NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
512208 |
2rr7   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rr7
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 906
_Distance_constraint_stats_list.Viol_count 3785
_Distance_constraint_stats_list.Viol_total 70185.242
_Distance_constraint_stats_list.Viol_max 8.784
_Distance_constraint_stats_list.Viol_rms 0.6517
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1937
_Distance_constraint_stats_list.Viol_average_violations_only 0.9271
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 7.060 0.984 14 6 "[ - .* 1 +* * *]"
1 3 GLN 1.146 0.589 12 1 "[ . 1 + . 2]"
1 4 ALA 0.734 0.589 12 1 "[ . 1 + . 2]"
1 5 ASP 0.520 0.520 15 1 "[ . 1 + 2]"
1 6 LEU 3.022 0.455 4 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 2.355 0.187 5 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 76.814 2.626 9 19 "[********+**-**** ***]"
1 14 GLU 2.908 0.257 14 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LEU 7.887 0.639 5 1 "[ + 1 . 2]"
1 18 LYS 5.213 0.911 16 4 "[* . 1 *-+ 2]"
1 19 ALA 10.905 1.222 11 10 "[ * ***** *+ -. *2]"
1 20 LEU 100.486 2.229 20 20 [*************-*****+]
1 21 ASP 0.007 0.007 15 0 "[ . 1 . 2]"
1 22 THR 15.239 1.222 11 13 "[** ***** *+ *-* *2]"
1 23 LEU 43.297 1.918 20 19 "[ **-***************+]"
1 24 LYS 8.103 0.565 13 6 "[ * . -1* + . * *2]"
1 25 PRO 10.302 0.751 17 10 "[ -*.* *1****. + *2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASP 36.458 2.578 15 18 "[************ *+* ***]"
1 28 ILE 72.858 2.265 15 20 [**************+*-***]
1 29 THR 45.678 1.590 4 20 [***+********-*******]
1 30 GLU 3.818 0.430 4 0 "[ . 1 . 2]"
1 31 VAL 121.130 5.354 5 20 [****+***********-***]
1 32 LYS 109.699 1.590 4 20 [***+*******-********]
1 34 MET 24.262 1.451 7 14 "[ ** .*+* 1******-**2]"
1 35 LYS 41.222 2.698 18 13 "[ * .*** 1******-+*2]"
1 36 SER 18.133 2.698 18 7 "[ .** 1* -* +*2]"
1 38 PRO 7.782 0.499 16 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 3.154 0.744 19 2 "[ . 1 - . +2]"
1 41 VAL 205.785 7.730 5 20 [****+***********-***]
1 42 ARG 0.580 0.059 1 0 "[ . 1 . 2]"
1 43 ARG 42.084 1.951 9 15 "[* *****+1-***. ****]"
1 44 VAL 5.505 0.943 9 2 "[ . +1 . -]"
1 45 LEU 292.855 6.903 20 20 [-******************+]
1 46 GLU 7.819 1.133 18 3 "[ .* 1 - . + 2]"
1 47 ALA 24.483 1.022 3 13 "[* +*.**- ** .*****]"
1 48 ILE 152.696 2.393 18 20 [*****-***********+**]
1 49 CYS 3.035 0.466 7 0 "[ . 1 . 2]"
1 50 ILE 79.580 2.411 20 17 "[** ********** ** *-+]"
1 51 MET 229.180 3.549 12 20 [***********+********]
1 52 LYS 98.819 3.488 5 20 [****+-**************]
1 54 VAL 17.333 2.384 17 8 "[* .*** ** - + 2]"
1 55 LYS 1.469 0.293 9 0 "[ . 1 . 2]"
1 56 PRO 0.129 0.129 19 0 "[ . 1 . 2]"
1 57 ALA 2.901 0.517 10 1 "[ . + . 2]"
1 58 ARG 11.260 1.799 18 4 "[ * . 1 .* + *]"
1 59 VAL 8.359 0.964 20 4 "[ -* *1 . +]"
1 60 LYS 136.257 3.719 1 20 [+*******-***********]
1 61 ASP 6.057 0.676 12 1 "[ . 1 + . 2]"
1 62 THR 141.225 3.719 1 20 [+*******-***********]
1 64 SER 1.279 0.230 2 0 "[ . 1 . 2]"
1 65 GLY 2.670 0.532 16 1 "[ . 1 .+ 2]"
1 66 ARG 10.447 0.676 12 1 "[ . 1 + . 2]"
1 67 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 VAL 0.897 0.250 5 0 "[ . 1 . 2]"
1 69 ASP 9.778 1.799 18 4 "[ * . 1 .* + *]"
1 70 ASP 0.359 0.237 1 0 "[ . 1 . 2]"
1 71 TYR 1.323 0.363 2 0 "[ . 1 . 2]"
1 72 TRP 649.384 7.730 5 20 [****+***********-***]
1 73 GLU 12.732 0.964 20 5 "[ ** *- . +]"
1 74 ALA 1.323 0.363 2 0 "[ . 1 . 2]"
1 76 LYS 29.069 1.057 12 14 "[** *.** ***+ *-* **]"
1 77 LYS 2.213 0.531 15 1 "[ . 1 + 2]"
1 78 MET 2.469 0.696 20 2 "[ . 1 - . +]"
1 79 LEU 186.466 4.640 20 20 [****************-**+]
1 80 MET 12.883 1.116 12 15 "[* ****-**+**** **]"
1 81 GLU 2.209 0.696 20 1 "[ . 1 . +]"
1 82 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 PHE 50.741 1.569 11 20 [**********+******-**]
1 85 LEU 57.124 1.918 20 20 [********-**********+]
1 86 ASP 0.994 0.219 1 0 "[ . 1 . 2]"
1 88 LEU 146.006 3.488 5 20 [****+***********-***]
1 89 ARG 48.615 2.300 20 20 [******************-+]
1 90 LYS 5.570 2.300 20 2 "[ . 1 -. +]"
1 91 PHE 6.279 0.813 4 2 "[ +. 1 . -]"
1 93 LYS 54.286 2.626 9 19 "[********+******* -**]"
1 94 ASP 214.336 3.669 16 20 [***************+-***]
1 95 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ILE 245.316 3.694 14 20 [***********-*+******]
1 98 PRO 96.573 2.233 3 20 [-*+*****************]
1 99 GLU 0.327 0.056 11 0 "[ . 1 . 2]"
1 100 VAL 105.992 2.728 9 20 [********+******-****]
1 101 ILE 741.850 3.694 14 20 [*****-*******+******]
1 102 VAL 26.743 1.082 5 20 [****+*******-*******]
1 103 LYS 88.059 2.411 20 17 "[*********1*** ** *-+]"
1 104 ILE 142.669 1.710 13 20 [************+**-****]
1 105 ARG 107.515 2.933 8 20 [*******+****-*******]
1 106 PRO 13.832 1.588 8 5 "[ . + * *- . *]"
1 107 PHE 0.849 0.404 9 0 "[ . 1 . 2]"
1 108 ALA 25.760 0.913 7 15 "[*** .*+ *-****.****2]"
1 109 GLN 7.200 1.007 10 4 "[ . - + * . *]"
1 110 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 PRO 0.430 0.322 5 0 "[ . 1 . 2]"
1 112 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 PHE 39.911 1.951 9 18 "[* ******+*****.***-*]"
1 114 GLN 0.345 0.130 10 0 "[ . 1 . 2]"
1 115 PRO 2.367 0.308 9 0 "[ . 1 . 2]"
1 116 LYS 2.699 0.363 16 0 "[ . 1 . 2]"
1 117 VAL 5.159 1.515 16 4 "[ . * 1 - .+ *2]"
1 118 ILE 21.686 1.523 19 11 "[* .****1-* *. * +*]"
1 119 GLU 8.383 1.031 9 8 "[ * . **+1 ** . - *2]"
1 120 LYS 11.303 1.515 16 7 "[ * . * 1 ** .+- *2]"
1 121 GLN 0.077 0.077 11 0 "[ . 1 . 2]"
1 122 SER 0.383 0.383 11 0 "[ . 1 . 2]"
1 123 VAL 0.165 0.041 14 0 "[ . 1 . 2]"
1 124 ALA 48.301 2.578 15 19 "[************-*+* ***]"
1 125 CYS 8.705 0.822 1 5 "[+ .- * .* * 2]"
1 126 ALA 2.239 1.031 9 2 "[ . -+1 . 2]"
1 127 GLY 1.549 0.498 10 0 "[ . 1 . 2]"
1 128 LEU 12.075 0.834 10 5 "[ * + * . -*2]"
1 129 CYS 7.025 0.598 9 2 "[ . +1 . * 2]"
1 130 SER 9.255 0.697 17 11 "[** . *-** **.*+* 2]"
1 131 TRP 60.115 1.839 18 19 "[******** ****-***+**]"
1 132 VAL 118.654 2.393 18 20 [*****-***********+**]
1 133 ILE 35.706 0.913 7 16 "[*** .*+-******.****2]"
1 134 ALA 0.816 0.123 16 0 "[ . 1 . 2]"
1 135 LEU 149.097 2.663 8 20 [*******+***-********]
1 136 GLU 75.204 2.921 4 20 [***+*-**************]
1 137 LYS 0.182 0.071 10 0 "[ . 1 . 2]"
1 138 TYR 110.863 3.577 10 20 [****-****+**********]
1 139 ASP 54.744 3.450 4 20 [***+***-************]
1 141 VAL 6.593 0.636 10 1 "[ . + . 2]"
1 142 ILE 172.172 3.669 16 20 [****-**********+****]
1 143 LYS 2.767 0.664 14 2 "[ - . 1 +. 2]"
1 144 GLU 3.697 0.636 10 1 "[ . + . 2]"
1 145 VAL 6.741 0.984 14 6 "[ - .* 1 +* * *]"
1 146 GLU 0.315 0.105 6 0 "[ . 1 . 2]"
1 147 PRO 217.974 8.784 14 17 "[***** *******+- ***2]"
1 148 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 ARG 0.138 0.112 10 0 "[ . 1 . 2]"
1 150 GLN 0.427 0.138 14 0 "[ . 1 . 2]"
1 151 LYS 86.878 4.487 9 20 [******-*+***********]
1 152 LEU 304.851 8.784 14 20 [*************+-*****]
1 154 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HA 1 2 SER QB . . 2.510 2.273 2.169 2.493 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 3 GLN HA . . 4.830 4.688 4.635 4.757 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER HA 1 5 ASP QB . . 3.740 3.114 2.681 4.260 0.520 15 1 "[ . 1 + 2]" 1
4 1 2 SER QB 1 3 GLN HA . . 4.560 4.158 3.893 4.635 0.075 9 0 "[ . 1 . 2]" 1
5 1 2 SER QB 1 145 VAL HA . . 4.110 4.301 3.613 5.094 0.984 14 6 "[ - .* 1 +* * *]" 1
6 1 2 SER QB 1 147 PRO QD . . 4.100 2.587 2.168 3.238 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER QB 1 147 PRO QG . . 4.480 2.852 2.208 4.041 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLN HA 1 3 GLN QG . . 3.070 2.355 2.075 3.251 0.181 12 0 "[ . 1 . 2]" 1
9 1 3 GLN QB 1 3 GLN QG . . 2.390 2.051 2.013 2.085 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLN QB 1 4 ALA MB . . 4.010 3.947 3.791 4.599 0.589 12 1 "[ . 1 + . 2]" 1
11 1 3 GLN QG 1 6 LEU MD1 . . 4.500 3.370 2.559 4.391 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLN QG 1 6 LEU QD . . 3.780 2.557 2.113 3.905 0.125 12 0 "[ . 1 . 2]" 1
13 1 3 GLN QG 1 6 LEU MD2 . . 4.500 2.742 2.131 4.376 . 0 0 "[ . 1 . 2]" 1
14 1 4 ALA MB 1 5 ASP HA . . 3.970 3.880 3.797 3.966 . 0 0 "[ . 1 . 2]" 1
15 1 5 ASP HA 1 5 ASP QB . . 2.710 2.435 2.181 2.529 . 0 0 "[ . 1 . 2]" 1
16 1 5 ASP HA 1 141 VAL QG . . 3.810 3.376 3.005 3.642 . 0 0 "[ . 1 . 2]" 1
17 1 5 ASP QB 1 141 VAL HA . . 4.610 3.233 3.084 3.374 . 0 0 "[ . 1 . 2]" 1
18 1 5 ASP QB 1 141 VAL HB . . 4.070 2.724 2.486 2.999 . 0 0 "[ . 1 . 2]" 1
19 1 5 ASP QB 1 141 VAL QG . . 3.570 2.679 2.467 3.097 . 0 0 "[ . 1 . 2]" 1
20 1 6 LEU HA 1 6 LEU QD . . 3.850 3.356 3.325 3.419 . 0 0 "[ . 1 . 2]" 1
21 1 6 LEU HA 1 6 LEU HG . . 3.730 3.681 3.669 3.693 . 0 0 "[ . 1 . 2]" 1
22 1 6 LEU HA 1 9 ALA MB . . 3.650 3.472 3.351 3.598 . 0 0 "[ . 1 . 2]" 1
23 1 6 LEU HA 1 141 VAL HB . . 3.710 2.779 2.524 3.018 . 0 0 "[ . 1 . 2]" 1
24 1 6 LEU HA 1 141 VAL MG1 . . 3.400 3.424 2.982 3.855 0.455 4 0 "[ . 1 . 2]" 1
25 1 6 LEU HA 1 141 VAL QG . . 2.780 2.638 2.442 2.740 . 0 0 "[ . 1 . 2]" 1
26 1 6 LEU HA 1 141 VAL MG2 . . 3.400 2.753 2.567 2.879 . 0 0 "[ . 1 . 2]" 1
27 1 6 LEU QB 1 141 VAL QG . . 3.570 3.600 3.407 3.692 0.122 4 0 "[ . 1 . 2]" 1
28 1 7 ALA HA 1 10 LEU QB . . 4.570 2.185 2.103 2.276 . 0 0 "[ . 1 . 2]" 1
29 1 7 ALA HA 1 10 LEU QD . . 4.420 3.291 2.494 3.613 . 0 0 "[ . 1 . 2]" 1
30 1 7 ALA MB 1 10 LEU QB . . 4.090 3.729 3.659 3.806 . 0 0 "[ . 1 . 2]" 1
31 1 9 ALA MB 1 10 LEU HA . . 4.040 3.795 3.751 3.877 . 0 0 "[ . 1 . 2]" 1
32 1 9 ALA MB 1 137 LYS QB . . 3.370 2.596 2.101 3.121 . 0 0 "[ . 1 . 2]" 1
33 1 9 ALA MB 1 138 TYR HA . . 3.370 2.300 1.990 2.507 . 0 0 "[ . 1 . 2]" 1
34 1 9 ALA MB 1 138 TYR QB . . 4.190 2.984 2.665 3.321 . 0 0 "[ . 1 . 2]" 1
35 1 9 ALA MB 1 138 TYR QD . . 3.510 2.914 2.470 3.188 . 0 0 "[ . 1 . 2]" 1
36 1 9 ALA MB 1 141 VAL MG1 . . 2.870 1.959 1.845 2.104 . 0 0 "[ . 1 . 2]" 1
37 1 9 ALA MB 1 141 VAL QG . . 2.450 1.750 1.654 1.857 . 0 0 "[ . 1 . 2]" 1
38 1 9 ALA MB 1 141 VAL MG2 . . 2.870 1.986 1.810 2.126 . 0 0 "[ . 1 . 2]" 1
39 1 10 LEU HA 1 10 LEU MD1 . . 3.950 2.806 2.204 3.771 . 0 0 "[ . 1 . 2]" 1
40 1 10 LEU HA 1 10 LEU QD . . 2.930 1.979 1.930 2.018 . 0 0 "[ . 1 . 2]" 1
