 0 "[ . 1 . 2]" 1
46 1 32 LEU CA 1 35 GLU N . . 5.000 4.851 4.461 5.113 0.113 15 0 "[ . 1 . 2]" 1
47 1 31 LEU CD2 1 35 GLU N . . 5.000 5.095 4.586 6.023 1.023 6 3 "[ .+ 1 - * 2]" 1
48 1 31 LEU CD2 1 36 PHE N . . 6.220 6.420 5.857 6.617 0.397 17 0 "[ . 1 . 2]" 1
49 1 32 LEU CB 1 35 GLU N . . 6.230 6.335 5.917 6.559 0.329 15 0 "[ . 1 . 2]" 1
50 1 35 GLU N 1 37 PRO CD . . 5.000 4.494 3.628 5.098 0.098 2 0 "[ . 1 . 2]" 1
51 1 36 PHE N 1 37 PRO CD . . 5.000 3.183 2.752 3.516 . 0 0 "[ . 1 . 2]" 1
52 1 32 LEU CD2 1 36 PHE N . . 5.000 5.626 4.999 6.272 1.272 11 14 "[ ****** -+ **** **2]" 1
53 1 36 PHE N 1 39 LEU CD1 . . 5.420 5.279 4.416 6.527 1.107 18 3 "[ - . * 1 . + 2]" 1
54 1 38 SER N 1 39 LEU CB . . 5.000 4.772 4.594 5.045 0.045 18 0 "[ . 1 . 2]" 1
55 1 34 THR CB 1 36 PHE N . . 5.820 5.808 5.595 5.992 0.172 13 0 "[ . 1 . 2]" 1
56 1 34 THR CA 1 36 PHE N . . 5.000 4.790 4.521 5.061 0.061 15 0 "[ . 1 . 2]" 1
57 1 37 PRO CA 1 39 LEU N . . 5.000 4.264 4.078 4.468 . 0 0 "[ . 1 . 2]" 1
58 1 37 PRO CA 1 40 LEU N . . 5.390 5.192 4.568 5.571 0.181 1 0 "[ . 1 . 2]" 1
59 1 40 LEU CB 1 42 GLY N . . 5.000 4.854 4.095 5.480 0.480 16 0 "[ . 1 . 2]" 1
60 1 40 LEU CB 1 43 MET N . . 5.000 5.442 4.333 6.624 1.624 8 9 "[ * .-*+*1 ***.* 2]" 1
61 1 45 THR N 1 46 LEU CB . . 5.000 4.945 4.542 5.156 0.156 15 0 "[ . 1 . 2]" 1
62 1 41 LYS CD 1 42 GLY N . . 5.000 4.695 3.462 5.824 0.824 4 2 "[ +. 1- . 2]" 1
63 1 42 GLY CA 1 44 SER N . . 5.180 4.940 4.052 5.896 0.716 18 4 "[ . 1 * *+-2]" 1
64 1 45 THR N 1 46 LEU CD1 . . 6.820 6.386 5.906 6.814 . 0 0 "[ . 1 . 2]" 1
65 1 45 THR N 1 48 GLU CB . . 5.000 4.741 4.220 5.202 0.202 16 0 "[ . 1 . 2]" 1
66 1 61 VAL CG1 1 66 PHE N . . 5.000 4.683 3.499 5.855 0.855 6 3 "[ * .+ 1 . - 2]" 1
67 1 67 GLN N 1 68 VAL CG1 . . 5.260 5.404 5.310 5.519 0.259 4 0 "[ . 1 . 2]" 1
68 1 67 GLN N 1 68 VAL CG2 . . 5.000 5.004 4.905 5.069 0.069 2 0 "[ . 1 . 2]" 1
69 1 67 GLN N 1 68 VAL CA . . 5.000 4.254 4.190 4.307 . 0 0 "[ . 1 . 2]" 1
70 1 68 VAL N 1 69 LEU CB . . 5.000 4.821 4.768 4.904 . 0 0 "[ . 1 . 2]" 1
71 1 65 GLU CA 1 68 VAL N . . 5.000 4.732 4.394 4.993 . 0 0 "[ . 1 . 2]" 1
72 1 67 GLN CB 1 69 LEU N . . 5.310 5.435 5.348 5.653 0.343 6 0 "[ . 1 . 2]" 1
73 1 70 VAL N 1 71 LYS CB . . 5.000 4.903 4.786 5.069 0.069 15 0 "[ . 1 . 2]" 1
74 1 67 GLN CA 1 70 VAL N . . 5.000 4.665 4.517 4.861 . 0 0 "[ . 1 . 2]" 1
75 1 69 LEU CA 1 71 LYS N . . 5.000 4.292 4.148 4.497 . 0 0 "[ . 1 . 2]" 1
76 1 72 LYS N 1 73 ILE CG2 . . 5.350 5.167 4.836 6.338 0.988 11 2 "[ - . 1+ . 2]" 1
77 1 70 VAL CA 1 73 ILE N . . 5.000 4.493 4.245 4.720 . 0 0 "[ . 1 . 2]" 1
78 1 73 ILE N 1 74 SER CB . . 5.000 4.818 4.667 5.054 0.054 11 0 "[ . 1 . 2]" 1
79 1 70 VAL CA 1 74 SER N . . 5.610 5.767 5.037 6.560 0.950 13 5 "[ *.- * 1 + * 2]" 1
80 1 73 ILE CA 1 75 GLN N . . 5.000 4.349 4.040 5.125 0.125 10 0 "[ . 1 . 2]" 1
81 1 73 ILE CG2 1 75 GLN N . . 5.540 5.976 5.678 6.275 0.735 14 8 "[ *.* **- +. **]" 1
82 1 51 GLU CB 1 54 ASP N . . 6.170 6.390 5.810 6.782 0.612 8 1 "[ . + 1 . 2]" 1
83 1 51 GLU CA 1 54 ASP N . . 5.000 4.912 4.353 5.337 0.337 8 0 "[ . 1 . 2]" 1
84 1 56 ASN N 1 57 GLY CA . . 5.000 4.140 3.982 4.436 . 0 0 "[ . 1 . 2]" 1
85 1 55 LYS CD 1 57 GLY N . . 5.920 6.085 4.780 6.851 0.931 3 6 "[ *+-. *** . 2]" 1
86 1 55 LYS CB 1 57 GLY N . . 5.320 5.534 5.259 6.182 0.862 13 1 "[ . 1 + . 2]" 1
87 1 55 LYS CA 1 57 GLY N . . 5.000 4.327 3.888 5.413 0.413 18 0 "[ . 1 . 2]" 1
88 1 17 GLU CB 1 18 GLY N . . 5.000 3.386 2.935 3.720 . 0 0 "[ . 1 . 2]" 1
89 1 17 GLU CA 1 18 GLY N . . 5.000 2.418 2.401 2.434 . 0 0 "[ . 1 . 2]" 1
90 1 7 LYS CB 1 8 GLY N . . 5.000 3.168 3.109 3.269 . 0 0 "[ . 1 . 2]" 1
91 1 8 GLY CA 1 10 PHE N . . 5.000 4.443 4.237 4.749 . 0 0 "[ . 1 . 2]" 1
92 1 8 GLY CA 1 9 ILE N . . 5.000 2.418 2.411 2.427 . 0 0 "[ . 1 . 2]" 1
93 1 4 GLU CA 1 5 GLU N . . 5.000 2.418 2.399 2.437 . 0 0 "[ . 1 . 2]" 1
94 1 5 GLU CB 1 7 LYS N . . 5.670 5.641 5.389 5.832 0.162 12 0 "[ . 1 . 2]" 1
95 1 5 GLU CB 1 6 LEU N . . 5.000 3.206 3.002 3.359 . 0 0 "[ . 1 . 2]" 1
96 1 7 LYS CG 1 8 GLY N . . 5.000 3.857 3.541 4.154 . 0 0 "[ . 1 . 2]" 1
97 1 24 SER CB 1 26 GLU N . . 5.000 4.326 3.696 4.942 . 0 0 "[ . 1 . 2]" 1
98 1 24 SER CB 1 27 GLU N . . 5.000 4.484 3.982 5.047 0.047 12 0 "[ . 1 . 2]" 1
99 1 25 LYS CB 1 28 LEU N . . 5.490 5.926 5.231 6.102 0.612 11 9 "[ * *. * 1+ **** -2]" 1
100 1 23 LEU CB 1 27 GLU N . . 5.930 6.135 5.568 6.589 0.659 1 7 "[+- *. ** 1 ** 2]" 1
101 1 23 LEU CB 1 28 LEU N . . 5.000 4.930 4.219 5.359 0.359 17 0 "[ . 1 . 2]" 1
102 1 28 LEU N 1 32 LEU CB . . 6.520 6.520 5.945 6.604 0.084 8 0 "[ . 1 . 2]" 1
103 1 25 LYS CB 1 27 GLU N . . 5.330 5.560 5.381 5.807 0.477 6 0 "[ . 1 . 2]" 1
104 1 25 LYS CA 1 28 LEU N . . 5.000 4.479 3.885 4.683 . 0 0 "[ . 1 . 2]" 1
105 1 1 LYS CB 1 6 LEU N . . 5.520 5.751 4.684 6.340 0.820 12 4 "[ * . 1 +* .- 2]" 1
106 1 4 GLU CB 1 6 LEU N . . 5.780 5.517 5.337 5.860 0.080 8 0 "[ . 1 . 2]" 1
107 1 6 LEU N 1 7 LYS CB . . 5.000 4.925 4.694 5.099 0.099 13 0 "[ . 1 . 2]" 1
108 1 73 ILE CD1 1 74 SER N . . 5.580 5.438 5.176 5.725 0.145 4 0 "[ . 1 . 2]" 1
109 1 70 VAL N 1 73 ILE CD1 . . 5.380 6.176 4.425 6.588 1.208 16 16 "[- * * **** ****+****]" 1
110 1 69 LEU CA 1 70 VAL N . . 5.000 2.430 2.422 2.440 . 0 0 "[ . 1 . 2]" 1
111 1 72 LYS CA 1 73 ILE N . . 5.000 2.437 2.418 2.445 . 0 0 "[ . 1 . 2]" 1
112 1 70 VAL CG2 1 71 LYS N . . 5.000 4.184 3.181 4.645 . 0 0 "[ . 1 . 2]" 1
113 1 70 VAL CG1 1 71 LYS N . . 5.000 3.825 3.181 4.735 . 0 0 "[ . 1 . 2]" 1
114 1 68 VAL N 1 71 LYS CG . . 5.000 4.872 4.239 6.280 1.280 7 3 "[ * -. + 1 . 2]" 1
115 1 69 LEU CG 1 70 VAL N . . 5.000 3.841 3.586 4.123 . 0 0 "[ . 1 . 2]" 1
116 1 69 LEU CD1 1 70 VAL N . . 5.000 4.542 3.656 4.875 . 0 0 "[ . 1 . 2]" 1
117 1 68 VAL CB 1 69 LEU N . . 5.000 3.338 3.265 3.394 . 0 0 "[ . 1 . 2]" 1
118 1 64 GLU CG 1 68 VAL N . . 5.310 5.607 4.780 6.444 1.134 15 4 "[ . * 1* - + 2]" 1
119 1 66 PHE CB 1 68 VAL N . . 5.920 5.775 5.667 5.943 0.023 17 0 "[ . 1 . 2]" 1
120 1 68 VAL CG1 1 69 LEU N . . 5.000 4.670 4.622 4.710 . 0 0 "[ . 1 . 2]" 1
121 1 68 VAL CG2 1 69 LEU N . . 5.000 3.272 3.149 3.365 . 0 0 "[ . 1 . 2]" 1
122 1 68 VAL CA 1 69 LEU N . . 5.000 2.427 2.420 2.436 . 0 0 "[ . 1 . 2]" 1
123 1 10 PHE CA 1 12 LYS N . . 5.000 4.288 4.166 4.617 . 0 0 "[ . 1 . 2]" 1
124 1 15 ALA CB 1 16 LYS N . . 5.000 3.475 3.294 3.590 . 0 0 "[ . 1 . 2]" 1
125 1 26 GLU CA 1 29 LYS N . . 5.430 4.600 4.233 5.327 . 0 0 "[ . 1 . 2]" 1
126 1 12 LYS CB 1 13 TYR N . . 5.000 3.151 3.027 3.376 . 0 0 "[ . 1 . 2]" 1
127 1 29 LYS CB 1 30 LEU N . . 5.000 3.174 3.013 3.389 . 0 0 "[ . 1 . 2]" 1
128 1 12 LYS CA 1 13 TYR N . . 5.000 2.424 2.407 2.438 . 0 0 "[ . 1 . 2]" 1
129 1 1 LYS CB 1 2 SER N . . 5.000 3.103 2.884 3.303 . 0 0 "[ . 1 . 2]" 1
130 1 25 LYS N 1 59 GLY CA . . 5.000 4.993 3.813 6.189 1.189 17 1 "[ . 1 . + 2]" 1
131 1 23 LEU N 1 61 VAL CG2 . . 5.000 5.579 5.254 5.972 0.972 12 11 "[ ***. ** +* .*-* *]" 1
132 1 14 ALA CB 1 22 GLN N . . 5.000 4.395 3.734 5.406 0.406 19 0 "[ . 1 . 2]" 1
133 1 21 ASN N 1 22 GLN CB . . 5.000 4.894 4.706 5.170 0.170 9 0 "[ . 1 . 2]" 1
134 1 19 ASP N 1 22 GLN CB . . 5.630 5.349 4.690 6.478 0.848 18 2 "[ . -1 . + 2]" 1
135 1 15 ALA CB 1 17 GLU N . . 5.940 6.240 5.904 6.483 0.543 14 2 "[ - 1 +. 2]" 1
136 1 58 ASP CB 1 60 GLU N . . 5.000 4.239 3.776 5.421 0.421 18 0 "[ . 1 . 2]" 1
137 1 22 GLN CB 1 61 VAL N . . 5.000 4.694 4.146 5.527 0.527 6 1 "[ .+ 1 . 2]" 1
138 1 23 LEU CB 1 61 VAL N . . 5.000 4.727 4.066 5.208 0.208 10 0 "[ . 1 . 2]" 1
139 1 62 SER N 1 65 GLU CB . . 5.000 4.570 3.716 5.315 0.315 1 0 "[ . 1 . 2]" 1
140 1 62 SER N 1 65 GLU CG . . 5.000 4.460 3.158 5.045 0.045 13 0 "[ . 1 . 2]" 1
141 1 63 PHE N 1 64 GLU CB . . 5.000 4.946 4.836 5.125 0.125 18 0 "[ . 1 . 2]" 1
142 1 22 GLN CB 1 63 PHE N . . 5.130 5.532 4.653 6.363 1.233 14 7 "[ * .* * * +-* 2]" 1
143 1 22 GLN CA 1 63 PHE N . . 5.000 5.078 4.491 5.891 0.891 10 3 "[ . + *.- 2]" 1
144 1 62 SER CA 1 64 GLU N . . 5.000 4.341 4.183 4.697 . 0 0 "[ . 1 . 2]" 1
145 1 64 GLU N 1 65 GLU CA . . 5.000 4.190 4.084 4.276 . 0 0 "[ . 1 . 2]" 1
146 1 62 SER CB 1 64 GLU N . . 5.000 4.282 4.049 4.610 . 0 0 "[ . 1 . 2]" 1
147 1 61 VAL CG1 1 65 GLU N . . 5.470 5.585 4.884 6.529 1.059 9 5 "[*** . +1 - 2]" 1
148 1 65 GLU N 1 66 PHE CB . . 5.000 4.964 4.720 5.236 0.236 16 0 "[ . 1 . 2]" 1
149 1 47 ASP N 1 48 GLU CB . . 5.000 4.875 4.716 5.091 0.091 7 0 "[ . 1 . 2]" 1
150 1 45 THR N 1 48 GLU CG . . 5.000 4.779 3.853 5.788 0.788 14 8 "[ * - * 1* +. ** *]" 1
151 1 47 ASP N 1 48 GLU CG . . 5.500 5.548 4.893 6.261 0.761 2 9 "[ + * * 1** *. -* *]" 1
152 1 45 THR CB 1 47 ASP N . . 5.380 5.651 5.414 5.844 0.464 8 0 "[ . 1 . 2]" 1
153 1 45 THR CA 1 48 GLU N . . 5.000 4.457 3.977 4.728 . 0 0 "[ . 1 . 2]" 1
154 1 45 THR CB 1 48 GLU N . . 5.540 5.902 5.356 6.173 0.633 16 7 "[ **.* * -+ *2]" 1
155 1 45 THR CA 1 49 LEU N . . 5.000 5.007 4.713 5.336 0.336 10 0 "[ . 1 . 2]" 1
156 1 48 GLU CB 1 50 PHE N . . 5.830 5.669 5.348 5.940 0.110 17 0 "[ . 1 . 2]" 1
157 1 47 ASP CB 1 51 GLU N . . 5.750 6.052 5.479 6.535 0.785 7 6 "[ ** + - * *2]" 1
158 1 49 LEU CB 1 51 GLU N . . 5.770 5.660 5.456 5.947 0.177 9 0 "[ . 1 . 2]" 1
159 1 47 ASP CA 1 51 GLU N . . 5.000 5.049 4.579 5.444 0.444 15 0 "[ . 1 . 2]" 1
160 1 16 LYS CA 1 17 GLU N . . 5.000 2.432 2.413 2.453 . 0 0 "[ . 1 . 2]" 1
161 1 13 TYR CA 1 16 LYS N . . 5.620 4.968 4.354 6.302 0.682 19 1 "[ . 1 . +2]" 1
162 1 1 LYS CB 1 5 GLU N . . 6.070 6.161 5.215 6.560 0.490 10 0 "[ . 1 . 2]" 1
163 1 24 SER CB 1 25 LYS N . . 5.000 3.052 2.871 3.280 . 0 0 "[ . 1 . 2]" 1
164 1 6 LEU CA 1 7 LYS N . . 5.000 2.424 2.412 2.436 . 0 0 "[ . 1 . 2]" 1
165 1 25 LYS CG 1 26 GLU N . . 5.000 3.882 3.288 4.779 . 0 0 "[ . 1 . 2]" 1
166 1 8 GLY N 1 9 ILE CG1 . . 5.000 5.217 4.929 5.754 0.754 5 2 "[- + 1 . 2]" 1
167 1 25 LYS CB 1 26 GLU N . . 5.000 3.158 2.971 3.416 . 0 0 "[ . 1 . 2]" 1
168 1 7 LYS CG 1 10 PHE N . . 5.850 6.226 5.762 6.530 0.680 13 6 "[ - . * 1* + . ** 2]" 1
169 1 9 ILE CG1 1 10 PHE N . . 5.000 4.500 4.409 4.633 . 0 0 "[ . 1 . 2]" 1
170 1 26 GLU N 1 27 GLU CA . . 5.000 4.144 4.067 4.193 . 0 0 "[ . 1 . 2]" 1