41 1 10 LEU HA 1 10 LEU MD2 . . 3.950 2.081 1.935 2.193 . 0 0 "[ . 1 . 2]" 1
42 1 10 LEU HA 1 13 LEU QB . . 4.940 3.402 3.365 3.471 . 0 0 "[ . 1 . 2]" 1
43 1 10 LEU HA 1 13 LEU QD . . 4.180 4.215 4.125 4.299 0.119 5 0 "[ . 1 . 2]" 1
44 1 10 LEU QB 1 11 PRO QD . . 3.340 1.975 1.890 2.012 . 0 0 "[ . 1 . 2]" 1
45 1 10 LEU QD 1 11 PRO HA . . 5.440 4.569 4.404 4.849 . 0 0 "[ . 1 . 2]" 1
46 1 10 LEU QD 1 11 PRO QD . . 3.780 3.416 3.356 3.442 . 0 0 "[ . 1 . 2]" 1
47 1 10 LEU QD 1 13 LEU QD . . 3.660 3.733 3.617 3.847 0.187 5 0 "[ . 1 . 2]" 1
48 1 10 LEU QD 1 138 TYR QB . . 5.050 4.647 4.377 4.860 . 0 0 "[ . 1 . 2]" 1
49 1 10 LEU QD 1 138 TYR QE . . 3.390 2.290 1.925 2.624 . 0 0 "[ . 1 . 2]" 1
50 1 10 LEU MD1 1 138 TYR QE . . 4.550 3.937 3.208 4.495 . 0 0 "[ . 1 . 2]" 1
51 1 10 LEU MD2 1 138 TYR QE . . 4.550 2.311 1.928 2.656 . 0 0 "[ . 1 . 2]" 1
52 1 11 PRO HA 1 14 GLU QG . . 3.780 2.195 1.962 2.369 . 0 0 "[ . 1 . 2]" 1
53 1 12 LEU HA 1 12 LEU HG . . 3.760 3.232 3.210 3.336 . 0 0 "[ . 1 . 2]" 1
54 1 12 LEU QB 1 134 ALA MB . . 3.160 2.536 2.106 3.125 . 0 0 "[ . 1 . 2]" 1
55 1 12 LEU HB2 1 134 ALA MB . . 4.030 3.162 2.636 3.892 . 0 0 "[ . 1 . 2]" 1
56 1 12 LEU HB3 1 134 ALA MB . . 4.030 2.671 2.214 3.292 . 0 0 "[ . 1 . 2]" 1
57 1 13 LEU HA 1 13 LEU QD . . 2.950 2.202 2.027 2.338 . 0 0 "[ . 1 . 2]" 1
58 1 13 LEU HA 1 13 LEU HG . . 4.140 3.387 3.247 3.473 . 0 0 "[ . 1 . 2]" 1
59 1 13 LEU HA 1 16 ALA MB . . 3.530 3.057 2.805 3.230 . 0 0 "[ . 1 . 2]" 1
60 1 13 LEU HA 1 134 ALA MB . . 3.340 2.014 1.888 2.288 . 0 0 "[ . 1 . 2]" 1
61 1 13 LEU HA 1 135 LEU HA . . 4.060 4.458 3.979 4.854 0.794 15 5 "[** *. 1 - + 2]" 1
62 1 13 LEU QB 1 13 LEU QD . . 2.650 1.943 1.910 1.960 . 0 0 "[ . 1 . 2]" 1
63 1 13 LEU QB 1 135 LEU HA . . 4.220 3.464 2.882 4.030 . 0 0 "[ . 1 . 2]" 1
64 1 13 LEU QD 1 14 GLU HA . . 4.630 3.838 3.563 4.144 . 0 0 "[ . 1 . 2]" 1
65 1 13 LEU QD 1 14 GLU QG . . 4.850 4.995 4.858 5.107 0.257 14 0 "[ . 1 . 2]" 1
66 1 13 LEU QD 1 93 LYS QD . . 3.900 4.723 4.155 5.204 1.304 18 17 "[ ****-********* +**]" 1
67 1 13 LEU QD 1 93 LYS QE . . 3.400 4.832 2.787 6.026 2.626 9 16 "[* *-***+******* * *]" 1
68 1 13 LEU QD 1 93 LYS HG2 . . 6.000 4.337 3.530 5.825 . 0 0 "[ . 1 . 2]" 1
69 1 13 LEU QD 1 93 LYS QG . . 3.620 3.784 3.202 4.344 0.724 14 3 "[ - . *1 +. 2]" 1
70 1 13 LEU QD 1 93 LYS HG3 . . 6.000 4.606 3.264 5.608 . 0 0 "[ . 1 . 2]" 1
71 1 13 LEU QD 1 134 ALA MB . . 3.230 2.926 2.656 3.133 . 0 0 "[ . 1 . 2]" 1
72 1 13 LEU QD 1 135 LEU HA . . 3.580 2.617 2.022 2.962 . 0 0 "[ . 1 . 2]" 1
73 1 13 LEU QD 1 135 LEU QB . . 2.960 3.088 2.628 3.620 0.660 1 1 "[+ . 1 . 2]" 1
74 1 13 LEU QD 1 135 LEU QD . . 2.820 1.889 1.730 2.146 . 0 0 "[ . 1 . 2]" 1
75 1 13 LEU QD 1 135 LEU HG . . 3.230 3.728 3.159 4.299 1.069 1 11 "[+** .**- * **** 2]" 1
76 1 13 LEU QD 1 138 TYR HA . . 5.440 4.479 4.104 4.766 . 0 0 "[ . 1 . 2]" 1
77 1 13 LEU QD 1 138 TYR HB2 . . 6.280 2.698 2.272 2.961 . 0 0 "[ . 1 . 2]" 1
78 1 13 LEU QD 1 138 TYR QB . . 3.900 2.455 1.940 2.747 . 0 0 "[ . 1 . 2]" 1
79 1 13 LEU QD 1 138 TYR HB3 . . 6.280 2.851 2.074 3.259 . 0 0 "[ . 1 . 2]" 1
80 1 13 LEU QD 1 138 TYR QD . . 3.770 2.750 2.541 2.974 . 0 0 "[ . 1 . 2]" 1
81 1 13 LEU QD 1 138 TYR QE . . 3.830 3.222 2.819 3.579 . 0 0 "[ . 1 . 2]" 1
82 1 13 LEU HG 1 14 GLU HA . . 4.480 3.359 3.146 3.621 . 0 0 "[ . 1 . 2]" 1
83 1 13 LEU HG 1 17 LEU MD1 . . 4.610 2.224 1.944 2.834 . 0 0 "[ . 1 . 2]" 1
84 1 13 LEU HG 1 17 LEU QD . . 4.030 2.216 1.942 2.797 . 0 0 "[ . 1 . 2]" 1
85 1 13 LEU HG 1 17 LEU MD2 . . 4.610 4.393 3.886 4.749 0.139 20 0 "[ . 1 . 2]" 1
86 1 14 GLU HA 1 14 GLU QG . . 3.570 3.348 3.324 3.446 . 0 0 "[ . 1 . 2]" 1
87 1 14 GLU HA 1 17 LEU QD . . 3.650 2.363 1.972 3.247 . 0 0 "[ . 1 . 2]" 1
88 1 15 ALA HA 1 18 LYS QE . . 5.130 3.244 2.595 4.168 . 0 0 "[ . 1 . 2]" 1
89 1 16 ALA MB 1 20 LEU QD . . 4.270 3.740 3.059 4.252 . 0 0 "[ . 1 . 2]" 1
90 1 16 ALA MB 1 131 TRP HA . . 3.310 2.031 1.985 2.137 . 0 0 "[ . 1 . 2]" 1
91 1 16 ALA MB 1 131 TRP HB2 . . 4.480 1.962 1.878 2.322 . 0 0 "[ . 1 . 2]" 1
92 1 16 ALA MB 1 131 TRP HD1 . . 3.280 2.605 2.164 3.005 . 0 0 "[ . 1 . 2]" 1
93 1 17 LEU HA 1 17 LEU QD . . 3.290 2.604 2.103 3.063 . 0 0 "[ . 1 . 2]" 1
94 1 17 LEU HA 1 131 TRP HB2 . . 4.430 4.399 3.940 4.917 0.487 5 0 "[ . 1 . 2]" 1
95 1 17 LEU HA 1 131 TRP HD1 . . 4.350 4.612 4.372 4.989 0.639 5 1 "[ + 1 . 2]" 1
96 1 17 LEU QB 1 17 LEU QD . . 2.360 1.825 1.737 1.921 . 0 0 "[ . 1 . 2]" 1
97 1 17 LEU QD 1 131 TRP HD1 . . 3.360 3.060 2.117 3.692 0.332 5 0 "[ . 1 . 2]" 1
98 1 18 LYS HA 1 18 LYS QD . . 3.680 3.709 3.650 3.771 0.091 19 0 "[ . 1 . 2]" 1
99 1 18 LYS HA 1 21 ASP HB2 . . 3.850 2.908 2.442 3.739 . 0 0 "[ . 1 . 2]" 1
100 1 18 LYS HA 1 21 ASP HB3 . . 3.850 3.044 2.594 3.857 0.007 15 0 "[ . 1 . 2]" 1
101 1 18 LYS QE 1 18 LYS QG . . 3.320 2.189 2.026 2.511 . 0 0 "[ . 1 . 2]" 1
102 1 18 LYS QE 1 22 THR MG . . 4.590 4.642 3.832 5.501 0.911 16 4 "[* . 1 *-+ 2]" 1
103 1 19 ALA MB 1 20 LEU HA . . 3.890 3.805 3.599 3.925 0.035 15 0 "[ . 1 . 2]" 1
104 1 19 ALA MB 1 20 LEU QD . . 3.720 2.709 2.341 3.452 . 0 0 "[ . 1 . 2]" 1
105 1 19 ALA MB 1 20 LEU HG . . 3.510 3.330 2.909 3.646 0.136 20 0 "[ . 1 . 2]" 1
106 1 19 ALA MB 1 22 THR MG . . 3.610 4.102 3.162 4.832 1.222 11 10 "[ * ***** *+ -. *2]" 1
107 1 19 ALA MB 1 127 GLY HA2 . . 3.770 2.275 2.042 2.657 . 0 0 "[ . 1 . 2]" 1
108 1 19 ALA MB 1 127 GLY QA . . 3.280 1.879 1.825 2.018 . 0 0 "[ . 1 . 2]" 1
109 1 19 ALA MB 1 127 GLY HA3 . . 3.770 2.020 1.911 2.243 . 0 0 "[ . 1 . 2]" 1
110 1 20 LEU HA 1 20 LEU QD . . 2.970 2.366 2.088 3.125 0.155 9 0 "[ . 1 . 2]" 1
111 1 20 LEU HA 1 23 LEU HA . . 5.080 5.099 4.620 5.755 0.675 20 1 "[ . 1 . +]" 1
112 1 20 LEU HA 1 23 LEU QB . . 3.470 2.280 1.995 3.170 . 0 0 "[ . 1 . 2]" 1
113 1 20 LEU HA 1 23 LEU MD1 . . 4.310 3.727 2.153 5.072 0.762 19 2 "[ . 1 - . +2]" 1
114 1 20 LEU HA 1 23 LEU QD . . 2.970 2.706 1.844 3.591 0.621 19 2 "[ . 1 - . +2]" 1
115 1 20 LEU HA 1 23 LEU MD2 . . 4.310 2.835 1.845 3.673 . 0 0 "[ . 1 . 2]" 1
116 1 20 LEU HA 1 85 LEU QB . . 4.250 4.198 3.830 4.856 0.606 14 1 "[ . 1 +. 2]" 1
117 1 20 LEU HA 1 85 LEU QD . . 3.790 3.061 2.328 3.879 0.089 17 0 "[ . 1 . 2]" 1
118 1 20 LEU HA 1 89 ARG QB . . 5.360 6.710 5.907 7.589 2.229 20 20 [********-**********+] 1
119 1 20 LEU QB 1 20 LEU QD . . 2.690 1.904 1.759 1.945 . 0 0 "[ . 1 . 2]" 1
120 1 20 LEU QB 1 85 LEU QB . . 3.460 2.322 1.933 3.168 . 0 0 "[ . 1 . 2]" 1
121 1 20 LEU QB 1 85 LEU QD . . 3.370 2.509 1.932 3.113 . 0 0 "[ . 1 . 2]" 1
122 1 20 LEU QB 1 88 LEU QD . . 3.980 3.382 3.078 3.719 . 0 0 "[ . 1 . 2]" 1
123 1 20 LEU QB 1 88 LEU HG . . 4.650 4.625 4.354 4.880 0.230 17 0 "[ . 1 . 2]" 1
124 1 20 LEU QB 1 89 ARG QG . . 4.300 4.626 3.183 5.194 0.894 17 13 "[ ******* * * * +*-2]" 1
125 1 20 LEU QD 1 23 LEU QD . . 3.060 2.974 2.276 3.635 0.575 10 3 "[ . + * . -2]" 1
126 1 20 LEU QD 1 48 ILE MD . . 4.200 4.616 4.185 5.133 0.933 4 8 "[ * +. * 1 ***. *- 2]" 1
127 1 20 LEU QD 1 85 LEU HA . . 4.070 3.139 2.893 3.648 . 0 0 "[ . 1 . 2]" 1
128 1 20 LEU QD 1 85 LEU QD . . 3.000 2.031 1.745 2.333 . 0 0 "[ . 1 . 2]" 1
129 1 20 LEU QD 1 88 LEU QB . . 4.470 3.721 3.616 3.924 . 0 0 "[ . 1 . 2]" 1
130 1 20 LEU QD 1 88 LEU QD . . 2.780 1.644 1.599 1.718 . 0 0 "[ . 1 . 2]" 1
131 1 20 LEU QD 1 88 LEU HG . . 4.210 2.521 2.368 2.703 . 0 0 "[ . 1 . 2]" 1
132 1 20 LEU QD 1 89 ARG HA . . 3.630 3.716 3.088 3.973 0.343 17 0 "[ . 1 . 2]" 1
133 1 20 LEU QD 1 89 ARG QB . . 2.790 2.671 2.266 3.522 0.732 20 2 "[ . 1 -. +]" 1
134 1 20 LEU QD 1 89 ARG QD . . 4.500 3.780 2.318 5.066 0.566 9 1 "[ . +1 . 2]" 1
135 1 20 LEU QD 1 89 ARG QG . . 4.530 3.629 1.801 3.961 . 0 0 "[ . 1 . 2]" 1
136 1 20 LEU QD 1 127 GLY QA . . 4.360 2.642 2.296 3.450 . 0 0 "[ . 1 . 2]" 1
137 1 20 LEU QD 1 128 LEU HA . . 3.390 2.996 2.606 3.136 . 0 0 "[ . 1 . 2]" 1
138 1 20 LEU QD 1 128 LEU QB . . 3.980 4.027 3.770 4.200 0.220 3 0 "[ . 1 . 2]" 1
139 1 20 LEU QD 1 128 LEU QD . . 2.870 2.057 1.851 2.354 . 0 0 "[ . 1 . 2]" 1
140 1 20 LEU QD 1 128 LEU HG . . 4.070 3.947 3.652 4.335 0.265 8 0 "[ . 1 . 2]" 1
141 1 20 LEU QD 1 131 TRP HA . . 4.560 5.250 4.499 5.554 0.994 10 17 "[******** +*** * **-*]" 1
142 1 20 LEU QD 1 131 TRP HB2 . . 4.650 3.481 2.696 3.811 . 0 0 "[ . 1 . 2]" 1
143 1 20 LEU QD 1 131 TRP HD1 . . 3.730 4.628 4.099 4.991 1.261 10 18 "[******** +***-* ****]" 1
144 1 20 LEU MD1 1 85 LEU HA . . 4.630 3.544 3.060 5.433 0.803 14 2 "[ . -1 +. 2]" 1
145 1 20 LEU MD1 1 128 LEU QD . . 3.800 3.378 3.083 3.874 0.074 16 0 "[ . 1 . 2]" 1
146 1 20 LEU MD1 1 131 TRP HB3 . . 4.360 4.239 3.353 4.622 0.262 17 0 "[ . 1 . 2]" 1
147 1 20 LEU MD2 1 85 LEU HA . . 4.630 4.001 3.087 4.563 . 0 0 "[ . 1 . 2]" 1
148 1 20 LEU MD2 1 128 LEU QD . . 3.800 2.077 1.854 2.378 . 0 0 "[ . 1 . 2]" 1
149 1 20 LEU MD2 1 131 TRP HB3 . . 4.360 4.405 4.034 4.861 0.501 14 1 "[ . 1 +. 2]" 1
150 1 22 THR HA 1 22 THR MG . . 3.250 2.831 2.433 3.207 . 0 0 "[ . 1 . 2]" 1
151 1 23 LEU HA 1 23 LEU MD1 . . 4.120 2.329 1.905 3.280 . 0 0 "[ . 1 . 2]" 1
152 1 23 LEU HA 1 23 LEU QD . . 3.050 2.286 1.808 3.156 0.106 20 0 "[ . 1 . 2]" 1
153 1 23 LEU HA 1 23 LEU MD2 . . 4.120 3.497 2.250 4.104 . 0 0 "[ . 1 . 2]" 1
154 1 23 LEU HA 1 23 LEU HG . . 3.850 2.804 2.372 3.628 . 0 0 "[ . 1 . 2]" 1
155 1 23 LEU HA 1 27 ASP QB . . 4.800 4.375 4.080 4.723 . 0 0 "[ . 1 . 2]" 1
156 1 23 LEU HA 1 85 LEU QD . . 5.440 5.019 4.435 5.958 0.518 17 1 "[ . 1 . + 2]" 1
157 1 23 LEU HA 1 124 ALA MB . . 5.500 4.687 3.650 5.733 0.233 17 0 "[ . 1 . 2]" 1
158 1 23 LEU QB 1 27 ASP QB . . 4.630 3.842 3.492 4.181 . 0 0 "[ . 1 . 2]" 1
159 1 23 LEU QB 1 85 LEU QB . . 4.330 4.601 3.956 5.864 1.534 20 4 "[ . 1 * . -* +]" 1
160 1 23 LEU QB 1 85 LEU QD . . 3.170 2.749 2.214 3.725 0.555 20 1 "[ . 1 . +]" 1
161 1 23 LEU QB 1 85 LEU HG . . 4.700 5.259 3.902 6.618 1.918 20 13 "[ **-.** ** ***. **+]" 1
162 1 23 LEU QD 1 27 ASP HA . . 5.440 5.610 4.241 6.266 0.826 18 8 "[ * . **1* *-* + 2]" 1
163 1 23 LEU QD 1 27 ASP QB . . 3.640 3.261 1.909 3.900 0.260 18 0 "[ . 1 . 2]" 1
164 1 23 LEU QD 1 124 ALA HA . . 2.980 2.065 1.817 3.390 0.410 20 0 "[ . 1 . 2]" 1
165 1 23 LEU QD 1 124 ALA MB . . 2.870 2.156 1.811 2.841 . 0 0 "[ . 1 . 2]" 1
166 1 23 LEU QD 1 125 CYS HA . . 4.860 4.081 2.910 5.060 0.200 10 0 "[ . 1 . 2]" 1
167 1 23 LEU QD 1 127 GLY QA . . 3.680 3.364 2.554 4.178 0.498 10 0 "[ . 1 . 2]" 1
168 1 23 LEU QD 1 128 LEU QD . . 3.640 3.385 2.280 4.474 0.834 10 4 "[ * + * . -2]" 1
169 1 23 LEU MD1 1 124 ALA HA . . 3.610 2.526 1.925 4.107 0.497 20 0 "[ . 1 . 2]" 1
170 1 23 LEU MD2 1 124 ALA HA . . 3.610 2.435 1.934 3.612 0.002 20 0 "[ . 1 . 2]" 1
171 1 24 LYS HA 1 24 LYS QD . . 3.520 3.501 1.986 4.083 0.563 11 4 "[ - . *1+ . * 2]" 1
172 1 24 LYS HA 1 24 LYS QG . . 3.460 2.338 2.187 2.639 . 0 0 "[ . 1 . 2]" 1
173 1 24 LYS HA 1 85 LEU QD . . 4.720 4.571 3.784 5.285 0.565 13 3 "[ . -1 + . *2]" 1
174 1 24 LYS QB 1 24 LYS QE . . 4.210 2.854 1.974 3.745 . 0 0 "[ . 1 . 2]" 1
175 1 25 PRO HA 1 28 ILE MD . . 3.870 3.557 1.952 4.621 0.751 17 7 "[ -*.* 1** *. + 2]" 1
176 1 25 PRO HA 1 28 ILE HG12 . . 4.340 3.500 2.399 4.584 0.244 19 0 "[ . 1 . 2]" 1
177 1 25 PRO HA 1 28 ILE QG . . 3.780 2.784 2.176 3.067 . 0 0 "[ . 1 . 2]" 1
178 1 25 PRO HA 1 28 ILE HG13 . . 4.340 3.238 2.492 3.915 . 0 0 "[ . 1 . 2]" 1
179 1 25 PRO HA 1 85 LEU QD . . 3.650 3.532 2.305 4.297 0.647 19 3 "[ . -1 * . +2]" 1
180 1 26 ALA HA 1 29 THR MG . . 2.790 2.020 1.888 2.323 . 0 0 "[ . 1 . 2]" 1
181 1 26 ALA MB 1 27 ASP HA . . 4.360 3.866 3.786 3.955 . 0 0 "[ . 1 . 2]" 1
182 1 27 ASP HA 1 30 GLU HB2 . . 3.840 2.915 2.289 3.396 . 0 0 "[ . 1 . 2]" 1
183 1 27 ASP HA 1 30 GLU HB3 . . 3.840 3.462 2.830 4.270 0.430 4 0 "[ . 1 . 2]" 1
184 1 27 ASP HA 1 124 ALA MB . . 3.950 5.106 3.484 6.528 2.578 15 18 "[************ *+- ***]" 1
185 1 27 ASP QB 1 124 ALA MB . . 3.290 3.252 2.107 4.287 0.997 15 3 "[ * 1 - + 2]" 1
186 1 28 ILE HA 1 28 ILE HG12 . . 4.010 3.051 2.641 3.668 . 0 0 "[ . 1 . 2]" 1
187 1 28 ILE HA 1 28 ILE QG . . 3.520 2.880 2.521 3.222 . 0 0 "[ . 1 . 2]" 1
188 1 28 ILE HA 1 28 ILE HG13 . . 4.010 3.560 3.169 3.824 . 0 0 "[ . 1 . 2]" 1
189 1 28 ILE HA 1 28 ILE MG . . 2.840 2.198 1.976 2.293 . 0 0 "[ . 1 . 2]" 1
190 1 28 ILE HA 1 31 VAL QG . . 4.230 3.323 2.782 3.712 . 0 0 "[ . 1 . 2]" 1
191 1 28 ILE HA 1 79 LEU QD . . 4.480 4.136 3.196 4.722 0.242 4 0 "[ . 1 . 2]" 1
192 1 28 ILE HA 1 85 LEU QD . . 4.700 4.551 3.921 5.326 0.626 18 1 "[ . 1 . + 2]" 1
193 1 28 ILE HA 1 124 ALA MB . . 3.740 4.659 2.527 6.005 2.265 15 17 "[** *** *****-*+* ***]" 1
194 1 28 ILE HB 1 28 ILE MD . . 3.370 2.841 2.256 3.230 . 0 0 "[ . 1 . 2]" 1
195 1 28 ILE HB 1 29 THR MG . . 4.760 4.213 3.880 4.846 0.086 16 0 "[ . 1 . 2]" 1
196 1 28 ILE HB 1 79 LEU QD . . 3.960 4.668 3.327 4.907 0.947 4 19 "[*-*+*********** ****]" 1
197 1 28 ILE HB 1 84 PHE QB . . 4.680 4.553 4.000 5.475 0.795 20 2 "[ . 1 . - +]" 1
198 1 28 ILE MD 1 79 LEU QD . . 3.650 4.261 3.726 4.633 0.983 4 13 "[* *+* **** * . -***]" 1
199 1 28 ILE MD 1 85 LEU HG . . 3.870 2.839 1.892 3.877 0.007 16 0 "[ . 1 . 2]" 1
200 1 28 ILE QG 1 28 ILE MG . . 2.840 2.247 2.031 2.313 . 0 0 "[ . 1 . 2]" 1
201 1 28 ILE QG 1 29 THR MG . . 4.060 4.769 3.289 5.041 0.981 4 19 "[***+****-****** ****]" 1
202 1 28 ILE QG 1 85 LEU QD . . 3.000 2.226 1.809 3.105 0.105 18 0 "[ . 1 . 2]" 1
203 1 28 ILE HG12 1 85 LEU QD . . 5.200 2.603 2.054 3.377 . 0 0 "[ . 1 . 2]" 1
204 1 28 ILE HG13 1 85 LEU QD . . 5.200 2.651 1.853 3.693 . 0 0 "[ . 1 . 2]" 1
205 1 28 ILE MG 1 79 LEU HA . . 3.750 2.029 1.888 2.780 . 0 0 "[ . 1 . 2]" 1
206 1 28 ILE MG 1 79 LEU HB2 . . 4.590 3.315 2.943 4.081 . 0 0 "[ . 1 . 2]" 1
207 1 28 ILE MG 1 79 LEU QB . . 3.840 1.940 1.855 2.578 . 0 0 "[ . 1 . 2]" 1
208 1 28 ILE MG 1 79 LEU HB3 . . 4.590 1.954 1.867 2.606 . 0 0 "[ . 1 . 2]" 1
209 1 28 ILE MG 1 79 LEU QD . . 2.620 2.549 2.354 2.869 0.249 4 0 "[ . 1 . 2]" 1
210 1 28 ILE MG 1 84 PHE QD . . 3.820 2.539 1.941 3.366 . 0 0 "[ . 1 . 2]" 1
211 1 28 ILE MG 1 84 PHE QE . . 4.240 3.411 2.494 4.008 . 0 0 "[ . 1 . 2]" 1
212 1 29 THR HA 1 29 THR MG . . 3.240 3.201 3.190 3.207 . 0 0 "[ . 1 . 2]" 1
213 1 29 THR HA 1 32 LYS QB . . 3.240 2.695 2.598 2.851 . 0 0 "[ . 1 . 2]" 1
214 1 29 THR HA 1 32 LYS QE . . 3.540 4.292 3.711 5.130 1.590 4 18 "[***+********-** ** *]" 1
215 1 29 THR MG 1 30 GLU QB . . 4.040 3.416 3.206 3.550 . 0 0 "[ . 1 . 2]" 1
216 1 29 THR MG 1 30 GLU HG2 . . 5.410 5.401 4.485 5.732 0.322 10 0 "[ . 1 . 2]" 1
217 1 29 THR MG 1 30 GLU HG3 . . 5.410 4.982 3.928 5.603 0.193 3 0 "[ . 1 . 2]" 1
218 1 29 THR MG 1 32 LYS QB . . 4.860 4.374 4.146 4.547 . 0 0 "[ . 1 . 2]" 1
219 1 29 THR MG 1 32 LYS QE . . 4.330 4.951 4.801 5.037 0.707 4 19 "[***+********-***** *]" 1
220 1 30 GLU HA 1 30 GLU QG . . 3.290 2.402 2.213 2.995 . 0 0 "[ . 1 . 2]" 1
221 1 30 GLU QB 1 30 GLU QG . . 2.370 2.058 1.984 2.086 . 0 0 "[ . 1 . 2]" 1
222 1 30 GLU QB 1 31 VAL QG . . 4.100 3.188 2.981 4.316 0.216 10 0 "[ . 1 . 2]" 1
223 1 31 VAL HA 1 31 VAL MG1 . . 2.960 2.369 2.294 3.185 0.225 10 0 "[ . 1 . 2]" 1
224 1 31 VAL HA 1 31 VAL MG2 . . 2.960 2.358 2.268 2.436 . 0 0 "[ . 1 . 2]" 1
225 1 31 VAL HA 1 34 MET QB . . 4.450 3.523 2.177 4.425 . 0 0 "[ . 1 . 2]" 1
226 1 31 VAL HA 1 34 MET QG . . 3.570 3.157 2.362 4.053 0.483 19 0 "[ . 1 . 2]" 1
227 1 31 VAL HB 1 32 LYS HA . . 4.820 4.378 4.243 5.566 0.746 10 1 "[ . + . 2]" 1
228 1 31 VAL HB 1 79 LEU QD . . 3.330 2.070 1.873 3.809 0.479 10 0 "[ . 1 . 2]" 1
229 1 31 VAL QG 1 32 LYS HA . . 3.760 3.578 3.007 3.669 . 0 0 "[ . 1 . 2]" 1
230 1 31 VAL QG 1 34 MET QG . . 3.890 3.694 2.925 4.579 0.689 19 4 "[ - . 1 * *+2]" 1
231 1 31 VAL QG 1 72 TRP HH2 . . 3.450 7.628 6.405 8.804 5.354 5 20 [****+**********-****] 1
232 1 31 VAL QG 1 72 TRP HZ2 . . 4.230 5.733 4.454 6.894 2.664 5 19 "[****+********** -***]" 1
233 1 31 VAL QG 1 79 LEU QD . . 2.450 1.956 1.716 2.084 . 0 0 "[ . 1 . 2]" 1
234 1 31 VAL MG1 1 79 LEU QD . . 4.710 1.996 1.728 2.164 . 0 0 "[ . 1 . 2]" 1
235 1 31 VAL MG2 1 79 LEU QD . . 4.710 2.856 2.608 3.209 . 0 0 "[ . 1 . 2]" 1
236 1 32 LYS HA 1 32 LYS QD . . 4.570 3.340 3.140 4.096 . 0 0 "[ . 1 . 2]" 1
237 1 32 LYS HA 1 32 LYS QG . . 3.340 2.117 2.071 2.229 . 0 0 "[ . 1 . 2]" 1
238 1 32 LYS HA 1 72 TRP HZ2 . . 5.480 5.412 4.776 6.320 0.840 5 3 "[ -+ 1 *. 2]" 1
239 1 32 LYS HA 1 76 LYS HA . . 4.240 4.293 3.745 4.810 0.570 10 2 "[- . + . 2]" 1
240 1 32 LYS HA 1 76 LYS HD2 . . 4.320 3.754 2.578 4.761 0.441 13 0 "[ . 1 . 2]" 1
241 1 32 LYS HA 1 76 LYS QE . . 5.340 4.812 3.631 5.767 0.427 13 0 "[ . 1 . 2]" 1
242 1 32 LYS HA 1 79 LEU QB . . 4.580 4.275 3.677 4.580 . 0 0 "[ . 1 . 2]" 1
243 1 32 LYS HA 1 79 LEU QD . . 3.350 3.618 3.041 3.944 0.594 17 5 "[* . 1*- . + *]" 1
244 1 32 LYS QB 1 32 LYS QE . . 3.810 1.998 1.948 2.120 . 0 0 "[ . 1 . 2]" 1
245 1 32 LYS QB 1 76 LYS QB . . 3.520 3.847 3.363 4.283 0.763 14 2 "[ . 1 - +. 2]" 1
246 1 32 LYS QB 1 79 LEU QB . . 4.260 2.931 2.531 3.452 . 0 0 "[ . 1 . 2]" 1
247 1 32 LYS QB 1 79 LEU QD . . 3.160 3.592 3.114 3.918 0.758 4 8 "[* +.* 1** . -* *]" 1
248 1 32 LYS QD 1 76 LYS HA . . 4.910 5.531 5.092 5.967 1.057 12 13 "[** *.*- *1*+ *** **]" 1
249 1 32 LYS QD 1 79 LEU QD . . 4.530 5.357 5.077 5.667 1.137 20 20 [*********-*********+] 1
250 1 32 LYS QD 1 80 MET QG . . 3.990 4.521 1.854 5.106 1.116 12 15 "[* ****-**+**** **]" 1
251 1 32 LYS QE 1 79 LEU QD . . 5.090 5.547 5.283 6.289 1.199 4 6 "[* +. 1-* . * *]" 1
252 1 32 LYS QG 1 76 LYS HA . . 4.210 3.722 3.252 4.123 . 0 0 "[ . 1 . 2]" 1
253 1 32 LYS QG 1 79 LEU QD . . 3.880 3.852 3.471 4.196 0.316 20 0 "[ . 1 . 2]" 1
254 1 34 MET HA 1 34 MET HG2 . . 3.920 2.922 2.150 3.808 . 0 0 "[ . 1 . 2]" 1
255 1 34 MET HA 1 34 MET HG3 . . 3.920 3.507 2.773 3.864 . 0 0 "[ . 1 . 2]" 1
256 1 34 MET QB 1 35 LYS QD . . 4.380 4.870 3.418 5.831 1.451 7 11 "[ * .*+* 1****.*- *2]" 1
257 1 34 MET QB 1 35 LYS QG . . 4.270 3.605 2.683 5.053 0.783 18 2 "[ . - 1 . + 2]" 1
258 1 34 MET QG 1 35 LYS QG . . 5.180 4.880 3.173 6.292 1.112 18 4 "[ . 1 * *. +-2]" 1
259 1 35 LYS HA 1 35 LYS QB . . 2.690 2.270 2.177 2.512 . 0 0 "[ . 1 . 2]" 1
260 1 35 LYS HA 1 35 LYS QD . . 3.920 3.754 2.049 4.371 0.451 6 0 "[ . 1 . 2]" 1
261 1 35 LYS HA 1 35 LYS QG . . 3.440 3.069 2.276 3.371 . 0 0 "[ . 1 . 2]" 1
262 1 35 LYS QB 1 35 LYS HG2 . . 2.650 2.385 2.134 2.517 . 0 0 "[ . 1 . 2]" 1
263 1 35 LYS QB 1 35 LYS HG3 . . 2.650 2.270 2.146 2.504 . 0 0 "[ . 1 . 2]" 1
264 1 35 LYS QB 1 36 SER QB . . 4.370 3.750 3.000 4.975 0.605 15 1 "[ . 1 + 2]" 1
265 1 35 LYS QE 1 35 LYS QG . . 3.280 2.210 2.026 2.498 . 0 0 "[ . 1 . 2]" 1
266 1 35 LYS QE 1 36 SER QB . . 4.690 4.737 3.227 7.388 2.698 18 5 "[ .** 1 -* + 2]" 1
267 1 35 LYS QG 1 36 SER QB . . 4.400 3.818 2.520 5.611 1.211 14 6 "[ . * 1* +* *-2]" 1
268 1 38 PRO HA 1 41 VAL QG . . 4.620 5.009 4.824 5.119 0.499 16 0 "[ . 1 . 2]" 1
269 1 38 PRO QB 1 41 VAL QG . . 4.370 3.201 2.787 3.559 . 0 0 "[ . 1 . 2]" 1
270 1 38 PRO QD 1 41 VAL HB . . 4.560 2.443 1.988 3.019 . 0 0 "[ . 1 . 2]" 1
271 1 38 PRO QD 1 41 VAL QG . . 3.540 2.809 1.981 3.219 . 0 0 "[ . 1 . 2]" 1
272 1 38 PRO HG2 1 41 VAL HA . . 4.460 4.137 4.027 4.374 . 0 0 "[ . 1 . 2]" 1
273 1 38 PRO HG2 1 41 VAL HB . . 2.820 2.025 1.975 2.678 . 0 0 "[ . 1 . 2]" 1
274 1 38 PRO HG2 1 41 VAL QG . . 3.570 1.966 1.916 2.116 . 0 0 "[ . 1 . 2]" 1
275 1 38 PRO HG3 1 41 VAL QG . . 3.240 2.392 2.254 2.684 . 0 0 "[ . 1 . 2]" 1
276 1 39 ALA HA 1 42 ARG QB . . 4.990 3.327 2.690 3.685 . 0 0 "[ . 1 . 2]" 1
277 1 39 ALA HA 1 42 ARG QG . . 4.490 2.194 1.929 2.969 . 0 0 "[ . 1 . 2]" 1
278 1 40 GLY QA 1 44 VAL QG . . 4.110 3.801 3.332 4.533 0.423 5 0 "[ . 1 . 2]" 1
279 1 40 GLY QA 1 118 ILE MD . . 3.790 3.366 2.437 4.534 0.744 19 2 "[ . 1 - . +2]" 1
280 1 41 VAL H 1 41 VAL QG . . 3.760 2.143 1.928 2.389 . 0 0 "[ . 1 . 2]" 1
281 1 41 VAL HA 1 41 VAL MG1 . . 3.320 2.348 2.233 2.427 . 0 0 "[ . 1 . 2]" 1
282 1 41 VAL HA 1 41 VAL QG . . 2.750 2.103 2.040 2.147 . 0 0 "[ . 1 . 2]" 1
283 1 41 VAL HA 1 41 VAL MG2 . . 3.320 2.379 2.315 2.490 . 0 0 "[ . 1 . 2]" 1
284 1 41 VAL QG 1 42 ARG HA . . 4.410 3.607 3.354 3.827 . 0 0 "[ . 1 . 2]" 1
285 1 41 VAL QG 1 72 TRP HH2 . . 4.260 10.603 9.027 11.990 7.730 5 20 [****+***********-***] 1
286 1 41 VAL QG 1 72 TRP HZ2 . . 5.330 8.858 7.284 10.253 4.923 5 20 [****+***********-***] 1
287 1 41 VAL QG 1 79 LEU QD . . 4.420 3.406 2.863 4.176 . 0 0 "[ . 1 . 2]" 1
288 1 41 VAL QG 1 118 ILE MD . . 5.440 3.447 2.613 4.205 . 0 0 "[ . 1 . 2]" 1
289 1 41 VAL QG 1 122 SER QB . . 4.100 2.364 1.860 2.831 . 0 0 "[ . 1 . 2]" 1
290 1 41 VAL QG 1 125 CYS QB . . 3.850 2.288 1.777 2.742 . 0 0 "[ . 1 . 2]" 1