171 1 25 LYS CG 1 27 GLU N . . 5.810 6.300 5.897 6.661 0.851 10 11 "[ ** .** *+ *-*. **]" 1
172 1 9 ILE N 1 12 LYS CA . . 5.450 5.646 5.297 5.966 0.516 17 1 "[ . 1 . + 2]" 1
173 1 10 PHE N 1 11 GLU CG . . 5.000 5.094 4.864 5.654 0.654 8 1 "[ . + 1 . 2]" 1
174 1 25 LYS CG 1 28 LEU N . . 5.920 6.408 5.898 6.612 0.692 4 13 "[ **+. **-1* ***** *2]" 1
175 1 9 ILE CA 1 10 PHE N . . 5.000 2.419 2.407 2.428 . 0 0 "[ . 1 . 2]" 1
176 1 28 LEU N 1 29 LYS CD . . 5.180 5.781 4.511 6.558 1.378 18 13 "[* * -** ***** .* + *]" 1
177 1 29 LYS CD 1 30 LEU N . . 5.190 5.371 4.935 5.700 0.510 7 1 "[ . + 1 . 2]" 1
178 1 11 GLU N 1 15 ALA CB . . 6.020 6.357 5.688 6.606 0.586 18 6 "[ * - * * * . + 2]" 1
179 1 27 GLU CG 1 28 LEU N . . 5.000 4.175 3.934 4.692 . 0 0 "[ . 1 . 2]" 1
180 1 28 LEU CG 1 29 LYS N . . 5.000 4.172 3.878 4.766 . 0 0 "[ . 1 . 2]" 1
181 1 10 PHE CB 1 11 GLU N . . 5.000 3.044 2.967 3.234 . 0 0 "[ . 1 . 2]" 1
182 1 28 LEU CB 1 29 LYS N . . 5.000 3.142 2.988 3.355 . 0 0 "[ . 1 . 2]" 1
183 1 62 SER CB 1 65 GLU N . . 5.000 4.860 4.261 5.474 0.474 3 0 "[ . 1 . 2]" 1
184 1 67 GLN CG 1 68 VAL N . . 5.000 3.705 3.476 3.920 . 0 0 "[ . 1 . 2]" 1
185 1 67 GLN CB 1 68 VAL N . . 5.000 3.094 2.998 3.190 . 0 0 "[ . 1 . 2]" 1
186 1 65 GLU CB 1 66 PHE N . . 5.000 3.171 3.053 3.292 . 0 0 "[ . 1 . 2]" 1
187 1 62 SER CB 1 63 PHE N . . 5.000 3.064 2.814 3.348 . 0 0 "[ . 1 . 2]" 1
188 1 62 SER CA 1 63 PHE N . . 5.000 2.426 2.416 2.437 . 0 0 "[ . 1 . 2]" 1
189 1 63 PHE CB 1 64 GLU N . . 5.000 3.280 3.119 3.499 . 0 0 "[ . 1 . 2]" 1
190 1 65 GLU CG 1 66 PHE N . . 5.000 4.544 3.864 4.695 . 0 0 "[ . 1 . 2]" 1
191 1 66 PHE CB 1 67 GLN N . . 5.000 3.208 3.071 3.401 . 0 0 "[ . 1 . 2]" 1
192 1 61 VAL CA 1 62 SER N . . 5.000 2.426 2.410 2.439 . 0 0 "[ . 1 . 2]" 1
193 1 60 GLU CA 1 61 VAL N . . 5.000 2.419 2.393 2.433 . 0 0 "[ . 1 . 2]" 1
194 1 61 VAL CB 1 62 SER N . . 5.000 3.480 3.351 3.578 . 0 0 "[ . 1 . 2]" 1
195 1 60 GLU CG 1 61 VAL N . . 5.000 4.675 4.455 4.838 . 0 0 "[ . 1 . 2]" 1
196 1 61 VAL CG1 1 62 SER N . . 5.000 3.534 3.281 3.754 . 0 0 "[ . 1 . 2]" 1
197 1 59 GLY CA 1 60 GLU N . . 5.000 2.408 2.385 2.422 . 0 0 "[ . 1 . 2]" 1
198 1 57 GLY CA 1 58 ASP N . . 5.000 2.406 2.387 2.427 . 0 0 "[ . 1 . 2]" 1
199 1 60 GLU CB 1 61 VAL N . . 5.000 3.405 3.251 3.462 . 0 0 "[ . 1 . 2]" 1
200 1 56 ASN CB 1 58 ASP N . . 5.000 4.923 4.250 6.408 1.408 20 2 "[ . 1 . -+]" 1
201 1 56 ASN CB 1 57 GLY N . . 5.000 3.218 2.793 3.604 . 0 0 "[ . 1 . 2]" 1
202 1 54 ASP CA 1 56 ASN N . . 5.000 4.055 3.657 4.599 . 0 0 "[ . 1 . 2]" 1
203 1 58 ASP CB 1 59 GLY N . . 5.000 3.000 2.790 3.575 . 0 0 "[ . 1 . 2]" 1
204 1 58 ASP CA 1 59 GLY N . . 5.000 2.421 2.395 2.439 . 0 0 "[ . 1 . 2]" 1
205 1 56 ASN CA 1 57 GLY N . . 5.000 2.419 2.402 2.438 . 0 0 "[ . 1 . 2]" 1
206 1 55 LYS CA 1 56 ASN N . . 5.000 2.426 2.408 2.459 . 0 0 "[ . 1 . 2]" 1
207 1 55 LYS CG 1 56 ASN N . . 5.000 3.978 3.110 4.905 . 0 0 "[ . 1 . 2]" 1
208 1 53 LEU CG 1 54 ASP N . . 5.000 4.606 4.429 4.803 . 0 0 "[ . 1 . 2]" 1
209 1 67 GLN CG 1 70 VAL N . . 6.590 6.502 6.352 6.580 . 0 0 "[ . 1 . 2]" 1
210 1 69 LEU CB 1 70 VAL N . . 5.000 3.093 2.985 3.189 . 0 0 "[ . 1 . 2]" 1
211 1 73 ILE CG2 1 74 SER N . . 5.000 3.363 3.143 3.756 . 0 0 "[ . 1 . 2]" 1
212 1 73 ILE CG1 1 74 SER N . . 5.000 4.318 4.085 4.583 . 0 0 "[ . 1 . 2]" 1
213 1 22 GLN CB 1 23 LEU N . . 5.000 3.297 2.924 3.382 . 0 0 "[ . 1 . 2]" 1
214 1 29 LYS N 1 30 LEU CA . . 5.000 4.197 4.142 4.262 . 0 0 "[ . 1 . 2]" 1
215 1 33 GLN CG 1 34 THR N . . 5.000 4.436 3.434 4.850 . 0 0 "[ . 1 . 2]" 1
216 1 37 PRO CA 1 38 SER N . . 5.000 2.424 2.414 2.436 . 0 0 "[ . 1 . 2]" 1
217 1 37 PRO CD 1 38 SER N . . 5.000 3.458 3.263 4.276 . 0 0 "[ . 1 . 2]" 1
218 1 67 GLN CA 1 68 VAL N . . 5.000 2.434 2.425 2.449 . 0 0 "[ . 1 . 2]" 1
219 1 64 GLU CA 1 65 GLU N . . 5.000 2.426 2.403 2.444 . 0 0 "[ . 1 . 2]" 1
220 1 65 GLU CA 1 66 PHE N . . 5.000 2.427 2.408 2.444 . 0 0 "[ . 1 . 2]" 1
221 1 64 GLU CB 1 65 GLU N . . 5.000 3.172 3.030 3.359 . 0 0 "[ . 1 . 2]" 1
222 1 34 THR CB 1 35 GLU N . . 5.000 3.116 3.046 3.225 . 0 0 "[ . 1 . 2]" 1
223 1 33 GLN N 1 34 THR CB . . 5.000 4.854 4.809 4.932 . 0 0 "[ . 1 . 2]" 1
224 1 32 LEU CG 1 33 GLN N . . 5.000 4.009 3.720 4.642 . 0 0 "[ . 1 . 2]" 1
225 1 32 LEU CD2 1 33 GLN N . . 5.000 4.536 3.407 5.380 0.380 3 0 "[ . 1 . 2]" 1
226 1 34 THR CA 1 35 GLU N . . 5.000 2.436 2.419 2.449 . 0 0 "[ . 1 . 2]" 1
227 1 33 GLN CA 1 34 THR N . . 5.000 2.432 2.424 2.438 . 0 0 "[ . 1 . 2]" 1
228 1 35 GLU CB 1 36 PHE N . . 5.000 3.154 3.046 3.397 . 0 0 "[ . 1 . 2]" 1
229 1 31 LEU CG 1 35 GLU N . . 5.570 5.771 5.308 6.362 0.792 15 4 "[- .* 1 + *2]" 1
230 1 44 SER CA 1 45 THR N . . 5.000 2.425 2.409 2.443 . 0 0 "[ . 1 . 2]" 1
231 1 43 MET CA 1 45 THR N . . 5.000 4.340 4.012 4.976 . 0 0 "[ . 1 . 2]" 1
232 1 34 THR CG2 1 35 GLU N . . 5.000 3.756 3.522 4.659 . 0 0 "[ . 1 . 2]" 1
233 1 40 LEU CG 1 45 THR N . . 5.570 5.900 4.778 6.544 0.974 2 9 "[ + **- * **. * *]" 1
234 1 38 SER CA 1 39 LEU N . . 5.000 2.426 2.416 2.440 . 0 0 "[ . 1 . 2]" 1