291 1 41 VAL MG1 1 42 ARG HA . . 5.380 3.665 3.387 3.925 . 0 0 "[ . 1 . 2]" 1
292 1 41 VAL MG2 1 42 ARG HA . . 5.380 5.404 5.301 5.439 0.059 1 0 "[ . 1 . 2]" 1
293 1 42 ARG HA 1 42 ARG QD . . 4.580 4.370 3.625 4.560 . 0 0 "[ . 1 . 2]" 1
294 1 42 ARG QB 1 42 ARG QD . . 2.970 2.281 2.083 2.428 . 0 0 "[ . 1 . 2]" 1
295 1 43 ARG HA 1 43 ARG HG2 . . 3.960 2.734 2.157 3.578 . 0 0 "[ . 1 . 2]" 1
296 1 43 ARG HA 1 43 ARG QG . . 3.400 2.318 2.113 2.832 . 0 0 "[ . 1 . 2]" 1
297 1 43 ARG HA 1 43 ARG HG3 . . 3.960 2.910 2.150 3.694 . 0 0 "[ . 1 . 2]" 1
298 1 43 ARG QB 1 118 ILE MD . . 3.640 4.274 3.587 5.163 1.523 19 11 "[* .****1-* *. * +*]" 1
299 1 43 ARG QG 1 113 PHE QD . . 4.550 5.149 4.193 6.298 1.748 20 9 "[ . ***1 ***. * -+]" 1
300 1 43 ARG QG 1 113 PHE QE . . 5.340 6.139 5.067 7.291 1.951 9 12 "[ ** **+1 ***. **-*]" 1
301 1 44 VAL HA 1 44 VAL QG . . 3.150 2.140 2.054 2.420 . 0 0 "[ . 1 . 2]" 1
302 1 44 VAL HA 1 47 ALA MB . . 3.690 3.012 2.437 3.775 0.085 9 0 "[ . 1 . 2]" 1
303 1 44 VAL HA 1 113 PHE QD . . 4.610 2.750 2.083 3.410 . 0 0 "[ . 1 . 2]" 1
304 1 44 VAL HA 1 113 PHE QE . . 3.610 2.010 1.974 2.262 . 0 0 "[ . 1 . 2]" 1
305 1 44 VAL HA 1 113 PHE HZ . . 4.310 4.285 3.929 4.707 0.397 12 0 "[ . 1 . 2]" 1
306 1 44 VAL HA 1 129 CYS QB . . 4.350 3.656 2.949 4.338 . 0 0 "[ . 1 . 2]" 1
307 1 44 VAL HA 1 132 VAL QG . . 4.590 4.432 3.752 5.533 0.943 9 2 "[ . +1 . -]" 1
308 1 44 VAL QG 1 118 ILE HB . . 4.440 3.804 3.459 4.269 . 0 0 "[ . 1 . 2]" 1
309 1 44 VAL QG 1 118 ILE MD . . 2.800 1.850 1.696 2.043 . 0 0 "[ . 1 . 2]" 1
310 1 44 VAL QG 1 118 ILE MG . . 3.020 2.341 1.904 2.919 . 0 0 "[ . 1 . 2]" 1
311 1 44 VAL QG 1 122 SER QB . . 5.090 4.349 3.281 5.473 0.383 11 0 "[ . 1 . 2]" 1
312 1 44 VAL QG 1 129 CYS HA . . 3.900 2.860 2.182 3.824 . 0 0 "[ . 1 . 2]" 1
313 1 44 VAL QG 1 129 CYS QB . . 2.920 1.807 1.623 2.246 . 0 0 "[ . 1 . 2]" 1
314 1 45 LEU H 1 45 LEU QD . . 4.440 3.002 2.913 3.097 . 0 0 "[ . 1 . 2]" 1
315 1 45 LEU HA 1 45 LEU QD . . 3.380 3.353 3.308 3.399 0.019 16 0 "[ . 1 . 2]" 1
316 1 45 LEU QB 1 45 LEU QD . . 2.800 1.839 1.811 1.865 . 0 0 "[ . 1 . 2]" 1
317 1 45 LEU QD 1 48 ILE HB . . 4.480 4.595 3.981 5.011 0.531 11 2 "[- . 1+ . 2]" 1
318 1 45 LEU QD 1 72 TRP HH2 . . 3.710 8.643 7.223 10.320 6.610 20 20 [****************-**+] 1
319 1 45 LEU QD 1 72 TRP HZ2 . . 4.440 7.043 5.508 8.916 4.476 20 20 [****************-**+] 1
320 1 45 LEU QD 1 72 TRP HZ3 . . 3.410 9.000 7.806 10.313 6.903 20 20 [****************-**+] 1
321 1 45 LEU QD 1 76 LYS HA . . 4.180 3.949 3.264 4.607 0.427 20 0 "[ . 1 . 2]" 1
322 1 45 LEU QD 1 79 LEU QD . . 2.530 2.198 1.835 2.362 . 0 0 "[ . 1 . 2]" 1
323 1 45 LEU QD 1 84 PHE HZ . . 4.170 5.071 4.354 5.739 1.569 11 16 "[******** *+**-.*** 2]" 1
324 1 45 LEU QD 1 125 CYS QB . . 4.690 4.939 4.192 5.512 0.822 1 5 "[+ .- * .* * 2]" 1
325 1 46 GLU HA 1 46 GLU HG2 . . 4.170 3.363 2.509 4.237 0.067 12 0 "[ . 1 . 2]" 1
326 1 46 GLU HA 1 46 GLU HG3 . . 4.170 3.312 2.485 3.701 . 0 0 "[ . 1 . 2]" 1
327 1 46 GLU QG 1 50 ILE MD . . 4.160 4.373 4.135 4.519 0.359 1 0 "[ . 1 . 2]" 1
328 1 46 GLU QG 1 50 ILE QG . . 4.350 4.085 3.216 5.483 1.133 18 3 "[ .* 1 - . + 2]" 1
329 1 47 ALA HA 1 48 ILE MD . . 5.190 5.537 4.404 6.212 1.022 3 12 "[- + .*** ** .*****]" 1
330 1 47 ALA HA 1 50 ILE HB . . 4.060 3.034 2.314 3.628 . 0 0 "[ . 1 . 2]" 1
331 1 47 ALA HA 1 50 ILE MG . . 4.380 4.172 3.700 4.373 . 0 0 "[ . 1 . 2]" 1
332 1 47 ALA HA 1 104 ILE MG . . 3.760 2.769 2.299 3.208 . 0 0 "[ . 1 . 2]" 1
333 1 47 ALA HA 1 132 VAL QG . . 5.060 3.982 3.290 5.015 . 0 0 "[ . 1 . 2]" 1
334 1 47 ALA MB 1 48 ILE H . . 4.020 3.060 2.966 3.119 . 0 0 "[ . 1 . 2]" 1
335 1 47 ALA MB 1 48 ILE QG . . 3.810 3.381 3.091 3.710 . 0 0 "[ . 1 . 2]" 1
336 1 47 ALA MB 1 50 ILE HB . . 4.210 4.175 3.724 4.490 0.280 6 0 "[ . 1 . 2]" 1
337 1 47 ALA MB 1 50 ILE QG . . 4.490 4.072 3.312 5.420 0.930 18 1 "[ . 1 . + 2]" 1
338 1 47 ALA MB 1 104 ILE MG . . 3.070 2.002 1.707 2.417 . 0 0 "[ . 1 . 2]" 1
339 1 47 ALA MB 1 113 PHE QD . . 4.210 3.928 3.658 4.384 0.174 14 0 "[ . 1 . 2]" 1
340 1 47 ALA MB 1 113 PHE HZ . . 3.400 2.229 1.938 2.885 . 0 0 "[ . 1 . 2]" 1
341 1 47 ALA MB 1 129 CYS HA . . 4.340 4.201 3.683 4.895 0.555 17 1 "[ . 1 . + 2]" 1
342 1 47 ALA MB 1 129 CYS QB . . 4.610 4.529 4.049 4.936 0.326 14 0 "[ . 1 . 2]" 1
343 1 47 ALA MB 1 132 VAL HA . . 5.280 5.123 4.427 6.279 0.999 4 3 "[ +. * 1 . - 2]" 1
344 1 47 ALA MB 1 132 VAL HB . . 3.940 3.683 2.854 4.478 0.538 8 1 "[ . + 1 . 2]" 1
345 1 47 ALA MB 1 132 VAL MG1 . . 2.930 2.341 1.837 3.353 0.423 4 0 "[ . 1 . 2]" 1
346 1 47 ALA MB 1 132 VAL MG2 . . 2.930 2.486 1.913 3.412 0.482 4 0 "[ . 1 . 2]" 1
347 1 48 ILE H 1 48 ILE QG . . 4.360 1.939 1.861 2.013 . 0 0 "[ . 1 . 2]" 1
348 1 48 ILE H 1 48 ILE MG . . 4.250 3.783 3.762 3.798 . 0 0 "[ . 1 . 2]" 1
349 1 48 ILE HA 1 48 ILE MD . . 3.180 3.228 2.003 3.947 0.767 1 12 "[+ - .*** ** .*****]" 1
350 1 48 ILE HA 1 48 ILE MG . . 3.390 2.174 2.083 2.342 . 0 0 "[ . 1 . 2]" 1
351 1 48 ILE HA 1 51 MET QG . . 4.510 3.470 2.860 3.830 . 0 0 "[ . 1 . 2]" 1
352 1 48 ILE HA 1 88 LEU QD . . 4.470 5.273 4.447 5.738 1.268 7 16 "[ *****+*-*****. ** *]" 1
353 1 48 ILE HA 1 132 VAL QG . . 4.270 3.360 2.559 4.337 0.067 5 0 "[ . 1 . 2]" 1
354 1 48 ILE HB 1 48 ILE MD . . 3.350 2.653 2.193 3.230 . 0 0 "[ . 1 . 2]" 1
355 1 48 ILE HB 1 88 LEU QD . . 4.880 5.222 4.514 5.461 0.581 4 7 "[ *+.*** 1 . - *]" 1
356 1 48 ILE HB 1 128 LEU QD . . 4.740 4.414 4.085 4.522 . 0 0 "[ . 1 . 2]" 1
357 1 48 ILE MD 1 48 ILE MG . . 2.780 2.127 1.940 2.268 . 0 0 "[ . 1 . 2]" 1
358 1 48 ILE MD 1 88 LEU QD . . 3.160 3.458 2.987 3.957 0.797 4 6 "[ * +.**- 1 * . 2]" 1
359 1 48 ILE MD 1 113 PHE QE . . 4.980 5.121 3.850 5.976 0.996 11 8 "[* * .* -+ .* **2]" 1
360 1 48 ILE MD 1 128 LEU HA . . 3.460 3.635 3.109 4.018 0.558 18 1 "[ . 1 . + 2]" 1
361 1 48 ILE MD 1 128 LEU QD . . 3.570 2.326 1.760 3.220 . 0 0 "[ . 1 . 2]" 1
362 1 48 ILE MD 1 131 TRP HH2 . . 5.310 6.044 4.862 7.149 1.839 18 12 "[* - .*** ** .**+**]" 1
363 1 48 ILE MD 1 132 VAL HA . . 4.780 5.831 4.205 7.173 2.393 18 12 "[* * .*** ** .*-+**]" 1
364 1 48 ILE MD 1 132 VAL QG . . 2.670 3.224 1.794 4.580 1.910 20 12 "[* * .*** ** .*-**+]" 1
365 1 48 ILE QG 1 48 ILE MG . . 3.340 2.238 2.165 2.315 . 0 0 "[ . 1 . 2]" 1
366 1 48 ILE QG 1 88 LEU QD . . 4.390 4.149 3.361 4.675 0.285 7 0 "[ . 1 . 2]" 1
367 1 48 ILE QG 1 128 LEU QB . . 3.650 2.759 2.471 3.210 . 0 0 "[ . 1 . 2]" 1
368 1 48 ILE QG 1 128 LEU QD . . 3.950 3.050 2.262 3.839 . 0 0 "[ . 1 . 2]" 1
369 1 48 ILE QG 1 132 VAL QG . . 4.190 3.224 2.133 4.721 0.531 4 1 "[ +. 1 . 2]" 1
370 1 48 ILE MG 1 49 CYS HA . . 4.140 3.946 3.642 4.211 0.071 2 0 "[ . 1 . 2]" 1
371 1 48 ILE MG 1 51 MET QG . . 5.220 4.597 4.092 5.121 . 0 0 "[ . 1 . 2]" 1
372 1 48 ILE MG 1 52 LYS QB . . 4.580 4.697 3.869 5.372 0.792 1 5 "[+ *. - 1 * * 2]" 1
373 1 48 ILE MG 1 52 LYS QE . . 4.010 3.854 2.446 5.862 1.852 5 8 "[* **+-** * . 2]" 1
374 1 48 ILE MG 1 84 PHE QE . . 3.220 2.659 2.041 3.553 0.333 17 0 "[ . 1 . 2]" 1
375 1 48 ILE MG 1 84 PHE HZ . . 3.410 2.288 1.932 3.202 . 0 0 "[ . 1 . 2]" 1
376 1 48 ILE MG 1 85 LEU HA . . 5.500 5.156 4.229 5.836 0.336 17 0 "[ . 1 . 2]" 1
377 1 48 ILE MG 1 88 LEU HA . . 4.440 4.547 4.126 5.031 0.591 6 1 "[ .+ 1 . 2]" 1
378 1 48 ILE MG 1 88 LEU QB . . 3.400 2.975 2.428 3.336 . 0 0 "[ . 1 . 2]" 1
379 1 48 ILE MG 1 88 LEU QD . . 2.890 2.979 2.256 3.248 0.358 8 0 "[ . 1 . 2]" 1
380 1 48 ILE MG 1 128 LEU QD . . 3.750 3.457 3.203 3.595 . 0 0 "[ . 1 . 2]" 1
381 1 49 CYS HA 1 52 LYS QB . . 4.960 3.866 2.893 4.439 . 0 0 "[ . 1 . 2]" 1
382 1 49 CYS HA 1 54 VAL HB . . 3.880 3.874 3.395 4.346 0.466 7 0 "[ . 1 . 2]" 1
383 1 49 CYS HA 1 54 VAL QG . . 3.050 2.438 1.956 3.471 0.421 7 0 "[ . 1 . 2]" 1
384 1 49 CYS QB 1 54 VAL QG . . 3.570 2.199 1.858 3.076 . 0 0 "[ . 1 . 2]" 1
385 1 50 ILE HA 1 50 ILE MD . . 3.540 2.079 1.968 2.540 . 0 0 "[ . 1 . 2]" 1
386 1 50 ILE HA 1 50 ILE QG . . 3.500 2.885 2.332 3.181 . 0 0 "[ . 1 . 2]" 1
387 1 50 ILE HA 1 103 LYS QD . . 4.640 6.022 4.243 7.051 2.411 20 15 "[** ******1 ** -* **+]" 1
388 1 50 ILE HB 1 50 ILE MD . . 3.510 3.180 2.344 3.231 . 0 0 "[ . 1 . 2]" 1
389 1 50 ILE HB 1 103 LYS QB . . 4.170 3.988 3.597 4.545 0.375 1 0 "[ . 1 . 2]" 1
390 1 50 ILE HB 1 104 ILE QG . . 4.920 5.003 4.476 5.728 0.808 11 2 "[ . -+ . 2]" 1
391 1 50 ILE HB 1 104 ILE MG . . 3.530 3.392 3.064 3.745 0.215 11 0 "[ . 1 . 2]" 1
392 1 50 ILE MD 1 50 ILE MG . . 2.710 2.105 1.902 3.253 0.543 18 1 "[ . 1 . + 2]" 1
393 1 50 ILE MD 1 100 VAL HA . . 4.950 4.854 4.279 5.738 0.788 4 2 "[ +. 1 . - 2]" 1
394 1 50 ILE MD 1 103 LYS HB2 . . 4.030 4.001 3.463 4.202 0.172 2 0 "[ . 1 . 2]" 1
395 1 50 ILE MD 1 103 LYS QB . . 3.470 3.489 3.055 3.754 0.284 4 0 "[ . 1 . 2]" 1
396 1 50 ILE MD 1 103 LYS HB3 . . 4.030 3.854 3.297 4.248 0.218 4 0 "[ . 1 . 2]" 1
397 1 50 ILE MD 1 103 LYS QD . . 2.860 3.658 1.926 5.266 2.406 18 12 "[ - ******1 ** .* + *]" 1
398 1 50 ILE MD 1 103 LYS QE . . 4.210 3.652 2.483 4.688 0.478 1 0 "[ . 1 . 2]" 1
399 1 50 ILE MG 1 100 VAL HA . . 3.600 2.261 1.904 3.046 . 0 0 "[ . 1 . 2]" 1
400 1 50 ILE MG 1 103 LYS QB . . 3.370 2.214 1.924 2.507 . 0 0 "[ . 1 . 2]" 1
401 1 50 ILE MG 1 103 LYS QD . . 3.020 3.284 1.783 4.095 1.075 20 12 "[ ******1 ** .* *-+]" 1
402 1 51 MET HA 1 51 MET QG . . 3.710 2.191 2.075 2.364 . 0 0 "[ . 1 . 2]" 1
403 1 51 MET HA 1 101 ILE MD . . 4.530 7.683 7.348 8.079 3.549 12 20 [***********+******-*] 1
404 1 51 MET HA 1 104 ILE QG . . 4.980 5.794 5.246 6.326 1.346 6 17 "[** **+*-*1******* **]" 1
405 1 51 MET HA 1 104 ILE MG . . 4.800 5.495 4.961 6.094 1.294 6 17 "[**- *+* *1**********]" 1
406 1 51 MET HA 1 135 LEU QD . . 5.410 6.406 5.401 7.154 1.744 13 16 "[********** -+ ** * *]" 1
407 1 51 MET QB 1 96 ILE MD . . 4.160 4.274 2.160 6.965 2.805 4 6 "[ +* *1 .- * *]" 1
408 1 51 MET QB 1 96 ILE MG . . 4.360 4.234 3.126 5.304 0.944 18 7 "[ *. *1 -* * + *]" 1
409 1 51 MET QB 1 135 LEU QD . . 4.200 4.754 3.648 5.679 1.479 13 13 "[*- ** **** + ** * *]" 1
410 1 51 MET QG 1 100 VAL QG . . 4.350 2.504 1.975 3.165 . 0 0 "[ . 1 . 2]" 1
411 1 51 MET QG 1 101 ILE MD . . 4.050 6.710 6.502 7.035 2.985 12 20 [**********-+********] 1
412 1 51 MET QG 1 104 ILE MD . . 3.740 4.783 4.106 5.450 1.710 13 19 "[** *********+****-**]" 1
413 1 51 MET QG 1 104 ILE QG . . 4.440 3.906 3.378 4.565 0.125 13 0 "[ . 1 . 2]" 1
414 1 51 MET QG 1 104 ILE MG . . 4.110 3.791 3.452 4.055 . 0 0 "[ . 1 . 2]" 1
415 1 51 MET QG 1 132 VAL MG1 . . 5.770 3.436 2.252 5.223 . 0 0 "[ . 1 . 2]" 1
416 1 51 MET QG 1 132 VAL QG . . 3.390 2.692 2.200 3.282 . 0 0 "[ . 1 . 2]" 1
417 1 51 MET QG 1 132 VAL MG2 . . 5.770 3.206 2.327 3.879 . 0 0 "[ . 1 . 2]" 1
418 1 51 MET QG 1 135 LEU QD . . 4.470 4.975 4.053 5.593 1.123 13 13 "[*** .***** + ** * -]" 1
419 1 52 LYS HA 1 52 LYS QE . . 4.370 4.302 2.565 5.374 1.004 19 2 "[ . 1 . - +2]" 1
420 1 52 LYS HA 1 52 LYS HG2 . . 3.930 3.464 2.539 4.232 0.302 10 0 "[ . 1 . 2]" 1
421 1 52 LYS HA 1 52 LYS HG3 . . 3.930 3.732 3.425 3.921 . 0 0 "[ . 1 . 2]" 1
422 1 52 LYS QB 1 52 LYS HE2 . . 4.240 2.636 1.967 4.201 . 0 0 "[ . 1 . 2]" 1
423 1 52 LYS QB 1 52 LYS QE . . 3.700 2.349 1.946 3.649 . 0 0 "[ . 1 . 2]" 1
424 1 52 LYS QB 1 52 LYS HE3 . . 4.240 3.131 1.972 4.106 . 0 0 "[ . 1 . 2]" 1
425 1 52 LYS QB 1 88 LEU QD . . 5.440 6.591 5.963 7.267 1.827 11 20 [**-*******+*********] 1
426 1 52 LYS QD 1 88 LEU QD . . 5.230 6.133 4.705 8.370 3.140 10 13 "[ -** *+ ***** ***]" 1
427 1 52 LYS QE 1 88 LEU QD . . 4.460 5.732 3.877 7.948 3.488 5 16 "[****+***-*****. **2]" 1
428 1 52 LYS QG 1 54 VAL HB . . 3.250 3.636 2.051 5.634 2.384 17 8 "[* .*** ** - + 2]" 1
429 1 52 LYS QG 1 54 VAL QG . . 4.210 2.552 1.819 4.382 0.172 7 0 "[ . 1 . 2]" 1
430 1 54 VAL QG 1 55 LYS QB . . 4.500 3.826 3.319 4.217 . 0 0 "[ . 1 . 2]" 1
431 1 54 VAL QG 1 56 PRO QD . . 5.260 4.491 4.158 4.706 . 0 0 "[ . 1 . 2]" 1
432 1 55 LYS HA 1 55 LYS QD . . 4.090 4.063 3.720 4.383 0.293 9 0 "[ . 1 . 2]" 1
433 1 55 LYS HA 1 55 LYS QG . . 3.560 2.933 2.172 3.399 . 0 0 "[ . 1 . 2]" 1
434 1 55 LYS HA 1 56 PRO QD . . 3.750 2.092 1.900 2.148 . 0 0 "[ . 1 . 2]" 1
435 1 55 LYS QB 1 55 LYS QG . . 2.350 2.061 2.022 2.087 . 0 0 "[ . 1 . 2]" 1
436 1 55 LYS HB2 1 56 PRO QD . . 4.290 2.654 1.947 3.948 . 0 0 "[ . 1 . 2]" 1
437 1 55 LYS HB3 1 56 PRO QD . . 4.290 2.638 1.947 3.325 . 0 0 "[ . 1 . 2]" 1
438 1 55 LYS QD 1 55 LYS QG . . 2.310 2.056 2.010 2.092 . 0 0 "[ . 1 . 2]" 1
439 1 55 LYS QD 1 56 PRO QD . . 4.660 3.813 2.727 4.789 0.129 19 0 "[ . 1 . 2]" 1
440 1 55 LYS QG 1 56 PRO QD . . 4.150 3.499 2.527 3.914 . 0 0 "[ . 1 . 2]" 1
441 1 56 PRO HA 1 57 ALA MB . . 4.160 3.961 3.852 4.042 . 0 0 "[ . 1 . 2]" 1
442 1 56 PRO QB 1 57 ALA MB . . 4.400 3.980 3.781 4.199 . 0 0 "[ . 1 . 2]" 1
443 1 57 ALA MB 1 58 ARG HA . . 4.260 3.880 3.813 3.949 . 0 0 "[ . 1 . 2]" 1
444 1 57 ALA MB 1 59 VAL QG . . 3.520 2.844 2.701 3.050 . 0 0 "[ . 1 . 2]" 1
445 1 57 ALA MB 1 70 ASP HB2 . . 3.820 3.071 2.417 4.057 0.237 1 0 "[ . 1 . 2]" 1
446 1 57 ALA MB 1 70 ASP QB . . 3.240 2.161 1.828 2.958 . 0 0 "[ . 1 . 2]" 1
447 1 57 ALA MB 1 70 ASP HB3 . . 3.820 2.210 1.892 3.039 . 0 0 "[ . 1 . 2]" 1
448 1 57 ALA MB 1 73 GLU QB . . 3.120 2.191 1.901 2.674 . 0 0 "[ . 1 . 2]" 1
449 1 57 ALA MB 1 73 GLU QG . . 3.490 3.533 2.832 4.007 0.517 10 1 "[ . + . 2]" 1
450 1 57 ALA MB 1 74 ALA HA . . 4.660 3.692 3.339 4.262 . 0 0 "[ . 1 . 2]" 1
451 1 58 ARG HA 1 58 ARG QD . . 3.280 2.577 1.984 3.731 0.451 18 0 "[ . 1 . 2]" 1
452 1 58 ARG HA 1 58 ARG QG . . 3.810 2.745 2.312 3.444 . 0 0 "[ . 1 . 2]" 1
453 1 58 ARG HA 1 59 VAL QG . . 4.400 3.329 3.194 3.417 . 0 0 "[ . 1 . 2]" 1
454 1 58 ARG QB 1 58 ARG QD . . 3.460 2.302 2.008 2.808 . 0 0 "[ . 1 . 2]" 1
455 1 58 ARG QD 1 69 ASP HA . . 3.720 3.758 2.678 5.519 1.799 18 4 "[ - . 1 .* + *]" 1
456 1 58 ARG QG 1 69 ASP HA . . 4.510 4.418 3.315 5.341 0.831 2 2 "[ + . 1 . - 2]" 1
457 1 59 VAL HA 1 59 VAL QG . . 3.120 2.215 2.093 2.317 . 0 0 "[ . 1 . 2]" 1
458 1 59 VAL HB 1 60 LYS HA . . 4.740 4.569 4.442 4.844 0.104 12 0 "[ . 1 . 2]" 1
459 1 59 VAL QG 1 60 LYS HB3 . . 5.280 4.709 4.629 4.826 . 0 0 "[ . 1 . 2]" 1
460 1 59 VAL QG 1 70 ASP HB2 . . 4.080 1.830 1.723 2.028 . 0 0 "[ . 1 . 2]" 1
461 1 59 VAL QG 1 70 ASP QB . . 2.990 1.806 1.706 2.000 . 0 0 "[ . 1 . 2]" 1
462 1 59 VAL QG 1 70 ASP HB3 . . 4.080 2.798 2.560 3.045 . 0 0 "[ . 1 . 2]" 1
463 1 59 VAL QG 1 73 GLU HA . . 5.440 5.494 5.066 6.149 0.709 20 2 "[ .- 1 . +]" 1
464 1 59 VAL QG 1 73 GLU QB . . 3.290 3.524 3.118 4.254 0.964 20 4 "[ -* *1 . +]" 1
465 1 60 LYS HA 1 60 LYS QD . . 4.610 4.079 3.932 4.239 . 0 0 "[ . 1 . 2]" 1
466 1 60 LYS HA 1 60 LYS QG . . 3.210 2.541 2.515 2.567 . 0 0 "[ . 1 . 2]" 1
467 1 60 LYS HA 1 67 MET HA . . 3.540 2.580 2.406 2.777 . 0 0 "[ . 1 . 2]" 1
468 1 60 LYS HA 1 67 MET QB . . 4.980 4.446 4.105 4.695 . 0 0 "[ . 1 . 2]" 1
469 1 60 LYS HB3 1 60 LYS QD . . 2.400 2.341 1.976 2.804 0.404 1 0 "[ . 1 . 2]" 1
470 1 60 LYS QD 1 60 LYS QE . . 2.400 2.053 2.002 2.091 . 0 0 "[ . 1 . 2]" 1
471 1 60 LYS QD 1 62 THR HA . . 3.760 4.969 3.827 5.586 1.826 1 19 "[+********* -********]" 1
472 1 60 LYS QD 1 62 THR MG . . 3.550 6.696 5.763 7.269 3.719 1 20 [+*********-*********] 1
473 1 60 LYS QD 1 65 GLY QA . . 3.890 3.801 2.460 4.422 0.532 16 1 "[ . 1 .+ 2]" 1
474 1 60 LYS QE 1 60 LYS QG . . 3.040 2.168 2.033 2.455 . 0 0 "[ . 1 . 2]" 1
475 1 60 LYS QE 1 62 THR HA . . 4.600 4.719 3.811 6.488 1.888 4 4 "[ +. -1* . *]" 1
476 1 60 LYS QE 1 62 THR MG . . 4.740 6.672 5.656 8.034 3.294 4 20 [***+*************-**] 1
477 1 60 LYS QE 1 65 GLY QA . . 4.270 2.676 1.980 3.972 . 0 0 "[ . 1 . 2]" 1
478 1 60 LYS QG 1 62 THR HA . . 4.770 4.078 3.896 4.531 . 0 0 "[ . 1 . 2]" 1
479 1 60 LYS QG 1 65 GLY QA . . 3.710 2.977 2.692 3.289 . 0 0 "[ . 1 . 2]" 1
480 1 60 LYS QG 1 67 MET HA . . 4.440 3.764 3.488 4.086 . 0 0 "[ . 1 . 2]" 1
481 1 61 ASP HA 1 62 THR HA . . 4.620 4.359 4.338 4.370 . 0 0 "[ . 1 . 2]" 1
482 1 61 ASP HA 1 62 THR MG . . 4.110 3.815 3.667 3.929 . 0 0 "[ . 1 . 2]" 1
483 1 61 ASP HA 1 66 ARG QG . . 5.070 5.373 5.219 5.746 0.676 12 1 "[ . 1 + . 2]" 1
484 1 61 ASP HA 1 68 VAL QG . . 3.290 2.679 2.458 2.835 . 0 0 "[ . 1 . 2]" 1
485 1 61 ASP QB 1 62 THR MG . . 5.140 4.696 4.447 4.820 . 0 0 "[ . 1 . 2]" 1
486 1 61 ASP QB 1 66 ARG QG . . 4.370 2.834 2.649 3.204 . 0 0 "[ . 1 . 2]" 1
487 1 61 ASP QB 1 68 VAL QG . . 3.090 1.899 1.754 2.020 . 0 0 "[ . 1 . 2]" 1
488 1 61 ASP HB2 1 68 VAL QG . . 3.530 1.916 1.767 2.039 . 0 0 "[ . 1 . 2]" 1
489 1 61 ASP HB3 1 68 VAL QG . . 3.530 3.127 2.968 3.278 . 0 0 "[ . 1 . 2]" 1
490 1 62 THR HA 1 62 THR HB . . 2.860 2.458 2.414 2.491 . 0 0 "[ . 1 . 2]" 1
491 1 62 THR HA 1 62 THR MG . . 2.790 3.201 3.191 3.208 0.418 3 0 "[ . 1 . 2]" 1
492 1 64 SER HA 1 66 ARG QG . . 4.510 4.418 4.002 4.740 0.230 2 0 "[ . 1 . 2]" 1
493 1 64 SER QB 1 66 ARG QD . . 4.210 3.401 2.473 4.261 0.051 12 0 "[ . 1 . 2]" 1
494 1 64 SER QB 1 66 ARG QG . . 4.170 2.016 1.923 2.572 . 0 0 "[ . 1 . 2]" 1
495 1 66 ARG HA 1 66 ARG QD . . 4.210 4.313 4.068 4.519 0.309 19 0 "[ . 1 . 2]" 1
496 1 66 ARG HA 1 66 ARG QG . . 3.420 3.340 3.331 3.347 . 0 0 "[ . 1 . 2]" 1
497 1 66 ARG HB2 1 66 ARG QD . . 3.570 2.345 2.048 2.711 . 0 0 "[ . 1 . 2]" 1
498 1 66 ARG HB2 1 68 VAL QG . . 4.620 4.239 4.104 4.361 . 0 0 "[ . 1 . 2]" 1
499 1 66 ARG HB3 1 66 ARG QD . . 3.640 2.654 2.214 3.042 . 0 0 "[ . 1 . 2]" 1
500 1 66 ARG QD 1 68 VAL QG . . 3.500 3.141 2.610 3.750 0.250 5 0 "[ . 1 . 2]" 1
501 1 68 VAL HA 1 68 VAL HB . . 3.010 2.533 2.515 2.550 . 0 0 "[ . 1 . 2]" 1
502 1 71 TYR HA 1 71 TYR QD . . 3.790 3.247 2.538 3.742 . 0 0 "[ . 1 . 2]" 1
503 1 71 TYR QD 1 74 ALA MB . . 5.140 4.786 3.317 5.503 0.363 2 0 "[ . 1 . 2]" 1
504 1 72 TRP HH2 1 79 LEU QD . . 4.570 8.199 7.541 9.210 4.640 20 20 [****************-**+] 1
505 1 73 GLU HA 1 73 GLU QG . . 3.440 2.394 2.118 2.738 . 0 0 "[ . 1 . 2]" 1
506 1 73 GLU HA 1 76 LYS HD3 . . 4.260 2.723 2.467 2.884 . 0 0 "[ . 1 . 2]" 1
507 1 73 GLU HA 1 76 LYS QE . . 3.650 2.594 2.350 2.715 . 0 0 "[ . 1 . 2]" 1
508 1 73 GLU HA 1 76 LYS HG2 . . 4.650 2.400 2.243 2.574 . 0 0 "[ . 1 . 2]" 1
509 1 73 GLU HA 1 76 LYS QG . . 3.900 2.174 2.103 2.289 . 0 0 "[ . 1 . 2]" 1
510 1 73 GLU HA 1 76 LYS HG3 . . 4.650 2.501 2.370 2.752 . 0 0 "[ . 1 . 2]" 1
511 1 73 GLU QB 1 76 LYS QE . . 4.720 3.493 3.217 3.765 . 0 0 "[ . 1 . 2]" 1
512 1 73 GLU QG 1 76 LYS HD3 . . 3.960 3.513 3.041 4.129 0.169 4 0 "[ . 1 . 2]" 1
513 1 73 GLU QG 1 76 LYS QE . . 3.850 3.583 2.815 4.330 0.480 1 0 "[ . 1 . 2]" 1
514 1 76 LYS HA 1 76 LYS HD2 . . 4.860 4.482 4.420 4.538 . 0 0 "[ . 1 . 2]" 1
515 1 76 LYS HA 1 76 LYS QG . . 3.670 3.328 3.318 3.339 . 0 0 "[ . 1 . 2]" 1
516 1 76 LYS HA 1 79 LEU QB . . 4.920 3.521 3.194 3.654 . 0 0 "[ . 1 . 2]" 1
517 1 76 LYS HA 1 79 LEU QD . . 3.230 2.044 1.941 2.379 . 0 0 "[ . 1 . 2]" 1
518 1 76 LYS HA 1 79 LEU HG . . 3.610 2.393 2.154 2.641 . 0 0 "[ . 1 . 2]" 1
519 1 76 LYS QB 1 76 LYS QE . . 3.760 2.846 2.684 3.010 . 0 0 "[ . 1 . 2]" 1
520 1 76 LYS QE 1 77 LYS QB . . 4.460 3.079 2.175 4.104 . 0 0 "[ . 1 . 2]" 1
521 1 76 LYS QE 1 77 LYS QG . . 3.950 3.281 1.889 4.481 0.531 15 1 "[ . 1 + 2]" 1
522 1 77 LYS HA 1 77 LYS QD . . 4.150 3.674 2.224 4.159 0.009 6 0 "[ . 1 . 2]" 1
523 1 77 LYS HA 1 77 LYS HG2 . . 3.660 2.994 2.384 3.717 0.057 3 0 "[ . 1 . 2]" 1
524 1 77 LYS HA 1 77 LYS QG . . 3.040 2.392 2.222 2.526 . 0 0 "[ . 1 . 2]" 1
525 1 77 LYS HA 1 77 LYS HG3 . . 3.660 2.717 2.285 3.651 . 0 0 "[ . 1 . 2]" 1
526 1 77 LYS HA 1 80 MET QG . . 4.230 2.839 1.978 3.429 . 0 0 "[ . 1 . 2]" 1
527 1 77 LYS QE 1 77 LYS QG . . 2.480 2.205 1.960 2.549 0.069 3 0 "[ . 1 . 2]" 1
528 1 77 LYS QG 1 80 MET QG . . 5.250 3.479 2.469 5.074 . 0 0 "[ . 1 . 2]" 1
529 1 78 MET HA 1 78 MET QG . . 3.540 2.429 2.030 2.963 . 0 0 "[ . 1 . 2]" 1
530 1 78 MET HA 1 81 GLU QG . . 4.210 3.722 2.820 4.906 0.696 20 1 "[ . 1 . +]" 1
531 1 78 MET QG 1 84 PHE QD . . 4.480 3.192 1.989 5.059 0.579 12 1 "[ . 1 + . 2]" 1
532 1 78 MET QG 1 84 PHE QE . . 4.380 2.919 1.993 4.164 . 0 0 "[ . 1 . 2]" 1
533 1 79 LEU HA 1 79 LEU QD . . 2.910 2.297 2.239 2.407 . 0 0 "[ . 1 . 2]" 1
534 1 79 LEU HA 1 79 LEU HG . . 4.090 3.331 3.316 3.357 . 0 0 "[ . 1 . 2]" 1
535 1 79 LEU HA 1 84 PHE QB . . 4.210 3.554 3.075 3.965 . 0 0 "[ . 1 . 2]" 1
536 1 79 LEU QB 1 79 LEU QD . . 2.480 1.898 1.875 1.940 . 0 0 "[ . 1 . 2]" 1
537 1 79 LEU HB2 1 79 LEU QD . . 3.210 2.123 2.071 2.262 . 0 0 "[ . 1 . 2]" 1
538 1 79 LEU HB3 1 79 LEU QD . . 3.210 2.140 2.112 2.158 . 0 0 "[ . 1 . 2]" 1