235 1 38 SER CB 1 39 LEU N . . 5.000 3.392 3.221 3.560 . 0 0 "[ . 1 . 2]" 1
236 1 34 THR N 1 35 GLU CA . . 5.000 4.272 4.119 4.339 . 0 0 "[ . 1 . 2]" 1
237 1 30 LEU CG 1 34 THR N . . 6.070 6.322 5.912 6.605 0.535 6 1 "[ .+ 1 . 2]" 1
238 1 43 MET CB 1 45 THR N . . 5.590 5.083 3.853 6.353 0.763 7 2 "[ . +- 1 . 2]" 1
239 1 43 MET CB 1 44 SER N . . 5.000 3.234 2.795 3.737 . 0 0 "[ . 1 . 2]" 1
240 1 44 SER N 1 48 GLU CB . . 6.940 6.534 5.622 6.750 . 0 0 "[ . 1 . 2]" 1
241 1 42 GLY CA 1 43 MET N . . 5.000 2.413 2.395 2.427 . 0 0 "[ . 1 . 2]" 1
242 1 41 LYS CG 1 43 MET N . . 5.490 5.931 4.938 6.613 1.123 11 10 "[ * .* -1+* ** ***]" 1
243 1 48 GLU CA 1 49 LEU N . . 5.000 2.433 2.419 2.455 . 0 0 "[ . 1 . 2]" 1
244 1 43 MET CA 1 44 SER N . . 5.000 2.429 2.407 2.447 . 0 0 "[ . 1 . 2]" 1
245 1 39 LEU CA 1 42 GLY N . . 6.620 6.387 4.983 6.768 0.148 12 0 "[ . 1 . 2]" 1
246 1 41 LYS CB 1 42 GLY N . . 5.000 3.385 2.862 3.759 . 0 0 "[ . 1 . 2]" 1
247 1 48 GLU N 1 49 LEU CG . . 5.000 5.322 5.030 5.489 0.489 7 0 "[ . 1 . 2]" 1
248 1 41 LYS CG 1 42 GLY N . . 5.000 3.887 3.272 4.839 . 0 0 "[ . 1 . 2]" 1
249 1 41 LYS CA 1 42 GLY N . . 5.000 2.424 2.405 2.436 . 0 0 "[ . 1 . 2]" 1
250 1 40 LEU CA 1 41 LYS N . . 5.000 2.423 2.409 2.443 . 0 0 "[ . 1 . 2]" 1
251 1 48 GLU N 1 49 LEU CD1 . . 5.890 6.387 5.898 6.603 0.713 7 15 "[*** .*+ 1*******-**]" 1
252 1 45 THR CG2 1 48 GLU N . . 5.620 6.249 5.549 6.589 0.969 6 13 "[* **.+* * ***** -*2]" 1
253 1 48 GLU CB 1 49 LEU N . . 5.000 3.214 2.996 3.386 . 0 0 "[ . 1 . 2]" 1
254 1 46 LEU CG 1 47 ASP N . . 5.000 3.665 2.947 4.824 . 0 0 "[ . 1 . 2]" 1
255 1 46 LEU CD1 1 47 ASP N . . 5.150 3.751 3.108 5.350 0.200 7 0 "[ . 1 . 2]" 1
256 1 45 THR CG2 1 47 ASP N . . 5.780 6.312 5.960 6.478 0.698 8 12 "[ * ** + 1* **.*-***]" 1
257 1 40 LEU CB 1 41 LYS N . . 5.000 3.446 2.870 3.716 . 0 0 "[ . 1 . 2]" 1
258 1 37 PRO CB 1 38 SER N . . 5.000 2.858 2.714 3.352 . 0 0 "[ . 1 . 2]" 1
259 1 37 PRO CG 1 38 SER N . . 5.000 3.481 3.162 3.717 . 0 0 "[ . 1 . 2]" 1
260 1 45 THR CB 1 46 LEU N . . 5.000 3.213 3.073 3.379 . 0 0 "[ . 1 . 2]" 1
261 1 35 GLU CG 1 36 PHE N . . 5.000 4.022 3.699 4.607 . 0 0 "[ . 1 . 2]" 1
262 1 48 GLU CG 1 49 LEU N . . 5.000 3.579 3.135 4.471 . 0 0 "[ . 1 . 2]" 1
263 1 46 LEU CB 1 47 ASP N . . 5.000 3.185 3.017 3.398 . 0 0 "[ . 1 . 2]" 1
264 1 49 LEU CB 1 50 PHE N . . 5.000 3.212 3.023 3.387 . 0 0 "[ . 1 . 2]" 1
265 1 47 ASP CB 1 48 GLU N . . 5.000 3.174 3.050 3.264 . 0 0 "[ . 1 . 2]" 1
266 1 53 LEU CD2 1 54 ASP N . . 5.450 5.361 5.139 5.437 . 0 0 "[ . 1 . 2]" 1
267 1 54 ASP CB 1 55 LYS N . . 5.000 3.636 3.256 3.740 . 0 0 "[ . 1 . 2]" 1
268 1 50 PHE CB 1 53 LEU N . . 6.230 6.006 5.502 6.520 0.290 13 0 "[ . 1 . 2]" 1
269 1 53 LEU CB 1 54 ASP N . . 5.000 3.183 3.130 3.402 . 0 0 "[ . 1 . 2]" 1
270 1 52 GLU N 1 55 LYS CE . . 5.000 5.601 4.800 6.513 1.513 18 9 "[ * *. * 1* *-* +*2]" 1
271 1 50 PHE CB 1 52 GLU N . . 5.680 5.472 5.343 5.620 . 0 0 "[ . 1 . 2]" 1
272 1 52 GLU CB 1 53 LEU N . . 5.000 3.219 2.991 3.560 . 0 0 "[ . 1 . 2]" 1
273 1 50 PHE CB 1 51 GLU N . . 5.000 3.132 3.054 3.284 . 0 0 "[ . 1 . 2]" 1
274 1 50 PHE CA 1 53 LEU N . . 5.000 4.608 4.257 5.173 0.173 13 0 "[ . 1 . 2]" 1
275 1 47 ASP CB 1 50 PHE N . . 5.910 5.865 5.467 6.282 0.372 17 0 "[ . 1 . 2]" 1
276 1 52 GLU CG 1 53 LEU N . . 5.000 4.235 3.527 4.887 . 0 0 "[ . 1 . 2]" 1
277 1 52 GLU N 1 53 LEU CG . . 5.450 5.278 4.850 5.836 0.386 4 0 "[ . 1 . 2]" 1
278 1 49 LEU CG 1 50 PHE N . . 5.000 4.309 3.347 4.681 . 0 0 "[ . 1 . 2]" 1
279 1 46 LEU CD1 1 50 PHE N . . 6.630 6.470 5.477 6.636 0.006 19 0 "[ . 1 . 2]" 1
280 1 48 GLU CA 1 52 GLU N . . 5.310 5.674 5.050 6.364 1.054 11 6 "[ . ** 1+-* . *]" 1
281 1 52 GLU CA 1 53 LEU N . . 5.000 2.428 2.414 2.436 . 0 0 "[ . 1 . 2]" 1
282 1 49 LEU CA 1 50 PHE N . . 5.000 2.428 2.418 2.438 . 0 0 "[ . 1 . 2]" 1
283 1 74 SER CB 1 75 GLN N . . 5.000 3.270 2.856 3.675 . 0 0 "[ . 1 . 2]" 1
284 1 72 LYS CE 1 75 GLN N . . 5.000 5.557 4.652 6.616 1.616 17 13 "[ ** ***1* *-**+ **]" 1
285 1 72 LYS CB 1 74 SER N . . 5.450 5.478 5.382 5.593 0.143 7 0 "[ . 1 . 2]" 1
286 1 72 LYS CB 1 73 ILE N . . 5.000 3.316 3.150 3.485 . 0 0 "[ . 1 . 2]" 1
287 1 68 VAL CA 1 72 LYS N . . 5.420 5.284 4.868 5.808 0.388 19 0 "[ . 1 . 2]" 1
288 1 73 ILE CA 1 74 SER N . . 5.000 2.431 2.418 2.447 . 0 0 "[ . 1 . 2]" 1
289 1 73 ILE CB 1 74 SER N . . 5.000 3.394 3.184 3.530 . 0 0 "[ . 1 . 2]" 1
290 1 29 LYS CA 1 30 LEU N . . 5.000 2.430 2.421 2.438 . 0 0 "[ . 1 . 2]" 1
291 1 30 LEU CA 1 31 LEU N . . 5.000 2.428 2.413 2.442 . 0 0 "[ . 1 . 2]" 1
292 1 12 LYS CA 1 14 ALA N . . 5.000 4.605 4.389 4.857 . 0 0 "[ . 1 . 2]" 1
293 1 13 TYR CA 1 14 ALA N . . 5.000 2.424 2.411 2.441 . 0 0 "[ . 1 . 2]" 1
294 1 30 LEU CG 1 31 LEU N . . 5.000 3.809 3.574 4.611 . 0 0 "[ . 1 . 2]" 1
295 1 13 TYR CB 1 14 ALA N . . 5.000 3.154 3.029 3.307 . 0 0 "[ . 1 . 2]" 1
296 1 31 LEU CD2 1 32 LEU N . . 5.000 4.255 3.674 4.748 . 0 0 "[ . 1 . 2]" 1
297 1 14 ALA CA 1 15 ALA N . . 5.000 2.426 2.412 2.437 . 0 0 "[ . 1 . 2]" 1
298 1 9 ILE CD1 1 10 PHE N . . 5.270 5.455 5.061 5.671 0.401 7 0 "[ . 1 . 2]" 1
299 1 9 ILE CG2 1 10 PHE N . . 5.000 3.673 3.515 3.923 . 0 0 "[ . 1 . 2]" 1
300 1 9 ILE CB 1 10 PHE N . . 5.000 3.113 3.021 3.251 . 0 0 "[ . 1 . 2]" 1
301 1 6 LEU CA 1 10 PHE N . . 5.700 5.486 4.990 6.442 0.742 19 1 "[ . 1 . +2]" 1
302 1 15 ALA CA 1 17 GLU N . . 5.000 4.928 4.491 5.233 0.233 14 0 "[ . 1 . 2]" 1
303 1 20 PRO CD 1 21 ASN N . . 5.000 3.760 3.547 3.935 . 0 0 "[ . 1 . 2]" 1
304 1 18 GLY CA 1 19 ASP N . . 5.000 2.408 2.397 2.426 . 0 0 "[ . 1 . 2]" 1
305 1 23 LEU CB 1 24 SER N . . 5.000 3.484 3.300 3.612 . 0 0 "[ . 1 . 2]" 1
306 1 21 ASN CB 1 22 GLN N . . 5.000 3.452 3.158 3.624 . 0 0 "[ . 1 . 2]" 1
307 1 21 ASN CA 1 22 GLN N . . 5.000 2.434 2.406 2.453 . 0 0 "[ . 1 . 2]" 1
308 1 17 GLU N 1 27 GLU CB . . 5.680 5.916 5.251 6.527 0.847 20 8 "[* *. - ** .* * +]" 1
309 1 25 LYS N 1 60 GLU CG . . 5.000 4.867 3.390 5.977 0.977 9 2 "[ . +1 - 2]" 1
310 1 24 SER N 1 60 GLU CG . . 5.000 4.396 3.748 5.537 0.537 15 1 "[ . 1 + 2]" 1
311 1 24 SER N 1 27 GLU CG . . 5.000 4.674 4.264 5.305 0.305 1 0 "[ . 1 . 2]" 1
312 1 29 LYS CA 1 31 LEU N . . 5.000 4.539 4.366 4.917 . 0 0 "[ . 1 . 2]" 1
313 1 9 ILE CG2 1 13 TYR N . . 5.690 6.250 5.677 6.583 0.893 18 11 "[ ***.****-* * . + 2]" 1
314 1 13 TYR CB 1 31 LEU N . . 6.020 6.227 5.875 6.639 0.619 3 3 "[ +*. 1 -. 2]" 1
315 1 32 LEU N 1 33 GLN CG . . 5.510 5.360 5.027 5.617 0.107 4 0 "[ . 1 . 2]" 1
316 1 28 LEU CD2 1 32 LEU N . . 5.420 5.596 4.775 6.537 1.117 3 5 "[ +*. 1 * . * -]" 1
317 1 29 LYS N 1 30 LEU CB . . 5.000 4.952 4.886 5.079 0.079 6 0 "[ . 1 . 2]" 1
318 1 28 LEU CB 1 30 LEU N . . 5.700 5.608 5.435 5.780 0.080 12 0 "[ . 1 . 2]" 1
319 1 38 SER CB 1 40 LEU N . . 5.520 5.627 5.440 6.181 0.661 6 1 "[ .+ 1 . 2]" 1
320 1 7 LYS N 1 11 GLU CG . . 6.190 6.451 5.970 6.577 0.387 15 0 "[ . 1 . 2]" 1
321 1 6 LEU CB 1 7 LYS N . . 5.000 3.142 3.018 3.348 . 0 0 "[ . 1 . 2]" 1
322 1 7 LYS CG 1 9 ILE N . . 5.660 6.188 5.913 6.442 0.782 2 12 "[ + *** *1*-* * ** *]" 1
323 1 6 LEU CB 1 8 GLY N . . 5.710 5.558 5.474 5.698 . 0 0 "[ . 1 . 2]" 1
324 1 8 GLY N 1 9 ILE CB . . 5.000 4.979 4.816 5.175 0.175 5 0 "[ . 1 . 2]" 1
325 1 6 LEU N 1 9 ILE CB . . 5.840 5.530 4.995 6.003 0.163 8 0 "[ . 1 . 2]" 1
326 1 1 LYS CG 1 4 GLU N . . 6.750 6.606 6.287 6.802 0.052 4 0 "[ . 1 . 2]" 1
327 1 5 GLU N 1 7 LYS CB . . 5.430 5.421 4.597 5.949 0.519 13 1 "[ . 1 + . 2]" 1
328 1 4 GLU N 1 5 GLU CA . . 5.000 4.194 4.047 4.291 . 0 0 "[ . 1 . 2]" 1
329 1 3 PRO CD 1 5 GLU N . . 5.740 5.882 5.378 6.099 0.359 16 0 "[ . 1 . 2]" 1
330 1 15 ALA N 1 16 LYS CB . . 5.000 4.815 4.711 4.979 . 0 0 "[ . 1 . 2]" 1
331 1 10 PHE N 1 11 GLU CA . . 5.000 4.303 4.189 4.400 . 0 0 "[ . 1 . 2]" 1
332 1 22 GLN CA 1 61 VAL N . . 5.000 5.001 4.640 5.413 0.413 6 0 "[ . 1 . 2]" 1
333 1 9 ILE CA 1 11 GLU N . . 5.000 4.605 4.390 4.755 . 0 0 "[ . 1 . 2]" 1
334 1 49 LEU N 1 50 PHE CB . . 5.000 4.901 4.730 5.210 0.210 17 0 "[ . 1 . 2]" 1
335 1 20 PRO CB 1 21 ASN N . . 5.000 3.408 3.234 3.592 . 0 0 "[ . 1 . 2]" 1
336 1 20 PRO CG 1 21 ASN N . . 5.000 4.008 3.567 4.426 . 0 0 "[ . 1 . 2]" 1
337 1 14 ALA CB 1 21 ASN N . . 5.000 4.810 4.193 6.361 1.361 19 2 "[ . 1 . +-]" 1
338 1 21 ASN N 1 22 GLN CA . . 5.000 4.126 4.065 4.187 . 0 0 "[ . 1 . 2]" 1
339 1 10 PHE CA 1 11 GLU N . . 5.000 2.430 2.413 2.444 . 0 0 "[ . 1 . 2]" 1
340 1 47 ASP CA 1 49 LEU N . . 5.000 4.350 4.210 4.555 . 0 0 "[ . 1 . 2]" 1
341 1 9 ILE N 1 10 PHE CA . . 5.000 4.205 4.098 4.279 . 0 0 "[ . 1 . 2]" 1
342 1 47 ASP CA 1 48 GLU N . . 5.000 2.417 2.398 2.447 . 0 0 "[ . 1 . 2]" 1
343 1 10 PHE CA 1 14 ALA N . . 5.000 5.122 4.381 5.702 0.702 13 1 "[ . 1 + . 2]" 1
344 1 12 LYS N 1 15 ALA CB . . 5.000 5.196 4.776 5.502 0.502 3 1 "[ + . 1 . 2]" 1
345 1 14 ALA CB 1 23 LEU N . . 5.000 4.136 3.526 4.713 . 0 0 "[ . 1 . 2]" 1
346 1 12 LYS CG 1 14 ALA N . . 6.150 6.512 6.286 6.793 0.643 5 1 "[ + 1 . 2]" 1
347 1 6 LEU CA 1 8 GLY N . . 5.000 4.320 4.214 4.443 . 0 0 "[ . 1 . 2]" 1
348 1 37 PRO CD 1 40 LEU N . . 6.040 5.834 5.068 6.588 0.548 10 2 "[ . + . -2]" 1
349 1 37 PRO CD 1 39 LEU N . . 5.000 4.480 3.900 5.707 0.707 18 1 "[ . 1 . + 2]" 1
350 1 34 THR N 1 37 PRO CD . . 5.000 4.997 4.026 5.901 0.901 3 1 "[ + . 1 . 2]" 1
351 1 14 ALA N 1 27 GLU CB . . 5.000 5.579 4.645 6.152 1.152 17 10 "[ ** *** -*.*+ *2]" 1
352 1 30 LEU CA 1 32 LEU N . . 5.000 4.311 4.163 4.505 . 0 0 "[ . 1 . 2]" 1
353 1 27 GLU CA 1 28 LEU N . . 5.000 2.420 2.409 2.431 . 0 0 "[ . 1 . 2]" 1
354 1 32 LEU CB 1 33 GLN N . . 5.000 3.079 3.043 3.194 . 0 0 "[ . 1 . 2]" 1
355 1 32 LEU CB 1 34 THR N . . 5.400 5.415 5.362 5.500 0.100 6 0 "[ . 1 . 2]" 1
356 1 33 GLN N 1 34 THR CA . . 5.000 4.129 4.104 4.170 . 0 0 "[ . 1 . 2]" 1
357 1 70 VAL CA 1 71 LYS N . . 5.000 2.432 2.415 2.446 . 0 0 "[ . 1 . 2]" 1
358 1 70 VAL CA 1 72 LYS N . . 5.000 4.330 4.064 4.555 . 0 0 "[ . 1 . 2]" 1
359 1 68 VAL CA 1 71 LYS N . . 5.000 4.602 4.284 5.039 0.039 19 0 "[ . 1 . 2]" 1
360 1 69 LEU CA 1 72 LYS N . . 5.000 4.570 4.408 4.755 . 0 0 "[ . 1 . 2]" 1
361 1 64 GLU CA 1 68 VAL N . . 5.000 5.123 4.818 5.589 0.589 15 1 "[ . 1 + 2]" 1