539 1 79 LEU QD 1 84 PHE QB . . 4.700 4.484 4.133 4.799 0.099 10 0 "[ . 1 . 2]" 1
540 1 79 LEU QD 1 84 PHE HZ . . 3.850 3.861 2.532 4.271 0.421 13 0 "[ . 1 . 2]" 1
541 1 79 LEU QD 1 85 LEU QD . . 3.970 4.385 3.993 4.902 0.932 8 6 "[* ** + * . - 2]" 1
542 1 79 LEU QD 1 85 LEU HG . . 5.110 5.796 4.959 6.739 1.629 17 16 "[****.*** ****** +*-2]" 1
543 1 79 LEU QD 1 88 LEU QD . . 4.700 5.592 5.008 5.935 1.235 20 18 "[******-******** **+]" 1
544 1 79 LEU QD 1 128 LEU QD . . 4.060 3.315 2.497 3.667 . 0 0 "[ . 1 . 2]" 1
545 1 80 MET HA 1 80 MET QG . . 3.680 3.329 3.286 3.422 . 0 0 "[ . 1 . 2]" 1
546 1 81 GLU HA 1 81 GLU HG2 . . 3.510 2.512 2.115 2.775 . 0 0 "[ . 1 . 2]" 1
547 1 81 GLU HA 1 81 GLU QG . . 2.940 2.398 2.080 2.689 . 0 0 "[ . 1 . 2]" 1
548 1 81 GLU HA 1 81 GLU HG3 . . 3.510 3.212 2.489 3.615 0.105 7 0 "[ . 1 . 2]" 1
549 1 82 PHE HA 1 82 PHE QD . . 4.020 3.356 2.581 3.728 . 0 0 "[ . 1 . 2]" 1
550 1 84 PHE HA 1 84 PHE QD . . 3.430 2.558 2.287 2.869 . 0 0 "[ . 1 . 2]" 1
551 1 84 PHE QD 1 85 LEU HA . . 4.560 3.925 3.548 4.212 . 0 0 "[ . 1 . 2]" 1
552 1 84 PHE QD 1 85 LEU QD . . 3.350 2.496 1.922 3.408 0.058 5 0 "[ . 1 . 2]" 1
553 1 84 PHE QD 1 88 LEU QD . . 4.030 4.017 3.695 4.431 0.401 20 0 "[ . 1 . 2]" 1
554 1 84 PHE QE 1 85 LEU QD . . 4.960 2.966 2.362 3.805 . 0 0 "[ . 1 . 2]" 1
555 1 84 PHE QE 1 88 LEU QD . . 4.610 3.662 3.390 4.092 . 0 0 "[ . 1 . 2]" 1
556 1 84 PHE QE 1 88 LEU HG . . 5.500 6.227 5.759 6.751 1.251 4 16 "[** +****-1 ***** ***]" 1
557 1 84 PHE QE 1 128 LEU QD . . 3.620 2.545 1.876 2.861 . 0 0 "[ . 1 . 2]" 1
558 1 84 PHE HZ 1 85 LEU QD . . 4.570 4.489 3.801 5.435 0.865 16 2 "[ -. 1 .+ 2]" 1
559 1 84 PHE HZ 1 88 LEU QD . . 3.800 4.102 3.703 4.500 0.700 4 3 "[ +. - 1 * 2]" 1
560 1 84 PHE HZ 1 128 LEU QD . . 3.780 3.532 2.987 3.920 0.140 6 0 "[ . 1 . 2]" 1
561 1 85 LEU HA 1 85 LEU QD . . 2.860 2.154 1.939 3.097 0.237 4 0 "[ . 1 . 2]" 1
562 1 85 LEU HA 1 85 LEU HG . . 4.070 3.104 2.507 3.648 . 0 0 "[ . 1 . 2]" 1
563 1 85 LEU HA 1 88 LEU QD . . 3.460 1.909 1.880 1.981 . 0 0 "[ . 1 . 2]" 1
564 1 85 LEU HA 1 88 LEU HG . . 3.480 3.120 2.902 3.427 . 0 0 "[ . 1 . 2]" 1
565 1 85 LEU HA 1 128 LEU QD . . 4.280 4.056 3.515 4.402 0.122 8 0 "[ . 1 . 2]" 1
566 1 85 LEU QB 1 85 LEU QD . . 2.530 1.912 1.813 1.962 . 0 0 "[ . 1 . 2]" 1
567 1 85 LEU QB 1 88 LEU QD . . 4.230 2.718 2.336 2.994 . 0 0 "[ . 1 . 2]" 1
568 1 85 LEU QD 1 88 LEU QD . . 2.990 2.117 1.782 2.948 . 0 0 "[ . 1 . 2]" 1
569 1 85 LEU QD 1 128 LEU QD . . 2.950 2.009 1.736 2.750 . 0 0 "[ . 1 . 2]" 1
570 1 85 LEU QD 1 128 LEU HG . . 4.390 4.076 3.622 4.735 0.345 4 0 "[ . 1 . 2]" 1
571 1 85 LEU HG 1 88 LEU QD . . 4.890 3.865 2.772 4.259 . 0 0 "[ . 1 . 2]" 1
572 1 86 ASP HA 1 89 ARG QB . . 3.660 3.633 2.918 3.879 0.219 1 0 "[ . 1 . 2]" 1
573 1 86 ASP HA 1 89 ARG QD . . 3.600 2.257 1.976 3.704 0.104 14 0 "[ . 1 . 2]" 1
574 1 88 LEU H 1 88 LEU QD . . 3.620 3.127 3.077 3.210 . 0 0 "[ . 1 . 2]" 1
575 1 88 LEU HA 1 88 LEU QD . . 3.320 3.210 3.142 3.271 . 0 0 "[ . 1 . 2]" 1
576 1 88 LEU HA 1 91 PHE QB . . 4.070 2.564 1.973 2.880 . 0 0 "[ . 1 . 2]" 1
577 1 88 LEU QB 1 88 LEU QD . . 2.800 1.792 1.757 1.826 . 0 0 "[ . 1 . 2]" 1
578 1 88 LEU QD 1 91 PHE QB . . 4.760 3.981 3.632 4.266 . 0 0 "[ . 1 . 2]" 1
579 1 88 LEU QD 1 128 LEU HA . . 4.030 3.222 2.703 3.628 . 0 0 "[ . 1 . 2]" 1
580 1 88 LEU QD 1 128 LEU QD . . 2.770 2.405 1.819 2.768 . 0 0 "[ . 1 . 2]" 1
581 1 88 LEU QD 1 131 TRP HD1 . . 5.350 3.849 3.553 4.170 . 0 0 "[ . 1 . 2]" 1
582 1 88 LEU QD 1 131 TRP HH2 . . 3.900 3.665 3.330 4.253 0.353 14 0 "[ . 1 . 2]" 1
583 1 88 LEU QD 1 131 TRP HZ2 . . 4.900 3.461 3.033 4.043 . 0 0 "[ . 1 . 2]" 1
584 1 88 LEU QD 1 132 VAL QG . . 5.320 4.375 3.706 5.204 . 0 0 "[ . 1 . 2]" 1
585 1 89 ARG HA 1 89 ARG QG . . 3.680 3.274 2.568 3.407 . 0 0 "[ . 1 . 2]" 1
586 1 89 ARG QB 1 89 ARG QG . . 2.370 2.075 2.020 2.087 . 0 0 "[ . 1 . 2]" 1
587 1 89 ARG QG 1 90 LYS QB . . 3.350 3.490 2.704 5.650 2.300 20 2 "[ . 1 -. +]" 1
588 1 90 LYS HA 1 90 LYS QG . . 3.370 2.646 2.213 3.387 0.017 11 0 "[ . 1 . 2]" 1
589 1 90 LYS QE 1 90 LYS QG . . 3.070 2.211 2.001 2.649 . 0 0 "[ . 1 . 2]" 1
590 1 91 PHE HA 1 91 PHE QD . . 4.090 2.967 2.747 3.094 . 0 0 "[ . 1 . 2]" 1
591 1 91 PHE QB 1 96 ILE MD . . 5.280 4.850 3.927 6.093 0.813 4 2 "[ +. 1 . -]" 1
592 1 91 PHE QB 1 131 TRP HZ2 . . 3.900 2.464 1.973 3.012 . 0 0 "[ . 1 . 2]" 1
593 1 91 PHE QB 1 135 LEU QD . . 4.520 3.882 3.301 4.397 . 0 0 "[ . 1 . 2]" 1
594 1 91 PHE HB2 1 131 TRP HZ2 . . 4.680 3.712 2.980 4.668 . 0 0 "[ . 1 . 2]" 1
595 1 91 PHE HB3 1 131 TRP HZ2 . . 4.680 2.502 1.994 3.050 . 0 0 "[ . 1 . 2]" 1
596 1 91 PHE QD 1 96 ILE MD . . 3.930 3.270 2.455 4.543 0.613 4 2 "[ +. 1 . -]" 1
597 1 91 PHE QD 1 135 LEU QD . . 3.370 3.342 2.719 3.604 0.234 13 0 "[ . 1 . 2]" 1
598 1 91 PHE QE 1 96 ILE MD . . 3.510 2.448 1.882 3.761 0.251 4 0 "[ . 1 . 2]" 1
599 1 91 PHE QE 1 96 ILE QG . . 4.570 2.373 1.908 3.686 . 0 0 "[ . 1 . 2]" 1
600 1 91 PHE QE 1 135 LEU QD . . 4.080 3.811 3.066 4.273 0.193 14 0 "[ . 1 . 2]" 1
601 1 93 LYS HA 1 96 ILE MD . . 3.530 2.266 1.945 3.423 . 0 0 "[ . 1 . 2]" 1
602 1 93 LYS HA 1 135 LEU QD . . 4.090 2.898 2.017 3.297 . 0 0 "[ . 1 . 2]" 1
603 1 93 LYS QB 1 93 LYS QD . . 2.880 2.362 1.976 2.768 . 0 0 "[ . 1 . 2]" 1
604 1 93 LYS QB 1 96 ILE MD . . 3.720 2.710 1.908 4.509 0.789 6 1 "[ .+ 1 . 2]" 1
605 1 93 LYS QB 1 135 LEU QD . . 4.350 2.082 1.697 2.751 . 0 0 "[ . 1 . 2]" 1
606 1 93 LYS QD 1 135 LEU QD . . 4.100 3.952 3.147 4.646 0.546 9 3 "[ * +1 . - 2]" 1
607 1 93 LYS QE 1 93 LYS QG . . 3.460 2.185 1.946 2.753 . 0 0 "[ . 1 . 2]" 1
608 1 93 LYS QG 1 135 LEU QD . . 4.510 3.095 2.551 4.027 . 0 0 "[ . 1 . 2]" 1
609 1 94 ASP HA 1 138 TYR QE . . 3.840 6.459 5.662 7.417 3.577 10 20 [*********+********-*] 1
610 1 94 ASP HA 1 142 ILE MD . . 3.690 6.729 5.797 7.359 3.669 16 20 [***************+**-*] 1
611 1 94 ASP HA 1 142 ILE QG . . 4.280 5.757 4.526 6.367 2.087 15 19 "[**************+*-* *]" 1
612 1 94 ASP HA 1 142 ILE MG . . 3.820 5.340 3.982 6.003 2.183 15 19 "[**************+*-* *]" 1
613 1 94 ASP QB 1 142 ILE MD . . 4.340 6.402 5.321 7.589 3.249 15 20 [*************-+*****] 1
614 1 95 HIS HA 1 95 HIS HD2 . . 4.270 2.892 2.232 3.905 . 0 0 "[ . 1 . 2]" 1
615 1 96 ILE HA 1 96 ILE MD . . 4.430 3.100 1.954 3.885 . 0 0 "[ . 1 . 2]" 1
616 1 96 ILE HA 1 100 VAL QG . . 3.950 3.698 2.975 4.516 0.566 5 1 "[ + 1 . 2]" 1
617 1 96 ILE HB 1 96 ILE MD . . 3.150 2.716 2.160 3.228 0.078 17 0 "[ . 1 . 2]" 1
618 1 96 ILE HB 1 100 VAL QG . . 4.450 4.688 3.966 5.587 1.137 13 8 "[ *- *1 *+ * * *]" 1
619 1 96 ILE HB 1 101 ILE MD . . 3.870 6.147 5.009 7.197 3.327 12 20 [***********+**-*****] 1
620 1 96 ILE HB 1 101 ILE QG . . 4.930 6.552 5.650 7.080 2.150 14 20 [*******-*****+******] 1
621 1 96 ILE MD 1 101 ILE MD . . 3.560 6.301 5.327 7.254 3.694 14 20 [*************+*-****] 1
622 1 96 ILE MD 1 135 LEU QD . . 3.460 2.100 1.720 3.208 . 0 0 "[ . 1 . 2]" 1
623 1 96 ILE MD 1 138 TYR QD . . 4.510 5.600 3.962 7.642 3.132 14 15 "[*** .*** ****+*-** 2]" 1
624 1 96 ILE MD 1 139 ASP QB . . 4.230 4.197 2.761 6.187 1.957 14 6 "[* .* 1* +. *- 2]" 1
625 1 96 ILE QG 1 96 ILE MG . . 3.210 2.286 2.021 2.358 . 0 0 "[ . 1 . 2]" 1
626 1 96 ILE QG 1 135 LEU QD . . 4.370 2.856 1.933 3.942 . 0 0 "[ . 1 . 2]" 1
627 1 96 ILE MG 1 100 VAL HB . . 4.290 4.707 3.744 5.921 1.631 13 8 "[ *- *1 *+ * * *]" 1
628 1 96 ILE MG 1 101 ILE HA . . 4.920 5.078 4.312 5.925 1.005 13 5 "[ - * *1 + . * 2]" 1
629 1 96 ILE MG 1 101 ILE MD . . 3.150 4.339 3.201 5.183 2.033 11 17 "[ *********+***. -***]" 1
630 1 96 ILE MG 1 135 LEU QD . . 4.080 3.288 2.579 4.040 . 0 0 "[ . 1 . 2]" 1
631 1 96 ILE MG 1 139 ASP QB . . 4.390 4.345 3.379 5.167 0.777 11 2 "[ . - 1+ . 2]" 1
632 1 98 PRO HA 1 99 GLU HA . . 5.080 4.721 4.690 4.779 . 0 0 "[ . 1 . 2]" 1
633 1 98 PRO HA 1 101 ILE HB . . 3.250 4.629 4.441 4.907 1.657 3 20 [-*+*****************] 1
634 1 98 PRO HA 1 101 ILE MD . . 4.620 2.554 1.947 3.408 . 0 0 "[ . 1 . 2]" 1
635 1 98 PRO HA 1 101 ILE QG . . 4.180 1.937 1.852 1.981 . 0 0 "[ . 1 . 2]" 1
636 1 98 PRO HA 1 101 ILE MG . . 4.050 2.868 2.487 3.229 . 0 0 "[ . 1 . 2]" 1
637 1 98 PRO HA 1 102 VAL QG . . 4.880 4.442 4.147 4.839 . 0 0 "[ . 1 . 2]" 1
638 1 98 PRO QB 1 101 ILE HB . . 4.170 5.728 5.596 5.807 1.637 8 20 [*******+**-*********] 1
639 1 98 PRO QD 1 99 GLU QB . . 4.350 4.102 4.047 4.272 . 0 0 "[ . 1 . 2]" 1
640 1 98 PRO QD 1 101 ILE HB . . 5.500 7.391 7.159 7.733 2.233 3 20 [-*+*****************] 1
641 1 98 PRO HG2 1 99 GLU HA . . 4.390 4.345 4.259 4.395 0.005 12 0 "[ . 1 . 2]" 1
642 1 99 GLU HA 1 99 GLU QG . . 3.390 3.341 3.326 3.433 0.043 19 0 "[ . 1 . 2]" 1
643 1 99 GLU HA 1 102 VAL QG . . 3.040 1.947 1.902 2.178 . 0 0 "[ . 1 . 2]" 1
644 1 99 GLU QB 1 99 GLU QG . . 2.400 2.068 2.017 2.086 . 0 0 "[ . 1 . 2]" 1
645 1 99 GLU QB 1 100 VAL HA . . 4.530 4.517 4.356 4.586 0.056 11 0 "[ . 1 . 2]" 1
646 1 99 GLU QG 1 100 VAL HA . . 4.120 3.470 3.301 3.946 . 0 0 "[ . 1 . 2]" 1
647 1 99 GLU QG 1 100 VAL QG . . 3.100 2.113 1.978 2.275 . 0 0 "[ . 1 . 2]" 1
648 1 100 VAL HA 1 100 VAL QG . . 3.100 2.384 2.340 2.435 . 0 0 "[ . 1 . 2]" 1
649 1 100 VAL HA 1 103 LYS HA . . 5.500 5.993 5.654 6.342 0.842 4 7 "[ *+* *1* - . * 2]" 1
650 1 100 VAL HA 1 103 LYS QB . . 4.730 3.766 3.116 4.505 . 0 0 "[ . 1 . 2]" 1
651 1 100 VAL HA 1 103 LYS QD . . 4.590 4.572 2.186 5.209 0.619 2 3 "[ + . - 1 . *2]" 1
652 1 100 VAL HA 1 103 LYS QE . . 5.210 5.002 3.710 6.159 0.949 3 4 "[* + . 1 - * 2]" 1
653 1 100 VAL HA 1 103 LYS QG . . 4.340 2.973 2.646 3.644 . 0 0 "[ . 1 . 2]" 1
654 1 100 VAL HB 1 101 ILE MD . . 4.280 6.811 6.568 7.008 2.728 9 20 [*-******+***********] 1
655 1 100 VAL HB 1 104 ILE QG . . 4.930 5.203 4.590 5.508 0.578 2 4 "[ + *. 1 .- *2]" 1
656 1 100 VAL QG 1 101 ILE QG . . 3.220 3.409 3.052 3.648 0.428 1 0 "[ . 1 . 2]" 1
657 1 100 VAL QG 1 104 ILE QG . . 4.450 4.209 3.787 4.680 0.230 6 0 "[ . 1 . 2]" 1
658 1 101 ILE H 1 104 ILE MD . . 5.500 5.528 5.101 5.773 0.273 17 0 "[ . 1 . 2]" 1
659 1 101 ILE HA 1 101 ILE MD . . 3.070 4.037 3.647 4.179 1.109 19 20 [*****-************+*] 1
660 1 101 ILE HA 1 101 ILE MG . . 3.300 2.377 2.241 2.473 . 0 0 "[ . 1 . 2]" 1
661 1 101 ILE HA 1 104 ILE MD . . 3.770 3.171 2.695 3.402 . 0 0 "[ . 1 . 2]" 1