362 1 53 LEU CD1 1 69 LEU N . . 5.370 6.202 5.342 6.614 1.244 14 16 "[* ****** ** +-*****]" 1
363 1 27 GLU N 1 28 LEU CG . . 6.270 6.139 5.228 6.394 0.124 13 0 "[ . 1 . 2]" 1
364 1 28 LEU N 1 61 VAL CG2 . . 5.830 6.487 6.164 6.743 0.913 3 16 "[**+***** 1 ***.*-***]" 1
365 1 28 LEU CB 1 61 VAL N . . 5.990 6.390 5.617 6.602 0.612 6 11 "[ ** *+* *1 * **-*]" 1
366 1 28 LEU CG 1 61 VAL N . . 5.260 6.153 5.070 6.582 1.322 7 15 "[** **+*** **-*** *2]" 1
367 1 29 LYS CB 1 31 LEU N . . 5.970 5.757 5.628 6.059 0.089 20 0 "[ . 1 . 2]" 1
368 1 24 SER CB 1 28 LEU N . . 5.980 5.781 5.562 6.172 0.192 12 0 "[ . 1 . 2]" 1
369 1 6 LEU CD2 1 70 VAL N . . 5.390 5.634 4.616 6.512 1.122 17 7 "[ *- .** 1 **. + 2]" 1
370 1 6 LEU CB 1 67 GLN N . . 6.530 6.427 5.945 6.628 0.098 6 0 "[ . 1 . 2]" 1
371 1 24 SER CB 1 61 VAL N . . 6.230 6.459 6.185 6.720 0.490 4 0 "[ . 1 . 2]" 1
372 1 20 PRO CG 1 22 GLN N . . 5.690 6.299 6.004 6.570 0.880 17 12 "[ ********1 -*. + *2]" 1
373 1 22 GLN N 1 23 LEU CB . . 5.820 5.760 5.587 5.968 0.148 4 0 "[ . 1 . 2]" 1
374 1 20 PRO CD 1 22 GLN N . . 5.260 5.627 5.449 5.849 0.589 9 3 "[ . -+1 . * 2]" 1
375 1 61 VAL CG2 1 62 SER N . . 5.000 4.773 4.662 4.872 . 0 0 "[ . 1 . 2]" 1
376 1 14 ALA CA 1 23 LEU N . . 5.000 5.013 4.297 5.737 0.737 19 2 "[ . 1 - +2]" 1
377 1 21 ASN CB 1 63 PHE N . . 5.510 5.953 5.436 6.622 1.112 15 8 "[* . - *** *+ *]" 1
378 1 14 ALA N 1 23 LEU CA . . 5.000 5.439 4.812 6.012 1.012 15 7 "[ .* *1* - +* *2]" 1
379 1 14 ALA CA 1 22 GLN N . . 5.820 5.622 4.832 6.562 0.742 19 1 "[ . 1 . +2]" 1
380 1 58 ASP CA 1 60 GLU N . . 5.000 4.423 4.019 4.697 . 0 0 "[ . 1 . 2]" 1
381 1 23 LEU N 1 61 VAL CA . . 5.000 4.368 4.208 4.644 . 0 0 "[ . 1 . 2]" 1
382 1 23 LEU N 1 61 VAL CB . . 5.000 4.653 4.301 4.985 . 0 0 "[ . 1 . 2]" 1
383 1 22 GLN N 1 60 GLU CB . . 5.670 6.243 5.734 6.569 0.899 20 14 "[ *.*** **** -****+]" 1
384 1 23 LEU N 1 60 GLU CB . . 5.000 4.842 4.321 5.178 0.178 7 0 "[ . 1 . 2]" 1
385 1 19 ASP CA 1 22 GLN N . . 5.000 4.515 4.134 4.867 . 0 0 "[ . 1 . 2]" 1
386 1 14 ALA CB 1 19 ASP N . . 5.960 5.410 4.585 6.091 0.131 1 0 "[ . 1 . 2]" 1
387 1 25 LYS N 1 60 GLU CA . . 5.000 4.675 4.072 5.332 0.332 16 0 "[ . 1 . 2]" 1
388 1 54 ASP N 1 55 LYS CB . . 5.000 4.855 4.619 5.099 0.099 3 0 "[ . 1 . 2]" 1
389 1 55 LYS CB 1 56 ASN N . . 5.000 3.509 3.131 3.746 . 0 0 "[ . 1 . 2]" 1
390 1 54 ASP CB 1 60 GLU N . . 5.310 5.689 4.396 6.567 1.257 2 8 "[ +* * -* 1 * * * 2]" 1
391 1 11 GLU CG 1 12 LYS N . . 5.000 3.589 3.156 4.820 . 0 0 "[ . 1 . 2]" 1
392 1 20 PRO CA 1 22 GLN N . . 5.000 4.507 4.354 4.859 . 0 0 "[ . 1 . 2]" 1
393 1 20 PRO CA 1 21 ASN N . . 5.000 2.446 2.432 2.460 . 0 0 "[ . 1 . 2]" 1
394 1 16 LYS N 1 17 GLU CG . . 5.000 5.727 5.082 6.636 1.636 11 19 "[**********+ ***-****]" 1
395 1 16 LYS N 1 20 PRO CB . . 6.580 6.522 6.217 6.617 0.037 11 0 "[ . 1 . 2]" 1
396 1 17 GLU N 1 18 GLY CA . . 5.000 4.380 4.114 4.734 . 0 0 "[ . 1 . 2]" 1
397 1 43 MET N 1 44 SER CB . . 5.630 5.298 4.616 5.981 0.351 17 0 "[ . 1 . 2]" 1
398 1 45 THR CA 1 47 ASP N . . 5.000 4.383 4.131 4.550 . 0 0 "[ . 1 . 2]" 1
399 1 45 THR CA 1 46 LEU N . . 5.000 2.432 2.385 2.457 . 0 0 "[ . 1 . 2]" 1
400 1 45 THR CB 1 49 LEU N . . 5.740 6.008 5.532 6.449 0.709 10 3 "[ - .* + . 2]" 1
401 1 45 THR CG2 1 49 LEU N . . 5.120 5.682 4.942 6.241 1.121 10 13 "[****.* +-***** *2]" 1
402 1 47 ASP N 1 48 GLU CA . . 5.000 4.153 4.081 4.281 . 0 0 "[ . 1 . 2]" 1
403 1 46 LEU N 1 47 ASP CA . . 5.000 4.184 4.099 4.293 . 0 0 "[ . 1 . 2]" 1
404 1 46 LEU N 1 47 ASP CB . . 5.000 4.963 4.861 5.202 0.202 13 0 "[ . 1 . 2]" 1
405 1 48 GLU CG 1 50 PHE N . . 5.850 6.180 5.821 6.668 0.818 9 6 "[ * . +1 - . ** *]" 1
406 1 47 ASP CB 1 49 LEU N . . 5.620 5.608 5.488 5.759 0.139 9 0 "[ . 1 . 2]" 1
407 1 48 GLU N 1 49 LEU CB . . 5.000 4.996 4.883 5.198 0.198 9 0 "[ . 1 . 2]" 1
408 1 38 SER N 1 39 LEU CD1 . . 5.670 5.525 3.929 6.505 0.835 15 2 "[ . - 1 + 2]" 1
409 1 14 ALA CB 1 24 SER N . . 5.290 5.665 4.939 6.311 1.021 5 7 "[ -*+ *** *. 2]" 1
410 1 24 SER N 1 27 GLU CB . . 5.000 3.781 3.441 4.236 . 0 0 "[ . 1 . 2]" 1
411 1 24 SER N 1 27 GLU CA . . 5.000 4.774 4.531 5.132 0.132 1 0 "[ . 1 . 2]" 1
412 1 29 LYS H 1 31 LEU H . . 5.000 4.367 4.181 4.674 . 0 0 "[ . 1 . 2]" 1
413 1 30 LEU H 1 31 LEU H . . 5.000 2.706 2.552 2.899 . 0 0 "[ . 1 . 2]" 1
414 1 31 LEU H 1 33 GLN H . . 5.000 4.374 4.172 4.650 . 0 0 "[ . 1 . 2]" 1
415 1 18 GLY H 1 19 ASP H . . 5.000 4.035 3.189 4.514 . 0 0 "[ . 1 . 2]" 1
416 1 15 ALA H 1 17 GLU H . . 5.000 4.919 4.552 5.368 0.368 5 0 "[ . 1 . 2]" 1
417 1 38 SER H 1 39 LEU H . . 5.000 2.416 2.214 2.760 . 0 0 "[ . 1 . 2]" 1
418 1 21 ASN H 1 22 GLN H . . 5.000 2.128 1.905 2.432 . 0 0 "[ . 1 . 2]" 1
419 1 34 THR H 1 35 GLU H . . 5.000 2.338 2.157 2.509 . 0 0 "[ . 1 . 2]" 1
420 1 33 GLN H 1 35 GLU H . . 5.000 4.522 4.153 4.834 . 0 0 "[ . 1 . 2]" 1
421 1 23 LEU H 1 61 VAL H . . 5.000 3.185 2.776 3.697 . 0 0 "[ . 1 . 2]" 1
422 1 25 LYS H 1 26 GLU H . . 5.000 2.811 2.506 3.190 . 0 0 "[ . 1 . 2]" 1
423 1 26 GLU H 1 27 GLU H . . 5.000 2.520 2.330 2.627 . 0 0 "[ . 1 . 2]" 1