662 1 101 ILE HA 1 104 ILE QG . . 3.870 2.201 1.909 2.438 . 0 0 "[ . 1 . 2]" 1
663 1 101 ILE HA 1 104 ILE MG . . 4.310 3.854 3.293 4.352 0.042 14 0 "[ . 1 . 2]" 1
664 1 101 ILE HB 1 101 ILE MD . . 3.380 2.290 2.068 2.485 . 0 0 "[ . 1 . 2]" 1
665 1 101 ILE MD 1 101 ILE MG . . 2.620 2.364 1.926 3.116 0.496 6 0 "[ . 1 . 2]" 1
666 1 101 ILE MD 1 104 ILE QG . . 3.910 4.910 4.048 5.515 1.605 14 15 "[*** * * **- *+*****2]" 1
667 1 101 ILE MD 1 135 LEU QD . . 4.760 6.648 6.092 7.423 2.663 8 20 [-******+************] 1
668 1 101 ILE MD 1 136 GLU HA . . 3.500 5.499 4.704 6.421 2.921 4 20 [***+******-*********] 1
669 1 101 ILE MD 1 139 ASP QB . . 3.490 5.602 4.866 6.940 3.450 4 20 [*-*+****************] 1
670 1 101 ILE QG 1 101 ILE MG . . 3.260 2.195 1.915 2.365 . 0 0 "[ . 1 . 2]" 1
671 1 101 ILE QG 1 136 GLU HA . . 4.910 6.647 5.818 7.380 2.470 17 20 [*****-**********+***] 1
672 1 101 ILE MG 1 102 VAL HA . . 4.400 5.420 5.349 5.482 1.082 5 20 [****+*************-*] 1
673 1 101 ILE MG 1 104 ILE QG . . 3.600 3.654 3.047 4.013 0.413 16 0 "[ . 1 . 2]" 1
674 1 101 ILE MG 1 105 ARG HA . . 4.010 6.080 5.245 6.636 2.626 10 20 [****-****+**********] 1
675 1 101 ILE MG 1 105 ARG QB . . 3.570 5.869 5.285 6.503 2.933 8 20 [****-**+************] 1
676 1 101 ILE MG 1 136 GLU HA . . 4.590 4.145 3.513 4.828 0.238 17 0 "[ . 1 . 2]" 1
677 1 101 ILE MG 1 139 ASP QB . . 5.340 4.967 4.437 5.755 0.415 4 0 "[ . 1 . 2]" 1
678 1 102 VAL HA 1 102 VAL HB . . 3.020 2.681 2.413 3.022 0.002 3 0 "[ . 1 . 2]" 1
679 1 102 VAL HA 1 102 VAL QG . . 2.650 2.159 2.048 2.330 . 0 0 "[ . 1 . 2]" 1
680 1 102 VAL QG 1 103 LYS HA . . 3.720 3.323 3.054 3.861 0.141 12 0 "[ . 1 . 2]" 1
681 1 102 VAL QG 1 103 LYS QG . . 2.930 2.833 2.020 3.853 0.923 9 6 "[ ** +1 *- . * 2]" 1
682 1 103 LYS HA 1 103 LYS QG . . 2.970 2.736 2.274 3.121 0.151 4 0 "[ . 1 . 2]" 1
683 1 103 LYS QB 1 103 LYS QD . . 3.250 2.256 1.935 2.601 . 0 0 "[ . 1 . 2]" 1
684 1 103 LYS QB 1 103 LYS QE . . 4.520 2.993 2.057 3.697 . 0 0 "[ . 1 . 2]" 1
685 1 103 LYS QB 1 104 ILE HA . . 4.710 4.039 3.947 4.156 . 0 0 "[ . 1 . 2]" 1
686 1 103 LYS QB 1 104 ILE MG . . 4.210 2.739 2.586 2.945 . 0 0 "[ . 1 . 2]" 1
687 1 103 LYS HB2 1 103 LYS QD . . 3.780 3.160 2.307 3.442 . 0 0 "[ . 1 . 2]" 1
688 1 103 LYS HB3 1 103 LYS QD . . 3.780 2.327 1.965 2.696 . 0 0 "[ . 1 . 2]" 1
689 1 103 LYS QE 1 103 LYS QG . . 3.370 2.249 2.045 2.783 . 0 0 "[ . 1 . 2]" 1
690 1 104 ILE HA 1 104 ILE MD . . 3.740 3.668 3.601 3.715 . 0 0 "[ . 1 . 2]" 1
691 1 104 ILE HA 1 104 ILE MG . . 3.530 2.400 2.323 2.433 . 0 0 "[ . 1 . 2]" 1
692 1 104 ILE HA 1 105 ARG HA . . 4.880 4.843 4.813 4.886 0.006 4 0 "[ . 1 . 2]" 1
693 1 104 ILE HA 1 107 PHE QD . . 3.660 2.121 1.972 3.389 . 0 0 "[ . 1 . 2]" 1
694 1 104 ILE HA 1 132 VAL QG . . 4.540 5.279 4.727 5.765 1.225 9 19 "[*****-**+** ********]" 1
695 1 104 ILE HB 1 104 ILE MD . . 3.140 2.098 2.060 2.156 . 0 0 "[ . 1 . 2]" 1
696 1 104 ILE HB 1 132 VAL QG . . 4.680 3.491 3.092 3.938 . 0 0 "[ . 1 . 2]" 1
697 1 104 ILE MD 1 105 ARG HA . . 4.180 2.856 2.764 2.925 . 0 0 "[ . 1 . 2]" 1
698 1 104 ILE MD 1 113 PHE HZ . . 4.680 4.056 3.710 4.804 0.124 12 0 "[ . 1 . 2]" 1
699 1 104 ILE MD 1 132 VAL HA . . 4.360 5.289 5.012 5.512 1.152 17 20 [**************-*+***] 1
700 1 104 ILE MD 1 132 VAL HB . . 4.620 4.974 4.615 5.726 1.106 11 4 "[ -.* 1+* . 2]" 1
701 1 104 ILE MD 1 132 VAL QG . . 2.600 2.758 2.236 3.005 0.405 7 0 "[ . 1 . 2]" 1
702 1 104 ILE QG 1 104 ILE MG . . 3.060 2.035 1.937 2.104 . 0 0 "[ . 1 . 2]" 1
703 1 104 ILE MG 1 107 PHE QD . . 3.970 3.130 2.347 4.126 0.156 9 0 "[ . 1 . 2]" 1
704 1 104 ILE MG 1 107 PHE QE . . 4.650 4.319 3.693 5.054 0.404 9 0 "[ . 1 . 2]" 1
705 1 104 ILE MG 1 132 VAL HB . . 4.610 5.085 4.595 5.583 0.973 9 9 "[* - * +1 **** * 2]" 1
706 1 105 ARG HA 1 105 ARG QD . . 4.330 3.182 2.114 3.981 . 0 0 "[ . 1 . 2]" 1
707 1 105 ARG HA 1 105 ARG HG2 . . 4.000 3.118 2.065 3.947 . 0 0 "[ . 1 . 2]" 1
708 1 105 ARG HA 1 105 ARG QG . . 3.480 2.755 2.038 3.261 . 0 0 "[ . 1 . 2]" 1
709 1 105 ARG HA 1 105 ARG HG3 . . 4.000 3.358 2.697 3.620 . 0 0 "[ . 1 . 2]" 1
710 1 105 ARG QG 1 106 PRO HA . . 3.670 3.792 3.015 5.258 1.588 8 5 "[ . + * *- . *]" 1
711 1 105 ARG QG 1 106 PRO QB . . 4.440 4.319 3.327 5.702 1.262 8 5 "[ . + * *- . *]" 1
712 1 105 ARG QG 1 106 PRO QD . . 3.900 2.971 2.165 3.784 . 0 0 "[ . 1 . 2]" 1
713 1 105 ARG QG 1 109 GLN QG . . 5.170 5.472 5.051 6.177 1.007 10 4 "[ . - + * . *]" 1
714 1 107 PHE HA 1 107 PHE QD . . 4.160 2.376 1.934 3.135 . 0 0 "[ . 1 . 2]" 1
715 1 108 ALA HA 1 109 GLN QG . . 5.200 5.213 5.064 5.364 0.164 6 0 "[ . 1 . 2]" 1
716 1 108 ALA HA 1 133 ILE HB . . 5.280 5.535 5.026 5.745 0.465 17 0 "[ . 1 . 2]" 1
717 1 108 ALA HA 1 133 ILE HG13 . . 4.690 4.614 3.881 4.933 0.243 17 0 "[ . 1 . 2]" 1
718 1 108 ALA HA 1 133 ILE MG . . 3.790 3.136 2.972 3.242 . 0 0 "[ . 1 . 2]" 1
719 1 108 ALA MB 1 133 ILE HA . . 3.350 3.970 3.216 4.263 0.913 7 15 "[*** .*+ *-****.****2]" 1
720 1 108 ALA MB 1 133 ILE HG12 . . 3.240 3.531 2.820 3.808 0.568 13 5 "[ - . * 1 + .** 2]" 1
721 1 108 ALA MB 1 133 ILE MG . . 2.970 2.861 2.706 3.059 0.089 5 0 "[ . 1 . 2]" 1
722 1 109 GLN QG 1 111 PRO QD . . 4.920 4.752 4.529 5.242 0.322 5 0 "[ . 1 . 2]" 1
723 1 110 ASP HA 1 111 PRO QD . . 3.750 1.957 1.946 1.969 . 0 0 "[ . 1 . 2]" 1
724 1 110 ASP QB 1 113 PHE QB . . 3.530 2.334 2.047 2.615 . 0 0 "[ . 1 . 2]" 1
725 1 112 GLU HA 1 117 VAL QG . . 3.140 2.742 2.522 3.110 . 0 0 "[ . 1 . 2]" 1
726 1 113 PHE HA 1 113 PHE QD . . 3.780 2.488 2.306 2.621 . 0 0 "[ . 1 . 2]" 1
727 1 113 PHE HA 1 118 ILE MD . . 3.540 2.973 2.679 3.225 . 0 0 "[ . 1 . 2]" 1
728 1 113 PHE HA 1 118 ILE QG . . 4.130 3.072 2.848 3.238 . 0 0 "[ . 1 . 2]" 1
729 1 113 PHE QD 1 133 ILE MD . . 3.480 2.387 2.195 2.668 . 0 0 "[ . 1 . 2]" 1
730 1 113 PHE QD 1 133 ILE HG12 . . 4.600 3.066 2.938 3.246 . 0 0 "[ . 1 . 2]" 1
731 1 113 PHE QD 1 133 ILE MG . . 4.310 4.160 4.086 4.217 . 0 0 "[ . 1 . 2]" 1
732 1 113 PHE QE 1 132 VAL HB . . 4.710 3.828 3.074 5.088 0.378 5 0 "[ . 1 . 2]" 1
733 1 113 PHE QE 1 132 VAL QG . . 3.700 2.490 2.136 2.820 . 0 0 "[ . 1 . 2]" 1
734 1 113 PHE QE 1 133 ILE HG13 . . 4.700 2.913 2.417 3.428 . 0 0 "[ . 1 . 2]" 1
735 1 113 PHE QE 1 133 ILE MG . . 4.390 4.061 3.620 4.353 . 0 0 "[ . 1 . 2]" 1
736 1 113 PHE HZ 1 129 CYS QB . . 4.630 4.185 3.445 4.750 0.120 2 0 "[ . 1 . 2]" 1
737 1 113 PHE HZ 1 132 VAL HB . . 4.300 3.119 2.308 4.277 . 0 0 "[ . 1 . 2]" 1
738 1 113 PHE HZ 1 132 VAL MG1 . . 3.590 2.035 1.882 2.669 . 0 0 "[ . 1 . 2]" 1
739 1 113 PHE HZ 1 132 VAL QG . . 3.130 1.992 1.807 2.562 . 0 0 "[ . 1 . 2]" 1
740 1 113 PHE HZ 1 132 VAL MG2 . . 3.590 2.997 2.128 3.314 . 0 0 "[ . 1 . 2]" 1
741 1 114 GLN HA 1 115 PRO QD . . 3.950 2.078 2.038 2.103 . 0 0 "[ . 1 . 2]" 1
742 1 114 GLN HA 1 133 ILE MD . . 3.800 2.389 2.123 2.559 . 0 0 "[ . 1 . 2]" 1
743 1 114 GLN HA 1 133 ILE MG . . 4.620 4.544 4.282 4.750 0.130 10 0 "[ . 1 . 2]" 1
744 1 114 GLN HB2 1 115 PRO QG . . 5.040 4.917 4.842 5.037 . 0 0 "[ . 1 . 2]" 1
745 1 114 GLN HB2 1 117 VAL HB . . 3.960 3.187 2.498 3.569 . 0 0 "[ . 1 . 2]" 1
746 1 114 GLN HB3 1 116 LYS HA . . 5.500 5.407 5.324 5.493 . 0 0 "[ . 1 . 2]" 1
747 1 114 GLN HB3 1 117 VAL QG . . 3.910 3.467 2.956 3.807 . 0 0 "[ . 1 . 2]" 1
748 1 114 GLN HB3 1 133 ILE MD . . 4.440 4.084 3.774 4.322 . 0 0 "[ . 1 . 2]" 1
749 1 115 PRO HA 1 118 ILE HB . . 3.710 2.709 2.479 2.907 . 0 0 "[ . 1 . 2]" 1
750 1 115 PRO HA 1 118 ILE QG . . 4.280 3.690 3.444 3.816 . 0 0 "[ . 1 . 2]" 1
751 1 115 PRO HA 1 126 ALA MB . . 3.680 3.300 2.840 3.523 . 0 0 "[ . 1 . 2]" 1
752 1 115 PRO HB3 1 118 ILE MG . . 5.500 5.587 5.284 5.808 0.308 9 0 "[ . 1 . 2]" 1
753 1 115 PRO HB3 1 126 ALA MB . . 4.510 4.356 4.008 4.488 . 0 0 "[ . 1 . 2]" 1
754 1 115 PRO HB3 1 133 ILE MD . . 4.340 4.176 3.827 4.329 . 0 0 "[ . 1 . 2]" 1
755 1 115 PRO QD 1 117 VAL QG . . 5.090 4.707 4.443 4.957 . 0 0 "[ . 1 . 2]" 1
756 1 115 PRO QD 1 133 ILE MD . . 4.160 2.100 1.876 2.238 . 0 0 "[ . 1 . 2]" 1
757 1 115 PRO QG 1 133 ILE MD . . 3.800 3.562 3.270 3.721 . 0 0 "[ . 1 . 2]" 1
758 1 116 LYS HA 1 116 LYS QD . . 3.920 3.892 2.205 4.283 0.363 16 0 "[ . 1 . 2]" 1
759 1 116 LYS HA 1 116 LYS QG . . 3.360 2.727 2.107 3.348 . 0 0 "[ . 1 . 2]" 1
760 1 116 LYS QB 1 117 VAL HA . . 5.230 4.090 3.907 4.372 . 0 0 "[ . 1 . 2]" 1
761 1 116 LYS QD 1 116 LYS QE . . 2.400 2.055 2.016 2.091 . 0 0 "[ . 1 . 2]" 1
762 1 117 VAL HA 1 117 VAL QG . . 2.520 2.103 2.035 2.132 . 0 0 "[ . 1 . 2]" 1
763 1 117 VAL HA 1 120 LYS QB . . 5.340 3.431 2.660 4.238 . 0 0 "[ . 1 . 2]" 1
764 1 117 VAL HA 1 120 LYS QD . . 3.710 2.513 1.874 3.798 0.088 19 0 "[ . 1 . 2]" 1
765 1 117 VAL HA 1 120 LYS QE . . 4.730 3.515 2.181 4.695 . 0 0 "[ . 1 . 2]" 1
766 1 117 VAL HB 1 120 LYS QD . . 4.520 4.457 3.813 6.035 1.515 16 4 "[ . * 1 - .+ *2]" 1
767 1 118 ILE HA 1 118 ILE MD . . 2.920 1.999 1.958 2.094 . 0 0 "[ . 1 . 2]" 1
768 1 118 ILE HA 1 118 ILE HG12 . . 4.170 2.906 2.818 3.010 . 0 0 "[ . 1 . 2]" 1
769 1 118 ILE HA 1 118 ILE HG13 . . 4.170 3.706 3.663 3.746 . 0 0 "[ . 1 . 2]" 1
770 1 118 ILE HA 1 118 ILE MG . . 3.190 2.406 2.329 2.466 . 0 0 "[ . 1 . 2]" 1
771 1 118 ILE HB 1 118 ILE MD . . 3.370 3.225 3.216 3.229 . 0 0 "[ . 1 . 2]" 1
772 1 118 ILE HB 1 126 ALA MB . . 3.870 2.993 2.554 3.369 . 0 0 "[ . 1 . 2]" 1
773 1 118 ILE MD 1 121 GLN QG . . 4.430 3.406 2.721 4.507 0.077 11 0 "[ . 1 . 2]" 1
774 1 118 ILE MD 1 126 ALA HA . . 4.840 4.543 4.284 4.733 . 0 0 "[ . 1 . 2]" 1
775 1 118 ILE MD 1 129 CYS QB . . 3.940 3.800 3.476 4.277 0.337 9 0 "[ . 1 . 2]" 1
776 1 118 ILE QG 1 118 ILE MG . . 2.920 2.318 2.260 2.364 . 0 0 "[ . 1 . 2]" 1
777 1 118 ILE QG 1 129 CYS QB . . 4.340 2.824 2.533 3.304 . 0 0 "[ . 1 . 2]" 1
778 1 118 ILE HG12 1 118 ILE MG . . 3.340 3.199 3.194 3.202 . 0 0 "[ . 1 . 2]" 1
779 1 118 ILE HG12 1 129 CYS QB . . 5.180 4.205 3.874 4.564 . 0 0 "[ . 1 . 2]" 1
780 1 118 ILE HG13 1 118 ILE MG . . 3.340 2.379 2.310 2.436 . 0 0 "[ . 1 . 2]" 1
781 1 118 ILE HG13 1 129 CYS QB . . 5.180 2.871 2.562 3.397 . 0 0 "[ . 1 . 2]" 1
782 1 118 ILE MG 1 119 GLU HA . . 4.240 3.533 3.386 3.694 . 0 0 "[ . 1 . 2]" 1
783 1 118 ILE MG 1 122 SER QB . . 4.340 2.509 2.036 3.683 . 0 0 "[ . 1 . 2]" 1