424 1 57 GLY H 1 58 ASP H . . 5.000 2.458 1.635 3.491 . 0 0 "[ . 1 . 2]" 1
425 1 56 ASN H 1 57 GLY H . . 5.000 2.579 2.086 3.005 . 0 0 "[ . 1 . 2]" 1
426 1 12 LYS H 1 13 TYR H . . 5.000 2.593 2.335 2.731 . 0 0 "[ . 1 . 2]" 1
427 1 13 TYR H 1 14 ALA H . . 5.000 2.346 2.010 2.549 . 0 0 "[ . 1 . 2]" 1
428 1 15 ALA H 1 16 LYS H . . 5.000 2.664 2.481 2.869 . 0 0 "[ . 1 . 2]" 1
429 1 14 ALA H 1 15 ALA H . . 5.000 2.663 2.353 2.803 . 0 0 "[ . 1 . 2]" 1
430 1 16 LYS H 1 17 GLU H . . 5.000 2.545 2.041 2.825 . 0 0 "[ . 1 . 2]" 1
431 1 74 SER H 1 75 GLN H . . 5.000 2.558 2.225 2.931 . 0 0 "[ . 1 . 2]" 1
432 1 73 ILE H 1 74 SER H . . 5.000 2.622 2.453 2.790 . 0 0 "[ . 1 . 2]" 1
433 1 72 LYS H 1 74 SER H . . 5.000 4.130 3.862 4.601 . 0 0 "[ . 1 . 2]" 1
434 1 17 GLU H 1 18 GLY H . . 5.000 3.129 2.088 4.486 . 0 0 "[ . 1 . 2]" 1
435 1 4 GLU H 1 6 LEU H . . 5.000 3.897 3.666 4.280 . 0 0 "[ . 1 . 2]" 1
436 1 4 GLU H 1 5 GLU H . . 5.000 2.707 2.352 3.055 . 0 0 "[ . 1 . 2]" 1
437 1 5 GLU H 1 6 LEU H . . 5.000 2.461 2.278 2.731 . 0 0 "[ . 1 . 2]" 1
438 1 6 LEU H 1 7 LYS H . . 5.000 2.672 2.356 2.913 . 0 0 "[ . 1 . 2]" 1
439 1 7 LYS H 1 8 GLY H . . 5.000 2.640 2.450 2.828 . 0 0 "[ . 1 . 2]" 1
440 1 8 GLY H 1 9 ILE H . . 5.000 2.727 2.579 2.961 . 0 0 "[ . 1 . 2]" 1
441 1 10 PHE H 1 11 GLU H . . 5.000 2.809 2.599 2.951 . 0 0 "[ . 1 . 2]" 1
442 1 8 GLY H 1 10 PHE H . . 5.740 4.226 3.859 4.477 . 0 0 "[ . 1 . 2]" 1
443 1 9 ILE H 1 11 GLU H . . 5.000 4.343 3.938 4.647 . 0 0 "[ . 1 . 2]" 1
444 1 9 ILE H 1 10 PHE H . . 5.000 2.542 2.336 2.738 . 0 0 "[ . 1 . 2]" 1
445 1 11 GLU H 1 12 LYS H . . 5.000 2.604 2.506 2.764 . 0 0 "[ . 1 . 2]" 1
446 1 67 GLN H 1 69 LEU H . . 5.000 3.871 3.650 4.082 . 0 0 "[ . 1 . 2]" 1
447 1 69 LEU H 1 70 VAL H . . 5.000 2.626 2.411 2.818 . 0 0 "[ . 1 . 2]" 1
448 1 68 VAL H 1 70 VAL H . . 5.000 4.375 4.071 4.639 . 0 0 "[ . 1 . 2]" 1
449 1 39 LEU H 1 40 LEU H . . 5.000 2.499 1.974 2.785 . 0 0 "[ . 1 . 2]" 1
450 1 52 GLU H 1 53 LEU H . . 5.000 2.456 2.129 2.746 . 0 0 "[ . 1 . 2]" 1
451 1 54 ASP H 1 55 LYS H . . 5.000 2.834 2.360 3.185 . 0 0 "[ . 1 . 2]" 1
452 1 55 LYS H 1 56 ASN H . . 5.000 2.789 2.469 3.408 . 0 0 "[ . 1 . 2]" 1
453 1 40 LEU H 1 41 LYS H . . 5.000 2.900 2.303 4.666 . 0 0 "[ . 1 . 2]" 1
454 1 44 SER H 1 45 THR H . . 5.000 2.698 2.011 3.116 . 0 0 "[ . 1 . 2]" 1
455 1 68 VAL H 1 69 LEU H . . 5.000 2.559 2.492 2.699 . 0 0 "[ . 1 . 2]" 1
456 1 67 GLN H 1 68 VAL H . . 5.000 2.713 2.463 2.938 . 0 0 "[ . 1 . 2]" 1
457 1 66 PHE H 1 67 GLN H . . 5.000 2.541 2.222 2.827 . 0 0 "[ . 1 . 2]" 1
458 1 48 GLU H 1 49 LEU H . . 5.000 2.657 2.466 2.991 . 0 0 "[ . 1 . 2]" 1
459 1 47 ASP H 1 48 GLU H . . 5.000 2.458 2.206 2.754 . 0 0 "[ . 1 . 2]" 1
460 1 49 LEU H 1 50 PHE H . . 5.000 2.470 2.293 2.698 . 0 0 "[ . 1 . 2]" 1
461 1 50 PHE H 1 51 GLU H . . 5.000 2.708 2.437 2.890 . 0 0 "[ . 1 . 2]" 1
462 1 31 LEU H 1 32 LEU H . . 5.000 2.688 2.607 2.842 . 0 0 "[ . 1 . 2]" 1
463 1 45 THR H 1 46 LEU H . . 5.000 2.641 2.109 2.941 . 0 0 "[ . 1 . 2]" 1
464 1 46 LEU H 1 47 ASP H . . 5.000 2.621 2.503 2.845 . 0 0 "[ . 1 . 2]" 1
465 1 32 LEU H 1 33 GLN H . . 5.000 2.821 2.729 2.916 . 0 0 "[ . 1 . 2]" 1
466 1 34 THR H 1 36 PHE H . . 5.000 3.798 3.427 4.115 . 0 0 "[ . 1 . 2]" 1
467 1 33 GLN H 1 34 THR H . . 5.000 2.613 2.513 2.716 . 0 0 "[ . 1 . 2]" 1
468 1 26 GLU H 1 28 LEU H . . 5.000 3.966 3.666 4.186 . 0 0 "[ . 1 . 2]" 1
469 1 28 LEU H 1 29 LYS H . . 5.000 2.737 2.629 2.894 . 0 0 "[ . 1 . 2]" 1
470 1 71 LYS H 1 72 LYS H . . 5.000 2.520 2.272 2.774 . 0 0 "[ . 1 . 2]" 1
471 1 72 LYS H 1 73 ILE H . . 5.000 2.393 2.207 2.654 . 0 0 "[ . 1 . 2]" 1
472 1 70 VAL H 1 71 LYS H . . 5.000 2.623 2.463 2.747 . 0 0 "[ . 1 . 2]" 1
473 1 49 LEU H 1 51 GLU H . . 5.000 4.144 3.709 4.456 . 0 0 "[ . 1 . 2]" 1
474 1 47 ASP H 1 49 LEU H . . 5.000 4.045 3.728 4.499 . 0 0 "[ . 1 . 2]" 1
475 1 22 GLN H 1 23 LEU H . . 5.000 4.302 4.139 4.563 . 0 0 "[ . 1 . 2]" 1
476 1 30 LEU H 1 32 LEU H . . 5.000 3.978 3.697 4.231 . 0 0 "[ . 1 . 2]" 1
477 1 71 LYS H 1 73 ILE H . . 5.000 3.929 3.495 4.203 . 0 0 "[ . 1 . 2]" 1
478 1 32 LEU H 1 34 THR H . . 5.000 3.926 3.839 4.010 . 0 0 "[ . 1 . 2]" 1
479 1 58 ASP H 1 59 GLY H . . 5.000 4.358 4.066 4.596 . 0 0 "[ . 1 . 2]" 1
480 1 59 GLY H 1 60 GLU H . . 5.000 2.463 1.662 3.487 . 0 0 "[ . 1 . 2]" 1
481 1 29 LYS H 1 30 LEU H . . 5.000 2.645 2.346 2.851 . 0 0 "[ . 1 . 2]" 1
482 1 51 GLU H 1 53 LEU H . . 5.000 4.250 3.867 4.666 . 0 0 "[ . 1 . 2]" 1
483 1 65 GLU H 1 67 GLN H . . 5.000 4.095 3.640 4.347 . 0 0 "[ . 1 . 2]" 1
484 1 65 GLU H 1 66 PHE H . . 5.000 2.728 2.353 3.036 . 0 0 "[ . 1 . 2]" 1
485 1 64 GLU H 1 65 GLU H . . 5.000 2.553 2.329 2.830 . 0 0 "[ . 1 . 2]" 1
486 1 5 GLU H 1 7 LYS H . . 5.000 4.157 3.464 4.459 . 0 0 "[ . 1 . 2]" 1
487 1 8 GLY H 1 11 GLU H . . 5.340 4.977 4.749 5.199 . 0 0 "[ . 1 . 2]" 1
488 1 12 LYS H 1 14 ALA H . . 5.000 3.958 3.609 4.247 . 0 0 "[ . 1 . 2]" 1
489 1 27 GLU H 1 28 LEU H . . 5.000 2.481 2.157 2.605 . 0 0 "[ . 1 . 2]" 1
490 1 4 GLU H 1 7 LYS H . . 5.000 4.733 4.477 5.050 0.050 6 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 373