784 1 118 ILE MG 1 125 CYS HA . . 5.010 4.420 4.064 4.830 . 0 0 "[ . 1 . 2]" 1
785 1 118 ILE MG 1 126 ALA MB . . 3.150 2.434 1.965 2.800 . 0 0 "[ . 1 . 2]" 1
786 1 118 ILE MG 1 129 CYS HA . . 5.500 5.483 5.164 6.098 0.598 9 1 "[ . +1 . 2]" 1
787 1 118 ILE MG 1 129 CYS QB . . 3.660 3.367 2.844 4.214 0.554 9 1 "[ . +1 . 2]" 1
788 1 119 GLU HA 1 119 GLU QG . . 3.440 3.266 2.466 3.406 . 0 0 "[ . 1 . 2]" 1
789 1 119 GLU HA 1 123 VAL QG . . 3.850 3.041 2.048 3.277 . 0 0 "[ . 1 . 2]" 1
790 1 119 GLU HA 1 126 ALA MB . . 2.930 2.243 1.974 2.596 . 0 0 "[ . 1 . 2]" 1
791 1 119 GLU QB 1 123 VAL QG . . 3.280 2.934 1.947 3.261 . 0 0 "[ . 1 . 2]" 1
792 1 119 GLU QB 1 126 ALA HA . . 4.860 4.637 4.029 5.891 1.031 9 2 "[ . -+1 . 2]" 1
793 1 119 GLU QB 1 126 ALA MB . . 3.700 2.444 1.931 3.507 . 0 0 "[ . 1 . 2]" 1
794 1 119 GLU QG 1 120 LYS QD . . 4.290 4.249 1.929 5.050 0.760 13 6 "[ * . * 1 *+ . - *2]" 1
795 1 120 LYS QB 1 120 LYS QD . . 3.000 2.168 1.958 2.868 . 0 0 "[ . 1 . 2]" 1
796 1 122 SER QB 1 125 CYS QB . . 4.160 1.962 1.747 3.054 . 0 0 "[ . 1 . 2]" 1
797 1 123 VAL HA 1 123 VAL MG1 . . 3.150 2.356 2.129 2.431 . 0 0 "[ . 1 . 2]" 1
798 1 123 VAL HA 1 123 VAL QG . . 2.590 2.140 2.099 2.267 . 0 0 "[ . 1 . 2]" 1
799 1 123 VAL HA 1 123 VAL MG2 . . 3.150 2.576 2.305 3.191 0.041 14 0 "[ . 1 . 2]" 1
800 1 123 VAL QG 1 126 ALA MB . . 3.810 3.250 2.818 3.804 . 0 0 "[ . 1 . 2]" 1
801 1 125 CYS HA 1 128 LEU HB2 . . 4.890 3.956 3.471 4.222 . 0 0 "[ . 1 . 2]" 1
802 1 125 CYS HA 1 128 LEU QB . . 4.170 3.806 3.376 4.034 . 0 0 "[ . 1 . 2]" 1
803 1 125 CYS HA 1 128 LEU HB3 . . 4.890 4.955 4.616 5.171 0.281 6 0 "[ . 1 . 2]" 1
804 1 125 CYS HA 1 128 LEU QD . . 3.400 2.496 2.175 2.646 . 0 0 "[ . 1 . 2]" 1
805 1 127 GLY QA 1 130 SER QB . . 4.110 2.664 2.469 2.810 . 0 0 "[ . 1 . 2]" 1
806 1 128 LEU HA 1 128 LEU QD . . 3.130 2.183 2.043 2.346 . 0 0 "[ . 1 . 2]" 1
807 1 128 LEU QB 1 131 TRP HB3 . . 5.140 4.498 4.259 4.844 . 0 0 "[ . 1 . 2]" 1
808 1 128 LEU QD 1 131 TRP HB3 . . 4.870 4.449 4.118 4.883 0.013 9 0 "[ . 1 . 2]" 1
809 1 129 CYS HA 1 132 VAL HB . . 4.510 3.078 2.360 4.023 . 0 0 "[ . 1 . 2]" 1
810 1 130 SER HA 1 133 ILE HB . . 4.040 3.453 2.978 3.706 . 0 0 "[ . 1 . 2]" 1
811 1 130 SER HA 1 133 ILE MD . . 3.700 3.514 3.207 3.796 0.096 9 0 "[ . 1 . 2]" 1
812 1 130 SER HA 1 133 ILE MG . . 4.340 4.784 4.280 5.037 0.697 17 11 "[** . *-** **.*+* 2]" 1
813 1 131 TRP HA 1 131 TRP HD1 . . 4.120 2.893 2.693 3.016 . 0 0 "[ . 1 . 2]" 1
814 1 131 TRP HD1 1 135 LEU QD . . 4.670 3.105 2.863 3.398 . 0 0 "[ . 1 . 2]" 1
815 1 131 TRP HZ2 1 135 LEU QD . . 3.420 2.846 2.017 3.549 0.129 6 0 "[ . 1 . 2]" 1
816 1 132 VAL HA 1 132 VAL MG1 . . 3.220 2.564 2.221 3.201 . 0 0 "[ . 1 . 2]" 1
817 1 132 VAL HA 1 132 VAL QG . . 2.800 2.132 2.037 2.330 . 0 0 "[ . 1 . 2]" 1
818 1 132 VAL HA 1 132 VAL MG2 . . 3.220 2.352 2.282 2.445 . 0 0 "[ . 1 . 2]" 1
819 1 132 VAL HA 1 135 LEU HB2 . . 4.490 3.719 3.239 3.928 . 0 0 "[ . 1 . 2]" 1
820 1 132 VAL HA 1 135 LEU QB . . 3.900 3.266 2.974 3.458 . 0 0 "[ . 1 . 2]" 1
821 1 132 VAL HA 1 135 LEU HB3 . . 4.490 3.643 3.342 3.953 . 0 0 "[ . 1 . 2]" 1
822 1 132 VAL HA 1 135 LEU QD . . 3.990 4.327 3.646 4.949 0.959 15 10 "[*** .-** * * +* 2]" 1
823 1 132 VAL QG 1 135 LEU QD . . 4.320 4.503 3.895 4.972 0.652 15 7 "[ * .**- 1 * +* 2]" 1
824 1 133 ILE HA 1 133 ILE MD . . 4.060 3.882 3.851 3.899 . 0 0 "[ . 1 . 2]" 1
825 1 133 ILE HA 1 133 ILE MG . . 3.110 2.275 2.248 2.328 . 0 0 "[ . 1 . 2]" 1
826 1 133 ILE HB 1 133 ILE MD . . 3.080 2.359 2.216 2.422 . 0 0 "[ . 1 . 2]" 1
827 1 133 ILE HB 1 133 ILE HG13 . . 2.710 2.496 2.447 2.553 . 0 0 "[ . 1 . 2]" 1
828 1 133 ILE HB 1 134 ALA MB . . 4.060 4.016 3.906 4.076 0.016 4 0 "[ . 1 . 2]" 1
829 1 133 ILE HG13 1 133 ILE MG . . 3.220 3.184 3.175 3.196 . 0 0 "[ . 1 . 2]" 1
830 1 133 ILE MG 1 134 ALA HA . . 3.960 3.960 3.796 4.083 0.123 16 0 "[ . 1 . 2]" 1
831 1 135 LEU HA 1 135 LEU QD . . 3.000 2.307 1.905 2.687 . 0 0 "[ . 1 . 2]" 1
832 1 135 LEU HA 1 135 LEU HG . . 3.910 3.100 2.474 3.694 . 0 0 "[ . 1 . 2]" 1
833 1 135 LEU HA 1 138 TYR HB2 . . 3.970 3.361 2.897 3.919 . 0 0 "[ . 1 . 2]" 1
834 1 135 LEU HA 1 138 TYR HB3 . . 3.970 2.621 2.386 2.960 . 0 0 "[ . 1 . 2]" 1
835 1 135 LEU HA 1 138 TYR QD . . 4.190 4.316 4.015 4.590 0.400 17 0 "[ . 1 . 2]" 1
836 1 135 LEU QB 1 135 LEU QD . . 2.540 1.889 1.773 1.992 . 0 0 "[ . 1 . 2]" 1
837 1 135 LEU QD 1 138 TYR QB . . 3.320 3.094 2.549 3.577 0.257 17 0 "[ . 1 . 2]" 1
838 1 135 LEU QD 1 138 TYR QD . . 3.580 3.455 2.863 4.092 0.512 12 1 "[ . 1 + . 2]" 1
839 1 135 LEU QD 1 138 TYR QE . . 4.170 4.561 4.035 5.024 0.854 12 9 "[- ** 1*+ . ****]" 1
840 1 135 LEU QD 1 139 ASP QB . . 4.650 3.690 2.827 4.523 . 0 0 "[ . 1 . 2]" 1
841 1 135 LEU HG 1 138 TYR QB . . 4.270 4.354 3.112 5.806 1.536 1 10 "[+** .*** - * ** 2]" 1
842 1 137 LYS HA 1 137 LYS HG2 . . 4.020 2.778 2.456 3.004 . 0 0 "[ . 1 . 2]" 1
843 1 137 LYS HA 1 137 LYS QG . . 3.330 2.687 2.362 2.900 . 0 0 "[ . 1 . 2]" 1
844 1 137 LYS HA 1 137 LYS HG3 . . 4.020 3.599 3.020 3.834 . 0 0 "[ . 1 . 2]" 1
845 1 137 LYS QB 1 138 TYR HA . . 3.980 3.912 3.826 4.051 0.071 10 0 "[ . 1 . 2]" 1
846 1 137 LYS QE 1 137 LYS HG2 . . 3.470 2.840 2.119 3.484 0.014 13 0 "[ . 1 . 2]" 1
847 1 137 LYS QE 1 137 LYS HG3 . . 3.470 2.448 1.972 3.315 . 0 0 "[ . 1 . 2]" 1
848 1 138 TYR HA 1 138 TYR QD . . 3.680 2.957 2.614 3.088 . 0 0 "[ . 1 . 2]" 1
849 1 138 TYR HA 1 138 TYR QE . . 4.960 4.725 4.562 4.808 . 0 0 "[ . 1 . 2]" 1
850 1 138 TYR HA 1 141 VAL QG . . 3.270 1.884 1.859 1.938 . 0 0 "[ . 1 . 2]" 1
851 1 138 TYR QD 1 141 VAL QG . . 4.800 3.266 2.947 3.423 . 0 0 "[ . 1 . 2]" 1
852 1 138 TYR QE 1 142 ILE MD . . 3.110 3.366 2.540 3.867 0.757 3 3 "[ + - 1 .* 2]" 1
853 1 138 TYR QE 1 142 ILE MG . . 4.260 4.378 3.925 4.451 0.191 10 0 "[ . 1 . 2]" 1
854 1 139 ASP HA 1 142 ILE MG . . 3.410 2.008 1.897 2.464 . 0 0 "[ . 1 . 2]" 1
855 1 139 ASP QB 1 142 ILE MG . . 4.270 3.642 3.504 3.870 . 0 0 "[ . 1 . 2]" 1
856 1 141 VAL HA 1 141 VAL MG1 . . 3.220 2.319 2.193 2.420 . 0 0 "[ . 1 . 2]" 1
857 1 141 VAL HA 1 141 VAL QG . . 2.660 2.266 2.158 2.352 . 0 0 "[ . 1 . 2]" 1
858 1 141 VAL HA 1 141 VAL MG2 . . 3.220 3.202 3.201 3.203 . 0 0 "[ . 1 . 2]" 1
859 1 141 VAL HA 1 144 GLU QG . . 3.770 3.387 2.349 3.955 0.185 10 0 "[ . 1 . 2]" 1
860 1 141 VAL QG 1 144 GLU QG . . 4.240 4.359 3.553 4.876 0.636 10 1 "[ . + . 2]" 1
861 1 142 ILE HA 1 142 ILE MD . . 3.060 2.110 2.001 2.243 . 0 0 "[ . 1 . 2]" 1
862 1 142 ILE HA 1 142 ILE QG . . 3.900 2.751 2.425 2.884 . 0 0 "[ . 1 . 2]" 1
863 1 142 ILE HA 1 142 ILE MG . . 3.300 3.182 3.133 3.201 . 0 0 "[ . 1 . 2]" 1
864 1 142 ILE HA 1 145 VAL HB . . 3.820 2.088 1.966 2.205 . 0 0 "[ . 1 . 2]" 1
865 1 142 ILE HA 1 145 VAL QG . . 3.180 1.920 1.873 1.944 . 0 0 "[ . 1 . 2]" 1
866 1 142 ILE HB 1 142 ILE MD . . 2.830 2.353 2.235 3.222 0.392 3 0 "[ . 1 . 2]" 1
867 1 142 ILE QG 1 142 ILE MG . . 2.800 2.097 2.082 2.265 . 0 0 "[ . 1 . 2]" 1
868 1 142 ILE QG 1 145 VAL QG . . 4.120 3.874 3.186 4.055 . 0 0 "[ . 1 . 2]" 1
869 1 142 ILE MG 1 143 LYS HA . . 4.300 3.209 2.901 3.292 . 0 0 "[ . 1 . 2]" 1
870 1 142 ILE MG 1 143 LYS QG . . 3.100 2.612 2.180 3.764 0.664 14 2 "[ - . 1 +. 2]" 1
871 1 143 LYS HA 1 143 LYS QD . . 4.070 3.138 1.997 4.331 0.261 3 0 "[ . 1 . 2]" 1
872 1 143 LYS HA 1 143 LYS QG . . 2.940 2.702 2.147 3.343 0.403 14 0 "[ . 1 . 2]" 1
873 1 144 GLU QB 1 144 GLU QG . . 2.420 2.082 2.069 2.087 . 0 0 "[ . 1 . 2]" 1
874 1 145 VAL HA 1 145 VAL QG . . 2.590 1.980 1.922 2.028 . 0 0 "[ . 1 . 2]" 1
875 1 145 VAL HA 1 146 GLU QB . . 5.140 5.054 4.788 5.245 0.105 6 0 "[ . 1 . 2]" 1
876 1 145 VAL QG 1 146 GLU HA . . 3.750 3.473 3.308 3.627 . 0 0 "[ . 1 . 2]" 1
877 1 145 VAL QG 1 146 GLU QB . . 3.780 2.537 2.015 2.849 . 0 0 "[ . 1 . 2]" 1
878 1 145 VAL QG 1 146 GLU QG . . 4.130 2.084 1.914 2.393 . 0 0 "[ . 1 . 2]" 1
879 1 145 VAL QG 1 147 PRO QD . . 4.780 3.937 3.759 4.073 . 0 0 "[ . 1 . 2]" 1
880 1 146 GLU HA 1 146 GLU QG . . 3.360 2.815 2.111 3.369 0.009 18 0 "[ . 1 . 2]" 1
881 1 146 GLU HA 1 147 PRO QB . . 5.200 4.848 4.800 4.877 . 0 0 "[ . 1 . 2]" 1
882 1 146 GLU HA 1 147 PRO HD2 . . 3.090 2.130 2.063 2.173 . 0 0 "[ . 1 . 2]" 1
883 1 146 GLU HA 1 147 PRO HD3 . . 3.090 2.984 2.890 3.040 . 0 0 "[ . 1 . 2]" 1
884 1 146 GLU QB 1 146 GLU QG . . 2.220 2.047 1.996 2.086 . 0 0 "[ . 1 . 2]" 1
885 1 146 GLU QB 1 147 PRO HA . . 5.070 4.750 4.606 4.919 . 0 0 "[ . 1 . 2]" 1
886 1 146 GLU HB2 1 146 GLU QG . . 2.630 2.376 2.148 2.522 . 0 0 "[ . 1 . 2]" 1
887 1 146 GLU HB3 1 146 GLU QG . . 2.630 2.282 2.142 2.473 . 0 0 "[ . 1 . 2]" 1
888 1 146 GLU QG 1 147 PRO QD . . 4.470 3.989 3.703 4.384 . 0 0 "[ . 1 . 2]" 1
889 1 147 PRO QB 1 152 LEU QD . . 3.030 7.562 1.938 11.814 8.784 14 17 "[**-** *******+* ***2]" 1
890 1 147 PRO QD 1 152 LEU QD . . 5.110 7.997 3.465 11.862 6.752 14 14 "[-* ** *******+. ** 2]" 1
891 1 147 PRO QG 1 152 LEU QD . . 4.170 7.219 2.219 11.601 7.431 11 15 "[** ** ****+***- ** 2]" 1
892 1 148 LYS HA 1 148 LYS QB . . 2.650 2.301 2.167 2.343 . 0 0 "[ . 1 . 2]" 1
893 1 148 LYS HA 1 148 LYS QG . . 3.490 2.775 2.516 3.392 . 0 0 "[ . 1 . 2]" 1
894 1 149 ARG QB 1 149 ARG QD . . 2.590 2.172 1.928 2.702 0.112 10 0 "[ . 1 . 2]" 1
895 1 149 ARG QB 1 149 ARG QG . . 2.360 2.048 2.008 2.087 . 0 0 "[ . 1 . 2]" 1
896 1 149 ARG HB2 1 149 ARG QG . . 2.770 2.268 2.140 2.507 . 0 0 "[ . 1 . 2]" 1
897 1 149 ARG HB3 1 149 ARG QG . . 2.770 2.377 2.133 2.501 . 0 0 "[ . 1 . 2]" 1
898 1 150 GLN HA 1 150 GLN QG . . 3.330 2.872 2.238 3.468 0.138 14 0 "[ . 1 . 2]" 1
899 1 150 GLN QB 1 150 GLN QG . . 2.310 2.055 1.977 2.086 . 0 0 "[ . 1 . 2]" 1
900 1 151 LYS HA 1 151 LYS QG . . 3.520 2.814 2.176 3.441 . 0 0 "[ . 1 . 2]" 1
901 1 151 LYS QE 1 152 LEU HG . . 5.030 7.735 5.690 9.517 4.487 9 20 [******-*+***********] 1
902 1 151 LYS QG 1 152 LEU QB . . 4.850 4.721 3.972 4.943 0.093 14 0 "[ . 1 . 2]" 1
903 1 151 LYS QG 1 152 LEU QD . . 2.890 4.485 2.613 5.434 2.544 14 17 "[- ******1***+******]" 1
904 1 152 LEU HA 1 152 LEU QD . . 3.760 2.425 1.919 3.357 . 0 0 "[ . 1 . 2]" 1
905 1 152 LEU QB 1 152 LEU QD . . 2.820 1.889 1.733 1.999 . 0 0 "[ . 1 . 2]" 1
906 1 154 GLU QB 1 154 GLU QG . . 2.420 2.052 1.987 2.086 . 0 0 "[ . 1 . 2]" 1
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