_Distance_constraint_stats_list.Viol_total 2855.405
_Distance_constraint_stats_list.Viol_max 1.961
_Distance_constraint_stats_list.Viol_rms 0.3138
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1785
_Distance_constraint_stats_list.Viol_average_violations_only 0.3828
_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 3 PRO 3.204 0.677 14 2 "[ - . 1 +. 2]"
1 7 LYS 3.465 0.677 14 2 "[ - . 1 +. 2]"
1 10 PHE 1.795 0.395 13 0 "[ . 1 . 2]"
1 11 GLU 0.261 0.135 17 0 "[ . 1 . 2]"
1 14 ALA 1.795 0.395 13 0 "[ . 1 . 2]"
1 23 LEU 1.843 0.702 5 1 "[ + 1 . 2]"
1 24 SER 0.337 0.337 17 0 "[ . 1 . 2]"
1 25 LYS 17.531 1.718 17 8 "[ * *.** 1 -.*+ *]"
1 27 GLU 2.982 0.504 2 1 "[ + . 1 . 2]"
1 28 LEU 4.614 1.012 20 2 "[ . 1 - . +]"
1 29 LYS 21.586 1.718 17 8 "[ * *.** 1 -.*+ *]"
1 31 LEU 4.703 0.504 2 1 "[ + . 1 . 2]"
1 32 LEU 4.277 1.012 20 2 "[ . 1 - . +]"
1 33 GLN 4.055 1.024 20 1 "[ . 1 . +]"
1 35 GLU 1.721 0.464 15 0 "[ . 1 . 2]"
1 46 LEU 7.066 1.209 7 2 "[ . + -1 . 2]"
1 48 GLU 32.964 1.961 13 15 "[** .-******+ .*****]"
1 49 LEU 13.759 1.025 20 9 "[ . * *1 **.****+]"
1 50 PHE 10.250 1.209 7 3 "[ . + *1 - . 2]"
1 52 GLU 32.964 1.961 13 15 "[** .-******+ .*****]"
1 53 LEU 13.759 1.025 20 9 "[ . * *1 **.****+]"
1 54 ASP 3.184 0.795 13 1 "[ . 1 + . 2]"
1 61 VAL 1.843 0.702 5 1 "[ + 1 . 2]"
1 63 PHE 14.099 1.310 6 7 "[ *+ 1 *.**-*2]"
1 65 GLU 11.729 0.913 10 6 "[ * - + ** . * 2]"
1 66 PHE 7.554 0.628 1 4 "[+ .* 1 - . *]"
1 67 GLN 24.466 1.310 6 8 "[- *+ 1 *.****2]"
1 69 LEU 15.771 0.913 10 6 "[ * - + ** . * 2]"
1 70 VAL 7.554 0.628 1 4 "[+ .* 1 - . *]"
1 71 LYS 10.367 1.061 6 4 "[- *+ 1 . *2]"
1 73 ILE 4.042 0.907 13 2 "[ . - 1 + . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 PRO O 1 7 LYS H . . 2.000 2.013 1.764 2.677 0.677 14 2 "[ - . 1 +. 2]" 2
2 1 3 PRO O 1 7 LYS N . . 3.000 2.918 2.744 3.421 0.421 14 0 "[ . 1 . 2]" 2
3 1 7 LYS O 1 11 GLU H . . 2.400 2.033 1.792 2.526 0.126 17 0 "[ . 1 . 2]" 2
4 1 7 LYS O 1 11 GLU N . . 3.300 3.002 2.774 3.435 0.135 17 0 "[ . 1 . 2]" 2
5 1 10 PHE O 1 14 ALA H . . 2.000 1.988 1.799 2.395 0.395 13 0 "[ . 1 . 2]" 2
6 1 10 PHE O 1 14 ALA N . . 3.000 2.916 2.770 3.354 0.354 13 0 "[ . 1 . 2]" 2
7 1 23 LEU H 1 61 VAL O . . 2.000 1.919 1.589 2.702 0.702 5 1 "[ + 1 . 2]" 2
8 1 23 LEU N 1 61 VAL O . . 3.000 2.839 2.573 3.512 0.512 5 1 "[ + 1 . 2]" 2
9 1 24 SER O 1 28 LEU H . . 2.000 1.855 1.704 2.337 0.337 17 0 "[ . 1 . 2]" 2
10 1 24 SER O 1 28 LEU N . . 3.000 2.753 2.653 2.949 . 0 0 "[ . 1 . 2]" 2
11 1 25 LYS O 1 29 LYS H . . 2.000 2.508 2.075 3.718 1.718 17 8 "[ * *.** 1 -.*+ *]" 2
12 1 25 LYS O 1 29 LYS N . . 3.000 3.368 2.981 4.462 1.462 17 3 "[ * -. 1 . + 2]" 2
13 1 27 GLU O 1 31 LEU H . . 2.000 1.992 1.705 2.504 0.504 2 1 "[ + . 1 . 2]" 2
14 1 27 GLU O 1 31 LEU N . . 3.000 2.961 2.663 3.460 0.460 2 0 "[ . 1 . 2]" 2
15 1 28 LEU O 1 32 LEU H . . 2.000 2.021 1.718 3.012 1.012 20 2 "[ . 1 - . +]" 2
16 1 28 LEU O 1 32 LEU N . . 3.000 2.931 2.651 3.779 0.779 20 1 "[ . 1 . +]" 2
17 1 29 LYS O 1 33 GLN H . . 2.000 2.059 1.745 3.024 1.024 20 1 "[ . 1 . +]" 2
18 1 29 LYS O 1 33 GLN N . . 3.000 3.001 2.716 3.886 0.886 20 1 "[ . 1 . +]" 2
19 1 31 LEU O 1 35 GLU H . . 2.000 1.967 1.677 2.464 0.464 15 0 "[ . 1 . 2]" 2
20 1 31 LEU O 1 35 GLU N . . 3.000 2.919 2.653 3.385 0.385 15 0 "[ . 1 . 2]" 2
21 1 46 LEU O 1 50 PHE H . . 2.000 2.202 1.821 3.209 1.209 7 2 "[ . + -1 . 2]" 2
22 1 46 LEU O 1 50 PHE N . . 3.000 3.058 2.746 3.909 0.909 7 1 "[ . + 1 . 2]" 2
23 1 48 GLU O 1 52 GLU H . . 2.000 2.956 2.027 3.961 1.961 13 15 "[-* .*******+ .*****]" 2
24 1 48 GLU O 1 52 GLU N . . 3.000 3.685 2.864 4.544 1.544 13 12 "[ * .-***1**+ .*** *]" 2
25 1 49 LEU O 1 53 LEU H . . 2.000 2.390 1.706 3.025 1.025 20 9 "[ . * *1 **.-***+]" 2
26 1 49 LEU O 1 53 LEU N . . 3.000 3.177 2.656 3.836 0.836 13 4 "[ . 1 +*. * -]" 2
27 1 50 PHE O 1 54 ASP H . . 2.000 1.995 1.729 2.795 0.795 13 1 "[ . 1 + . 2]" 2
28 1 50 PHE O 1 54 ASP N . . 3.000 2.901 2.675 3.758 0.758 13 1 "[ . 1 + . 2]" 2
29 1 23 LEU O 1 61 VAL H . . 2.000 1.822 1.680 1.995 . 0 0 "[ . 1 . 2]" 2
30 1 23 LEU O 1 61 VAL N . . 3.000 2.738 2.641 2.850 . 0 0 "[ . 1 . 2]" 2
31 1 63 PHE O 1 67 GLN H . . 2.000 2.366 1.753 3.310 1.310 6 7 "[ -+ 1 *.****2]" 2
32 1 63 PHE O 1 67 GLN N . . 3.000 3.233 2.708 4.122 1.122 6 6 "[ .+ 1 *.**-*2]" 2
33 1 65 GLU O 1 69 LEU H . . 2.000 2.391 1.862 2.913 0.913 10 6 "[ * - + ** . * 2]" 2
34 1 65 GLU O 1 69 LEU N . . 3.000 3.175 2.787 3.596 0.596 18 2 "[ . - . + 2]" 2
35 1 66 PHE O 1 70 VAL H . . 2.000 2.194 1.847 2.628 0.628 1 4 "[+ .* 1 * . -]" 2
36 1 66 PHE O 1 70 VAL N . . 3.000 3.125 2.775 3.518 0.518 1 2 "[+ . 1 - . 2]" 2
37 1 67 GLN O 1 71 LYS H . . 2.000 2.322 1.897 3.061 1.061 6 4 "[- *+ 1 . *2]" 2
38 1 67 GLN O 1 71 LYS N . . 3.000 3.183 2.859 3.615 0.615 6 2 "[ -+ 1 . 2]" 2
39 1 69 LEU O 1 73 ILE H . . 2.000 2.117 1.754 2.907 0.907 13 2 "[ . - 1 + . 2]" 2
40 1 69 LEU O 1 73 ILE N . . 3.000 2.895 2.663 3.336 0.336 13 0 "[ . 1 . 2]" 2
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